| 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 | 75.1 | Confident | 89.3 | Confident | 73 Ų | 73 | 70.2 Ų | 70.2 | 36% | 0.36 | 38% | 0.383 | S | S | . | . | 0 | 120.5 | 0 | 176.5 | 179.3 | -83.1 | 0 | 0 | 107.1 | W3 L365 V407 M432 | M1-W3 HydrophobicContact SD-CD2 4.48Å; M1-W3 HydrophobicContact SD-CH2 3.96Å; M1-W3 HydrophobicContact SD-CZ2 3.45Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.3Å; M1-L365 HydrophobicContact CE-CD2 4.43Å; M1-V407 HydrophobicContact CE-CG1 3.85Å; M1-V407 HydrophobicContact CE-CG2 3.75Å; M1-V407 HydrophobicContact SD-CG2 3.99Å; M1-M432 HydrophobicContact CE-CE 4.06Å; M1-M432 HydrophobicContact CE-CG 3.55Å; M1-M432 HydrophobicContact CE-SD 3.41Å; M1-M432 WeakPolarHBondContact CE-SD 3.39Å | |||
| 2 | E | 81.3 | Confident | 89.4 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | trans | -77.9 | 151.8 | 168.8 | -166.5 | 177.2 | 166.7 | 0 | 0 | 109.3 | H4 G434 | E2-H4 VanDerWaalsContact CD-CE1 3.4Å; E2-H4 IonicContact OE1-CE1 3.84Å; E2-H4 PolarHBondContact OE1-CE1 2.58Å; E2-H4 IonicContact OE1-ND1 3.31Å; E2-H4 IonicContact OE2-CE1 3.81Å; E2-G434 PolarHBondContact O-N 3.15Å | ||
| 3 | W | 90.6 | Very high | 89.7 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.3 | 178.2 | -72.2 | 98.9 | 0 | 0 | 0 | 109.6 | M1 W396 K405 V407 G434 I436 | M1-W3 HydrophobicContact SD-CD2 4.48Å; M1-W3 HydrophobicContact SD-CH2 3.96Å; M1-W3 HydrophobicContact SD-CZ2 3.45Å; M1-W3 WeakPolarHBondContact SD-CZ2 3.3Å; W3-W396 AromaticContact CH2-CH2 3.71Å; W3-W396 HydrophobicContact CH2-CH2 3.71Å; W3-W396 AromaticContact CH2-CZ2 3.83Å; W3-W396 HydrophobicContact CH2-CZ2 3.83Å; W3-W396 HydrophobicContact CZ2-CZ2 4.46Å; W3-K405 HydrophobicContact CH2-CB 4Å; W3-K405 HydrophobicContact CH2-CD 3.7Å; W3-K405 HydrophobicContact CH2-CG 3.98Å; W3-K405 HydrophobicContact CZ2-CD 4.24Å; W3-K405 HydrophobicContact CZ3-CB 3.88Å; W3-K405 HydrophobicContact CZ3-CD 4.09Å; W3-K405 HydrophobicContact CZ3-CG 3.85Å; W3-V407 HydrophobicContact CH2-CG2 3.98Å; W3-V407 HydrophobicContact CZ3-CG2 4.29Å; W3-G434 WeakPolarHBondContact CA-O 3.35Å; W3-G434 VanDerWaalsContact CE3-C 3.5Å; W3-I436 HydrophobicContact CB-CD1 4.22Å; W3-I436 HydrophobicContact CE3-CG1 3.91Å |
| 4 | H | 92.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 68.9 Ų | 68.9 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 136.1 | 173.3 | -48.7 | -57.3 | 0 | 0 | 0 | 109.9 | E2 S433 G434 Y435 I436 N469 | E2-H4 VanDerWaalsContact CD-CE1 3.4Å; E2-H4 IonicContact OE1-CE1 3.84Å; E2-H4 PolarHBondContact OE1-CE1 2.58Å; E2-H4 IonicContact OE1-ND1 3.31Å; E2-H4 IonicContact OE2-CE1 3.81Å; H4-S433 PolarHBondContact CD2-OG 3.12Å; H4-S433 VanDerWaalsContact CD2-OG 3.25Å; H4-S433 PolarHBondContact NE2-OG 2.81Å; H4-S433 VanDerWaalsContact NE2-OG 3.13Å; H4-G434 PolarHBondContact N-O 2.81Å; H4-Y435 HydrophobicContact CB-CD1 4.11Å; H4-Y435 HydrophobicContact CB-CE1 4.29Å; H4-Y435 AromaticContact CD2-CE1 3.74Å; H4-Y435 CarbonylContact O-C 3.38Å; H4-Y435 VanDerWaalsContact O-CA 3.29Å; H4-Y435 WeakPolarHBondContact O-CA 3.23Å; H4-I436 PolarHBondContact O-N 3.04Å; H4-N469 WeakPolarHBondContact NE2-CB 3.18Å |
| 5 | E | 92.1 | Very high | 90.3 | Very high | 99 Ų | 99 | 69.5 Ų | 69.5 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 136.1 | 171 | -172.9 | 135.4 | -173.2 | 0 | 0 | 110 | K403 I436 S438 | E5-K403 IonicContact OE1-NZ 2.68Å; E5-K403 IonicContact OE2-NZ 3.1Å; E5-K403 PolarHBondContact OE2-NZ 2.97Å; E5-I436 HydrophobicContact CG-CG2 4.29Å; E5-S438 WeakPolarHBondContact CG-OG 3.36Å; E5-S438 PolarHBondContact OE1-OG 2.94Å |
| 6 | V | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 109.7 | -175.6 | -164.1 | 0 | 0 | 0 | 0 | 108.5 | Y435 I436 L437 S438 Y486 Q488 | V6-Y435 HydrophobicContact CG2-CD1 3.81Å; V6-Y435 HydrophobicContact CG2-CG 4.34Å; V6-I436 PolarHBondContact N-O 2.96Å; V6-L437 HydrophobicContact CB-CD2 3.94Å; V6-L437 HydrophobicContact CG1-CD2 4.42Å; V6-L437 HydrophobicContact CG2-CD2 3.92Å; V6-S438 WeakPolarHBondContact O-CB 3.32Å; V6-S438 PolarHBondContact O-N 2.86Å; V6-S438 PolarHBondContact O-OG 3.03Å; V6-Y486 HydrophobicContact CB-CD1 4.4Å; V6-Y486 HydrophobicContact CG1-CD1 4.21Å; V6-Y486 HydrophobicContact CG1-CG 4.49Å; V6-Y486 WeakPolarHBondContact O-CD1 3.46Å; V6-Q488 HydrophobicContact CG1-CB 4.15Å; V6-Q488 VanDerWaalsContact CG2-OE1 3.24Å |
| 7 | E | 91.9 | Very high | 90.5 | Very high | 162 Ų | 162 | 64.6 Ų | 64.6 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | trans | -68.8 | 150.7 | -176.9 | -64.2 | -169 | 177.4 | 0 | 0 | 112.3 | Y486 | E7-Y486 WeakPolarHBondContact O-CD1 3.48Š| ||
| 8 | L | 92.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 68.2 Ų | 68.2 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -80.9 | 120.8 | -179.7 | -179.2 | 75.5 | 0 | 0 | 0 | 110.7 | G10 T13 R484 Y486 | L8-G10 PolarHBondContact O-N 2.82Å; L8-T13 WeakPolarHBondContact CD1-OG1 3.42Å; L8-R484 HydrophobicContact CD1-CB 3.58Å; L8-R484 HydrophobicContact CD1-CG 4.11Å; L8-R484 VanDerWaalsContact CD2-NH1 3.26Å; L8-Y486 HydrophobicContact CB-CE1 4.06Å; L8-Y486 HydrophobicContact CD1-CD1 4.44Å; L8-Y486 HydrophobicContact CD1-CE1 3.79Å; L8-Y486 HydrophobicContact CD1-CE2 4.17Å |
| 9 | D | 92.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 76.5 Ų | 76.5 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | trans | -71.7 | 99.7 | 169 | -176.1 | -14.8 | 0 | 0 | 0 | 109.5 | S11 R12 T13 Y485 | D9-S11 PolarHBondContact O-N 3.16Å; D9-S11 WeakPolarHBondContact OD1-CA 3.45Å; D9-S11 VanDerWaalsContact OD1-CB 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.41Å; D9-S11 PolarHBondContact OD1-N 3.3Å; D9-S11 PolarHBondContact OD1-OG 3.23Å; D9-R12 HydrophobicContact CB-CB 4.46Å; D9-R12 PolarHBondContact OD1-N 3.14Å; D9-R12 VanDerWaalsContact OD1-N 3.12Å; D9-R12 WeakPolarHBondContact OD2-CD 3.34Å; D9-R12 WeakPolarHBondContact OD2-CG 3.47Å; D9-R12 IonicContact OD2-CZ 3.41Å; D9-R12 IonicContact OD2-NE 3.01Å; D9-R12 PolarHBondContact OD2-NE 2.73Å; D9-T13 WeakPolarHBondContact O-CB 3.35Å; D9-T13 PolarHBondContact O-N 3.27Å; D9-T13 PolarHBondContact O-OG1 2.74Å; D9-Y485 HydrophobicContact CB-CD1 3.84Å; D9-Y485 PolarHBondContact N-O 2.67Å | ||
| 10 | G | 88.3 | Confident | 89.7 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 66% | 0.66 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -17.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L8 | L8-G10 PolarHBondContact O-N 2.82Š|
| 11 | S | 92 | Very high | 89.7 | Confident | 106 Ų | 106 | 72 Ų | 72 | 74% | 0.741 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -30.8 | 179.4 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | D9 | D9-S11 PolarHBondContact O-N 3.16Å; D9-S11 WeakPolarHBondContact OD1-CA 3.45Å; D9-S11 VanDerWaalsContact OD1-CB 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.41Å; D9-S11 PolarHBondContact OD1-N 3.3Å; D9-S11 PolarHBondContact OD1-OG 3.23Å |
| 12 | R | 91.2 | Very high | 90.2 | Very high | 125 Ų | 125 | 68.7 Ų | 68.7 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -5 | 177.6 | -60.5 | 179.1 | -159.8 | -175.9 | 6.4 | 113.9 | D9 D474 Y485 | D9-R12 HydrophobicContact CB-CB 4.46Å; D9-R12 PolarHBondContact OD1-N 3.14Å; D9-R12 VanDerWaalsContact OD1-N 3.12Å; D9-R12 WeakPolarHBondContact OD2-CD 3.34Å; D9-R12 WeakPolarHBondContact OD2-CG 3.47Å; D9-R12 IonicContact OD2-CZ 3.41Å; D9-R12 IonicContact OD2-NE 3.01Å; D9-R12 PolarHBondContact OD2-NE 2.73Å; R12-D474 IonicContact NH1-OD1 3.69Å; R12-Y485 HydrophobicContact CB-CD1 3.88Å; R12-Y485 HydrophobicContact CB-CD2 3.74Å; R12-Y485 HydrophobicContact CB-CE1 4.4Å; R12-Y485 HydrophobicContact CB-CE2 4.23Å; R12-Y485 HydrophobicContact CB-CG 3.52Å; R12-Y485 PolarHBondContact NH1-OH 3.07Å |
| 13 | T | 93.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 22% | 0.221 | 34% | 0.344 | C | S | . | . | trans | -71.7 | 133.4 | 171 | -74.4 | 0 | 0 | 0 | 0 | 110.5 | L8 D9 K483 Y485 | L8-T13 WeakPolarHBondContact CD1-OG1 3.42Å; D9-T13 WeakPolarHBondContact O-CB 3.35Å; D9-T13 PolarHBondContact O-N 3.27Å; D9-T13 PolarHBondContact O-OG1 2.74Å; T13-K483 WeakPolarHBondContact CA-O 3.21Å; T13-Y485 PolarHBondContact OG1-N 2.87Å | ||
| 14 | I | 94.5 | Very high | 89.6 | Confident | 32 Ų | 32 | 66.2 Ų | 66.2 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.2 | -169.7 | -71 | 160 | 0 | 0 | 0 | 108.9 | M65 S66 G482 K483 | I14-M65 WeakPolarHBondContact CD1-O 3.41Å; I14-S66 WeakPolarHBondContact CD1-O 3.48Å; I14-G482 CarbonylContact O-C 3.5Å; I14-G482 VanDerWaalsContact O-CA 3.26Å; I14-G482 WeakPolarHBondContact O-CA 3.45Å; I14-K483 HydrophobicContact CB-CB 4.45Å; I14-K483 HydrophobicContact CD1-CD 4.24Å; I14-K483 PolarHBondContact N-O 2.89Å; I14-K483 PolarHBondContact O-N 3.06Å |
| 15 | A | 93.1 | Very high | 88.5 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 148.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 16 | F | 93.2 | Very high | 87.4 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.035 | 39% | 0.388 | C | S | . | . | trans | -87.1 | 160.7 | 166.4 | -62.7 | -27 | 0 | 0 | 0 | 110.9 | E18 V21 V50 C63 L478 T481 G482 | F16-E18 PolarHBondContact O-N 2.75Å; F16-V21 HydrophobicContact CB-CG2 4.25Å; F16-V50 HydrophobicContact CD2-CG2 4.5Å; F16-V50 HydrophobicContact CE2-CG2 4.02Å; F16-C63 HydrophobicContact CD1-CB 3.47Å; F16-C63 VanDerWaalsContact CD1-CB 3.47Å; F16-C63 HydrophobicContact CD2-CB 4.45Å; F16-C63 HydrophobicContact CE1-CB 3.34Å; F16-C63 HydrophobicContact CE2-CB 4.35Å; F16-C63 HydrophobicContact CG-CB 4.06Å; F16-C63 HydrophobicContact CZ-CB 3.82Å; F16-L478 HydrophobicContact CE2-CD1 3.68Å; F16-L478 HydrophobicContact CZ-CD1 3.58Å; F16-T481 PolarHBondContact N-O 2.76Å; F16-G482 VanDerWaalsContact CD2-CA 3.47Å; F16-G482 VanDerWaalsContact CD2-N 3.29Å | ||
| 17 | P | 90.5 | Very high | 85.6 | Confident | 47 Ų | 47 | 80 Ų | 80 | 31% | 0.305 | 43% | 0.428 | S | S | . | . | trans | -69.2 | 102 | -177.6 | -17.1 | 32.3 | 0 | 0 | 0 | 110.6 | R19 I20 G68 | P17-R19 VanDerWaalsContact C-N 3.33Å; P17-R19 PolarHBondContact O-N 3.06Å; P17-I20 HydrophobicContact CB-CB 4.43Å; P17-I20 HydrophobicContact CB-CD1 3.87Å; P17-I20 HydrophobicContact CB-CG1 4.08Å; P17-I20 HydrophobicContact CG-CD1 4.31Å; P17-I20 WeakPolarHBondContact O-CB 3.31Å; P17-I20 PolarHBondContact O-N 3.02Å; P17-G68 WeakPolarHBondContact CD-O 3.46Å | ||
| 18 | E | 85.4 | Confident | 83.7 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 60% | 0.603 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -34.6 | -56.9 | -172.8 | -78.4 | -173.6 | 168.5 | 0 | 0 | 114.9 | F16 I20 V21 F24 | F16-E18 PolarHBondContact O-N 2.75Å; E18-I20 PolarHBondContact O-N 3.15Å; E18-I20 VanDerWaalsContact O-N 3.09Å; E18-V21 WeakPolarHBondContact O-CB 3.3Å; E18-V21 PolarHBondContact O-N 2.69Å; E18-V21 VanDerWaalsContact O-N 3.11Å; E18-F24 HydrophobicContact CB-CD2 4.02Å; E18-F24 HydrophobicContact CB-CE1 4.41Å; E18-F24 HydrophobicContact CB-CE2 3.55Å; E18-F24 HydrophobicContact CB-CZ 3.76Å; E18-F24 HydrophobicContact CG-CE2 3.88Å; E18-F24 HydrophobicContact CG-CZ 4.3Å; E18-F24 VanDerWaalsContact O-CB 3.29Å; E18-F24 WeakPolarHBondContact O-CB 3.44Å; E18-F24 VanDerWaalsContact O-CD2 3.31Å; E18-F24 WeakPolarHBondContact O-CD2 3.5Å; E18-F24 WeakPolarHBondContact O-CG 3.19Å |
| 19 | R | 85.5 | Confident | 81.7 | Confident | 227 Ų | 227 | 76.8 Ų | 76.8 | 86% | 0.857 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -67.3 | -10.8 | -174.8 | -60.1 | -176.9 | -176.2 | -178.8 | 1.2 | 115.1 | P17 F24 | P17-R19 VanDerWaalsContact C-N 3.33Å; P17-R19 PolarHBondContact O-N 3.06Å; R19-F24 HydrophobicContact CG-CE1 4.29Å |
| 20 | I | 86 | Confident | 79.4 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 25% | 0.246 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -99 | -18.4 | 180 | -49.9 | -175.2 | 0 | 0 | 0 | 110.5 | P17 E18 L61 Y70 W73 | P17-I20 HydrophobicContact CB-CB 4.43Å; P17-I20 HydrophobicContact CB-CD1 3.87Å; P17-I20 HydrophobicContact CB-CG1 4.08Å; P17-I20 HydrophobicContact CG-CD1 4.31Å; P17-I20 WeakPolarHBondContact O-CB 3.31Å; P17-I20 PolarHBondContact O-N 3.02Å; E18-I20 PolarHBondContact O-N 3.15Å; E18-I20 VanDerWaalsContact O-N 3.09Å; I20-L61 HydrophobicContact CG2-CD1 3.83Å; I20-L61 HydrophobicContact CG2-CD2 4.48Å; I20-Y70 HydrophobicContact CD1-CD1 3.66Å; I20-Y70 HydrophobicContact CD1-CE1 4.03Å; I20-Y70 HydrophobicContact CD1-CG 4.06Å; I20-W73 HydrophobicContact CG2-CB 4.46Å; I20-W73 HydrophobicContact CG2-CG 4.05Å; I20-W73 PolarHBondContact O-NE1 3.42Å |
| 21 | V | 88 | Confident | 77.1 | Confident | 10 Ų | 10 | 85.8 Ų | 85.8 | 6% | 0.061 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -63.5 | 125.3 | 176.6 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | F16 E18 G23 F24 L61 P480 | F16-V21 HydrophobicContact CB-CG2 4.25Å; E18-V21 WeakPolarHBondContact O-CB 3.3Å; E18-V21 PolarHBondContact O-N 2.69Å; E18-V21 VanDerWaalsContact O-N 3.11Å; V21-G23 PolarHBondContact O-N 2.9Å; V21-F24 HydrophobicContact CB-CB 4.49Å; V21-F24 VanDerWaalsContact O-CB 3.31Å; V21-F24 WeakPolarHBondContact O-CB 3.33Å; V21-F24 PolarHBondContact O-N 3Å; V21-F24 VanDerWaalsContact O-N 3.12Å; V21-L61 HydrophobicContact CG2-CD2 4.22Å; V21-P480 WeakPolarHBondContact CG1-O 3.35Å |
| 22 | P | 86 | Confident | 74.7 | Confident | 4 Ų | 4 | 84.4 Ų | 84.4 | 3% | 0.026 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 132.7 | 176.4 | -27.6 | 36.3 | 0 | 0 | 0 | 111.6 | F24 Y37 W52 T59 L61 | P22-F24 VanDerWaalsContact C-N 3.33Å; P22-F24 PolarHBondContact O-N 3.26Å; P22-Y37 WeakPolarHBondContact O-CE1 3.43Å; P22-Y37 PolarHBondContact O-OH 3.23Å; P22-W52 HydrophobicContact CB-CB 3.78Å; P22-T59 HydrophobicContact CG-CG2 4.04Å; P22-T59 VanDerWaalsContact CG-O 3.31Å; P22-T59 WeakPolarHBondContact CG-O 3.47Å; P22-L61 HydrophobicContact CG-CB 4.4Å |
| 23 | G | 80.3 | Confident | 72.7 | Confident | 12 Ų | 12 | 85 Ų | 85 | 12% | 0.124 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | 3.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | V21 G25 R26 | V21-G23 PolarHBondContact O-N 2.9Å; G23-G25 PolarHBondContact O-N 3.39Å; G23-R26 PolarHBondContact O-N 3.37Å |
| 24 | F | 80.1 | Confident | 70.7 | Confident | 105 Ų | 105 | 87 Ų | 87 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 139 | 179.2 | -178.4 | -100.7 | 0 | 0 | 0 | 113.3 | E18 R19 V21 P22 R26 | E18-F24 HydrophobicContact CB-CD2 4.02Å; E18-F24 HydrophobicContact CB-CE1 4.41Å; E18-F24 HydrophobicContact CB-CE2 3.55Å; E18-F24 HydrophobicContact CB-CZ 3.76Å; E18-F24 HydrophobicContact CG-CE2 3.88Å; E18-F24 HydrophobicContact CG-CZ 4.3Å; E18-F24 VanDerWaalsContact O-CB 3.29Å; E18-F24 WeakPolarHBondContact O-CB 3.44Å; E18-F24 VanDerWaalsContact O-CD2 3.31Å; E18-F24 WeakPolarHBondContact O-CD2 3.5Å; E18-F24 WeakPolarHBondContact O-CG 3.19Å; R19-F24 HydrophobicContact CG-CE1 4.29Å; V21-F24 HydrophobicContact CB-CB 4.49Å; V21-F24 VanDerWaalsContact O-CB 3.31Å; V21-F24 WeakPolarHBondContact O-CB 3.33Å; V21-F24 PolarHBondContact O-N 3Å; V21-F24 VanDerWaalsContact O-N 3.12Å; P22-F24 VanDerWaalsContact C-N 3.33Å; P22-F24 PolarHBondContact O-N 3.26Å; F24-R26 VanDerWaalsContact C-N 3.28Å; F24-R26 PolarHBondContact O-N 3.08Å |
| 25 | G | 69.1 | Low | 68.9 | Low | 72 Ų | 72 | 86.8 Ų | 86.8 | 74% | 0.742 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 1.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G23 | G23-G25 PolarHBondContact O-N 3.39Š|
| 26 | R | 68.5 | Low | 68.3 | Low | 144 Ų | 144 | 85.8 Ų | 85.8 | 54% | 0.543 | 47% | 0.468 | S | S | . | . | trans | -103.2 | 123.7 | 168.3 | -66.4 | -173.9 | -176.4 | 169.3 | 9 | 110.8 | G23 F24 S56 | G23-R26 PolarHBondContact O-N 3.37Å; F24-R26 VanDerWaalsContact C-N 3.28Å; F24-R26 PolarHBondContact O-N 3.08Å; R26-S56 VanDerWaalsContact CZ-OG 3.28Å; R26-S56 PolarHBondContact NH1-OG 3.15Å; R26-S56 PolarHBondContact NH2-OG 3.3Å | ||
| 27 | E | 54.4 | Low | 68.2 | Low | 182 Ų | 182 | 88 Ų | 88 | 85% | 0.85 | 48% | 0.476 | S | S | * | . | trans | -66.9 | 141.1 | 164.7 | -67.4 | -170.2 | 143.9 | 0 | 0 | 110 | S29 | E27-S29 PolarHBondContact O-N 3.04Å; E27-S29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | P | 54 | Low | 68.3 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | trans | -63.1 | 115.2 | 166.8 | 26.8 | -31.9 | 0 | 0 | 0 | 108.7 | A30 A35 | P28-A30 PolarHBondContact O-N 2.87Å; P28-A35 HydrophobicContact CB-CB 4.14Å | ||
| 29 | S | 48.8 | Very low | 68.7 | Low | 68 Ų | 68 | 82.4 Ų | 82.4 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | trans | -55.8 | 124.9 | -178.8 | 54.5 | 0 | 0 | 0 | 0 | 111 | E27 H31 L32 | E27-S29 PolarHBondContact O-N 3.04Å; E27-S29 VanDerWaalsContact O-N 3.14Å; S29-H31 PolarHBondContact O-N 3.41Å; S29-L32 PolarHBondContact O-N 2.96Å | ||
| 30 | A | 44.6 | Very low | 69.2 | Low | 99 Ų | 99 | 72.1 Ų | 72.1 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 11.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | P28 | P28-A30 PolarHBondContact O-N 2.87Š|
| 31 | H | 40.1 | Very low | 69.6 | Low | 189 Ų | 189 | 71.8 Ų | 71.8 | 88% | 0.875 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.1 | 7.1 | 176.9 | -62.8 | -38.3 | 0 | 0 | 0 | 113.6 | S29 | S29-H31 PolarHBondContact O-N 3.41Š|
| 32 | L | 42.1 | Very low | 69.9 | Low | 78 Ų | 78 | 71.6 Ų | 71.6 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -124.1 | 134.4 | 170.1 | -82.6 | 160 | 0 | 0 | 0 | 108.8 | S29 A34 | S29-L32 PolarHBondContact O-N 2.96Å; L32-A34 PolarHBondContact O-N 3.36Å |
| 33 | D | 48.5 | Very low | 70.2 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -52 | 138.7 | 174.8 | -76.2 | -54.6 | 0 | 0 | 0 | 110.9 | R119 | D33-R119 PolarHBondContact O-NH2 3.02Š|
| 34 | A | 51.8 | Low | 70.6 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -41.7 | 144.7 | -159.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L32 E36 | L32-A34 PolarHBondContact O-N 3.36Å; A34-E36 PolarHBondContact O-N 2.94Å |
| 35 | A | 57.4 | Low | 71.1 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 24% | 0.24 | 42% | 0.422 | C | S | . | . | trans | -39.8 | 110.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P28 Y37 | P28-A35 HydrophobicContact CB-CB 4.14Å; A35-Y37 VanDerWaalsContact C-N 3.25Å; A35-Y37 HydrophobicContact CB-CD2 4.02Å; A35-Y37 HydrophobicContact CB-CE2 3.67Å; A35-Y37 VanDerWaalsContact O-CD2 3.29Å; A35-Y37 WeakPolarHBondContact O-CD2 3.18Å; A35-Y37 PolarHBondContact O-N 3.08Å | ||
| 36 | E | 80.3 | Confident | 72.2 | Confident | 57 Ų | 57 | 73.9 Ų | 73.9 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | trans | -79.3 | 75.9 | -168.8 | -167.8 | -178.4 | 153.2 | 0 | 0 | 109.5 | A34 R53 Y54 | A34-E36 PolarHBondContact O-N 2.94Å; E36-R53 HydrophobicContact CB-CB 4.22Å; E36-R53 HydrophobicContact CG-CB 4.27Å; E36-R53 WeakPolarHBondContact O-CA 3.46Å; E36-R53 WeakPolarHBondContact O-CB 3.38Å; E36-R53 PolarHBondContact O-N 2.75Å; E36-R53 WeakPolarHBondContact OE1-CD 3.29Å; E36-R53 IonicContact OE1-CZ 3.77Å; E36-R53 IonicContact OE1-NE 2.89Å; E36-R53 IonicContact OE1-NH1 2.75Å; E36-R53 PolarHBondContact OE1-NH1 3.25Å; E36-Y54 VanDerWaalsContact OE2-CE2 3.28Å; E36-Y54 WeakPolarHBondContact OE2-CE2 3.4Å | ||
| 37 | Y | 90.8 | Very high | 73.5 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 21% | 0.208 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 135 | 171.7 | -73.3 | -82.4 | 0 | 0 | 0 | 110 | P22 A35 V50 T51 W52 P480 | P22-Y37 WeakPolarHBondContact O-CE1 3.43Å; P22-Y37 PolarHBondContact O-OH 3.23Å; A35-Y37 VanDerWaalsContact C-N 3.25Å; A35-Y37 HydrophobicContact CB-CD2 4.02Å; A35-Y37 HydrophobicContact CB-CE2 3.67Å; A35-Y37 VanDerWaalsContact O-CD2 3.29Å; A35-Y37 WeakPolarHBondContact O-CD2 3.18Å; A35-Y37 PolarHBondContact O-N 3.08Å; Y37-V50 HydrophobicContact CD1-CG1 4.03Å; Y37-T51 WeakPolarHBondContact CA-O 3.49Å; Y37-W52 HydrophobicContact CD1-CB 4.17Å; Y37-W52 HydrophobicContact CE1-CB 3.91Å; Y37-W52 HydrophobicContact CE1-CG 4.21Å; Y37-P480 HydrophobicContact CD1-CB 3.79Å; Y37-P480 HydrophobicContact CD1-CG 4.07Å; Y37-P480 HydrophobicContact CD2-CB 3.97Å; Y37-P480 HydrophobicContact CD2-CG 3.61Å; Y37-P480 HydrophobicContact CE1-CB 3.91Å; Y37-P480 HydrophobicContact CE2-CB 4.1Å; Y37-P480 HydrophobicContact CE2-CG 4.15Å; Y37-P480 HydrophobicContact CG-CB 3.82Å; Y37-P480 HydrophobicContact CG-CG 3.56Å |
| 38 | L | 92.6 | Very high | 75.5 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 146.9 | 165.5 | -60.1 | 177.9 | 0 | 0 | 0 | 108.5 | W49 V50 T51 R53 | L38-W49 HydrophobicContact CB-CH2 4.33Å; L38-W49 HydrophobicContact CB-CZ3 4.16Å; L38-V50 WeakPolarHBondContact O-CA 3.23Å; L38-T51 HydrophobicContact CB-CG2 3.79Å; L38-T51 PolarHBondContact N-O 3.44Å; L38-T51 PolarHBondContact O-N 3.35Å; L38-R53 HydrophobicContact CD1-CB 4.43Å; L38-R53 HydrophobicContact CD1-CG 4.33Å; L38-R53 HydrophobicContact CG-CB 4.4Å |
| 39 | G | 94.3 | Very high | 77.5 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 172.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | W49 | G39-W49 VanDerWaalsContact C-CZ2 3.46Å; G39-W49 CarbonylContact C-O 3.52Å; G39-W49 VanDerWaalsContact CA-CZ3 3.5Å; G39-W49 WeakPolarHBondContact CA-O 3.22Å |
| 40 | G | 95 | Very high | 79.7 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 158.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G48 W49 L478 | G40-G48 CarbonylContact O-C 3.56Å; G40-G48 WeakPolarHBondContact O-CA 3.1Å; G40-W49 VanDerWaalsContact N-CE2 3.3Å; G40-W49 PolarHBondContact N-O 3.39Å; G40-W49 VanDerWaalsContact N-O 3.1Å; G40-W49 VanDerWaalsContact O-CD1 3.27Å; G40-W49 PolarHBondContact O-N 3.26Å; G40-L478 WeakPolarHBondContact O-CD2 3.48Å |
| 41 | I | 95.6 | Very high | 82.1 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.8 | 178.3 | -63 | 170.8 | 0 | 0 | 0 | 107.6 | M65 A445 D447 L478 | I41-M65 HydrophobicContact CB-SD 4.39Å; I41-M65 HydrophobicContact CD1-CE 3.86Å; I41-M65 HydrophobicContact CD1-SD 4.2Å; I41-M65 HydrophobicContact CG1-CE 4.08Å; I41-M65 HydrophobicContact CG1-SD 3.8Å; I41-M65 HydrophobicContact CG2-SD 3.92Å; I41-A445 HydrophobicContact CD1-CB 4Å; I41-A445 HydrophobicContact CG1-CB 3.85Å; I41-D447 HydrophobicContact CD1-CB 3.75Å; I41-D447 HydrophobicContact CG2-CB 4.46Å; I41-L478 HydrophobicContact CD1-CB 4.27Å; I41-L478 HydrophobicContact CG1-CB 4.21Å; I41-L478 HydrophobicContact CG1-CD2 4.21Å |
| 42 | I | 94.6 | Very high | 84.6 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 163.8 | -173 | 61.3 | 174.9 | 0 | 0 | 0 | 110.2 | D44 W47 V62 E94 L106 I134 | I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 PolarHBondContact O-N 3.13Å; I42-W47 HydrophobicContact CD1-CB 4.41Å; I42-W47 HydrophobicContact CD1-CE3 4.32Å; I42-W47 HydrophobicContact CG1-CB 3.94Å; I42-W47 WeakPolarHBondContact CG1-O 3.33Å; I42-W47 PolarHBondContact N-O 2.92Å; I42-W47 PolarHBondContact O-N 2.98Å; I42-V62 HydrophobicContact CD1-CG1 4.18Å; I42-E94 VanDerWaalsContact CA-OE2 3.23Å; I42-E94 WeakPolarHBondContact CA-OE2 3.49Å; I42-E94 VanDerWaalsContact CB-OE2 3.25Å; I42-E94 WeakPolarHBondContact CB-OE2 3.1Å; I42-E94 HydrophobicContact CG2-CB 4.04Å; I42-L106 HydrophobicContact CD1-CD2 4.01Å; I42-L106 HydrophobicContact CG2-CD2 4.31Å; I42-I134 HydrophobicContact CD1-CD1 3.55Å |
| 43 | R | 91.8 | Very high | 86.8 | Confident | 20 Ų | 20 | 41 Ų | 41 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 51.2 | -175.5 | -56.1 | -65.9 | -98.7 | -170.1 | -8.4 | 111.7 | G45 Q46 W47 E94 E99 H100 R102 A104 | R43-G45 PolarHBondContact O-N 3.43Å; R43-Q46 HydrophobicContact CB-CB 4.32Å; R43-Q46 VanDerWaalsContact O-CB 3.23Å; R43-Q46 WeakPolarHBondContact O-CB 3.25Å; R43-Q46 WeakPolarHBondContact O-CG 3.23Å; R43-Q46 PolarHBondContact O-N 3.37Å; R43-Q46 VanDerWaalsContact O-N 3.11Å; R43-W47 HydrophobicContact CG-CD2 4.2Å; R43-W47 HydrophobicContact CG-CE3 3.91Å; R43-W47 HydrophobicContact CG-CZ3 4.16Å; R43-E94 WeakPolarHBondContact CD-OE1 3.33Å; R43-E94 PolarHBondContact N-OE1 3.3Å; R43-E94 PolarHBondContact N-OE2 3.04Å; R43-E99 PolarHBondContact NH1-O 3.36Å; R43-E99 VanDerWaalsContact NH1-O 3.07Å; R43-H100 PolarHBondContact NH2-O 3.48Å; R43-R102 PolarHBondContact NH2-O 3.29Å; R43-A104 HydrophobicContact CG-CB 4.42Å |
| 44 | D | 87.8 | Confident | 88.7 | Confident | 102 Ų | 102 | 36.1 Ų | 36.1 | 55% | 0.545 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 51.2 | 167.4 | -49.2 | -74.1 | 0 | 0 | 0 | 113.2 | I42 Q46 H100 | I42-D44 VanDerWaalsContact C-N 3.32Å; I42-D44 PolarHBondContact O-N 3.13Å; D44-Q46 VanDerWaalsContact C-N 3.32Å; D44-Q46 PolarHBondContact O-N 3.39Å; D44-H100 IonicContact OD2-CE1 2.94Å; D44-H100 PolarHBondContact OD2-CE1 2.88Å; D44-H100 IonicContact OD2-NE2 2.88Å |
| 45 | G | 90.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -6.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R43 | R43-G45 PolarHBondContact O-N 3.43Š|
| 46 | Q | 92.8 | Very high | 91.7 | Very high | 100 Ų | 100 | 32 Ų | 32 | 47% | 0.467 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -41.4 | -173 | -64.7 | 178.9 | 12.8 | 0 | 0 | 113.7 | R43 D44 M65 | R43-Q46 HydrophobicContact CB-CB 4.32Å; R43-Q46 VanDerWaalsContact O-CB 3.23Å; R43-Q46 WeakPolarHBondContact O-CB 3.25Å; R43-Q46 WeakPolarHBondContact O-CG 3.23Å; R43-Q46 PolarHBondContact O-N 3.37Å; R43-Q46 VanDerWaalsContact O-N 3.11Å; D44-Q46 VanDerWaalsContact C-N 3.32Å; D44-Q46 PolarHBondContact O-N 3.39Å; Q46-M65 VanDerWaalsContact O-CB 3.31Å; Q46-M65 WeakPolarHBondContact O-CB 3.39Å; Q46-M65 PolarHBondContact O-N 3.45Å |
| 47 | W | 95.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 30.7 Ų | 30.7 | 22% | 0.223 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148 | -174.6 | -48.4 | -22.3 | 0 | 0 | 0 | 111.5 | I42 R43 V62 C63 L71 A104 I134 | I42-W47 HydrophobicContact CD1-CB 4.41Å; I42-W47 HydrophobicContact CD1-CE3 4.32Å; I42-W47 HydrophobicContact CG1-CB 3.94Å; I42-W47 WeakPolarHBondContact CG1-O 3.33Å; I42-W47 PolarHBondContact N-O 2.92Å; I42-W47 PolarHBondContact O-N 2.98Å; R43-W47 HydrophobicContact CG-CD2 4.2Å; R43-W47 HydrophobicContact CG-CE3 3.91Å; R43-W47 HydrophobicContact CG-CZ3 4.16Å; W47-V62 HydrophobicContact CB-CG1 4.31Å; W47-C63 CarbonylContact C-O 3.6Å; W47-C63 VanDerWaalsContact CA-O 3.31Å; W47-C63 WeakPolarHBondContact CA-O 3.34Å; W47-L71 HydrophobicContact CB-CD1 4.21Å; W47-L71 HydrophobicContact CD2-CD1 3.5Å; W47-L71 HydrophobicContact CE3-CD1 4.19Å; W47-L71 HydrophobicContact CG-CD1 3.46Å; W47-L71 VanDerWaalsContact CG-CD1 3.46Å; W47-L71 HydrophobicContact CZ2-CD1 4.24Å; W47-A104 HydrophobicContact CH2-CB 4Å; W47-A104 HydrophobicContact CZ3-CB 3.52Å; W47-I134 HydrophobicContact CE3-CD1 4.05Å; W47-I134 HydrophobicContact CE3-CG2 4.25Å; W47-I134 HydrophobicContact CZ3-CB 4.24Å; W47-I134 HydrophobicContact CZ3-CD1 3.96Å; W47-I134 HydrophobicContact CZ3-CG2 3.87Å |
| 48 | G | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G40 V62 C63 | G40-G48 CarbonylContact O-C 3.56Å; G40-G48 WeakPolarHBondContact O-CA 3.1Å; G48-V62 WeakPolarHBondContact O-CA 3.48Å; G48-C63 PolarHBondContact N-O 2.88Å; G48-C63 PolarHBondContact O-N 3.39Å |
| 49 | W | 96.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 8% | 0.076 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.9 | 173.8 | 66.6 | -96.4 | 0 | 0 | 0 | 112.1 | L38 G39 G40 T51 L60 L61 V62 V92 | L38-W49 HydrophobicContact CB-CH2 4.33Å; L38-W49 HydrophobicContact CB-CZ3 4.16Å; G39-W49 VanDerWaalsContact C-CZ2 3.46Å; G39-W49 CarbonylContact C-O 3.52Å; G39-W49 VanDerWaalsContact CA-CZ3 3.5Å; G39-W49 WeakPolarHBondContact CA-O 3.22Å; G40-W49 VanDerWaalsContact N-CE2 3.3Å; G40-W49 PolarHBondContact N-O 3.39Å; G40-W49 VanDerWaalsContact N-O 3.1Å; G40-W49 VanDerWaalsContact O-CD1 3.27Å; G40-W49 PolarHBondContact O-N 3.26Å; W49-T51 HydrophobicContact CZ3-CG2 4.03Å; W49-L60 HydrophobicContact CB-CD1 4.03Å; W49-L60 HydrophobicContact CD2-CD1 4.22Å; W49-L60 HydrophobicContact CE3-CD1 3.69Å; W49-L60 HydrophobicContact CG-CD1 4.38Å; W49-L61 CarbonylContact C-O 3.54Å; W49-L61 WeakPolarHBondContact CA-O 3.38Å; W49-V62 HydrophobicContact CB-CG2 4.08Å; W49-V92 HydrophobicContact CD2-CB 4.26Å; W49-V92 HydrophobicContact CD2-CG1 4.28Å; W49-V92 HydrophobicContact CD2-CG2 4.48Å; W49-V92 HydrophobicContact CE3-CB 4.37Å; W49-V92 HydrophobicContact CE3-CG2 4.13Å; W49-V92 HydrophobicContact CH2-CB 3.79Å; W49-V92 HydrophobicContact CH2-CG2 3.93Å; W49-V92 HydrophobicContact CZ2-CB 3.63Å; W49-V92 HydrophobicContact CZ2-CG1 4.29Å; W49-V92 HydrophobicContact CZ2-CG2 4.26Å; W49-V92 HydrophobicContact CZ3-CB 4.14Å; W49-V92 HydrophobicContact CZ3-CG2 3.84Å |
| 50 | V | 95.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.3 | -178.5 | -178 | 0 | 0 | 0 | 0 | 109.8 | F16 Y37 L38 L61 L444 L478 | F16-V50 HydrophobicContact CD2-CG2 4.5Å; F16-V50 HydrophobicContact CE2-CG2 4.02Å; Y37-V50 HydrophobicContact CD1-CG1 4.03Å; L38-V50 WeakPolarHBondContact O-CA 3.23Å; V50-L61 PolarHBondContact N-O 2.85Å; V50-L61 PolarHBondContact O-N 2.74Å; V50-L444 HydrophobicContact CG1-CD1 4.1Å; V50-L444 HydrophobicContact CG2-CD1 4.07Å; V50-L478 HydrophobicContact CG2-CD1 4.43Å |
| 51 | T | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 149.4 | 167.4 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | Y37 L38 W49 T59 I89 | Y37-T51 WeakPolarHBondContact CA-O 3.49Å; L38-T51 HydrophobicContact CB-CG2 3.79Å; L38-T51 PolarHBondContact N-O 3.44Å; L38-T51 PolarHBondContact O-N 3.35Å; W49-T51 HydrophobicContact CZ3-CG2 4.03Å; T51-T59 WeakPolarHBondContact CA-O 3.38Å; T51-T59 WeakPolarHBondContact CB-O 3.39Å; T51-T59 PolarHBondContact OG1-O 3.19Å; T51-I89 HydrophobicContact CG2-CB 4.05Å; T51-I89 HydrophobicContact CG2-CD1 4.45Å; T51-I89 HydrophobicContact CG2-CG2 4.1Å |
| 52 | W | 92 | Very high | 92.3 | Very high | 36 Ų | 36 | 23 Ų | 23 | 14% | 0.136 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 113.3 | 168.4 | -176.8 | 35.2 | 0 | 0 | 0 | 108.5 | P22 Y37 | P22-W52 HydrophobicContact CB-CB 3.78Å; Y37-W52 HydrophobicContact CD1-CB 4.17Å; Y37-W52 HydrophobicContact CE1-CB 3.91Å; Y37-W52 HydrophobicContact CE1-CG 4.21Å |
| 53 | R | 89.3 | Confident | 92.4 | Very high | 32 Ų | 32 | 22.8 Ų | 22.8 | 12% | 0.121 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 142.3 | -179.8 | -158.9 | -171 | -173.6 | -175.1 | -0.8 | 110 | E36 L38 G55 S88 E111 | E36-R53 HydrophobicContact CB-CB 4.22Å; E36-R53 HydrophobicContact CG-CB 4.27Å; E36-R53 WeakPolarHBondContact O-CA 3.46Å; E36-R53 WeakPolarHBondContact O-CB 3.38Å; E36-R53 PolarHBondContact O-N 2.75Å; E36-R53 WeakPolarHBondContact OE1-CD 3.29Å; E36-R53 IonicContact OE1-CZ 3.77Å; E36-R53 IonicContact OE1-NE 2.89Å; E36-R53 IonicContact OE1-NH1 2.75Å; E36-R53 PolarHBondContact OE1-NH1 3.25Å; L38-R53 HydrophobicContact CD1-CB 4.43Å; L38-R53 HydrophobicContact CD1-CG 4.33Å; L38-R53 HydrophobicContact CG-CB 4.4Å; R53-G55 PolarHBondContact O-N 2.89Å; R53-S88 WeakPolarHBondContact CG-OG 3.36Å; R53-E111 IonicContact CZ-OE1 2.69Å; R53-E111 IonicContact NE-OE1 3.38Å; R53-E111 PolarHBondContact NE-OE1 3.11Å; R53-E111 IonicContact NH2-OE1 3.81Å; R53-E111 PolarHBondContact NH2-OE1 3.15Å; R53-E111 IonicContact NH2-OE2 3.65Å; R53-E111 PolarHBondContact NH2-OE2 3.02Å; R53-E111 VanDerWaalsContact NH2-OE2 3.08Å |
| 54 | Y | 88.1 | Confident | 92.6 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 14% | 0.137 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 25.7 | 179.8 | -49.9 | -55.3 | 0 | 0 | 0 | 114.5 | E36 S88 W113 Q118 R119 P120 | E36-Y54 VanDerWaalsContact OE2-CE2 3.28Å; E36-Y54 WeakPolarHBondContact OE2-CE2 3.4Å; Y54-S88 PolarHBondContact N-OG 2.94Å; Y54-S88 VanDerWaalsContact N-OG 3.13Å; Y54-W113 AromaticContact CD1-CH2 3.9Å; Y54-W113 HydrophobicContact CD1-CH2 3.9Å; Y54-W113 HydrophobicContact CD1-CZ2 4.41Å; Y54-W113 HydrophobicContact CD1-CZ3 4.49Å; Y54-W113 HydrophobicContact CE1-CH2 4.46Å; Y54-Q118 WeakPolarHBondContact CB-O 3.42Å; Y54-R119 HydrophobicContact CD1-CG 4.4Å; Y54-R119 HydrophobicContact CD2-CG 3.74Å; Y54-R119 HydrophobicContact CE2-CG 4.23Å; Y54-R119 HydrophobicContact CG-CB 4.48Å; Y54-R119 HydrophobicContact CG-CG 3.8Å; Y54-P120 HydrophobicContact CE1-CG 3.88Å |
| 55 | G | 85.6 | Confident | 92.9 | Very high | 7 Ų | 7 | 17.4 Ų | 17.4 | 7% | 0.072 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -70.2 | -171.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R53 D57 | R53-G55 PolarHBondContact O-N 2.89Å; G55-D57 PolarHBondContact O-N 3.17Å |
| 56 | S | 85.8 | Confident | 93 | Very high | 14 Ų | 14 | 20.8 Ų | 20.8 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -72.5 | -11.1 | 165 | 40 | 0 | 0 | 0 | 0 | 113.2 | R26 W77 E79 | R26-S56 VanDerWaalsContact CZ-OG 3.28Å; R26-S56 PolarHBondContact NH1-OG 3.15Å; R26-S56 PolarHBondContact NH2-OG 3.3Å; S56-W77 WeakPolarHBondContact O-CZ3 3.33Å; S56-E79 WeakPolarHBondContact O-CB 3.5Å; S56-E79 PolarHBondContact O-N 3.04Å |
| 57 | D | 88.8 | Confident | 93.1 | Very high | 28 Ų | 28 | 19.9 Ų | 19.9 | 15% | 0.15 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 135.2 | -167.1 | 55.1 | -69.2 | 0 | 0 | 0 | 110.4 | G55 T59 W77 | G55-D57 PolarHBondContact O-N 3.17Å; D57-T59 PolarHBondContact O-N 2.92Å; D57-T59 WeakPolarHBondContact OD2-CB 3.47Å; D57-T59 PolarHBondContact OD2-OG1 3.48Å; D57-W77 CarbonylContact C-O 3.6Å; D57-W77 VanDerWaalsContact CA-O 3.23Å; D57-W77 WeakPolarHBondContact CA-O 3.48Å |
| 58 | A | 91.8 | Very high | 93 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 76.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F76 W77 I89 L110 | A58-F76 HydrophobicContact CB-CB 4.34Å; A58-F76 VanDerWaalsContact O-CD2 3.29Å; A58-F76 WeakPolarHBondContact O-CD2 3.29Å; A58-F76 PolarHBondContact O-N 2.98Å; A58-W77 HydrophobicContact CB-CB 4.16Å; A58-W77 PolarHBondContact N-O 3.17Å; A58-I89 HydrophobicContact CB-CG1 4.49Å; A58-L110 HydrophobicContact CB-CD2 4.06Å |
| 59 | T | 93.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.3 | -168 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | P22 T51 D57 W73 C75 | P22-T59 HydrophobicContact CG-CG2 4.04Å; P22-T59 VanDerWaalsContact CG-O 3.31Å; P22-T59 WeakPolarHBondContact CG-O 3.47Å; T51-T59 WeakPolarHBondContact CA-O 3.38Å; T51-T59 WeakPolarHBondContact CB-O 3.39Å; T51-T59 PolarHBondContact OG1-O 3.19Å; D57-T59 PolarHBondContact O-N 2.92Å; D57-T59 WeakPolarHBondContact OD2-CB 3.47Å; D57-T59 PolarHBondContact OD2-OG1 3.48Å; T59-W73 HydrophobicContact CG2-CD2 4.32Å; T59-W73 VanDerWaalsContact CG2-CE2 3.42Å; T59-W73 HydrophobicContact CG2-CZ2 3.56Å; T59-W73 VanDerWaalsContact CG2-NE1 3.25Å; T59-C75 HydrophobicContact CG2-CB 4.47Å; T59-C75 PolarHBondContact OG1-SG 2.74Å; T59-C75 VanDerWaalsContact OG1-SG 3.32Å |
| 60 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 171.9 | -174.9 | 70.6 | 0 | 0 | 0 | 110.6 | W49 V62 W73 H74 F76 I89 L106 I108 Y132 | W49-L60 HydrophobicContact CB-CD1 4.03Å; W49-L60 HydrophobicContact CD2-CD1 4.22Å; W49-L60 HydrophobicContact CE3-CD1 3.69Å; W49-L60 HydrophobicContact CG-CD1 4.38Å; L60-V62 HydrophobicContact CD2-CG2 4.26Å; L60-V62 HydrophobicContact CG-CG2 4.3Å; L60-W73 WeakPolarHBondContact O-CA 3.32Å; L60-H74 PolarHBondContact N-O 2.36Å; L60-H74 PolarHBondContact O-N 2.13Å; L60-F76 HydrophobicContact CB-CE2 3.81Å; L60-F76 HydrophobicContact CB-CZ 4.48Å; L60-I89 HydrophobicContact CB-CD1 3.84Å; L60-I89 HydrophobicContact CD1-CD1 4.43Å; L60-L106 HydrophobicContact CD2-CD1 3.9Å; L60-I108 HydrophobicContact CD2-CD1 3.67Å; L60-Y132 HydrophobicContact CD2-CD1 4.42Å; L60-Y132 HydrophobicContact CD2-CE1 4.36Å |
| 61 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.4 | 166.3 | 173.2 | 57.3 | 0 | 0 | 0 | 109.1 | I20 V21 P22 W49 V50 C63 | I20-L61 HydrophobicContact CG2-CD1 3.83Å; I20-L61 HydrophobicContact CG2-CD2 4.48Å; V21-L61 HydrophobicContact CG2-CD2 4.22Å; P22-L61 HydrophobicContact CG-CB 4.4Å; W49-L61 CarbonylContact C-O 3.54Å; W49-L61 WeakPolarHBondContact CA-O 3.38Å; V50-L61 PolarHBondContact N-O 2.85Å; V50-L61 PolarHBondContact O-N 2.74Å; L61-C63 VanDerWaalsContact CD1-SG 3.56Å |
| 62 | V | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 126 | 168.3 | -170.8 | 0 | 0 | 0 | 0 | 109 | I42 W47 G48 W49 L60 L71 S72 L106 I134 | I42-V62 HydrophobicContact CD1-CG1 4.18Å; W47-V62 HydrophobicContact CB-CG1 4.31Å; G48-V62 WeakPolarHBondContact O-CA 3.48Å; W49-V62 HydrophobicContact CB-CG2 4.08Å; L60-V62 HydrophobicContact CD2-CG2 4.26Å; L60-V62 HydrophobicContact CG-CG2 4.3Å; V62-L71 PolarHBondContact O-N 3.28Å; V62-S72 PolarHBondContact N-O 2.7Å; V62-S72 PolarHBondContact O-N 3.39Å; V62-L106 HydrophobicContact CG2-CD1 4.47Å; V62-I134 HydrophobicContact CB-CG2 4.34Å; V62-I134 HydrophobicContact CG1-CD1 4.49Å; V62-I134 HydrophobicContact CG1-CG2 4.14Å; V62-I134 HydrophobicContact CG2-CG2 4.47Å |
| 63 | C | 96.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 155.5 | -177.7 | -68 | 0 | 0 | 0 | 0 | 112.7 | F16 W47 G48 L61 D69 | F16-C63 HydrophobicContact CD1-CB 3.47Å; F16-C63 VanDerWaalsContact CD1-CB 3.47Å; F16-C63 HydrophobicContact CD2-CB 4.45Å; F16-C63 HydrophobicContact CE1-CB 3.34Å; F16-C63 HydrophobicContact CE2-CB 4.35Å; F16-C63 HydrophobicContact CG-CB 4.06Å; F16-C63 HydrophobicContact CZ-CB 3.82Å; W47-C63 CarbonylContact C-O 3.6Å; W47-C63 VanDerWaalsContact CA-O 3.31Å; W47-C63 WeakPolarHBondContact CA-O 3.34Å; G48-C63 PolarHBondContact N-O 2.88Å; G48-C63 PolarHBondContact O-N 3.39Å; L61-C63 VanDerWaalsContact CD1-SG 3.56Å; C63-D69 CarbonylContact C-O 3.58Å; C63-D69 VanDerWaalsContact CA-O 3.25Å; C63-D69 WeakPolarHBondContact CA-O 3.41Å |
| 64 | S | 95.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 129.9 | 167.4 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | S66 T67 G68 D69 | S64-S66 VanDerWaalsContact C-N 3.33Å; S64-S66 PolarHBondContact OG-N 3.04Å; S64-S66 PolarHBondContact OG-OG 2.97Å; S64-T67 WeakPolarHBondContact CB-OG1 3.42Å; S64-T67 PolarHBondContact OG-N 2.73Å; S64-T67 PolarHBondContact OG-OG1 3.26Å; S64-G68 VanDerWaalsContact O-CA 3.24Å; S64-G68 WeakPolarHBondContact O-CA 3.34Å; S64-G68 PolarHBondContact O-N 3.32Å; S64-D69 PolarHBondContact N-O 2.89Å |
| 65 | M | 94.1 | Very high | 93 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 4.2 | 172.8 | -64.6 | -173.6 | 70.3 | 0 | 0 | 113.2 | I14 I41 Q46 K483 | I14-M65 WeakPolarHBondContact CD1-O 3.41Å; I41-M65 HydrophobicContact CB-SD 4.39Å; I41-M65 HydrophobicContact CD1-CE 3.86Å; I41-M65 HydrophobicContact CD1-SD 4.2Å; I41-M65 HydrophobicContact CG1-CE 4.08Å; I41-M65 HydrophobicContact CG1-SD 3.8Å; I41-M65 HydrophobicContact CG2-SD 3.92Å; Q46-M65 VanDerWaalsContact O-CB 3.31Å; Q46-M65 WeakPolarHBondContact O-CB 3.39Å; Q46-M65 PolarHBondContact O-N 3.45Å; M65-K483 HydrophobicContact CB-CD 4.09Å; M65-K483 HydrophobicContact CE-CB 4.23Å; M65-K483 HydrophobicContact CE-CD 4.11Å; M65-K483 HydrophobicContact CE-CG 3.79Å; M65-K483 WeakPolarHBondContact O-CD 3.44Å; M65-K483 WeakPolarHBondContact O-CE 3.41Å; M65-K483 PolarHBondContact O-NZ 2.84Å |
| 66 | S | 93.4 | Very high | 93.2 | Very high | 90 Ų | 90 | 36 Ų | 36 | 63% | 0.629 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | -24.9 | 171.6 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | I14 S64 | I14-S66 WeakPolarHBondContact CD1-O 3.48Å; S64-S66 VanDerWaalsContact C-N 3.33Å; S64-S66 PolarHBondContact OG-N 3.04Å; S64-S66 PolarHBondContact OG-OG 2.97Å |
| 67 | T | 94.3 | Very high | 93.5 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | -20.3 | -177.9 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | S64 D69 | S64-T67 WeakPolarHBondContact CB-OG1 3.42Å; S64-T67 PolarHBondContact OG-N 2.73Å; S64-T67 PolarHBondContact OG-OG1 3.26Å; T67-D69 WeakPolarHBondContact CB-OD2 3.44Å; T67-D69 PolarHBondContact O-N 3.15Å; T67-D69 PolarHBondContact OG1-OD2 2.83Å |
| 68 | G | 93.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | trans | 85.2 | -12 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P17 S64 | P17-G68 WeakPolarHBondContact CD-O 3.46Å; S64-G68 VanDerWaalsContact O-CA 3.24Å; S64-G68 WeakPolarHBondContact O-CA 3.34Å; S64-G68 PolarHBondContact O-N 3.32Å | ||
| 69 | D | 94.1 | Very high | 93.1 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 50% | 0.503 | 21% | 0.206 | S | C | . | . | trans | -56.6 | 140 | 178.9 | -60.7 | -59.1 | 0 | 0 | 0 | 111.9 | C63 S64 T67 L71 | C63-D69 CarbonylContact C-O 3.58Å; C63-D69 VanDerWaalsContact CA-O 3.25Å; C63-D69 WeakPolarHBondContact CA-O 3.41Å; S64-D69 PolarHBondContact N-O 2.89Å; T67-D69 WeakPolarHBondContact CB-OD2 3.44Å; T67-D69 PolarHBondContact O-N 3.15Å; T67-D69 PolarHBondContact OG1-OD2 2.83Å; D69-L71 PolarHBondContact O-N 2.76Å | ||
| 70 | Y | 91.6 | Very high | 92.6 | Very high | 135 Ų | 135 | 44.6 Ų | 44.6 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.9 | 168.4 | 83.3 | -79.1 | 0 | 0 | 0 | 109.3 | I20 W73 | I20-Y70 HydrophobicContact CD1-CD1 3.66Å; I20-Y70 HydrophobicContact CD1-CE1 4.03Å; I20-Y70 HydrophobicContact CD1-CG 4.06Å; Y70-W73 HydrophobicContact CD2-CB 4.43Å |
| 71 | L | 93.7 | Very high | 91.8 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.346 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -27.6 | 177.7 | -58.4 | 176.7 | 0 | 0 | 0 | 111.3 | W47 V62 D69 | W47-L71 HydrophobicContact CB-CD1 4.21Å; W47-L71 HydrophobicContact CD2-CD1 3.5Å; W47-L71 HydrophobicContact CE3-CD1 4.19Å; W47-L71 HydrophobicContact CG-CD1 3.46Å; W47-L71 VanDerWaalsContact CG-CD1 3.46Å; W47-L71 HydrophobicContact CZ2-CD1 4.24Å; V62-L71 PolarHBondContact O-N 3.28Å; D69-L71 PolarHBondContact O-N 2.76Å |
| 72 | S | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 141.7 | -178.6 | -165.3 | 0 | 0 | 0 | 0 | 110.6 | V62 Y132 I134 S137 | V62-S72 PolarHBondContact N-O 2.7Å; V62-S72 PolarHBondContact O-N 3.39Å; S72-Y132 PolarHBondContact OG-OH 3.43Å; S72-I134 WeakPolarHBondContact CB-O 3.33Å; S72-I134 PolarHBondContact OG-O 3.25Å; S72-I134 VanDerWaalsContact OG-O 3.1Å; S72-S137 WeakPolarHBondContact CA-OG 3.19Å; S72-S137 WeakPolarHBondContact OG-CA 3.14Å; S72-S137 WeakPolarHBondContact OG-CB 3.42Å; S72-S137 PolarHBondContact OG-OG 3.01Å |
| 73 | W | 93.3 | Very high | 89.8 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 133.2 | 175.4 | -179.3 | 94 | 0 | 0 | 0 | 109 | I20 T59 L60 Y70 C75 | I20-W73 HydrophobicContact CG2-CB 4.46Å; I20-W73 HydrophobicContact CG2-CG 4.05Å; I20-W73 PolarHBondContact O-NE1 3.42Å; T59-W73 HydrophobicContact CG2-CD2 4.32Å; T59-W73 VanDerWaalsContact CG2-CE2 3.42Å; T59-W73 HydrophobicContact CG2-CZ2 3.56Å; T59-W73 VanDerWaalsContact CG2-NE1 3.25Å; L60-W73 WeakPolarHBondContact O-CA 3.32Å; Y70-W73 HydrophobicContact CD2-CB 4.43Å; W73-C75 HydrophobicContact CH2-CB 3.69Å; W73-C75 HydrophobicContact CZ2-CB 4.22Å; W73-C75 HydrophobicContact CZ3-CB 4.15Å |
| 74 | H | 92.6 | Very high | 89.2 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 125.3 | 177.6 | -172.2 | -75.1 | 0 | 0 | 0 | 112.3 | L60 F76 Y132 S137 | L60-H74 PolarHBondContact N-O 2.36Å; L60-H74 PolarHBondContact O-N 2.13Å; H74-F76 HydrophobicContact CB-CZ 4.32Å; H74-F76 AromaticContact CE1-CD1 3.35Å; H74-F76 WeakPolarHBondContact CE1-CD1 3.27Å; H74-F76 AromaticContact CE1-CE1 3.55Å; H74-F76 AromaticContact CG-CE1 3.93Å; H74-F76 AromaticContact ND1-CD1 3.16Å; H74-F76 WeakPolarHBondContact ND1-CD1 3.13Å; H74-F76 AromaticContact ND1-CE1 3.13Å; H74-F76 WeakPolarHBondContact ND1-CE1 3.16Å; H74-F76 AromaticContact ND1-CG 3.68Å; H74-F76 AromaticContact ND1-CZ 3.65Å; H74-Y132 HydrophobicContact CB-CE2 3.59Å; H74-Y132 VanDerWaalsContact CB-OH 3.27Å; H74-Y132 WeakPolarHBondContact CB-OH 3Å; H74-Y132 AromaticContact CG-CE2 3.81Å; H74-S137 PolarHBondContact CD2-O 3.23Å |
| 75 | C | 92 | Very high | 88.6 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.2 | 170.7 | -171.8 | 0 | 0 | 0 | 0 | 109.8 | T59 W73 W77 | T59-C75 HydrophobicContact CG2-CB 4.47Å; T59-C75 PolarHBondContact OG1-SG 2.74Å; T59-C75 VanDerWaalsContact OG1-SG 3.32Å; W73-C75 HydrophobicContact CH2-CB 3.69Å; W73-C75 HydrophobicContact CZ2-CB 4.22Å; W73-C75 HydrophobicContact CZ3-CB 4.15Å; C75-W77 PolarHBondContact SG-O 3.45Å |
| 76 | F | 91.1 | Very high | 88.4 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -17.1 | -179.7 | -58.7 | -73.8 | 0 | 0 | 0 | 113.8 | A58 L60 H74 I89 I108 L110 L130 Y132 V139 | A58-F76 HydrophobicContact CB-CB 4.34Å; A58-F76 VanDerWaalsContact O-CD2 3.29Å; A58-F76 WeakPolarHBondContact O-CD2 3.29Å; A58-F76 PolarHBondContact O-N 2.98Å; L60-F76 HydrophobicContact CB-CE2 3.81Å; L60-F76 HydrophobicContact CB-CZ 4.48Å; H74-F76 HydrophobicContact CB-CZ 4.32Å; H74-F76 AromaticContact CE1-CD1 3.35Å; H74-F76 WeakPolarHBondContact CE1-CD1 3.27Å; H74-F76 AromaticContact CE1-CE1 3.55Å; H74-F76 AromaticContact CG-CE1 3.93Å; H74-F76 AromaticContact ND1-CD1 3.16Å; H74-F76 WeakPolarHBondContact ND1-CD1 3.13Å; H74-F76 AromaticContact ND1-CE1 3.13Å; H74-F76 WeakPolarHBondContact ND1-CE1 3.16Å; H74-F76 AromaticContact ND1-CG 3.68Å; H74-F76 AromaticContact ND1-CZ 3.65Å; F76-I89 HydrophobicContact CD2-CD1 3.83Å; F76-I89 HydrophobicContact CD2-CG1 4.22Å; F76-I89 HydrophobicContact CE2-CD1 3.75Å; F76-I108 HydrophobicContact CE1-CD1 4.36Å; F76-I108 HydrophobicContact CE2-CD1 3.92Å; F76-I108 HydrophobicContact CE2-CG2 4.45Å; F76-I108 HydrophobicContact CZ-CD1 3.47Å; F76-I108 VanDerWaalsContact CZ-CD1 3.47Å; F76-L110 HydrophobicContact CB-CD1 3.78Å; F76-L110 HydrophobicContact CB-CD2 4.13Å; F76-L110 HydrophobicContact CD2-CD2 4.38Å; F76-L110 HydrophobicContact CG-CD1 4.13Å; F76-L110 HydrophobicContact CG-CD2 4.44Å; F76-L130 HydrophobicContact CD1-CD1 3.31Å; F76-L130 HydrophobicContact CE1-CD1 3.55Å; F76-L130 HydrophobicContact CG-CD1 4.06Å; F76-L130 HydrophobicContact CZ-CD1 4.42Å; F76-Y132 HydrophobicContact CE1-CD2 4.09Å; F76-Y132 HydrophobicContact CE1-CE2 4.39Å; F76-Y132 HydrophobicContact CZ-CD2 4.02Å; F76-Y132 HydrophobicContact CZ-CE2 4.2Å; F76-V139 HydrophobicContact CD1-CG2 4.09Å; F76-V139 HydrophobicContact CE1-CG2 3.62Å |
| 77 | W | 91.5 | Very high | 88.4 | Confident | 9 Ų | 9 | 65 Ų | 65 | 3% | 0.034 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 142.7 | 177.5 | 171.1 | 70.4 | 0 | 0 | 0 | 108.7 | S56 D57 A58 C75 E79 D82 R86 K87 | S56-W77 WeakPolarHBondContact O-CZ3 3.33Å; D57-W77 CarbonylContact C-O 3.6Å; D57-W77 VanDerWaalsContact CA-O 3.23Å; D57-W77 WeakPolarHBondContact CA-O 3.48Å; A58-W77 HydrophobicContact CB-CB 4.16Å; A58-W77 PolarHBondContact N-O 3.17Å; C75-W77 PolarHBondContact SG-O 3.45Å; W77-E79 HydrophobicContact CH2-CB 3.84Å; W77-E79 HydrophobicContact CZ2-CB 3.95Å; W77-D82 VanDerWaalsContact CD1-OD2 3.32Å; W77-D82 PolarHBondContact NE1-O 3.48Å; W77-R86 HydrophobicContact CH2-CB 3.89Å; W77-R86 HydrophobicContact CH2-CG 3.97Å; W77-R86 HydrophobicContact CZ2-CB 4.18Å; W77-R86 HydrophobicContact CZ2-CG 4.2Å; W77-R86 HydrophobicContact CZ3-CB 4.36Å; W77-K87 HydrophobicContact CB-CB 3.86Å; W77-K87 HydrophobicContact CB-CD 3.93Å; W77-K87 HydrophobicContact CB-CG 3.92Å; W77-K87 HydrophobicContact CD2-CB 4.13Å; W77-K87 HydrophobicContact CD2-CG 4.13Å; W77-K87 HydrophobicContact CE3-CB 4.27Å; W77-K87 HydrophobicContact CG-CB 3.94Å; W77-K87 HydrophobicContact CG-CD 4.08Å; W77-K87 HydrophobicContact CG-CG 3.72Å |
| 78 | S | 88.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 61.1 Ų | 61.1 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.1 | 167.9 | 179 | 0 | 0 | 0 | 0 | 109.7 | S80 D81 D82 | S78-S80 PolarHBondContact O-N 3.38Å; S78-S80 VanDerWaalsContact O-N 3.15Å; S78-S80 PolarHBondContact OG-N 3.05Å; S78-S80 PolarHBondContact OG-OG 3.48Å; S78-D81 PolarHBondContact O-N 2.96Å; S78-D82 PolarHBondContact O-N 3.37Å |
| 79 | E | 84.2 | Confident | 88.4 | Confident | 98 Ų | 98 | 61 Ų | 61 | 46% | 0.458 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.5 | 171.8 | -175.5 | 166.3 | -153.8 | 0 | 0 | 113.2 | S56 W77 R86 | S56-E79 WeakPolarHBondContact O-CB 3.5Å; S56-E79 PolarHBondContact O-N 3.04Å; W77-E79 HydrophobicContact CH2-CB 3.84Å; W77-E79 HydrophobicContact CZ2-CB 3.95Å; E79-R86 VanDerWaalsContact CD-NH1 3.34Å; E79-R86 VanDerWaalsContact CD-NH2 3.26Å; E79-R86 IonicContact OE1-CZ 3.27Å; E79-R86 IonicContact OE1-NH1 3.66Å; E79-R86 PolarHBondContact OE1-NH1 2.69Å; E79-R86 IonicContact OE1-NH2 3.6Å; E79-R86 PolarHBondContact OE1-NH2 2.98Å; E79-R86 IonicContact OE2-CZ 3.55Å; E79-R86 IonicContact OE2-NH1 3.4Å; E79-R86 IonicContact OE2-NH2 3.8Å; E79-R86 PolarHBondContact OE2-NH2 3.4Å |
| 80 | S | 83.1 | Confident | 88.4 | Confident | 96 Ų | 96 | 58.6 Ų | 58.6 | 67% | 0.671 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -27.9 | 173.4 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | S78 | S78-S80 PolarHBondContact O-N 3.38Å; S78-S80 VanDerWaalsContact O-N 3.15Å; S78-S80 PolarHBondContact OG-N 3.05Å; S78-S80 PolarHBondContact OG-OG 3.48Å |
| 81 | D | 79.3 | Confident | 88.5 | Confident | 125 Ų | 125 | 53.2 Ų | 53.2 | 67% | 0.668 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -26.9 | -163.4 | -77.4 | 44.5 | 0 | 0 | 0 | 112.5 | S78 | S78-D81 PolarHBondContact O-N 2.96Š|
| 82 | D | 76.1 | Confident | 88.6 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | trans | -134.6 | 97.9 | -164.4 | -154.7 | 24.9 | 0 | 0 | 0 | 110 | W77 S78 G84 K87 | W77-D82 VanDerWaalsContact CD1-OD2 3.32Å; W77-D82 PolarHBondContact NE1-O 3.48Å; S78-D82 PolarHBondContact O-N 3.37Å; D82-G84 PolarHBondContact O-N 3.12Å; D82-K87 IonicContact OD2-NZ 3.73Å; D82-K87 PolarHBondContact OD2-NZ 2.91Å | ||
| 83 | L | 74.6 | Confident | 88.8 | Confident | 188 Ų | 188 | 53.4 Ų | 53.4 | 98% | 0.984 | 29% | 0.287 | S | S | * | . | trans | -67.3 | 16.7 | 178 | -72.4 | 168.9 | 0 | 0 | 0 | 114.2 | ||||
| 84 | G | 81.8 | Confident | 88.9 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -86.1 | -166.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D82 | D82-G84 PolarHBondContact O-N 3.12Š|
| 85 | P | 85 | Confident | 89 | Confident | 47 Ų | 47 | 46.8 Ų | 46.8 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | trans | -54.3 | 142.2 | 169.3 | 22.5 | -33.5 | 0 | 0 | 0 | 111.2 | K87 W113 | P85-K87 WeakPolarHBondContact O-CG 3.26Å; P85-W113 CarbonylContact C-O 3.51Å; P85-W113 WeakPolarHBondContact CA-O 3.42Å; P85-W113 VanDerWaalsContact CB-O 3.25Å; P85-W113 WeakPolarHBondContact CB-O 3.35Å | ||
| 86 | R | 89.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 144.3 | 169.7 | -58.4 | -169.6 | 81.1 | 90.3 | 9.9 | 108.7 | W77 E79 S112 W113 D117 | W77-R86 HydrophobicContact CH2-CB 3.89Å; W77-R86 HydrophobicContact CH2-CG 3.97Å; W77-R86 HydrophobicContact CZ2-CB 4.18Å; W77-R86 HydrophobicContact CZ2-CG 4.2Å; W77-R86 HydrophobicContact CZ3-CB 4.36Å; E79-R86 VanDerWaalsContact CD-NH1 3.34Å; E79-R86 VanDerWaalsContact CD-NH2 3.26Å; E79-R86 IonicContact OE1-CZ 3.27Å; E79-R86 IonicContact OE1-NH1 3.66Å; E79-R86 PolarHBondContact OE1-NH1 2.69Å; E79-R86 IonicContact OE1-NH2 3.6Å; E79-R86 PolarHBondContact OE1-NH2 2.98Å; E79-R86 IonicContact OE2-CZ 3.55Å; E79-R86 IonicContact OE2-NH1 3.4Å; E79-R86 IonicContact OE2-NH2 3.8Å; E79-R86 PolarHBondContact OE2-NH2 3.4Å; R86-S112 CarbonylContact O-C 3.6Å; R86-S112 WeakPolarHBondContact O-CA 3.33Å; R86-S112 WeakPolarHBondContact O-CB 3.16Å; R86-W113 HydrophobicContact CB-CD2 4.05Å; R86-W113 HydrophobicContact CB-CH2 4.05Å; R86-W113 HydrophobicContact CB-CZ2 3.58Å; R86-W113 HydrophobicContact CB-CZ3 4.5Å; R86-W113 HydrophobicContact CG-CZ2 4.44Å; R86-W113 PolarHBondContact N-O 3.22Å; R86-W113 PolarHBondContact O-N 2.98Å; R86-D117 WeakPolarHBondContact CD-O 3.41Å |
| 87 | K | 91.7 | Very high | 89 | Confident | 33 Ų | 33 | 47 Ų | 47 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.6 | 179.9 | -39.4 | -170.2 | -162.1 | 117.2 | 0 | 110.6 | W77 D82 P85 E111 | W77-K87 HydrophobicContact CB-CB 3.86Å; W77-K87 HydrophobicContact CB-CD 3.93Å; W77-K87 HydrophobicContact CB-CG 3.92Å; W77-K87 HydrophobicContact CD2-CB 4.13Å; W77-K87 HydrophobicContact CD2-CG 4.13Å; W77-K87 HydrophobicContact CE3-CB 4.27Å; W77-K87 HydrophobicContact CG-CB 3.94Å; W77-K87 HydrophobicContact CG-CD 4.08Å; W77-K87 HydrophobicContact CG-CG 3.72Å; D82-K87 IonicContact OD2-NZ 3.73Å; D82-K87 PolarHBondContact OD2-NZ 2.91Å; P85-K87 WeakPolarHBondContact O-CG 3.26Å; K87-E111 CarbonylContact C-O 3.53Å; K87-E111 VanDerWaalsContact CA-O 3.26Å; K87-E111 WeakPolarHBondContact CA-O 3.41Å |
| 88 | S | 93.5 | Very high | 88.6 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.6 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | R53 Y54 L110 E111 | R53-S88 WeakPolarHBondContact CG-OG 3.36Å; Y54-S88 PolarHBondContact N-OG 2.94Å; Y54-S88 VanDerWaalsContact N-OG 3.13Å; S88-L110 CarbonylContact O-C 3.58Å; S88-L110 WeakPolarHBondContact O-CA 3.33Å; S88-L110 WeakPolarHBondContact O-CD2 3.39Å; S88-E111 PolarHBondContact N-O 3.01Å; S88-E111 PolarHBondContact O-N 3.4Å |
| 89 | I | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.5 | 168.9 | -61.3 | -179.2 | 0 | 0 | 0 | 107.9 | T51 A58 L60 F76 V92 I108 L110 | T51-I89 HydrophobicContact CG2-CB 4.05Å; T51-I89 HydrophobicContact CG2-CD1 4.45Å; T51-I89 HydrophobicContact CG2-CG2 4.1Å; A58-I89 HydrophobicContact CB-CG1 4.49Å; L60-I89 HydrophobicContact CB-CD1 3.84Å; L60-I89 HydrophobicContact CD1-CD1 4.43Å; F76-I89 HydrophobicContact CD2-CD1 3.83Å; F76-I89 HydrophobicContact CD2-CG1 4.22Å; F76-I89 HydrophobicContact CE2-CD1 3.75Å; I89-V92 HydrophobicContact CG2-CG2 3.6Å; I89-I108 HydrophobicContact CD1-CG2 4.36Å; I89-I108 HydrophobicContact CG1-CG2 4.26Å; I89-I108 HydrophobicContact CG2-CG2 3.98Å; I89-L110 HydrophobicContact CG1-CD2 3.74Å |
| 90 | R | 93.2 | Very high | 88.4 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 17% | 0.17 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -43.4 | -177.1 | -173.8 | 170.1 | 177.3 | 90.3 | 5.4 | 112.7 | C109 E111 C150 E178 | R90-C109 HydrophobicContact CB-CB 4.41Å; R90-C109 PolarHBondContact N-O 2.92Å; R90-E111 HydrophobicContact CB-CB 4.12Å; R90-E111 HydrophobicContact CB-CG 4.12Å; R90-E111 VanDerWaalsContact CD-OE2 3.23Å; R90-E111 WeakPolarHBondContact CD-OE2 3.34Å; R90-E111 IonicContact CZ-OE2 3.52Å; R90-E111 IonicContact NE-OE2 3.21Å; R90-E111 IonicContact NH1-OE2 3.26Å; R90-E111 PolarHBondContact NH1-OE2 3.38Å; R90-C150 WeakPolarHBondContact CD-O 3.17Å; R90-C150 PolarHBondContact NE-O 3.17Å; R90-E178 IonicContact CZ-OE1 2.68Å; R90-E178 VanDerWaalsContact CZ-OE1 3.31Å; R90-E178 IonicContact NH1-OE1 3.45Å; R90-E178 IonicContact NH2-OE1 2.81Å; R90-E178 PolarHBondContact NH2-OE1 2.88Å |
| 91 | C | 94 | Very high | 88.4 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 157.9 | 173 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | C109 | C91-C109 PolarHBondContact O-N 2.93Å; C91-C109 VanDerWaalsContact SG-CB 3.58Å |
| 92 | V | 96.8 | Very high | 88.7 | Confident | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 141.2 | -179.4 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | W49 I89 L106 A107 I108 | W49-V92 HydrophobicContact CD2-CB 4.26Å; W49-V92 HydrophobicContact CD2-CG1 4.28Å; W49-V92 HydrophobicContact CD2-CG2 4.48Å; W49-V92 HydrophobicContact CE3-CB 4.37Å; W49-V92 HydrophobicContact CE3-CG2 4.13Å; W49-V92 HydrophobicContact CH2-CB 3.79Å; W49-V92 HydrophobicContact CH2-CG2 3.93Å; W49-V92 HydrophobicContact CZ2-CB 3.63Å; W49-V92 HydrophobicContact CZ2-CG1 4.29Å; W49-V92 HydrophobicContact CZ2-CG2 4.26Å; W49-V92 HydrophobicContact CZ3-CB 4.14Å; W49-V92 HydrophobicContact CZ3-CG2 3.84Å; I89-V92 HydrophobicContact CG2-CG2 3.6Å; V92-L106 HydrophobicContact CG1-CB 4.05Å; V92-L106 HydrophobicContact CG1-CD1 3.96Å; V92-L106 HydrophobicContact CG1-CD2 4.27Å; V92-L106 HydrophobicContact CG1-CG 4.31Å; V92-A107 CarbonylContact C-O 3.59Å; V92-A107 VanDerWaalsContact CA-O 3.31Å; V92-A107 WeakPolarHBondContact CA-O 3.49Å; V92-I108 HydrophobicContact CG1-CG1 4.14Å; V92-I108 HydrophobicContact CG2-CG1 4.25Å; V92-I108 HydrophobicContact CG2-CG2 4.3Å |
| 93 | E | 96.8 | Very high | 89.1 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.6 | -178.7 | 173.4 | 65 | 160.6 | 0 | 0 | 111.3 | L106 A107 L153 T154 F155 L173 | E93-L106 WeakPolarHBondContact O-CA 3.34Å; E93-A107 PolarHBondContact N-O 3.39Å; E93-A107 PolarHBondContact O-N 2.78Å; E93-L153 HydrophobicContact CB-CB 3.72Å; E93-L153 HydrophobicContact CG-CB 4.4Å; E93-T154 VanDerWaalsContact OE1-CA 3.27Å; E93-T154 WeakPolarHBondContact OE1-CA 3.31Å; E93-F155 HydrophobicContact CG-CB 4.12Å; E93-F155 PolarHBondContact OE1-N 2.86Å; E93-L173 HydrophobicContact CG-CD1 4.46Å |
| 94 | E | 96.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 44 Ų | 44 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 133.4 | 176.2 | -177.2 | 168.7 | -174.2 | 0 | 0 | 111.6 | I42 R43 P97 L106 F155 | I42-E94 VanDerWaalsContact CA-OE2 3.23Å; I42-E94 WeakPolarHBondContact CA-OE2 3.49Å; I42-E94 VanDerWaalsContact CB-OE2 3.25Å; I42-E94 WeakPolarHBondContact CB-OE2 3.1Å; I42-E94 HydrophobicContact CG2-CB 4.04Å; R43-E94 WeakPolarHBondContact CD-OE1 3.33Å; R43-E94 PolarHBondContact N-OE1 3.3Å; R43-E94 PolarHBondContact N-OE2 3.04Å; E94-P97 HydrophobicContact CG-CB 4.33Å; E94-L106 HydrophobicContact CB-CD2 4.44Å; E94-F155 WeakPolarHBondContact O-CB 3.44Å |
| 95 | L | 95.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 126.6 | 177.5 | -58.2 | 177.9 | 0 | 0 | 0 | 110.4 | M105 A107 I131 F155 L173 L187 | L95-M105 HydrophobicContact CB-CB 4.19Å; L95-M105 WeakPolarHBondContact CB-O 3.42Å; L95-M105 HydrophobicContact CD1-CB 4.16Å; L95-M105 PolarHBondContact N-O 3.38Å; L95-A107 HydrophobicContact CD1-CB 4.14Å; L95-A107 HydrophobicContact CD2-CB 3.92Å; L95-A107 HydrophobicContact CG-CB 4.2Å; L95-I131 HydrophobicContact CD1-CD1 4.03Å; L95-I131 HydrophobicContact CD1-CG2 4.01Å; L95-F155 HydrophobicContact CD2-CB 4.34Å; L95-F155 HydrophobicContact CD2-CD2 3.64Å; L95-F155 HydrophobicContact CD2-CE2 4.37Å; L95-F155 HydrophobicContact CD2-CG 4.29Å; L95-L173 HydrophobicContact CD2-CD1 4.26Å; L95-L187 HydrophobicContact CD1-CD1 4.23Å; L95-L187 HydrophobicContact CD2-CD1 3.89Å |
| 96 | F | 92.9 | Very high | 91 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 60.9 | 51 | -177.1 | -41.4 | -83.3 | 0 | 0 | 0 | 114.1 | E99 M105 F155 L187 | F96-E99 HydrophobicContact CB-CB 4.06Å; F96-E99 HydrophobicContact CB-CG 4.21Å; F96-E99 WeakPolarHBondContact CD1-OE1 3.46Å; F96-E99 WeakPolarHBondContact O-CB 3.36Å; F96-E99 PolarHBondContact O-N 3.39Å; F96-E99 VanDerWaalsContact O-N 3.13Å; F96-M105 HydrophobicContact CD2-CE 3.85Å; F96-M105 HydrophobicContact CE2-CE 3.75Å; F96-F155 HydrophobicContact CD1-CE1 4.15Å; F96-F155 HydrophobicContact CD1-CE2 4.07Å; F96-F155 AromaticContact CD1-CZ 3.39Å; F96-F155 HydrophobicContact CD1-CZ 3.39Å; F96-F155 AromaticContact CE1-CE2 3.88Å; F96-F155 HydrophobicContact CE1-CE2 3.88Å; F96-F155 AromaticContact CE1-CZ 3.54Å; F96-F155 HydrophobicContact CE1-CZ 3.54Å; F96-F155 HydrophobicContact CG-CZ 4.01Å; F96-F155 HydrophobicContact CZ-CE2 4.12Å; F96-F155 HydrophobicContact CZ-CZ 4.24Å; F96-L187 HydrophobicContact CZ-CD1 4.24Å |
| 97 | P | 89.9 | Confident | 91.4 | Very high | 66 Ų | 66 | 38.6 Ų | 38.6 | 43% | 0.429 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 145.6 | 173.3 | 27.2 | -35.3 | 0 | 0 | 0 | 111.1 | E94 E99 F155 | E94-P97 HydrophobicContact CG-CB 4.33Å; P97-E99 PolarHBondContact O-N 3.08Å; P97-E99 VanDerWaalsContact O-N 3.16Å; P97-F155 HydrophobicContact CG-CD1 4.49Å |
| 98 | G | 83.3 | Confident | 91.6 | Very high | 42 Ų | 42 | 37 Ų | 37 | 43% | 0.433 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | -15.4 | -172 | 0 | 0 | 0 | 0 | 0 | 116 | H100 | G98-H100 VanDerWaalsContact C-N 3.3Å; G98-H100 PolarHBondContact O-CD2 3.03Å; G98-H100 PolarHBondContact O-N 2.88Å |
| 99 | E | 87.7 | Confident | 91.8 | Very high | 75 Ų | 75 | 37 Ų | 37 | 35% | 0.35 | 19% | 0.192 | S | C | . | . | trans | -82.6 | 72.7 | 173 | -61.9 | -162.8 | -119.1 | 0 | 0 | 110.5 | R43 F96 P97 E101 R102 | R43-E99 PolarHBondContact NH1-O 3.36Å; R43-E99 VanDerWaalsContact NH1-O 3.07Å; F96-E99 HydrophobicContact CB-CB 4.06Å; F96-E99 HydrophobicContact CB-CG 4.21Å; F96-E99 WeakPolarHBondContact CD1-OE1 3.46Å; F96-E99 WeakPolarHBondContact O-CB 3.36Å; F96-E99 PolarHBondContact O-N 3.39Å; F96-E99 VanDerWaalsContact O-N 3.13Å; P97-E99 PolarHBondContact O-N 3.08Å; P97-E99 VanDerWaalsContact O-N 3.16Å; E99-E101 VanDerWaalsContact C-N 3.29Å; E99-E101 PolarHBondContact O-N 3.04Å; E99-R102 HydrophobicContact CB-CB 4.31Å; E99-R102 HydrophobicContact CB-CG 4.25Å; E99-R102 VanDerWaalsContact CD-CZ 3.46Å; E99-R102 PolarHBondContact O-N 2.99Å; E99-R102 VanDerWaalsContact O-N 3.09Å; E99-R102 IonicContact OE1-CZ 3.39Å; E99-R102 IonicContact OE1-NH1 2.63Å; E99-R102 PolarHBondContact OE1-NH1 3.06Å; E99-R102 IonicContact OE1-NH2 2.98Å; E99-R102 WeakPolarHBondContact OE2-CD 3.37Å; E99-R102 IonicContact OE2-CZ 3.47Å; E99-R102 IonicContact OE2-NE 3.86Å; E99-R102 PolarHBondContact OE2-NE 3.44Å; E99-R102 VanDerWaalsContact OE2-NE 3.1Å; E99-R102 IonicContact OE2-NH1 2.69Å; E99-R102 PolarHBondContact OE2-NH1 3.33Å; E99-R102 IonicContact OE2-NH2 2.7Å; E99-R102 PolarHBondContact OE2-NH2 2.82Å | ||
| 100 | H | 79.5 | Confident | 91.8 | Very high | 106 Ų | 106 | 37 Ų | 37 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -34.3 | -176.6 | -58.4 | -70.1 | 0 | 0 | 0 | 113.7 | R43 D44 G98 R102 | R43-H100 PolarHBondContact NH2-O 3.48Å; D44-H100 IonicContact OD2-CE1 2.94Å; D44-H100 PolarHBondContact OD2-CE1 2.88Å; D44-H100 IonicContact OD2-NE2 2.88Å; G98-H100 VanDerWaalsContact C-N 3.3Å; G98-H100 PolarHBondContact O-CD2 3.03Å; G98-H100 PolarHBondContact O-N 2.88Å; H100-R102 PolarHBondContact O-N 3.25Å |
| 101 | E | 83.3 | Confident | 91.8 | Very high | 203 Ų | 203 | 34.9 Ų | 34.9 | 95% | 0.949 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.9 | 176.4 | -63.4 | -176.4 | 172.6 | 0 | 0 | 113.3 | E99 | E99-E101 VanDerWaalsContact C-N 3.29Å; E99-E101 PolarHBondContact O-N 3.04Å |
| 102 | R | 85.1 | Confident | 91.7 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 28% | 0.275 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -81.4 | 147.6 | 178.6 | -73.7 | -171.1 | 173.1 | 151.2 | 20.9 | 111.4 | R43 E99 H100 A104 Q193 | R43-R102 PolarHBondContact NH2-O 3.29Å; E99-R102 HydrophobicContact CB-CB 4.31Å; E99-R102 HydrophobicContact CB-CG 4.25Å; E99-R102 VanDerWaalsContact CD-CZ 3.46Å; E99-R102 PolarHBondContact O-N 2.99Å; E99-R102 VanDerWaalsContact O-N 3.09Å; E99-R102 IonicContact OE1-CZ 3.39Å; E99-R102 IonicContact OE1-NH1 2.63Å; E99-R102 PolarHBondContact OE1-NH1 3.06Å; E99-R102 IonicContact OE1-NH2 2.98Å; E99-R102 WeakPolarHBondContact OE2-CD 3.37Å; E99-R102 IonicContact OE2-CZ 3.47Å; E99-R102 IonicContact OE2-NE 3.86Å; E99-R102 PolarHBondContact OE2-NE 3.44Å; E99-R102 VanDerWaalsContact OE2-NE 3.1Å; E99-R102 IonicContact OE2-NH1 2.69Å; E99-R102 PolarHBondContact OE2-NH1 3.33Å; E99-R102 IonicContact OE2-NH2 2.7Å; E99-R102 PolarHBondContact OE2-NH2 2.82Å; H100-R102 PolarHBondContact O-N 3.25Å; R102-A104 PolarHBondContact O-N 2.98Å; R102-Q193 VanDerWaalsContact NE-NE2 3.18Å |
| 103 | P | 86.1 | Confident | 91.4 | Very high | 42 Ų | 42 | 34 Ų | 34 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 129.4 | 170.1 | 27.1 | -34.1 | 0 | 0 | 0 | 109.7 | M105 | P103-M105 PolarHBondContact O-N 2.97Š|
| 104 | A | 90.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 127.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | R43 W47 R102 I134 | R43-A104 HydrophobicContact CG-CB 4.42Å; W47-A104 HydrophobicContact CH2-CB 4Å; W47-A104 HydrophobicContact CZ3-CB 3.52Å; R102-A104 PolarHBondContact O-N 2.98Å; A104-I134 HydrophobicContact CB-CB 4.46Å; A104-I134 HydrophobicContact CB-CD1 3.98Å; A104-I134 HydrophobicContact CB-CG1 4.45Å; A104-I134 PolarHBondContact O-N 2.93Å; A104-I134 VanDerWaalsContact O-N 3.13Å |
| 105 | M | 94.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.4 | -177.6 | -69.2 | 174.9 | -70.5 | 0 | 0 | 110.7 | L95 F96 P103 Y132 A133 L140 | L95-M105 HydrophobicContact CB-CB 4.19Å; L95-M105 WeakPolarHBondContact CB-O 3.42Å; L95-M105 HydrophobicContact CD1-CB 4.16Å; L95-M105 PolarHBondContact N-O 3.38Å; F96-M105 HydrophobicContact CD2-CE 3.85Å; F96-M105 HydrophobicContact CE2-CE 3.75Å; P103-M105 PolarHBondContact O-N 2.97Å; M105-Y132 CarbonylContact C-O 3.51Å; M105-Y132 WeakPolarHBondContact CA-O 3.37Å; M105-A133 HydrophobicContact CG-CB 4.35Å; M105-L140 HydrophobicContact SD-CD1 3.8Å |
| 106 | L | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143 | 177.2 | -58 | 174.6 | 0 | 0 | 0 | 109.8 | I42 L60 V62 V92 E93 E94 I108 Y132 I134 | I42-L106 HydrophobicContact CD1-CD2 4.01Å; I42-L106 HydrophobicContact CG2-CD2 4.31Å; L60-L106 HydrophobicContact CD2-CD1 3.9Å; V62-L106 HydrophobicContact CG2-CD1 4.47Å; V92-L106 HydrophobicContact CG1-CB 4.05Å; V92-L106 HydrophobicContact CG1-CD1 3.96Å; V92-L106 HydrophobicContact CG1-CD2 4.27Å; V92-L106 HydrophobicContact CG1-CG 4.31Å; E93-L106 WeakPolarHBondContact O-CA 3.34Å; E94-L106 HydrophobicContact CB-CD2 4.44Å; L106-I108 HydrophobicContact CB-CG1 4.17Å; L106-Y132 HydrophobicContact CD1-CD1 4.43Å; L106-Y132 PolarHBondContact N-O 2.66Å; L106-Y132 PolarHBondContact O-N 3.45Å; L106-I134 HydrophobicContact CD1-CD1 3.97Å; L106-I134 HydrophobicContact CD1-CG1 4.14Å; L106-I134 HydrophobicContact CD2-CD1 4.21Å; L106-I134 HydrophobicContact CG-CD1 3.88Å; L106-I134 HydrophobicContact CG-CG1 4.11Å |
| 107 | A | 97.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | V92 E93 L95 V129 L130 I131 L153 L173 | V92-A107 CarbonylContact C-O 3.59Å; V92-A107 VanDerWaalsContact CA-O 3.31Å; V92-A107 WeakPolarHBondContact CA-O 3.49Å; E93-A107 PolarHBondContact N-O 3.39Å; E93-A107 PolarHBondContact O-N 2.78Å; L95-A107 HydrophobicContact CD1-CB 4.14Å; L95-A107 HydrophobicContact CD2-CB 3.92Å; L95-A107 HydrophobicContact CG-CB 4.2Å; A107-V129 HydrophobicContact CB-CG1 4.43Å; A107-L130 WeakPolarHBondContact CA-O 3.22Å; A107-I131 HydrophobicContact CB-CD1 4.24Å; A107-L153 HydrophobicContact CB-CD1 3.99Å; A107-L173 HydrophobicContact CB-CD1 4.05Å; A107-L173 HydrophobicContact CB-CD2 3.67Å |
| 108 | I | 97.5 | Very high | 87 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 120.8 | -175.9 | -58.3 | 170.4 | 0 | 0 | 0 | 107.8 | L60 F76 I89 V92 L106 V129 L130 Y132 | L60-I108 HydrophobicContact CD2-CD1 3.67Å; F76-I108 HydrophobicContact CE1-CD1 4.36Å; F76-I108 HydrophobicContact CE2-CD1 3.92Å; F76-I108 HydrophobicContact CE2-CG2 4.45Å; F76-I108 HydrophobicContact CZ-CD1 3.47Å; F76-I108 VanDerWaalsContact CZ-CD1 3.47Å; I89-I108 HydrophobicContact CD1-CG2 4.36Å; I89-I108 HydrophobicContact CG1-CG2 4.26Å; I89-I108 HydrophobicContact CG2-CG2 3.98Å; V92-I108 HydrophobicContact CG1-CG1 4.14Å; V92-I108 HydrophobicContact CG2-CG1 4.25Å; V92-I108 HydrophobicContact CG2-CG2 4.3Å; L106-I108 HydrophobicContact CB-CG1 4.17Å; I108-V129 WeakPolarHBondContact O-CA 3.38Å; I108-L130 HydrophobicContact CB-CB 4.35Å; I108-L130 PolarHBondContact N-O 3.38Å; I108-L130 PolarHBondContact O-N 2.89Å; I108-Y132 HydrophobicContact CD1-CD1 4.33Å; I108-Y132 HydrophobicContact CD1-CG 3.96Å |
| 109 | C | 96.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 122.9 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | R90 C91 Q128 C150 L153 | R90-C109 HydrophobicContact CB-CB 4.41Å; R90-C109 PolarHBondContact N-O 2.92Å; C91-C109 PolarHBondContact O-N 2.93Å; C91-C109 VanDerWaalsContact SG-CB 3.58Å; C109-Q128 WeakPolarHBondContact CA-O 3.38Å; C109-C150 VanDerWaalsContact SG-SG 3.61Å; C109-L153 HydrophobicContact CB-CD1 4.08Å; C109-L153 HydrophobicContact CB-CG 4.49Å |
| 110 | L | 95.2 | Very high | 86.4 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.5 | 166.2 | -73.3 | 168.1 | 0 | 0 | 0 | 109.5 | A58 F76 S88 I89 T127 Q128 L130 | A58-L110 HydrophobicContact CB-CD2 4.06Å; F76-L110 HydrophobicContact CB-CD1 3.78Å; F76-L110 HydrophobicContact CB-CD2 4.13Å; F76-L110 HydrophobicContact CD2-CD2 4.38Å; F76-L110 HydrophobicContact CG-CD1 4.13Å; F76-L110 HydrophobicContact CG-CD2 4.44Å; S88-L110 CarbonylContact O-C 3.58Å; S88-L110 WeakPolarHBondContact O-CA 3.33Å; S88-L110 WeakPolarHBondContact O-CD2 3.39Å; I89-L110 HydrophobicContact CG1-CD2 3.74Å; L110-T127 WeakPolarHBondContact O-CA 3.43Å; L110-Q128 HydrophobicContact CB-CG 3.92Å; L110-Q128 PolarHBondContact N-O 3.26Å; L110-Q128 PolarHBondContact O-N 2.95Å; L110-L130 HydrophobicContact CD1-CD1 3.49Å; L110-L130 VanDerWaalsContact CD1-CD1 3.49Å; L110-L130 HydrophobicContact CD1-CG 4.03Å; L110-L130 HydrophobicContact CG-CD1 4.34Å |
| 111 | E | 93.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 144.4 | 167.5 | 70 | -160.5 | 143.1 | 0 | 0 | 109.6 | R53 K87 S88 R90 W113 L125 T127 | R53-E111 IonicContact CZ-OE1 2.69Å; R53-E111 IonicContact NE-OE1 3.38Å; R53-E111 PolarHBondContact NE-OE1 3.11Å; R53-E111 IonicContact NH2-OE1 3.81Å; R53-E111 PolarHBondContact NH2-OE1 3.15Å; R53-E111 IonicContact NH2-OE2 3.65Å; R53-E111 PolarHBondContact NH2-OE2 3.02Å; R53-E111 VanDerWaalsContact NH2-OE2 3.08Å; K87-E111 CarbonylContact C-O 3.53Å; K87-E111 VanDerWaalsContact CA-O 3.26Å; K87-E111 WeakPolarHBondContact CA-O 3.41Å; S88-E111 PolarHBondContact N-O 3.01Å; S88-E111 PolarHBondContact O-N 3.4Å; R90-E111 HydrophobicContact CB-CB 4.12Å; R90-E111 HydrophobicContact CB-CG 4.12Å; R90-E111 VanDerWaalsContact CD-OE2 3.23Å; R90-E111 WeakPolarHBondContact CD-OE2 3.34Å; R90-E111 IonicContact CZ-OE2 3.52Å; R90-E111 IonicContact NE-OE2 3.21Å; R90-E111 IonicContact NH1-OE2 3.26Å; R90-E111 PolarHBondContact NH1-OE2 3.38Å; E111-W113 HydrophobicContact CG-CZ3 4.12Å; E111-L125 HydrophobicContact CB-CD2 4.34Å; E111-T127 HydrophobicContact CB-CG2 4.25Å |
| 112 | S | 92.1 | Very high | 85.8 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 142.3 | -177.8 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | R86 S126 | R86-S112 CarbonylContact O-C 3.6Å; R86-S112 WeakPolarHBondContact O-CA 3.33Å; R86-S112 WeakPolarHBondContact O-CB 3.16Å; S112-S126 PolarHBondContact N-O 2.98Å; S112-S126 PolarHBondContact O-N 2.95Å; S112-S126 PolarHBondContact OG-O 2.85Å |
| 113 | W | 91.2 | Very high | 85.5 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 1% | 0.011 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 157.6 | -175 | 64 | 105.3 | 0 | 0 | 0 | 112.1 | Y54 P85 R86 E111 D117 Q118 P120 L125 | Y54-W113 AromaticContact CD1-CH2 3.9Å; Y54-W113 HydrophobicContact CD1-CH2 3.9Å; Y54-W113 HydrophobicContact CD1-CZ2 4.41Å; Y54-W113 HydrophobicContact CD1-CZ3 4.49Å; Y54-W113 HydrophobicContact CE1-CH2 4.46Å; P85-W113 CarbonylContact C-O 3.51Å; P85-W113 WeakPolarHBondContact CA-O 3.42Å; P85-W113 VanDerWaalsContact CB-O 3.25Å; P85-W113 WeakPolarHBondContact CB-O 3.35Å; R86-W113 HydrophobicContact CB-CD2 4.05Å; R86-W113 HydrophobicContact CB-CH2 4.05Å; R86-W113 HydrophobicContact CB-CZ2 3.58Å; R86-W113 HydrophobicContact CB-CZ3 4.5Å; R86-W113 HydrophobicContact CG-CZ2 4.44Å; R86-W113 PolarHBondContact N-O 3.22Å; R86-W113 PolarHBondContact O-N 2.98Å; E111-W113 HydrophobicContact CG-CZ3 4.12Å; W113-D117 PolarHBondContact NE1-O 3.49Å; W113-Q118 WeakPolarHBondContact CZ2-O 3.4Å; W113-P120 HydrophobicContact CB-CB 4.26Å; W113-P120 HydrophobicContact CD2-CB 4Å; W113-P120 HydrophobicContact CD2-CG 4.2Å; W113-P120 HydrophobicContact CE3-CB 4.38Å; W113-P120 HydrophobicContact CE3-CG 4.18Å; W113-P120 HydrophobicContact CG-CB 3.93Å; W113-L125 HydrophobicContact CB-CD2 4.24Å; W113-L125 HydrophobicContact CE3-CD2 4.39Å |
| 114 | N | 83.8 | Confident | 85.3 | Confident | 143 Ų | 143 | 48.6 Ų | 48.6 | 77% | 0.765 | 28% | 0.282 | S | S | * | . | trans | -104 | 0.1 | -175.6 | -74 | -55.8 | 0 | 0 | 0 | 114.5 | ||||
| 115 | S | 71.3 | Confident | 85.2 | Confident | 30 Ų | 30 | 50.2 Ų | 50.2 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -77.3 | 155 | 175.6 | 85.7 | 0 | 0 | 0 | 0 | 111 | D117 | S115-D117 WeakPolarHBondContact CB-OD2 3.31Å; S115-D117 PolarHBondContact O-N 2.88Å; S115-D117 PolarHBondContact OG-N 2.84Å; S115-D117 PolarHBondContact OG-OD2 2.86Å |
| 116 | G | 71.1 | Confident | 85 | Confident | 73 Ų | 73 | 52.7 Ų | 52.7 | 75% | 0.753 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -72 | -7.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 117 | D | 75.7 | Confident | 84.9 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -75.6 | 146.3 | -174.4 | -44.4 | -73.4 | 0 | 0 | 0 | 111.7 | R86 W113 S115 R119 | R86-D117 WeakPolarHBondContact CD-O 3.41Å; W113-D117 PolarHBondContact NE1-O 3.49Å; S115-D117 WeakPolarHBondContact CB-OD2 3.31Å; S115-D117 PolarHBondContact O-N 2.88Å; S115-D117 PolarHBondContact OG-N 2.84Å; S115-D117 PolarHBondContact OG-OD2 2.86Å; D117-R119 VanDerWaalsContact C-N 3.29Å; D117-R119 PolarHBondContact O-N 2.9Å |
| 118 | Q | 75.5 | Confident | 84.8 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -68.4 | -27.4 | -179.2 | -68.7 | 179.2 | -12.2 | 0 | 0 | 113.2 | Y54 W113 | Y54-Q118 WeakPolarHBondContact CB-O 3.42Å; W113-Q118 WeakPolarHBondContact CZ2-O 3.4Å |
| 119 | R | 78.4 | Confident | 84.7 | Confident | 65 Ų | 65 | 55.1 Ų | 55.1 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -121.4 | 138.1 | 176 | -61.6 | -171.9 | 178 | 165.9 | 1.2 | 109.3 | D33 Y54 D117 I121 | D33-R119 PolarHBondContact O-NH2 3.02Å; Y54-R119 HydrophobicContact CD1-CG 4.4Å; Y54-R119 HydrophobicContact CD2-CG 3.74Å; Y54-R119 HydrophobicContact CE2-CG 4.23Å; Y54-R119 HydrophobicContact CG-CB 4.48Å; Y54-R119 HydrophobicContact CG-CG 3.8Å; D117-R119 VanDerWaalsContact C-N 3.29Å; D117-R119 PolarHBondContact O-N 2.9Å; R119-I121 PolarHBondContact O-N 3.16Å |
| 120 | P | 80.1 | Confident | 84.6 | Confident | 25 Ų | 25 | 55.5 Ų | 55.5 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | trans | -70.5 | 112.6 | 173.4 | 28.9 | -31.9 | 0 | 0 | 0 | 109.9 | Y54 W113 L125 | Y54-P120 HydrophobicContact CE1-CG 3.88Å; W113-P120 HydrophobicContact CB-CB 4.26Å; W113-P120 HydrophobicContact CD2-CB 4Å; W113-P120 HydrophobicContact CD2-CG 4.2Å; W113-P120 HydrophobicContact CE3-CB 4.38Å; W113-P120 HydrophobicContact CE3-CG 4.18Å; W113-P120 HydrophobicContact CG-CB 3.93Å; P120-L125 HydrophobicContact CB-CD2 3.79Å; P120-L125 HydrophobicContact CB-CG 4.47Å; P120-L125 HydrophobicContact CG-CD2 3.95Å | ||
| 121 | I | 76.2 | Confident | 84.6 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | trans | -122.3 | 125.1 | 173.7 | -56.6 | 174.7 | 0 | 0 | 0 | 106.9 | R119 C123 | R119-I121 PolarHBondContact O-N 3.16Å; I121-C123 PolarHBondContact N-SG 2.65Å; I121-C123 PolarHBondContact O-N 2.77Å; I121-C123 PolarHBondContact O-SG 2.9Å | ||
| 122 | D | 74.1 | Confident | 84.6 | Confident | 174 Ų | 174 | 55.4 Ų | 55.4 | 93% | 0.93 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 48.6 | 26.4 | 177.7 | -58 | -30 | 0 | 0 | 0 | 116.2 | ||
| 123 | C | 79.1 | Confident | 84.6 | Confident | 34 Ų | 34 | 54.6 Ų | 54.6 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -122 | 148.1 | -179.2 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | I121 L125 | I121-C123 PolarHBondContact N-SG 2.65Å; I121-C123 PolarHBondContact O-N 2.77Å; I121-C123 PolarHBondContact O-SG 2.9Å; C123-L125 PolarHBondContact O-N 2.86Å |
| 124 | P | 80.8 | Confident | 84.7 | Confident | 120 Ų | 120 | 54.6 Ų | 54.6 | 78% | 0.779 | 31% | 0.314 | S | S | * | . | trans | -68.7 | 126.9 | -173.1 | 27.1 | -34.8 | 0 | 0 | 0 | 111.8 | ||||
| 125 | L | 88.1 | Confident | 84.8 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | trans | -91.9 | 143.2 | 177.8 | -72.5 | 166.1 | 0 | 0 | 0 | 111.4 | E111 W113 P120 C123 T149 | E111-L125 HydrophobicContact CB-CD2 4.34Å; W113-L125 HydrophobicContact CB-CD2 4.24Å; W113-L125 HydrophobicContact CE3-CD2 4.39Å; P120-L125 HydrophobicContact CB-CD2 3.79Å; P120-L125 HydrophobicContact CB-CG 4.47Å; P120-L125 HydrophobicContact CG-CD2 3.95Å; C123-L125 PolarHBondContact O-N 2.86Å; L125-T149 HydrophobicContact CB-CG2 4.14Å; L125-T149 HydrophobicContact CD1-CG2 3.99Å | ||
| 126 | S | 90.9 | Very high | 85.2 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.6 | 160 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | S112 | S112-S126 PolarHBondContact N-O 2.98Å; S112-S126 PolarHBondContact O-N 2.95Å; S112-S126 PolarHBondContact OG-O 2.85Å |
| 127 | T | 94.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.6 | 179.7 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | L110 E111 L145 I148 T149 C150 | L110-T127 WeakPolarHBondContact O-CA 3.43Å; E111-T127 HydrophobicContact CB-CG2 4.25Å; T127-L145 WeakPolarHBondContact O-CB 3.46Å; T127-L145 PolarHBondContact O-N 2.63Å; T127-L145 VanDerWaalsContact O-N 3.16Å; T127-I148 PolarHBondContact OG1-O 2.8Å; T127-T149 HydrophobicContact CG2-CG2 4.07Å; T127-C150 PolarHBondContact OG1-N 2.94Å |
| 128 | Q | 94.2 | Very high | 86.6 | Confident | 50 Ų | 50 | 55.5 Ų | 55.5 | 23% | 0.234 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.4 | 178.5 | 64.3 | 173.2 | -4.9 | 0 | 0 | 110.3 | C109 L110 F143 | C109-Q128 WeakPolarHBondContact CA-O 3.38Å; L110-Q128 HydrophobicContact CB-CG 3.92Å; L110-Q128 PolarHBondContact N-O 3.26Å; L110-Q128 PolarHBondContact O-N 2.95Å; Q128-F143 WeakPolarHBondContact CA-O 3.02Å |
| 129 | V | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.6 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | A107 I108 I131 F143 L145 L153 L173 | A107-V129 HydrophobicContact CB-CG1 4.43Å; I108-V129 WeakPolarHBondContact O-CA 3.38Å; V129-I131 HydrophobicContact CG1-CD1 4.48Å; V129-F143 HydrophobicContact CB-CD2 4.04Å; V129-F143 HydrophobicContact CB-CE1 4.33Å; V129-F143 HydrophobicContact CB-CE2 3.6Å; V129-F143 HydrophobicContact CB-CZ 3.76Å; V129-F143 HydrophobicContact CG1-CE1 4.19Å; V129-F143 HydrophobicContact CG1-CE2 4.03Å; V129-F143 HydrophobicContact CG1-CZ 3.67Å; V129-F143 HydrophobicContact CG2-CE2 4.16Å; V129-F143 PolarHBondContact N-O 3.15Å; V129-F143 PolarHBondContact O-N 3.09Å; V129-L145 HydrophobicContact CG2-CD1 4.02Å; V129-L145 HydrophobicContact CG2-CD2 4.13Å; V129-L145 HydrophobicContact CG2-CG 4.25Å; V129-L153 HydrophobicContact CG2-CD2 4.38Å; V129-L173 HydrophobicContact CG1-CD2 4.12Å |
| 130 | L | 95.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143.9 | 171.7 | -54.4 | -174.1 | 0 | 0 | 0 | 110 | F76 A107 I108 L110 V139 R141 R142 | F76-L130 HydrophobicContact CD1-CD1 3.31Å; F76-L130 HydrophobicContact CE1-CD1 3.55Å; F76-L130 HydrophobicContact CG-CD1 4.06Å; F76-L130 HydrophobicContact CZ-CD1 4.42Å; A107-L130 WeakPolarHBondContact CA-O 3.22Å; I108-L130 HydrophobicContact CB-CB 4.35Å; I108-L130 PolarHBondContact N-O 3.38Å; I108-L130 PolarHBondContact O-N 2.89Å; L110-L130 HydrophobicContact CD1-CD1 3.49Å; L110-L130 VanDerWaalsContact CD1-CD1 3.49Å; L110-L130 HydrophobicContact CD1-CG 4.03Å; L110-L130 HydrophobicContact CG-CD1 4.34Å; L130-V139 HydrophobicContact CB-CG1 4.22Å; L130-V139 HydrophobicContact CD1-CG2 4.09Å; L130-V139 HydrophobicContact CD2-CG1 4.19Å; L130-R141 WeakPolarHBondContact CA-O 3.5Å; L130-R142 HydrophobicContact CD2-CB 3.46Å; L130-R142 VanDerWaalsContact CD2-CB 3.46Å |
| 131 | I | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.1 | 165.8 | -51.8 | -59.4 | 0 | 0 | 0 | 108.1 | L95 A107 V129 V139 L140 R141 F143 L187 L192 | L95-I131 HydrophobicContact CD1-CD1 4.03Å; L95-I131 HydrophobicContact CD1-CG2 4.01Å; A107-I131 HydrophobicContact CB-CD1 4.24Å; V129-I131 HydrophobicContact CG1-CD1 4.48Å; I131-V139 CarbonylContact O-C 3.49Å; I131-L140 PolarHBondContact O-N 3.46Å; I131-R141 PolarHBondContact N-O 2.94Å; I131-F143 HydrophobicContact CD1-CE1 4.19Å; I131-F143 HydrophobicContact CG1-CE1 4.09Å; I131-L187 HydrophobicContact CD1-CD2 3.8Å; I131-L192 HydrophobicContact CB-CD2 4.5Å; I131-L192 HydrophobicContact CG2-CD1 4.08Å; I131-L192 HydrophobicContact CG2-CD2 4.26Å |
| 132 | Y | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.1 | -171.4 | -178.4 | -101.6 | 0 | 0 | 0 | 111.4 | L60 S72 H74 F76 M105 L106 I108 I134 S137 V139 | L60-Y132 HydrophobicContact CD2-CD1 4.42Å; L60-Y132 HydrophobicContact CD2-CE1 4.36Å; S72-Y132 PolarHBondContact OG-OH 3.43Å; H74-Y132 HydrophobicContact CB-CE2 3.59Å; H74-Y132 VanDerWaalsContact CB-OH 3.27Å; H74-Y132 WeakPolarHBondContact CB-OH 3Å; H74-Y132 AromaticContact CG-CE2 3.81Å; F76-Y132 HydrophobicContact CE1-CD2 4.09Å; F76-Y132 HydrophobicContact CE1-CE2 4.39Å; F76-Y132 HydrophobicContact CZ-CD2 4.02Å; F76-Y132 HydrophobicContact CZ-CE2 4.2Å; M105-Y132 CarbonylContact C-O 3.51Å; M105-Y132 WeakPolarHBondContact CA-O 3.37Å; L106-Y132 HydrophobicContact CD1-CD1 4.43Å; L106-Y132 PolarHBondContact N-O 2.66Å; L106-Y132 PolarHBondContact O-N 3.45Å; I108-Y132 HydrophobicContact CD1-CD1 4.33Å; I108-Y132 HydrophobicContact CD1-CG 3.96Å; Y132-I134 HydrophobicContact CD1-CG1 4.33Å; Y132-I134 HydrophobicContact CE1-CG1 4.41Å; Y132-S137 WeakPolarHBondContact OH-CA 3.23Å; Y132-V139 HydrophobicContact CD2-CG2 4.12Å |
| 133 | A | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | M105 R135 N136 S137 Q138 L140 | M105-A133 HydrophobicContact CG-CB 4.35Å; A133-R135 PolarHBondContact O-N 3.21Å; A133-N136 PolarHBondContact O-N 3.5Å; A133-S137 PolarHBondContact O-N 3.45Å; A133-S137 VanDerWaalsContact O-N 3.11Å; A133-Q138 PolarHBondContact N-O 3.41Å; A133-Q138 PolarHBondContact O-N 3.39Å; A133-L140 HydrophobicContact CB-CD1 4.04Å; A133-L140 HydrophobicContact CB-CD2 4Å; A133-L140 HydrophobicContact CB-CG 3.94Å |
| 134 | I | 92.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -62.2 | -49.4 | -171.7 | -56.5 | 179.4 | 0 | 0 | 0 | 110.9 | I42 W47 V62 S72 A104 L106 Y132 N136 S137 | I42-I134 HydrophobicContact CD1-CD1 3.55Å; W47-I134 HydrophobicContact CE3-CD1 4.05Å; W47-I134 HydrophobicContact CE3-CG2 4.25Å; W47-I134 HydrophobicContact CZ3-CB 4.24Å; W47-I134 HydrophobicContact CZ3-CD1 3.96Å; W47-I134 HydrophobicContact CZ3-CG2 3.87Å; V62-I134 HydrophobicContact CB-CG2 4.34Å; V62-I134 HydrophobicContact CG1-CD1 4.49Å; V62-I134 HydrophobicContact CG1-CG2 4.14Å; V62-I134 HydrophobicContact CG2-CG2 4.47Å; S72-I134 WeakPolarHBondContact CB-O 3.33Å; S72-I134 PolarHBondContact OG-O 3.25Å; S72-I134 VanDerWaalsContact OG-O 3.1Å; A104-I134 HydrophobicContact CB-CB 4.46Å; A104-I134 HydrophobicContact CB-CD1 3.98Å; A104-I134 HydrophobicContact CB-CG1 4.45Å; A104-I134 PolarHBondContact O-N 2.93Å; A104-I134 VanDerWaalsContact O-N 3.13Å; L106-I134 HydrophobicContact CD1-CD1 3.97Å; L106-I134 HydrophobicContact CD1-CG1 4.14Å; L106-I134 HydrophobicContact CD2-CD1 4.21Å; L106-I134 HydrophobicContact CG-CD1 3.88Å; L106-I134 HydrophobicContact CG-CG1 4.11Å; Y132-I134 HydrophobicContact CD1-CG1 4.33Å; Y132-I134 HydrophobicContact CE1-CG1 4.41Å; I134-N136 PolarHBondContact O-N 2.95Å; I134-S137 PolarHBondContact O-N 2.83Å |
| 135 | R | 85.6 | Confident | 90.9 | Very high | 213 Ų | 213 | 31.2 Ų | 31.2 | 80% | 0.804 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -56.8 | -25.3 | -176 | -172.8 | 176 | -175.7 | 171.5 | 3.5 | 114.4 | A133 | A133-R135 PolarHBondContact O-N 3.21Š|
| 136 | N | 80.3 | Confident | 90.8 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -114.9 | 3.8 | -176.7 | -60.6 | 30.3 | 0 | 0 | 0 | 111.9 | A133 I134 Q138 | A133-N136 PolarHBondContact O-N 3.5Å; I134-N136 PolarHBondContact O-N 2.95Å; N136-Q138 HydrophobicContact CB-CB 4.28Å; N136-Q138 PolarHBondContact O-N 2.66Å; N136-Q138 VanDerWaalsContact O-N 3.15Å |
| 137 | S | 88.8 | Confident | 90.4 | Very high | 42 Ų | 42 | 34.7 Ų | 34.7 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 40 | -171.5 | -55.1 | 0 | 0 | 0 | 0 | 114.7 | S72 H74 Y132 A133 I134 | S72-S137 WeakPolarHBondContact CA-OG 3.19Å; S72-S137 WeakPolarHBondContact OG-CA 3.14Å; S72-S137 WeakPolarHBondContact OG-CB 3.42Å; S72-S137 PolarHBondContact OG-OG 3.01Å; H74-S137 PolarHBondContact CD2-O 3.23Å; Y132-S137 WeakPolarHBondContact OH-CA 3.23Å; A133-S137 PolarHBondContact O-N 3.45Å; A133-S137 VanDerWaalsContact O-N 3.11Å; I134-S137 PolarHBondContact O-N 2.83Å |
| 138 | Q | 86.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 24% | 0.243 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.5 | -166.5 | -178 | 173.2 | 78.1 | 0 | 0 | 113.5 | A133 N136 L140 | A133-Q138 PolarHBondContact N-O 3.41Å; A133-Q138 PolarHBondContact O-N 3.39Å; N136-Q138 HydrophobicContact CB-CB 4.28Å; N136-Q138 PolarHBondContact O-N 2.66Å; N136-Q138 VanDerWaalsContact O-N 3.15Å; Q138-L140 PolarHBondContact O-N 3.14Å |
| 139 | V | 89.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 116 | 165.3 | -176.7 | 0 | 0 | 0 | 0 | 110 | F76 L130 I131 Y132 R141 P210 | F76-V139 HydrophobicContact CD1-CG2 4.09Å; F76-V139 HydrophobicContact CE1-CG2 3.62Å; L130-V139 HydrophobicContact CB-CG1 4.22Å; L130-V139 HydrophobicContact CD1-CG2 4.09Å; L130-V139 HydrophobicContact CD2-CG1 4.19Å; I131-V139 CarbonylContact O-C 3.49Å; Y132-V139 HydrophobicContact CD2-CG2 4.12Å; V139-R141 WeakPolarHBondContact CG1-O 3.31Å; V139-P210 HydrophobicContact CB-CB 3.82Å; V139-P210 HydrophobicContact CB-CG 4.43Å; V139-P210 HydrophobicContact CG1-CB 3.42Å; V139-P210 VanDerWaalsContact CG1-CB 3.42Å; V139-P210 HydrophobicContact CG1-CG 4.09Å |
| 140 | L | 89 | Confident | 90.1 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -42.5 | 176.9 | -59.9 | -176.1 | 0 | 0 | 0 | 111.8 | M105 I131 A133 Q138 L192 T196 | M105-L140 HydrophobicContact SD-CD1 3.8Å; I131-L140 PolarHBondContact O-N 3.46Å; A133-L140 HydrophobicContact CB-CD1 4.04Å; A133-L140 HydrophobicContact CB-CD2 4Å; A133-L140 HydrophobicContact CB-CG 3.94Å; Q138-L140 PolarHBondContact O-N 3.14Å; L140-L192 HydrophobicContact CB-CD2 3.96Å; L140-L192 HydrophobicContact CD1-CB 4.1Å; L140-L192 HydrophobicContact CD1-CD2 4.31Å; L140-T196 WeakPolarHBondContact CD1-OG1 3.14Å |
| 141 | R | 89.9 | Confident | 90 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 3% | 0.034 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.9 | 175.9 | -76.7 | -153.1 | -88.7 | 174.4 | 6.1 | 112.1 | L130 I131 V139 L187 L192 S211 G238 A239 H240 | L130-R141 WeakPolarHBondContact CA-O 3.5Å; I131-R141 PolarHBondContact N-O 2.94Å; V139-R141 WeakPolarHBondContact CG1-O 3.31Å; R141-L187 PolarHBondContact NH2-O 3.37Å; R141-L192 HydrophobicContact CB-CD2 4.34Å; R141-L192 HydrophobicContact CG-CD2 4Å; R141-S211 VanDerWaalsContact CA-O 3.31Å; R141-S211 WeakPolarHBondContact CA-O 3.46Å; R141-S211 WeakPolarHBondContact CG-O 3.43Å; R141-G238 PolarHBondContact NH1-O 2.83Å; R141-A239 PolarHBondContact NH1-O 2.98Å; R141-H240 PolarHBondContact NE-NE2 3.39Å; R141-H240 PolarHBondContact NH1-NE2 3.28Å; R141-H240 PolarHBondContact NH2-CE1 2.8Å; R141-H240 PolarHBondContact NH2-NE2 3.06Å |
| 142 | R | 91.6 | Very high | 90.1 | Very high | 53 Ų | 53 | 35 Ų | 35 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 144.2 | 167 | 61.1 | 175.6 | 177.6 | -146.3 | -5.4 | 109.7 | L130 E209 P210 S211 D212 G213 | L130-R142 HydrophobicContact CD2-CB 3.46Å; L130-R142 VanDerWaalsContact CD2-CB 3.46Å; R142-E209 IonicContact CZ-OE1 2.93Å; R142-E209 VanDerWaalsContact CZ-OE1 3.23Å; R142-E209 IonicContact NH1-OE1 2.7Å; R142-E209 PolarHBondContact NH1-OE1 2.89Å; R142-E209 IonicContact NH2-OE1 2.75Å; R142-E209 PolarHBondContact NH2-OE1 2.82Å; R142-E209 IonicContact NH2-OE2 3.2Å; R142-P210 HydrophobicContact CB-CG 4.45Å; R142-P210 HydrophobicContact CG-CB 4.41Å; R142-P210 HydrophobicContact CG-CG 4.08Å; R142-S211 PolarHBondContact N-O 2.8Å; R142-D212 WeakPolarHBondContact CD-OD1 3.46Å; R142-D212 WeakPolarHBondContact CG-OD1 3.25Å; R142-D212 IonicContact CZ-OD1 3.24Å; R142-D212 IonicContact CZ-OD2 2.73Å; R142-D212 VanDerWaalsContact NE-CG 3.28Å; R142-D212 IonicContact NE-OD1 3.59Å; R142-D212 PolarHBondContact NE-OD1 3.46Å; R142-D212 IonicContact NE-OD2 2.61Å; R142-D212 PolarHBondContact NE-OD2 3.06Å; R142-D212 IonicContact NH2-OD1 3.26Å; R142-D212 IonicContact NH2-OD2 2.77Å; R142-D212 PolarHBondContact NH2-OD2 3.12Å; R142-G213 PolarHBondContact O-N 2.83Å |
| 143 | F | 92.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.022 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 131.8 | 169.8 | 55.2 | -93.6 | 0 | 0 | 0 | 112.7 | Q128 V129 I131 L145 V185 G213 L215 H240 | Q128-F143 WeakPolarHBondContact CA-O 3.02Å; V129-F143 HydrophobicContact CB-CD2 4.04Å; V129-F143 HydrophobicContact CB-CE1 4.33Å; V129-F143 HydrophobicContact CB-CE2 3.6Å; V129-F143 HydrophobicContact CB-CZ 3.76Å; V129-F143 HydrophobicContact CG1-CE1 4.19Å; V129-F143 HydrophobicContact CG1-CE2 4.03Å; V129-F143 HydrophobicContact CG1-CZ 3.67Å; V129-F143 HydrophobicContact CG2-CE2 4.16Å; V129-F143 PolarHBondContact N-O 3.15Å; V129-F143 PolarHBondContact O-N 3.09Å; I131-F143 HydrophobicContact CD1-CE1 4.19Å; I131-F143 HydrophobicContact CG1-CE1 4.09Å; F143-L145 HydrophobicContact CD2-CD2 4.24Å; F143-L145 HydrophobicContact CE2-CD2 4.28Å; F143-V185 HydrophobicContact CE2-CG1 4.31Å; F143-V185 HydrophobicContact CZ-CG1 4.15Å; F143-G213 WeakPolarHBondContact CB-O 3.32Å; F143-L215 HydrophobicContact CD2-CD1 4.12Å; F143-L215 HydrophobicContact CD2-CD2 4.13Å; F143-L215 HydrophobicContact CE2-CD1 4.3Å; F143-H240 AromaticContact CD1-CD2 3.56Å; F143-H240 AromaticContact CD1-NE2 3.58Å; F143-H240 AromaticContact CE1-CD2 3.86Å; F143-H240 AromaticContact CE1-CE1 3.96Å; F143-H240 AromaticContact CE1-NE2 3.6Å |
| 144 | D | 91.2 | Very high | 90.4 | Very high | 60 Ų | 60 | 36.4 Ų | 36.4 | 32% | 0.321 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 144.9 | 174.6 | 175.7 | 23.2 | 0 | 0 | 0 | 110.5 | H146 | D144-H146 VanDerWaalsContact C-N 3.32Å; D144-H146 VanDerWaalsContact CG-N 3.26Å; D144-H146 PolarHBondContact OD1-N 3.17Å; D144-H146 IonicContact OD2-CE1 4Å; D144-H146 PolarHBondContact OD2-CE1 3.48Å; D144-H146 IonicContact OD2-CG 2.73Å; D144-H146 IonicContact OD2-ND1 3.42Å; D144-H146 PolarHBondContact OD2-ND1 2.75Å |
| 145 | L | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -91.3 | 4.6 | 172.9 | -58.2 | -177.3 | 0 | 0 | 0 | 112.9 | T127 V129 F143 I148 C150 V175 L183 L215 | T127-L145 WeakPolarHBondContact O-CB 3.46Å; T127-L145 PolarHBondContact O-N 2.63Å; T127-L145 VanDerWaalsContact O-N 3.16Å; V129-L145 HydrophobicContact CG2-CD1 4.02Å; V129-L145 HydrophobicContact CG2-CD2 4.13Å; V129-L145 HydrophobicContact CG2-CG 4.25Å; F143-L145 HydrophobicContact CD2-CD2 4.24Å; F143-L145 HydrophobicContact CE2-CD2 4.28Å; L145-I148 HydrophobicContact CB-CB 4.23Å; L145-I148 WeakPolarHBondContact O-CB 3.2Å; L145-I148 PolarHBondContact O-N 2.9Å; L145-C150 HydrophobicContact CD1-CB 3.59Å; L145-V175 HydrophobicContact CD1-CG1 3.83Å; L145-L183 HydrophobicContact CD2-CD1 4.17Å; L145-L215 HydrophobicContact CD2-CD2 3.8Å | ||
| 146 | H | 85.5 | Confident | 91.1 | Very high | 101 Ų | 101 | 27.4 Ų | 27.4 | 47% | 0.468 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 60.7 | 48.6 | 166.8 | -62.7 | -42.9 | 0 | 0 | 0 | 113.6 | D144 F217 | D144-H146 VanDerWaalsContact C-N 3.32Å; D144-H146 VanDerWaalsContact CG-N 3.26Å; D144-H146 PolarHBondContact OD1-N 3.17Å; D144-H146 IonicContact OD2-CE1 4Å; D144-H146 PolarHBondContact OD2-CE1 3.48Å; D144-H146 IonicContact OD2-CG 2.73Å; D144-H146 IonicContact OD2-ND1 3.42Å; D144-H146 PolarHBondContact OD2-ND1 2.75Å; H146-F217 HydrophobicContact CB-CE2 4.06Å; H146-F217 HydrophobicContact CB-CZ 4.36Å; H146-F217 AromaticContact CD2-CE2 3.72Å |
| 147 | G | 83 | Confident | 91.6 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 63% | 0.629 | 16% | 0.157 | S | C | * | . | S | Bend | trans | 84.5 | 11.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 148 | I | 88.8 | Confident | 91.6 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | trans | -93.1 | 139.8 | 168.7 | -64.3 | 174.6 | 0 | 0 | 0 | 108.9 | T127 L145 T177 L183 F217 | T127-I148 PolarHBondContact OG1-O 2.8Å; L145-I148 HydrophobicContact CB-CB 4.23Å; L145-I148 WeakPolarHBondContact O-CB 3.2Å; L145-I148 PolarHBondContact O-N 2.9Å; I148-T177 HydrophobicContact CG2-CG2 3.34Å; I148-L183 HydrophobicContact CD1-CD1 4.14Å; I148-L183 HydrophobicContact CD1-CD2 4.22Å; I148-L183 HydrophobicContact CG2-CD1 4.44Å; I148-F217 HydrophobicContact CD1-CE1 4.13Å; I148-F217 HydrophobicContact CD1-CZ 4.08Å | ||
| 149 | T | 93.1 | Very high | 91.7 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | trans | -101 | 100.1 | -176 | -39.5 | 0 | 0 | 0 | 0 | 110.7 | L125 T127 S151 T177 E178 E179 | L125-T149 HydrophobicContact CB-CG2 4.14Å; L125-T149 HydrophobicContact CD1-CG2 3.99Å; T127-T149 HydrophobicContact CG2-CG2 4.07Å; T149-S151 PolarHBondContact O-N 3.36Å; T149-T177 CarbonylContact O-C 3.53Å; T149-T177 WeakPolarHBondContact O-CA 3.28Å; T149-T177 WeakPolarHBondContact O-CB 3.44Å; T149-E178 HydrophobicContact CG2-CG 4.09Å; T149-E178 WeakPolarHBondContact CG2-OE2 3.11Å; T149-E178 PolarHBondContact O-N 3.33Å; T149-E179 WeakPolarHBondContact CB-OE1 3.23Å; T149-E179 PolarHBondContact N-OE1 2.83Å; T149-E179 PolarHBondContact OG1-OE1 2.85Å | ||
| 150 | C | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 124 | 178.8 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | R90 C109 T127 L145 V175 A176 | R90-C150 WeakPolarHBondContact CD-O 3.17Å; R90-C150 PolarHBondContact NE-O 3.17Å; C109-C150 VanDerWaalsContact SG-SG 3.61Å; T127-C150 PolarHBondContact OG1-N 2.94Å; L145-C150 HydrophobicContact CD1-CB 3.59Å; C150-V175 HydrophobicContact CB-CG1 3.83Å; C150-V175 VanDerWaalsContact SG-CG1 3.58Å; C150-A176 CarbonylContact C-O 3.56Å; C150-A176 WeakPolarHBondContact CA-O 3.31Å |
| 151 | S | 94 | Very high | 91.9 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -38.7 | 176.4 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | T149 A176 T177 I252 | T149-S151 PolarHBondContact O-N 3.36Å; S151-A176 PolarHBondContact N-O 2.82Å; S151-A176 WeakPolarHBondContact OG-CB 3.39Å; S151-A176 PolarHBondContact OG-O 2.57Å; S151-T177 PolarHBondContact OG-N 2.83Å; S151-I252 VanDerWaalsContact CB-O 3.23Å; S151-I252 WeakPolarHBondContact CB-O 3.29Å; S151-I252 PolarHBondContact OG-O 3.03Å |
| 152 | A | 95.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 37.4 Ų | 37.4 | 12% | 0.116 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 153.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A176 | A152-A176 HydrophobicContact CB-CB 4.09Å; A152-A176 PolarHBondContact O-N 3.36Å |
| 153 | L | 97.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 146.9 | 172.5 | -66.6 | 176.8 | 0 | 0 | 0 | 110.1 | E93 A107 C109 V129 L173 V175 | E93-L153 HydrophobicContact CB-CB 3.72Å; E93-L153 HydrophobicContact CG-CB 4.4Å; A107-L153 HydrophobicContact CB-CD1 3.99Å; C109-L153 HydrophobicContact CB-CD1 4.08Å; C109-L153 HydrophobicContact CB-CG 4.49Å; V129-L153 HydrophobicContact CG2-CD2 4.38Å; L153-L173 HydrophobicContact CB-CD1 4.36Å; L153-L173 HydrophobicContact CD2-CD1 4.36Å; L153-L173 HydrophobicContact CD2-CD2 4.24Å; L153-L173 HydrophobicContact CD2-CG 4.4Å; L153-V175 HydrophobicContact CD2-CB 4.2Å; L153-V175 HydrophobicContact CD2-CG1 3.98Å; L153-V175 HydrophobicContact CD2-CG2 3.79Å |
| 154 | T | 96.9 | Very high | 90.9 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 128 | 170.5 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | E93 A174 L255 | E93-T154 VanDerWaalsContact OE1-CA 3.27Å; E93-T154 WeakPolarHBondContact OE1-CA 3.31Å; T154-A174 PolarHBondContact N-O 2.97Å; T154-A174 WeakPolarHBondContact O-CB 3.21Å; T154-A174 PolarHBondContact O-N 3.35Å; T154-L255 HydrophobicContact CG2-CB 4.5Å; T154-L255 WeakPolarHBondContact OG1-CB 3.29Å |
| 155 | F | 96.6 | Very high | 90.7 | Very high | 24 Ų | 24 | 40 Ų | 40 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.7 | 174.9 | -177 | -101.7 | 0 | 0 | 0 | 110.4 | E93 E94 L95 F96 P97 L187 | E93-F155 HydrophobicContact CG-CB 4.12Å; E93-F155 PolarHBondContact OE1-N 2.86Å; E94-F155 WeakPolarHBondContact O-CB 3.44Å; L95-F155 HydrophobicContact CD2-CB 4.34Å; L95-F155 HydrophobicContact CD2-CD2 3.64Å; L95-F155 HydrophobicContact CD2-CE2 4.37Å; L95-F155 HydrophobicContact CD2-CG 4.29Å; F96-F155 HydrophobicContact CD1-CE1 4.15Å; F96-F155 HydrophobicContact CD1-CE2 4.07Å; F96-F155 AromaticContact CD1-CZ 3.39Å; F96-F155 HydrophobicContact CD1-CZ 3.39Å; F96-F155 AromaticContact CE1-CE2 3.88Å; F96-F155 HydrophobicContact CE1-CE2 3.88Å; F96-F155 AromaticContact CE1-CZ 3.54Å; F96-F155 HydrophobicContact CE1-CZ 3.54Å; F96-F155 HydrophobicContact CG-CZ 4.01Å; F96-F155 HydrophobicContact CZ-CE2 4.12Å; F96-F155 HydrophobicContact CZ-CZ 4.24Å; P97-F155 HydrophobicContact CG-CD1 4.49Å; F155-L187 HydrophobicContact CD2-CD1 4.26Å; F155-L187 HydrophobicContact CE2-CD1 3.98Å |
| 156 | L | 95.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 121.2 | 175.6 | -60.9 | -177.2 | 0 | 0 | 0 | 109.7 | I160 Y161 C172 A174 L184 L278 | L156-I160 HydrophobicContact CB-CD1 4.45Å; L156-I160 HydrophobicContact CD2-CD1 4.06Å; L156-Y161 HydrophobicContact CB-CD1 4.42Å; L156-Y161 WeakPolarHBondContact O-CD1 3.39Å; L156-Y161 WeakPolarHBondContact O-CE1 3.38Å; L156-C172 HydrophobicContact CB-CB 4.25Å; L156-C172 PolarHBondContact N-O 3.04Å; L156-A174 HydrophobicContact CD1-CB 4.27Å; L156-A174 HydrophobicContact CG-CB 4.21Å; L156-L184 HydrophobicContact CD1-CD2 3.9Å; L156-L278 HydrophobicContact CD1-CD1 3.98Å |
| 157 | D | 90.3 | Very high | 90.9 | Very high | 49 Ų | 49 | 44 Ų | 44 | 26% | 0.262 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -58.6 | 148.9 | 175 | -169.8 | -44.4 | 0 | 0 | 0 | 111.5 | R159 I160 Y161 | D157-R159 HydrophobicContact CB-CB 4.47Å; D157-R159 PolarHBondContact O-N 2.89Å; D157-R159 WeakPolarHBondContact OD1-CB 3.21Å; D157-R159 WeakPolarHBondContact OD1-CG 3.36Å; D157-R159 PolarHBondContact OD1-N 2.74Å; D157-R159 IonicContact OD1-NE 3.36Å; D157-R159 PolarHBondContact OD1-NE 3.44Å; D157-R159 IonicContact OD2-CZ 2.82Å; D157-R159 IonicContact OD2-NE 2.74Å; D157-R159 PolarHBondContact OD2-NE 3.42Å; D157-R159 IonicContact OD2-NH2 3.21Å; D157-R159 PolarHBondContact OD2-NH2 2.8Å; D157-I160 HydrophobicContact CB-CD1 4.4Å; D157-I160 HydrophobicContact CB-CG1 4.32Å; D157-I160 WeakPolarHBondContact O-CA 3.45Å; D157-I160 WeakPolarHBondContact O-CB 3.36Å; D157-I160 PolarHBondContact O-N 2.86Å; D157-Y161 WeakPolarHBondContact O-CD1 3.33Å; D157-Y161 PolarHBondContact O-N 3.48Å; D157-Y161 VanDerWaalsContact O-N 3.15Å |
| 158 | K | 89.7 | Confident | 91.3 | Very high | 147 Ų | 147 | 46.5 Ų | 46.5 | 64% | 0.639 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56.6 | -28.7 | 171.5 | -170.7 | -176.8 | 175.3 | -168.4 | 0 | 112.4 | I160 Y161 G162 | K158-I160 PolarHBondContact O-N 3.2Å; K158-Y161 VanDerWaalsContact CA-CE1 3.43Å; K158-Y161 HydrophobicContact CB-CE1 4.1Å; K158-Y161 HydrophobicContact CG-CE2 4.46Å; K158-G162 VanDerWaalsContact O-CA 3.23Å; K158-G162 WeakPolarHBondContact O-CA 3.5Å; K158-G162 PolarHBondContact O-N 2.83Å |
| 159 | R | 87.9 | Confident | 91.5 | Very high | 138 Ų | 138 | 46.2 Ų | 46.2 | 52% | 0.521 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.4 | -18.8 | 169.9 | -67.5 | -180 | -75.7 | -174.2 | -1.9 | 113.5 | D157 L163 | D157-R159 HydrophobicContact CB-CB 4.47Å; D157-R159 PolarHBondContact O-N 2.89Å; D157-R159 WeakPolarHBondContact OD1-CB 3.21Å; D157-R159 WeakPolarHBondContact OD1-CG 3.36Å; D157-R159 PolarHBondContact OD1-N 2.74Å; D157-R159 IonicContact OD1-NE 3.36Å; D157-R159 PolarHBondContact OD1-NE 3.44Å; D157-R159 IonicContact OD2-CZ 2.82Å; D157-R159 IonicContact OD2-NE 2.74Å; D157-R159 PolarHBondContact OD2-NE 3.42Å; D157-R159 IonicContact OD2-NH2 3.21Å; D157-R159 PolarHBondContact OD2-NH2 2.8Å; R159-L163 VanDerWaalsContact O-CD1 3.29Å; R159-L163 WeakPolarHBondContact O-CD1 3.4Å |
| 160 | I | 91.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -95.4 | -66.7 | 173.2 | -52.2 | 174.7 | 0 | 0 | 0 | 109.3 | L156 D157 K158 G162 T164 L278 | L156-I160 HydrophobicContact CB-CD1 4.45Å; L156-I160 HydrophobicContact CD2-CD1 4.06Å; D157-I160 HydrophobicContact CB-CD1 4.4Å; D157-I160 HydrophobicContact CB-CG1 4.32Å; D157-I160 WeakPolarHBondContact O-CA 3.45Å; D157-I160 WeakPolarHBondContact O-CB 3.36Å; D157-I160 PolarHBondContact O-N 2.86Å; K158-I160 PolarHBondContact O-N 3.2Å; I160-G162 PolarHBondContact O-N 3.34Å; I160-T164 WeakPolarHBondContact O-CG2 3.44Å; I160-L278 HydrophobicContact CG2-CD1 4.03Å |
| 161 | Y | 91.5 | Very high | 91.4 | Very high | 15 Ų | 15 | 49 Ų | 49 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.2 | -19.6 | -169.2 | 73.6 | -100.1 | 0 | 0 | 0 | 114.5 | L156 D157 K158 L163 T164 L166 R167 F169 G171 C172 | L156-Y161 HydrophobicContact CB-CD1 4.42Å; L156-Y161 WeakPolarHBondContact O-CD1 3.39Å; L156-Y161 WeakPolarHBondContact O-CE1 3.38Å; D157-Y161 WeakPolarHBondContact O-CD1 3.33Å; D157-Y161 PolarHBondContact O-N 3.48Å; D157-Y161 VanDerWaalsContact O-N 3.15Å; K158-Y161 VanDerWaalsContact CA-CE1 3.43Å; K158-Y161 HydrophobicContact CB-CE1 4.1Å; K158-Y161 HydrophobicContact CG-CE2 4.46Å; Y161-L163 PolarHBondContact O-N 3.34Å; Y161-T164 PolarHBondContact O-N 3.04Å; Y161-T164 PolarHBondContact O-OG1 3.15Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; Y161-L166 CarbonylContact O-C 3.6Å; Y161-R167 WeakPolarHBondContact O-CA 3.43Å; Y161-R167 PolarHBondContact O-N 2.74Å; Y161-R167 VanDerWaalsContact O-N 3.13Å; Y161-F169 HydrophobicContact CD2-CB 3.95Å; Y161-F169 HydrophobicContact CE2-CB 3.95Å; Y161-F169 WeakPolarHBondContact CE2-O 3.27Å; Y161-G171 PolarHBondContact OH-N 2.89Å; Y161-C172 HydrophobicContact CD1-CB 3.44Å; Y161-C172 VanDerWaalsContact CD1-CB 3.44Å; Y161-C172 HydrophobicContact CD2-CB 4.41Å; Y161-C172 HydrophobicContact CE1-CB 3.8Å; Y161-C172 HydrophobicContact CG-CB 3.79Å |
| 162 | G | 88.6 | Confident | 91.5 | Very high | 26 Ų | 26 | 48 Ų | 48 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K158 I160 R167 | K158-G162 VanDerWaalsContact O-CA 3.23Å; K158-G162 WeakPolarHBondContact O-CA 3.5Å; K158-G162 PolarHBondContact O-N 2.83Å; I160-G162 PolarHBondContact O-N 3.34Å; G162-R167 WeakPolarHBondContact O-CB 3.32Å |
| 163 | L | 78 | Confident | 91.6 | Very high | 56 Ų | 56 | 47.4 Ų | 47.4 | 29% | 0.293 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -10.1 | -175.7 | -56.8 | 168.6 | 0 | 0 | 0 | 112.8 | R159 Y161 P262 R350 | R159-L163 VanDerWaalsContact O-CD1 3.29Å; R159-L163 WeakPolarHBondContact O-CD1 3.4Å; Y161-L163 PolarHBondContact O-N 3.34Å; L163-P262 HydrophobicContact CD1-CB 4.5Å; L163-P262 HydrophobicContact CD1-CG 3.81Å; L163-R350 VanDerWaalsContact CD2-NH2 3.26Å |
| 164 | T | 87.8 | Confident | 91.6 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -107 | -172.6 | -169.6 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | I160 Y161 L166 R167 P262 L278 I279 | I160-T164 WeakPolarHBondContact O-CG2 3.44Å; Y161-T164 PolarHBondContact O-N 3.04Å; Y161-T164 PolarHBondContact O-OG1 3.15Å; Y161-T164 VanDerWaalsContact O-OG1 3.13Å; T164-L166 PolarHBondContact O-N 3.38Å; T164-L166 VanDerWaalsContact O-N 3.12Å; T164-L166 WeakPolarHBondContact OG1-CB 3.47Å; T164-L166 PolarHBondContact OG1-N 2.82Å; T164-R167 WeakPolarHBondContact O-CB 3.41Å; T164-R167 WeakPolarHBondContact O-CG 3.25Å; T164-R167 PolarHBondContact O-N 3.1Å; T164-R167 VanDerWaalsContact O-N 3.1Å; T164-P262 HydrophobicContact CG2-CB 4.12Å; T164-L278 VanDerWaalsContact CB-O 3.26Å; T164-L278 WeakPolarHBondContact CB-O 3.37Å; T164-L278 HydrophobicContact CG2-CB 3.69Å; T164-I279 HydrophobicContact CG2-CG1 4.11Å |
| 165 | R | 85.8 | Confident | 91.6 | Very high | 107 Ų | 107 | 46 Ų | 46 | 40% | 0.404 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.3 | 173 | -50.1 | -179.6 | -162.6 | -142.5 | 1.5 | 111.7 | R167 L227 I279 F281 | R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.01Å; R165-L227 WeakPolarHBondContact O-CD2 3.2Å; R165-I279 PolarHBondContact NE-O 2.87Å; R165-I279 VanDerWaalsContact NE-O 3.09Å; R165-I279 PolarHBondContact NH2-O 2.9Å; R165-F281 HydrophobicContact CB-CE2 3.76Å; R165-F281 HydrophobicContact CB-CZ 4.25Å; R165-F281 HydrophobicContact CG-CD2 4.35Å; R165-F281 HydrophobicContact CG-CE2 3.74Å |
| 166 | L | 91.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -1.8 | 178.2 | -52.1 | 177.9 | 0 | 0 | 0 | 113.9 | Y161 T164 R168 F169 L184 L227 V243 L278 F281 | Y161-L166 CarbonylContact O-C 3.6Å; T164-L166 PolarHBondContact O-N 3.38Å; T164-L166 VanDerWaalsContact O-N 3.12Å; T164-L166 WeakPolarHBondContact OG1-CB 3.47Å; T164-L166 PolarHBondContact OG1-N 2.82Å; L166-R168 PolarHBondContact O-N 3.13Å; L166-F169 HydrophobicContact CB-CD1 4.28Å; L166-F169 HydrophobicContact CB-CG 4.28Å; L166-F169 HydrophobicContact CD2-CD1 4.5Å; L166-F169 HydrophobicContact CD2-CE1 3.97Å; L166-F169 HydrophobicContact CD2-CE2 4.17Å; L166-F169 HydrophobicContact CD2-CZ 3.81Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 WeakPolarHBondContact O-CD1 3.39Å; L166-F169 WeakPolarHBondContact O-CG 3.42Å; L166-F169 PolarHBondContact O-N 2.91Å; L166-L184 HydrophobicContact CD1-CB 4.47Å; L166-L184 HydrophobicContact CD1-CD1 3.59Å; L166-L227 HydrophobicContact CD2-CD2 4.06Å; L166-V243 HydrophobicContact CD2-CG2 4.18Å; L166-L278 HydrophobicContact CD1-CD2 4.46Å; L166-F281 HydrophobicContact CD1-CZ 4.47Å; L166-F281 HydrophobicContact CD2-CE1 4.49Å; L166-F281 HydrophobicContact CD2-CZ 3.93Å; L166-F281 HydrophobicContact CG-CZ 4.01Å |
| 167 | R | 90.3 | Very high | 91.6 | Very high | 186 Ų | 186 | 44.8 Ų | 44.8 | 70% | 0.702 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -13.6 | -174.4 | 67.6 | 179.9 | -178.5 | 162.6 | -0.2 | 117.7 | Y161 G162 T164 R165 | Y161-R167 WeakPolarHBondContact O-CA 3.43Å; Y161-R167 PolarHBondContact O-N 2.74Å; Y161-R167 VanDerWaalsContact O-N 3.13Å; G162-R167 WeakPolarHBondContact O-CB 3.32Å; T164-R167 WeakPolarHBondContact O-CB 3.41Å; T164-R167 WeakPolarHBondContact O-CG 3.25Å; T164-R167 PolarHBondContact O-N 3.1Å; T164-R167 VanDerWaalsContact O-N 3.1Å; R165-R167 VanDerWaalsContact C-N 3.28Å; R165-R167 PolarHBondContact O-N 3.01Å |
| 168 | R | 91.1 | Very high | 91.7 | Very high | 114 Ų | 114 | 45.7 Ų | 45.7 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.4 | 174.6 | -64.1 | -172.2 | 69.2 | -165.6 | -4.5 | 113.7 | L166 S228 L231 T232 R235 | L166-R168 PolarHBondContact O-N 3.13Å; R168-S228 WeakPolarHBondContact CD-OG 3Å; R168-S228 PolarHBondContact NH1-O 3.49Å; R168-S228 PolarHBondContact NH1-OG 2.92Å; R168-L231 HydrophobicContact CB-CD2 3.62Å; R168-T232 PolarHBondContact NH2-OG1 3.32Å; R168-R235 VanDerWaalsContact O-CZ 3.3Å; R168-R235 PolarHBondContact O-NH1 3.02Å; R168-R235 PolarHBondContact O-NH2 2.88Å |
| 169 | F | 94 | Very high | 91.8 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.035 | 18% | 0.182 | C | C | . | . | trans | -64.5 | 155.4 | 175.7 | -79.7 | 34.9 | 0 | 0 | 0 | 110.3 | Y161 L166 C172 D186 L227 L231 V243 | Y161-F169 HydrophobicContact CD2-CB 3.95Å; Y161-F169 HydrophobicContact CE2-CB 3.95Å; Y161-F169 WeakPolarHBondContact CE2-O 3.27Å; L166-F169 HydrophobicContact CB-CD1 4.28Å; L166-F169 HydrophobicContact CB-CG 4.28Å; L166-F169 HydrophobicContact CD2-CD1 4.5Å; L166-F169 HydrophobicContact CD2-CE1 3.97Å; L166-F169 HydrophobicContact CD2-CE2 4.17Å; L166-F169 HydrophobicContact CD2-CZ 3.81Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 WeakPolarHBondContact O-CD1 3.39Å; L166-F169 WeakPolarHBondContact O-CG 3.42Å; L166-F169 PolarHBondContact O-N 2.91Å; F169-C172 HydrophobicContact CD2-CB 4.12Å; F169-D186 WeakPolarHBondContact CA-OD1 3.13Å; F169-D186 HydrophobicContact CD1-CB 4.28Å; F169-D186 HydrophobicContact CD2-CB 3.77Å; F169-D186 HydrophobicContact CE1-CB 4.35Å; F169-D186 HydrophobicContact CE2-CB 3.86Å; F169-D186 HydrophobicContact CG-CB 3.98Å; F169-D186 HydrophobicContact CZ-CB 4.14Å; F169-L227 HydrophobicContact CE1-CD1 4.31Å; F169-L227 HydrophobicContact CE1-CD2 4.24Å; F169-L227 HydrophobicContact CE1-CG 4.5Å; F169-L231 HydrophobicContact CD1-CD1 4.21Å; F169-L231 HydrophobicContact CD1-CD2 4.2Å; F169-L231 HydrophobicContact CE1-CD1 4.04Å; F169-L231 HydrophobicContact CE1-CD2 4.44Å; F169-V243 HydrophobicContact CZ-CG2 4.15Å | ||
| 170 | K | 92.2 | Very high | 92 | Very high | 77 Ų | 77 | 35.7 Ų | 35.7 | 34% | 0.335 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -131 | 77.7 | -173.8 | -79.6 | -174.5 | 169.5 | -161.1 | 0 | 107.6 | D186 N188 S189 D190 | K170-D186 PolarHBondContact N-OD1 2.86Å; K170-N188 PolarHBondContact O-N 2.92Å; K170-S189 WeakPolarHBondContact CB-OG 3.45Å; K170-S189 WeakPolarHBondContact O-CB 3.48Å; K170-S189 PolarHBondContact O-N 3.37Å; K170-S189 PolarHBondContact O-OG 3.26Å; K170-D190 WeakPolarHBondContact CD-OD1 3.47Å; K170-D190 IonicContact NZ-OD1 2.76Å; K170-D190 IonicContact NZ-OD2 3.38Å; K170-D190 PolarHBondContact NZ-OD2 3.25Å |
| 171 | G | 93.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 78.2 | 131.3 | -156.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y161 L187 | Y161-G171 PolarHBondContact OH-N 2.89Å; G171-L187 PolarHBondContact O-N 3.06Å |
| 172 | C | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 113.2 | 179.8 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | L156 Y161 F169 V185 | L156-C172 HydrophobicContact CB-CB 4.25Å; L156-C172 PolarHBondContact N-O 3.04Å; Y161-C172 HydrophobicContact CD1-CB 3.44Å; Y161-C172 VanDerWaalsContact CD1-CB 3.44Å; Y161-C172 HydrophobicContact CD2-CB 4.41Å; Y161-C172 HydrophobicContact CE1-CB 3.8Å; Y161-C172 HydrophobicContact CG-CB 3.79Å; F169-C172 HydrophobicContact CD2-CB 4.12Å; C172-V185 WeakPolarHBondContact CA-O 3.44Å |
| 173 | L | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.2 | 175.4 | 178.7 | 65.2 | 0 | 0 | 0 | 108.9 | E93 L95 A107 V129 L153 V175 V185 L187 | E93-L173 HydrophobicContact CG-CD1 4.46Å; L95-L173 HydrophobicContact CD2-CD1 4.26Å; A107-L173 HydrophobicContact CB-CD1 4.05Å; A107-L173 HydrophobicContact CB-CD2 3.67Å; V129-L173 HydrophobicContact CG1-CD2 4.12Å; L153-L173 HydrophobicContact CB-CD1 4.36Å; L153-L173 HydrophobicContact CD2-CD1 4.36Å; L153-L173 HydrophobicContact CD2-CD2 4.24Å; L153-L173 HydrophobicContact CD2-CG 4.4Å; L173-V175 HydrophobicContact CD2-CG2 4.45Å; L173-V175 HydrophobicContact CG-CG2 4.33Å; L173-V185 HydrophobicContact CB-CB 4.47Å; L173-V185 PolarHBondContact N-O 3.09Å; L173-V185 PolarHBondContact O-N 3.23Å; L173-L187 HydrophobicContact CB-CD1 4.32Å; L173-L187 HydrophobicContact CB-CD2 3.87Å; L173-L187 HydrophobicContact CB-CG 4.17Å; L173-L187 HydrophobicContact CD2-CD2 4.19Å |
| 174 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T154 L156 V182 L183 L184 L255 | T154-A174 PolarHBondContact N-O 2.97Å; T154-A174 WeakPolarHBondContact O-CB 3.21Å; T154-A174 PolarHBondContact O-N 3.35Å; L156-A174 HydrophobicContact CD1-CB 4.27Å; L156-A174 HydrophobicContact CG-CB 4.21Å; A174-V182 HydrophobicContact CB-CG1 4.31Å; A174-L183 WeakPolarHBondContact CA-O 3.46Å; A174-L184 HydrophobicContact CB-CD2 3.6Å; A174-L255 HydrophobicContact CB-CD1 3.81Å |
| 175 | V | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 113.2 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 107.4 | L145 C150 L153 L173 V182 L183 V185 | L145-V175 HydrophobicContact CD1-CG1 3.83Å; C150-V175 HydrophobicContact CB-CG1 3.83Å; C150-V175 VanDerWaalsContact SG-CG1 3.58Å; L153-V175 HydrophobicContact CD2-CB 4.2Å; L153-V175 HydrophobicContact CD2-CG1 3.98Å; L153-V175 HydrophobicContact CD2-CG2 3.79Å; L173-V175 HydrophobicContact CD2-CG2 4.45Å; L173-V175 HydrophobicContact CG-CG2 4.33Å; V175-V182 CarbonylContact O-C 3.49Å; V175-V182 VanDerWaalsContact O-CA 3.32Å; V175-V182 WeakPolarHBondContact O-CA 3.02Å; V175-L183 HydrophobicContact CB-CB 4.14Å; V175-L183 PolarHBondContact N-O 3.13Å; V175-L183 PolarHBondContact O-N 2.89Å; V175-V185 HydrophobicContact CG2-CG2 4.09Å |
| 176 | A | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 153.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C150 S151 A152 I252 L255 | C150-A176 CarbonylContact C-O 3.56Å; C150-A176 WeakPolarHBondContact CA-O 3.31Å; S151-A176 PolarHBondContact N-O 2.82Å; S151-A176 WeakPolarHBondContact OG-CB 3.39Å; S151-A176 PolarHBondContact OG-O 2.57Å; A152-A176 HydrophobicContact CB-CB 4.09Å; A152-A176 PolarHBondContact O-N 3.36Å; A176-I252 HydrophobicContact CB-CB 3.96Å; A176-I252 HydrophobicContact CB-CG2 3.68Å; A176-L255 HydrophobicContact CB-CD1 3.68Å; A176-L255 HydrophobicContact CB-CG 3.93Å |
| 177 | T | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 155.2 | -174.4 | 89.6 | 0 | 0 | 0 | 0 | 113.4 | I148 T149 S151 E179 G180 T181 I252 | I148-T177 HydrophobicContact CG2-CG2 3.34Å; T149-T177 CarbonylContact O-C 3.53Å; T149-T177 WeakPolarHBondContact O-CA 3.28Å; T149-T177 WeakPolarHBondContact O-CB 3.44Å; S151-T177 PolarHBondContact OG-N 2.83Å; T177-E179 WeakPolarHBondContact CB-OE2 3.09Å; T177-E179 PolarHBondContact O-N 2.87Å; T177-E179 PolarHBondContact OG1-OE2 2.8Å; T177-G180 PolarHBondContact O-N 3.43Å; T177-G180 VanDerWaalsContact O-N 3.14Å; T177-T181 WeakPolarHBondContact CG2-O 3.25Å; T177-T181 VanDerWaalsContact CG2-OG1 3.25Å; T177-T181 WeakPolarHBondContact CG2-OG1 3.48Å; T177-T181 PolarHBondContact N-O 2.88Å; T177-T181 PolarHBondContact OG1-N 3.15Å; T177-T181 VanDerWaalsContact OG1-N 3.12Å; T177-T181 PolarHBondContact OG1-O 2.94Å; T177-T181 PolarHBondContact OG1-OG1 2.72Å; T177-I252 PolarHBondContact O-N 2.98Å |
| 178 | E | 92.3 | Very high | 94.6 | Very high | 69 Ų | 69 | 17.3 Ų | 17.3 | 32% | 0.322 | 8% | 0.076 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -22.7 | 178.7 | -62.9 | -173.1 | 170.8 | 0 | 0 | 112.6 | R90 T149 G180 G251 | R90-E178 IonicContact CZ-OE1 2.68Å; R90-E178 VanDerWaalsContact CZ-OE1 3.31Å; R90-E178 IonicContact NH1-OE1 3.45Å; R90-E178 IonicContact NH2-OE1 2.81Å; R90-E178 PolarHBondContact NH2-OE1 2.88Å; T149-E178 HydrophobicContact CG2-CG 4.09Å; T149-E178 WeakPolarHBondContact CG2-OE2 3.11Å; T149-E178 PolarHBondContact O-N 3.33Å; E178-G180 PolarHBondContact O-N 2.89Å; E178-G251 WeakPolarHBondContact O-CA 3.49Å; E178-G251 PolarHBondContact O-N 3.19Å; E178-G251 VanDerWaalsContact O-N 3.16Å |
| 179 | E | 91.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 12.1 Ų | 12.1 | 35% | 0.35 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.6 | 174.7 | -41.8 | 79.3 | -173.5 | 0 | 0 | 112.8 | T149 T177 | T149-E179 WeakPolarHBondContact CB-OE1 3.23Å; T149-E179 PolarHBondContact N-OE1 2.83Å; T149-E179 PolarHBondContact OG1-OE1 2.85Å; T177-E179 WeakPolarHBondContact CB-OE2 3.09Å; T177-E179 PolarHBondContact O-N 2.87Å; T177-E179 PolarHBondContact OG1-OE2 2.8Å |
| 180 | G | 93.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 86.8 | 18.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | T177 E178 V247 A248 I250 | T177-G180 PolarHBondContact O-N 3.43Å; T177-G180 VanDerWaalsContact O-N 3.14Å; E178-G180 PolarHBondContact O-N 2.89Å; G180-V247 PolarHBondContact O-N 3Å; G180-V247 VanDerWaalsContact O-N 3.12Å; G180-A248 PolarHBondContact O-N 2.94Å; G180-I250 WeakPolarHBondContact CA-O 3.1Å |
| 181 | T | 94.8 | Very high | 93.9 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 160.3 | -179.8 | 79.5 | 0 | 0 | 0 | 0 | 112 | T177 M245 D246 I252 | T177-T181 WeakPolarHBondContact CG2-O 3.25Å; T177-T181 VanDerWaalsContact CG2-OG1 3.25Å; T177-T181 WeakPolarHBondContact CG2-OG1 3.48Å; T177-T181 PolarHBondContact N-O 2.88Å; T177-T181 PolarHBondContact OG1-N 3.15Å; T177-T181 VanDerWaalsContact OG1-N 3.12Å; T177-T181 PolarHBondContact OG1-O 2.94Å; T177-T181 PolarHBondContact OG1-OG1 2.72Å; T181-M245 CarbonylContact C-O 3.51Å; T181-M245 WeakPolarHBondContact CA-O 3.35Å; T181-D246 VanDerWaalsContact CG2-OD1 3.27Å; T181-D246 WeakPolarHBondContact CG2-OD1 3.44Å; T181-I252 WeakPolarHBondContact O-CD1 3.2Å |
| 182 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.6 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | A174 V175 L184 M245 V247 I252 L255 Y264 | A174-V182 HydrophobicContact CB-CG1 4.31Å; V175-V182 CarbonylContact O-C 3.49Å; V175-V182 VanDerWaalsContact O-CA 3.32Å; V175-V182 WeakPolarHBondContact O-CA 3.02Å; V182-L184 HydrophobicContact CG1-CD2 3.74Å; V182-L184 HydrophobicContact CG1-CG 4.32Å; V182-M245 PolarHBondContact N-O 2.65Å; V182-M245 PolarHBondContact O-N 3.08Å; V182-V247 HydrophobicContact CB-CG2 4.1Å; V182-V247 HydrophobicContact CG2-CB 4.49Å; V182-V247 HydrophobicContact CG2-CG2 3.82Å; V182-I252 HydrophobicContact CG2-CD1 3.55Å; V182-L255 HydrophobicContact CG1-CD1 4.43Å; V182-L255 HydrophobicContact CG2-CD2 4.4Å; V182-Y264 HydrophobicContact CG1-CE1 4.18Å; V182-Y264 HydrophobicContact CG2-CE2 4.14Å |
| 183 | L | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.9 | 171.8 | -50.2 | 172.6 | 0 | 0 | 0 | 108.8 | L145 I148 A174 V175 V185 F217 V243 R244 | L145-L183 HydrophobicContact CD2-CD1 4.17Å; I148-L183 HydrophobicContact CD1-CD1 4.14Å; I148-L183 HydrophobicContact CD1-CD2 4.22Å; I148-L183 HydrophobicContact CG2-CD1 4.44Å; A174-L183 WeakPolarHBondContact CA-O 3.46Å; V175-L183 HydrophobicContact CB-CB 4.14Å; V175-L183 PolarHBondContact N-O 3.13Å; V175-L183 PolarHBondContact O-N 2.89Å; L183-V185 HydrophobicContact CB-CG2 4.32Å; L183-F217 HydrophobicContact CD1-CE1 3.98Å; L183-F217 HydrophobicContact CD2-CD1 4.16Å; L183-F217 HydrophobicContact CD2-CE1 3.94Å; L183-V243 WeakPolarHBondContact CA-O 3.24Å; L183-R244 HydrophobicContact CD2-CB 3.81Å; L183-R244 HydrophobicContact CD2-CG 3.94Å |
| 184 | L | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 105.2 | 173.7 | -58.3 | -176.2 | 0 | 0 | 0 | 109.5 | L156 L166 A174 V182 A242 V243 M245 Y264 L278 | L156-L184 HydrophobicContact CD1-CD2 3.9Å; L166-L184 HydrophobicContact CD1-CB 4.47Å; L166-L184 HydrophobicContact CD1-CD1 3.59Å; A174-L184 HydrophobicContact CB-CD2 3.6Å; V182-L184 HydrophobicContact CG1-CD2 3.74Å; V182-L184 HydrophobicContact CG1-CG 4.32Å; L184-A242 WeakPolarHBondContact O-CA 3.41Å; L184-V243 HydrophobicContact CB-CB 4.45Å; L184-V243 PolarHBondContact N-O 2.84Å; L184-V243 PolarHBondContact O-N 2.85Å; L184-M245 HydrophobicContact CD1-CE 4.31Å; L184-M245 HydrophobicContact CD1-SD 3.41Å; L184-M245 WeakPolarHBondContact CD1-SD 3.39Å; L184-M245 HydrophobicContact CG-SD 3.83Å; L184-Y264 HydrophobicContact CD1-CE1 4.47Å; L184-Y264 HydrophobicContact CD2-CE1 4.27Å; L184-L278 HydrophobicContact CD1-CD1 4.44Å; L184-L278 HydrophobicContact CD1-CD2 3.47Å; L184-L278 VanDerWaalsContact CD1-CD2 3.47Å |
| 185 | V | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.6 | -169.4 | -172.6 | 0 | 0 | 0 | 0 | 111.3 | F143 C172 L173 V175 L183 L187 L215 H240 L241 A242 | F143-V185 HydrophobicContact CE2-CG1 4.31Å; F143-V185 HydrophobicContact CZ-CG1 4.15Å; C172-V185 WeakPolarHBondContact CA-O 3.44Å; L173-V185 HydrophobicContact CB-CB 4.47Å; L173-V185 PolarHBondContact N-O 3.09Å; L173-V185 PolarHBondContact O-N 3.23Å; V175-V185 HydrophobicContact CG2-CG2 4.09Å; L183-V185 HydrophobicContact CB-CG2 4.32Å; V185-L187 PolarHBondContact O-N 3.11Å; V185-L215 HydrophobicContact CG1-CD1 3.96Å; V185-H240 HydrophobicContact CG1-CB 4.2Å; V185-L241 WeakPolarHBondContact CA-O 3.41Å; V185-A242 HydrophobicContact CG2-CB 4.14Å |
| 186 | D | 95.4 | Very high | 89 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 113.5 | 166.2 | 178 | 49.4 | 0 | 0 | 0 | 110 | F169 K170 N188 L231 R235 H240 L241 | F169-D186 WeakPolarHBondContact CA-OD1 3.13Å; F169-D186 HydrophobicContact CD1-CB 4.28Å; F169-D186 HydrophobicContact CD2-CB 3.77Å; F169-D186 HydrophobicContact CE1-CB 4.35Å; F169-D186 HydrophobicContact CE2-CB 3.86Å; F169-D186 HydrophobicContact CG-CB 3.98Å; F169-D186 HydrophobicContact CZ-CB 4.14Å; K170-D186 PolarHBondContact N-OD1 2.86Å; D186-N188 VanDerWaalsContact C-N 3.25Å; D186-N188 PolarHBondContact O-N 2.95Å; D186-N188 PolarHBondContact OD1-N 3.12Å; D186-L231 HydrophobicContact CB-CD1 3.83Å; D186-L231 WeakPolarHBondContact OD2-CD1 3.29Å; D186-R235 IonicContact OD1-CZ 2.69Å; D186-R235 IonicContact OD1-NH2 3.7Å; D186-R235 PolarHBondContact OD1-NH2 3.16Å; D186-R235 IonicContact OD2-CZ 2.75Å; D186-R235 IonicContact OD2-NE 3.48Å; D186-R235 PolarHBondContact OD2-NE 3.31Å; D186-R235 IonicContact OD2-NH2 2.74Å; D186-R235 PolarHBondContact OD2-NH2 3.13Å; D186-H240 PolarHBondContact O-ND1 3.29Å; D186-L241 HydrophobicContact CB-CB 4.45Å; D186-L241 PolarHBondContact N-O 3.39Å |
| 187 | L | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -72.1 | -22.1 | 178.8 | -64.8 | 178.1 | 0 | 0 | 0 | 112.6 | L95 F96 I131 R141 F155 G171 L173 V185 L192 H240 | L95-L187 HydrophobicContact CD1-CD1 4.23Å; L95-L187 HydrophobicContact CD2-CD1 3.89Å; F96-L187 HydrophobicContact CZ-CD1 4.24Å; I131-L187 HydrophobicContact CD1-CD2 3.8Å; R141-L187 PolarHBondContact NH2-O 3.37Å; F155-L187 HydrophobicContact CD2-CD1 4.26Å; F155-L187 HydrophobicContact CE2-CD1 3.98Å; G171-L187 PolarHBondContact O-N 3.06Å; L173-L187 HydrophobicContact CB-CD1 4.32Å; L173-L187 HydrophobicContact CB-CD2 3.87Å; L173-L187 HydrophobicContact CB-CG 4.17Å; L173-L187 HydrophobicContact CD2-CD2 4.19Å; V185-L187 PolarHBondContact O-N 3.11Å; L187-L192 HydrophobicContact CB-CD1 4.24Å; L187-L192 WeakPolarHBondContact O-CD1 3.23Å; L187-H240 PolarHBondContact O-CE1 2.84Å | ||
| 188 | N | 91.2 | Very high | 85.8 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | trans | 53.5 | 53.5 | -172.6 | -168.9 | 30.7 | 0 | 0 | 0 | 111.6 | K170 D186 D190 S191 R235 | K170-N188 PolarHBondContact O-N 2.92Å; D186-N188 VanDerWaalsContact C-N 3.25Å; D186-N188 PolarHBondContact O-N 2.95Å; D186-N188 PolarHBondContact OD1-N 3.12Å; N188-D190 PolarHBondContact O-N 3.46Å; N188-S191 WeakPolarHBondContact ND2-CB 3.11Å; N188-S191 WeakPolarHBondContact O-CB 3.41Å; N188-S191 PolarHBondContact O-N 3.14Å; N188-R235 HydrophobicContact CB-CG 4.38Å; N188-R235 WeakPolarHBondContact OD1-CD 3.41Å; N188-R235 PolarHBondContact OD1-NE 3.45Å | ||
| 189 | S | 88.5 | Confident | 84 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -42.2 | -43.5 | -170.4 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | K170 S191 L192 Q193 | K170-S189 WeakPolarHBondContact CB-OG 3.45Å; K170-S189 WeakPolarHBondContact O-CB 3.48Å; K170-S189 PolarHBondContact O-N 3.37Å; K170-S189 PolarHBondContact O-OG 3.26Å; S189-S191 VanDerWaalsContact C-N 3.25Å; S189-S191 PolarHBondContact O-N 3.1Å; S189-L192 WeakPolarHBondContact O-CA 3.33Å; S189-L192 WeakPolarHBondContact O-CB 3.33Å; S189-L192 PolarHBondContact O-N 3.08Å; S189-Q193 WeakPolarHBondContact O-CG 3.26Å; S189-Q193 PolarHBondContact O-N 2.79Å |
| 190 | D | 86.6 | Confident | 82.1 | Confident | 75 Ų | 75 | 36.8 Ų | 36.8 | 40% | 0.401 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64 | -33.9 | -175.1 | -52.1 | 23.8 | 0 | 0 | 0 | 111.3 | K170 N188 L192 A194 | K170-D190 WeakPolarHBondContact CD-OD1 3.47Å; K170-D190 IonicContact NZ-OD1 2.76Å; K170-D190 IonicContact NZ-OD2 3.38Å; K170-D190 PolarHBondContact NZ-OD2 3.25Å; N188-D190 PolarHBondContact O-N 3.46Å; D190-L192 VanDerWaalsContact C-N 3.32Å; D190-A194 VanDerWaalsContact O-CB 3.29Å; D190-A194 WeakPolarHBondContact O-CB 3.15Å; D190-A194 PolarHBondContact O-N 3.48Å |
| 191 | S | 86.1 | Confident | 80 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -72.5 | -26.1 | 175 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | N188 S189 S195 | N188-S191 WeakPolarHBondContact ND2-CB 3.11Å; N188-S191 WeakPolarHBondContact O-CB 3.41Å; N188-S191 PolarHBondContact O-N 3.14Å; S189-S191 VanDerWaalsContact C-N 3.25Å; S189-S191 PolarHBondContact O-N 3.1Å; S191-S195 PolarHBondContact O-N 2.66Å |
| 192 | L | 84.9 | Confident | 77.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -79.3 | -41.3 | 174.7 | -64.5 | 165.4 | 0 | 0 | 0 | 110.5 | I131 L140 R141 L187 S189 D190 A194 S195 T196 | I131-L192 HydrophobicContact CB-CD2 4.5Å; I131-L192 HydrophobicContact CG2-CD1 4.08Å; I131-L192 HydrophobicContact CG2-CD2 4.26Å; L140-L192 HydrophobicContact CB-CD2 3.96Å; L140-L192 HydrophobicContact CD1-CB 4.1Å; L140-L192 HydrophobicContact CD1-CD2 4.31Å; R141-L192 HydrophobicContact CB-CD2 4.34Å; R141-L192 HydrophobicContact CG-CD2 4Å; L187-L192 HydrophobicContact CB-CD1 4.24Å; L187-L192 WeakPolarHBondContact O-CD1 3.23Å; S189-L192 WeakPolarHBondContact O-CA 3.33Å; S189-L192 WeakPolarHBondContact O-CB 3.33Å; S189-L192 PolarHBondContact O-N 3.08Å; D190-L192 VanDerWaalsContact C-N 3.32Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.28Å; L192-S195 PolarHBondContact O-N 2.65Å; L192-S195 PolarHBondContact O-OG 3.09Å; L192-T196 PolarHBondContact O-N 3.26Å; L192-T196 VanDerWaalsContact O-N 3.08Å; L192-T196 PolarHBondContact O-OG1 2.8Å; L192-T196 VanDerWaalsContact O-OG1 3.04Å |
| 193 | Q | 79.4 | Confident | 74.7 | Confident | 47 Ų | 47 | 53.4 Ų | 53.4 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 174.7 | -69.3 | 173.4 | 5.5 | 0 | 0 | 111.7 | R102 S189 S195 T196 Q197 | R102-Q193 VanDerWaalsContact NE-NE2 3.18Å; S189-Q193 WeakPolarHBondContact O-CG 3.26Å; S189-Q193 PolarHBondContact O-N 2.79Å; Q193-S195 VanDerWaalsContact C-N 3.34Å; Q193-S195 PolarHBondContact O-N 3.01Å; Q193-T196 PolarHBondContact O-N 3.39Å; Q193-Q197 WeakPolarHBondContact O-CG 3.18Å; Q193-Q197 PolarHBondContact O-N 2.99Å |
| 194 | A | 77.1 | Confident | 72.1 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D190 L192 R198 | D190-A194 VanDerWaalsContact O-CB 3.29Å; D190-A194 WeakPolarHBondContact O-CB 3.15Å; D190-A194 PolarHBondContact O-N 3.48Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.28Å; A194-R198 WeakPolarHBondContact O-CB 2.96Å; A194-R198 VanDerWaalsContact O-CG 3.3Å; A194-R198 WeakPolarHBondContact O-CG 3.29Å; A194-R198 PolarHBondContact O-N 3.1Å; A194-R198 VanDerWaalsContact O-N 3.13Å |
| 195 | S | 70.8 | Confident | 69.1 | Low | 32 Ų | 32 | 64.5 Ų | 64.5 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -75.1 | -40 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 112 | S191 L192 Q193 Q197 R198 R199 | S191-S195 PolarHBondContact O-N 2.66Å; L192-S195 PolarHBondContact O-N 2.65Å; L192-S195 PolarHBondContact O-OG 3.09Å; Q193-S195 VanDerWaalsContact C-N 3.34Å; Q193-S195 PolarHBondContact O-N 3.01Å; S195-Q197 PolarHBondContact O-N 3.19Å; S195-R198 PolarHBondContact O-N 2.89Å; S195-R199 PolarHBondContact O-N 2.99Å |
| 196 | T | 67.7 | Low | 66.5 | Low | 13 Ų | 13 | 68.1 Ų | 68.1 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 172.4 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | L140 L192 Q193 S200 | L140-T196 WeakPolarHBondContact CD1-OG1 3.14Å; L192-T196 PolarHBondContact O-N 3.26Å; L192-T196 VanDerWaalsContact O-N 3.08Å; L192-T196 PolarHBondContact O-OG1 2.8Å; L192-T196 VanDerWaalsContact O-OG1 3.04Å; Q193-T196 PolarHBondContact O-N 3.39Å; T196-S200 PolarHBondContact O-N 3.32Å |
| 197 | Q | 65.4 | Low | 64.2 | Low | 143 Ų | 143 | 77.9 Ų | 77.9 | 67% | 0.668 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.3 | -46.5 | 177.6 | -73.1 | 179.9 | -5.8 | 0 | 0 | 112.4 | Q193 S195 S200 | Q193-Q197 WeakPolarHBondContact O-CG 3.18Å; Q193-Q197 PolarHBondContact O-N 2.99Å; S195-Q197 PolarHBondContact O-N 3.19Å; Q197-S200 PolarHBondContact O-N 2.72Å |
| 198 | R | 58.1 | Low | 62.2 | Low | 198 Ų | 198 | 82.4 Ų | 82.4 | 75% | 0.747 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.2 | -43.5 | -178.9 | -76.8 | 178.8 | -179.9 | -166.2 | 0.8 | 112.9 | A194 S195 S200 L201 | A194-R198 WeakPolarHBondContact O-CB 2.96Å; A194-R198 VanDerWaalsContact O-CG 3.3Å; A194-R198 WeakPolarHBondContact O-CG 3.29Å; A194-R198 PolarHBondContact O-N 3.1Å; A194-R198 VanDerWaalsContact O-N 3.13Å; S195-R198 PolarHBondContact O-N 2.89Å; R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.82Å; R198-L201 PolarHBondContact O-N 2.9Å |
| 199 | R | 55.9 | Low | 60.6 | Low | 66 Ų | 66 | 88 Ų | 88 | 25% | 0.249 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -70.7 | -23.3 | -179.4 | -76.6 | -174.6 | 164.5 | 172.8 | -9.1 | 113.1 | S195 L201 C202 E209 | S195-R199 PolarHBondContact O-N 2.99Å; R199-L201 PolarHBondContact O-N 2.86Å; R199-L201 VanDerWaalsContact O-N 3.15Å; R199-C202 PolarHBondContact O-N 3.02Å; R199-E209 PolarHBondContact NH2-O 2.89Å |
| 200 | S | 51.5 | Low | 59.6 | Low | 82 Ų | 82 | 89.2 Ų | 89.2 | 57% | 0.573 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -6.2 | 174.7 | -167 | 0 | 0 | 0 | 0 | 115.1 | T196 Q197 R198 | T196-S200 PolarHBondContact O-N 3.32Å; Q197-S200 PolarHBondContact O-N 2.72Å; R198-S200 VanDerWaalsContact C-N 3.29Å; R198-S200 PolarHBondContact O-N 2.82Å |
| 201 | L | 48.2 | Very low | 58.9 | Low | 160 Ų | 160 | 88.7 Ų | 88.7 | 84% | 0.838 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -0.6 | 178.9 | -68.3 | 169.8 | 0 | 0 | 0 | 113.4 | R198 R199 | R198-L201 PolarHBondContact O-N 2.9Å; R199-L201 PolarHBondContact O-N 2.86Å; R199-L201 VanDerWaalsContact O-N 3.15Å |
| 202 | C | 42.8 | Very low | 58.5 | Low | 98 Ų | 98 | 90.9 Ų | 90.9 | 66% | 0.662 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -107.9 | 142.3 | 177.5 | -67.6 | 0 | 0 | 0 | 0 | 110.6 | R199 | R199-C202 PolarHBondContact O-N 3.02Š|
| 203 | S | 38.8 | Very low | 58.2 | Low | 96 Ų | 96 | 90.9 Ų | 90.9 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | trans | -65.5 | 148.6 | 175.6 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | S205 | S203-S205 PolarHBondContact O-N 3.07Š| ||
| 204 | P | 41.2 | Very low | 58.5 | Low | 128 Ų | 128 | 93.6 Ų | 93.6 | 83% | 0.831 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -70.5 | 22.6 | -172.2 | -20 | 34.3 | 0 | 0 | 0 | 116.6 | S206 | P204-S206 VanDerWaalsContact C-N 3.28Å; P204-S206 PolarHBondContact O-N 2.96Å |
| 205 | S | 32.9 | Very low | 59.2 | Low | 105 Ų | 105 | 92.1 Ų | 92.1 | 73% | 0.734 | 51% | 0.505 | S | S | * | . | trans | -84.6 | 34.3 | -160.9 | 62.4 | 0 | 0 | 0 | 0 | 116 | S203 | S203-S205 PolarHBondContact O-N 3.07Š| ||
| 206 | S | 39.8 | Very low | 60.2 | Low | 75 Ų | 75 | 94.7 Ų | 94.7 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -162.1 | 148.5 | 166.8 | 41.3 | 0 | 0 | 0 | 0 | 111.9 | P204 D208 | P204-S206 VanDerWaalsContact C-N 3.28Å; P204-S206 PolarHBondContact O-N 2.96Å; S206-D208 VanDerWaalsContact CB-OD1 3.3Å; S206-D208 WeakPolarHBondContact CB-OD1 3.46Å; S206-D208 PolarHBondContact O-N 2.81Å; S206-D208 PolarHBondContact OG-OD1 2.88Å |
| 207 | K | 48.1 | Very low | 61.2 | Low | 206 Ų | 206 | 97.7 Ų | 97.7 | 90% | 0.896 | 52% | 0.523 | S | S | * | . | trans | -73.3 | 64.4 | 163.8 | -72.7 | -170.4 | 175.4 | -171.6 | 0 | 109.4 | E209 | K207-E209 PolarHBondContact O-N 2.92Å; K207-E209 VanDerWaalsContact O-N 3.16Å | ||
| 208 | D | 51 | Low | 62.4 | Low | 96 Ų | 96 | 91 Ų | 91 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | trans | -61.3 | 114.5 | 177 | -90.3 | 22.9 | 0 | 0 | 0 | 109.7 | S206 | S206-D208 VanDerWaalsContact CB-OD1 3.3Å; S206-D208 WeakPolarHBondContact CB-OD1 3.46Å; S206-D208 PolarHBondContact O-N 2.81Å; S206-D208 PolarHBondContact OG-OD1 2.88Å | ||
| 209 | E | 58.7 | Low | 63.8 | Low | 131 Ų | 131 | 84 Ų | 84 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 145.1 | 178.6 | -73.9 | -162.8 | 85 | 0 | 0 | 111.7 | R142 R199 K207 | R142-E209 IonicContact CZ-OE1 2.93Å; R142-E209 VanDerWaalsContact CZ-OE1 3.23Å; R142-E209 IonicContact NH1-OE1 2.7Å; R142-E209 PolarHBondContact NH1-OE1 2.89Å; R142-E209 IonicContact NH2-OE1 2.75Å; R142-E209 PolarHBondContact NH2-OE1 2.82Å; R142-E209 IonicContact NH2-OE2 3.2Å; R199-E209 PolarHBondContact NH2-O 2.89Å; K207-E209 PolarHBondContact O-N 2.92Å; K207-E209 VanDerWaalsContact O-N 3.16Å |
| 210 | P | 66.1 | Low | 65 | Low | 30 Ų | 30 | 81.6 Ų | 81.6 | 20% | 0.195 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 138.1 | 170.2 | 27.9 | -34.2 | 0 | 0 | 0 | 109.7 | V139 R142 D212 | V139-P210 HydrophobicContact CB-CB 3.82Å; V139-P210 HydrophobicContact CB-CG 4.43Å; V139-P210 HydrophobicContact CG1-CB 3.42Å; V139-P210 VanDerWaalsContact CG1-CB 3.42Å; V139-P210 HydrophobicContact CG1-CG 4.09Å; R142-P210 HydrophobicContact CB-CG 4.45Å; R142-P210 HydrophobicContact CG-CB 4.41Å; R142-P210 HydrophobicContact CG-CG 4.08Å; P210-D212 PolarHBondContact O-N 3.4Å; P210-D212 VanDerWaalsContact O-N 3.14Å |
| 211 | S | 73.3 | Confident | 66.2 | Low | 65 Ų | 65 | 83.6 Ų | 83.6 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 119.7 | -178.8 | 175 | 0 | 0 | 0 | 0 | 110.4 | R141 R142 G213 | R141-S211 VanDerWaalsContact CA-O 3.31Å; R141-S211 WeakPolarHBondContact CA-O 3.46Å; R141-S211 WeakPolarHBondContact CG-O 3.43Å; R142-S211 PolarHBondContact N-O 2.8Å; S211-G213 PolarHBondContact O-N 3.26Å |
| 212 | D | 77.4 | Confident | 67.3 | Low | 96 Ų | 96 | 80.2 Ų | 80.2 | 51% | 0.513 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 115 | 167.2 | -73.2 | -67.2 | 0 | 0 | 0 | 110 | R142 P210 | R142-D212 WeakPolarHBondContact CD-OD1 3.46Å; R142-D212 WeakPolarHBondContact CG-OD1 3.25Å; R142-D212 IonicContact CZ-OD1 3.24Å; R142-D212 IonicContact CZ-OD2 2.73Å; R142-D212 VanDerWaalsContact NE-CG 3.28Å; R142-D212 IonicContact NE-OD1 3.59Å; R142-D212 PolarHBondContact NE-OD1 3.46Å; R142-D212 IonicContact NE-OD2 2.61Å; R142-D212 PolarHBondContact NE-OD2 3.06Å; R142-D212 IonicContact NH2-OD1 3.26Å; R142-D212 IonicContact NH2-OD2 2.77Å; R142-D212 PolarHBondContact NH2-OD2 3.12Å; P210-D212 PolarHBondContact O-N 3.4Å; P210-D212 VanDerWaalsContact O-N 3.14Å |
| 213 | G | 78.6 | Confident | 68.7 | Low | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.021 | 42% | 0.417 | C | S | . | . | trans | -101.5 | 88.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R142 F143 S211 L215 | R142-G213 PolarHBondContact O-N 2.83Å; F143-G213 WeakPolarHBondContact CB-O 3.32Å; S211-G213 PolarHBondContact O-N 3.26Å; G213-L215 PolarHBondContact O-N 2.86Å | ||
| 214 | N | 85.6 | Confident | 70.1 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 55% | 0.551 | 40% | 0.403 | S | S | * | . | trans | -44.8 | 129 | 177.6 | -72.5 | -41.6 | 0 | 0 | 0 | 111.9 | Y216 A239 H240 | N214-Y216 HydrophobicContact CB-CE2 4.28Å; N214-A239 HydrophobicContact CB-CB 4.32Å; N214-A239 WeakPolarHBondContact O-CB 3.31Å; N214-H240 PolarHBondContact O-N 3.22Å | ||
| 215 | L | 91.1 | Very high | 71.6 | Confident | 10 Ų | 10 | 80.6 Ų | 80.6 | 5% | 0.052 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 112.1 | -178.2 | -169.1 | 66.6 | 0 | 0 | 0 | 110.1 | F143 L145 V185 G213 F217 H240 A242 | F143-L215 HydrophobicContact CD2-CD1 4.12Å; F143-L215 HydrophobicContact CD2-CD2 4.13Å; F143-L215 HydrophobicContact CE2-CD1 4.3Å; L145-L215 HydrophobicContact CD2-CD2 3.8Å; V185-L215 HydrophobicContact CG1-CD1 3.96Å; G213-L215 PolarHBondContact O-N 2.86Å; L215-F217 HydrophobicContact CD2-CE1 3.84Å; L215-F217 HydrophobicContact CD2-CZ 3.91Å; L215-F217 HydrophobicContact CG-CE1 4.4Å; L215-H240 HydrophobicContact CD1-CB 3.62Å; L215-A242 HydrophobicContact CD1-CB 3.94Å; L215-A242 HydrophobicContact CD2-CB 4.43Å; L215-A242 HydrophobicContact CG-CB 4.14Å |
| 216 | Y | 91 | Very high | 73.7 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113.1 | 177.4 | -72.2 | -71.5 | 0 | 0 | 0 | 111.2 | N214 C234 K237 A239 H240 L241 A242 | N214-Y216 HydrophobicContact CB-CE2 4.28Å; Y216-C234 HydrophobicContact CD2-CB 4.21Å; Y216-C234 WeakPolarHBondContact CD2-SG 3.33Å; Y216-K237 HydrophobicContact CE2-CD 4.32Å; Y216-A239 HydrophobicContact CD2-CB 3.69Å; Y216-A239 HydrophobicContact CE2-CB 3.6Å; Y216-H240 PolarHBondContact N-O 3.03Å; Y216-L241 WeakPolarHBondContact O-CA 3.46Å; Y216-A242 PolarHBondContact O-N 2.59Å |
| 217 | F | 89.5 | Confident | 75.9 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 146.4 | 174.5 | -58.7 | -71.2 | 0 | 0 | 0 | 112.9 | H146 I148 L183 L215 A242 | H146-F217 HydrophobicContact CB-CE2 4.06Å; H146-F217 HydrophobicContact CB-CZ 4.36Å; H146-F217 AromaticContact CD2-CE2 3.72Å; I148-F217 HydrophobicContact CD1-CE1 4.13Å; I148-F217 HydrophobicContact CD1-CZ 4.08Å; L183-F217 HydrophobicContact CD1-CE1 3.98Å; L183-F217 HydrophobicContact CD2-CD1 4.16Å; L183-F217 HydrophobicContact CD2-CE1 3.94Å; L215-F217 HydrophobicContact CD2-CE1 3.84Å; L215-F217 HydrophobicContact CD2-CZ 3.91Å; L215-F217 HydrophobicContact CG-CE1 4.4Å; F217-A242 CarbonylContact C-O 3.44Å; F217-A242 WeakPolarHBondContact CA-O 3.39Å; F217-A242 HydrophobicContact CD1-CB 3.85Å; F217-A242 HydrophobicContact CE1-CB 4.26Å |
| 218 | V | 90.2 | Very high | 77.7 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 128.9 | 171.7 | 178.3 | 0 | 0 | 0 | 0 | 107.4 | E222 K230 L241 A242 V243 R244 | V218-E222 HydrophobicContact CG1-CB 3.71Å; V218-K230 HydrophobicContact CG1-CD 4.18Å; V218-K230 HydrophobicContact CG2-CB 4.39Å; V218-K230 HydrophobicContact CG2-CD 3.47Å; V218-K230 VanDerWaalsContact CG2-CD 3.47Å; V218-L241 HydrophobicContact CG2-CD1 3.72Å; V218-L241 HydrophobicContact CG2-CG 4.33Å; V218-A242 PolarHBondContact N-O 3.14Å; V218-V243 CarbonylContact O-C 3.5Å; V218-V243 WeakPolarHBondContact O-CA 3.37Å; V218-R244 PolarHBondContact O-N 3.38Å |
| 219 | S | 87.1 | Confident | 79.4 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 148.3 | 175 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | E221 E222 S223 | S219-E221 PolarHBondContact O-N 3.38Å; S219-E221 VanDerWaalsContact O-N 3.15Å; S219-E221 PolarHBondContact OG-N 3.23Å; S219-E222 PolarHBondContact N-OE2 3.43Å; S219-E222 PolarHBondContact O-N 2.58Å; S219-S223 PolarHBondContact O-N 2.84Å |
| 220 | S | 81.5 | Confident | 80.9 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -43.9 | -43.3 | 168.4 | -176.2 | 0 | 0 | 0 | 0 | 112.4 | S223 R244 | S220-S223 WeakPolarHBondContact O-CB 3.43Å; S220-S223 PolarHBondContact O-N 2.92Å; S220-S223 PolarHBondContact O-OG 2.86Å; S220-R244 PolarHBondContact N-O 2.59Å |
| 221 | E | 76.8 | Confident | 82.1 | Confident | 124 Ų | 124 | 64.4 Ų | 64.4 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.3 | -50.2 | 175.8 | -83.4 | -61.7 | 111.5 | 0 | 0 | 113.3 | S219 S223 K224 | S219-E221 PolarHBondContact O-N 3.38Å; S219-E221 VanDerWaalsContact O-N 3.15Å; S219-E221 PolarHBondContact OG-N 3.23Å; E221-S223 VanDerWaalsContact C-N 3.27Å; E221-S223 PolarHBondContact O-N 2.85Å; E221-K224 WeakPolarHBondContact O-CB 3.27Å; E221-K224 PolarHBondContact O-N 3.1Å; E221-K224 WeakPolarHBondContact OE1-CE 3.41Å; E221-K224 IonicContact OE1-NZ 2.88Å; E221-K224 PolarHBondContact OE1-NZ 3.16Å |
| 222 | E | 72.3 | Confident | 82.9 | Confident | 88 Ų | 88 | 64.8 Ų | 64.8 | 41% | 0.411 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.7 | -34.4 | 178.3 | -66.4 | -169.2 | 126.1 | 0 | 0 | 112.4 | V218 S219 K224 R225 Q226 K230 | V218-E222 HydrophobicContact CG1-CB 3.71Å; S219-E222 PolarHBondContact N-OE2 3.43Å; S219-E222 PolarHBondContact O-N 2.58Å; E222-K224 PolarHBondContact O-N 2.84Å; E222-K224 VanDerWaalsContact O-N 3.17Å; E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 VanDerWaalsContact O-N 3.1Å; E222-Q226 PolarHBondContact O-N 2.88Å; E222-Q226 VanDerWaalsContact O-N 3.17Å; E222-K230 IonicContact OE1-NZ 2.74Å; E222-K230 PolarHBondContact OE1-NZ 3.12Å; E222-K230 IonicContact OE2-NZ 3.23Å; E222-K230 PolarHBondContact OE2-NZ 3.18Å |
| 223 | S | 70.9 | Confident | 83.5 | Confident | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57 | -32.4 | -179.4 | 87.4 | 0 | 0 | 0 | 0 | 111.5 | S219 S220 E221 R225 L227 | S219-S223 PolarHBondContact O-N 2.84Å; S220-S223 WeakPolarHBondContact O-CB 3.43Å; S220-S223 PolarHBondContact O-N 2.92Å; S220-S223 PolarHBondContact O-OG 2.86Å; E221-S223 VanDerWaalsContact C-N 3.27Å; E221-S223 PolarHBondContact O-N 2.85Å; S223-R225 PolarHBondContact O-N 2.78Å; S223-R225 VanDerWaalsContact O-N 3.08Å; S223-L227 WeakPolarHBondContact O-CB 3.44Å |
| 224 | K | 69.1 | Low | 84.1 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 38% | 0.383 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -20.4 | -180 | -60.2 | 176.3 | 179.5 | 177.9 | 0 | 113.3 | E221 E222 | E221-K224 WeakPolarHBondContact O-CB 3.27Å; E221-K224 PolarHBondContact O-N 3.1Å; E221-K224 WeakPolarHBondContact OE1-CE 3.41Å; E221-K224 IonicContact OE1-NZ 2.88Å; E221-K224 PolarHBondContact OE1-NZ 3.16Å; E222-K224 PolarHBondContact O-N 2.84Å; E222-K224 VanDerWaalsContact O-N 3.17Å |
| 225 | R | 71.7 | Confident | 84.3 | Confident | 237 Ų | 237 | 62.6 Ų | 62.6 | 89% | 0.894 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -120.9 | -33.3 | -178.3 | -61.7 | -175.9 | -174.4 | 173.4 | 3.5 | 115.2 | E222 S223 | E222-R225 PolarHBondContact O-N 2.9Å; E222-R225 VanDerWaalsContact O-N 3.1Å; S223-R225 PolarHBondContact O-N 2.78Å; S223-R225 VanDerWaalsContact O-N 3.08Å |
| 226 | Q | 77.1 | Confident | 84.1 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -126.7 | 4.9 | -166.5 | -67.1 | -171.4 | -3.4 | 0 | 0 | 116.4 | E222 S228 S229 K230 | E222-Q226 PolarHBondContact O-N 2.88Å; E222-Q226 VanDerWaalsContact O-N 3.17Å; Q226-S228 PolarHBondContact O-N 2.84Å; Q226-S228 VanDerWaalsContact O-N 3.09Å; Q226-S229 PolarHBondContact O-N 3.45Å; Q226-S229 VanDerWaalsContact O-N 3.14Å; Q226-S229 PolarHBondContact O-OG 3.1Å; Q226-S229 VanDerWaalsContact O-OG 3.05Å; Q226-K230 HydrophobicContact CB-CG 4.37Å; Q226-K230 PolarHBondContact O-N 2.97Å; Q226-K230 VanDerWaalsContact O-N 3.15Å |
| 227 | L | 86.1 | Confident | 83.9 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -52.1 | -40.9 | -174.5 | -171.4 | 70.8 | 0 | 0 | 0 | 113.4 | R165 L166 F169 S223 S229 L231 L241 V243 | R165-L227 WeakPolarHBondContact O-CD2 3.2Å; L166-L227 HydrophobicContact CD2-CD2 4.06Å; F169-L227 HydrophobicContact CE1-CD1 4.31Å; F169-L227 HydrophobicContact CE1-CD2 4.24Å; F169-L227 HydrophobicContact CE1-CG 4.5Å; S223-L227 WeakPolarHBondContact O-CB 3.44Å; L227-S229 PolarHBondContact O-N 3.01Å; L227-L231 WeakPolarHBondContact O-CB 3.25Å; L227-L231 PolarHBondContact O-N 3.34Å; L227-L241 HydrophobicContact CD1-CD2 3.62Å; L227-V243 HydrophobicContact CD1-CG2 3.56Å |
| 228 | S | 85.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 66 Ų | 66 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | -178.8 | -91 | 0 | 0 | 0 | 0 | 115 | R168 Q226 T232 | R168-S228 WeakPolarHBondContact CD-OG 3Å; R168-S228 PolarHBondContact NH1-O 3.49Å; R168-S228 PolarHBondContact NH1-OG 2.92Å; Q226-S228 PolarHBondContact O-N 2.84Å; Q226-S228 VanDerWaalsContact O-N 3.09Å; S228-T232 PolarHBondContact O-N 2.99Å; S228-T232 PolarHBondContact O-OG1 2.85Å |
| 229 | S | 87.8 | Confident | 83.4 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -80.8 | -45.9 | 179.5 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | Q226 L227 L231 T232 H233 | Q226-S229 PolarHBondContact O-N 3.45Å; Q226-S229 VanDerWaalsContact O-N 3.14Å; Q226-S229 PolarHBondContact O-OG 3.1Å; Q226-S229 VanDerWaalsContact O-OG 3.05Å; L227-S229 PolarHBondContact O-N 3.01Å; S229-L231 VanDerWaalsContact C-N 3.33Å; S229-L231 PolarHBondContact O-N 3.24Å; S229-T232 PolarHBondContact O-N 2.74Å; S229-H233 WeakPolarHBondContact O-CB 3.23Å; S229-H233 PolarHBondContact O-N 2.77Å |
| 230 | K | 89.3 | Confident | 83.7 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 22% | 0.222 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.1 | -45.3 | 175.1 | -66.4 | -165.4 | -179.8 | -167.3 | 0 | 111.2 | V218 E222 Q226 T232 H233 C234 L241 | V218-K230 HydrophobicContact CG1-CD 4.18Å; V218-K230 HydrophobicContact CG2-CB 4.39Å; V218-K230 HydrophobicContact CG2-CD 3.47Å; V218-K230 VanDerWaalsContact CG2-CD 3.47Å; E222-K230 IonicContact OE1-NZ 2.74Å; E222-K230 PolarHBondContact OE1-NZ 3.12Å; E222-K230 IonicContact OE2-NZ 3.23Å; E222-K230 PolarHBondContact OE2-NZ 3.18Å; Q226-K230 HydrophobicContact CB-CG 4.37Å; Q226-K230 PolarHBondContact O-N 2.97Å; Q226-K230 VanDerWaalsContact O-N 3.15Å; K230-T232 PolarHBondContact O-N 3.09Å; K230-H233 PolarHBondContact O-N 3.44Å; K230-C234 PolarHBondContact O-N 3.15Å; K230-C234 PolarHBondContact O-SG 3.13Å; K230-L241 HydrophobicContact CB-CD1 4.13Å |
| 231 | L | 92 | Very high | 84.3 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.9 | -174.2 | 69.9 | 0 | 0 | 0 | 112.9 | R168 F169 D186 L227 S229 C234 R235 L241 | R168-L231 HydrophobicContact CB-CD2 3.62Å; F169-L231 HydrophobicContact CD1-CD1 4.21Å; F169-L231 HydrophobicContact CD1-CD2 4.2Å; F169-L231 HydrophobicContact CE1-CD1 4.04Å; F169-L231 HydrophobicContact CE1-CD2 4.44Å; D186-L231 HydrophobicContact CB-CD1 3.83Å; D186-L231 WeakPolarHBondContact OD2-CD1 3.29Å; L227-L231 WeakPolarHBondContact O-CB 3.25Å; L227-L231 PolarHBondContact O-N 3.34Å; S229-L231 VanDerWaalsContact C-N 3.33Å; S229-L231 PolarHBondContact O-N 3.24Å; L231-C234 PolarHBondContact O-N 3.26Å; L231-R235 WeakPolarHBondContact O-CG 3.2Å; L231-R235 PolarHBondContact O-N 3.3Å; L231-L241 HydrophobicContact CB-CD2 3.93Å; L231-L241 HydrophobicContact CD1-CB 4.04Å; L231-L241 HydrophobicContact CD1-CD2 3.83Å |
| 232 | T | 90.7 | Very high | 85.1 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | -178.9 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | R168 S228 S229 K230 R235 S236 | R168-T232 PolarHBondContact NH2-OG1 3.32Å; S228-T232 PolarHBondContact O-N 2.99Å; S228-T232 PolarHBondContact O-OG1 2.85Å; S229-T232 PolarHBondContact O-N 2.74Å; K230-T232 PolarHBondContact O-N 3.09Å; T232-R235 PolarHBondContact O-N 3.25Å; T232-S236 PolarHBondContact O-N 2.74Å; T232-S236 PolarHBondContact O-OG 2.86Å |
| 233 | H | 90.2 | Very high | 86.1 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 46% | 0.458 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 176 | -177.3 | 79.8 | 0 | 0 | 0 | 113.4 | S229 K230 S236 K237 | S229-H233 WeakPolarHBondContact O-CB 3.23Å; S229-H233 PolarHBondContact O-N 2.77Å; K230-H233 PolarHBondContact O-N 3.44Å; H233-S236 WeakPolarHBondContact CA-OG 3.41Å; H233-S236 PolarHBondContact O-OG 3.11Å; H233-K237 VanDerWaalsContact NE2-CE 3.32Å; H233-K237 WeakPolarHBondContact NE2-CE 3.31Å; H233-K237 PolarHBondContact NE2-NZ 3.13Å; H233-K237 PolarHBondContact O-N 3.36Å |
| 234 | C | 90.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | Y216 K230 L231 S236 K237 G238 A239 L241 | Y216-C234 HydrophobicContact CD2-CB 4.21Å; Y216-C234 WeakPolarHBondContact CD2-SG 3.33Å; K230-C234 PolarHBondContact O-N 3.15Å; K230-C234 PolarHBondContact O-SG 3.13Å; L231-C234 PolarHBondContact O-N 3.26Å; C234-S236 PolarHBondContact O-N 3.12Å; C234-K237 PolarHBondContact O-N 2.87Å; C234-K237 VanDerWaalsContact O-N 3.08Å; C234-G238 PolarHBondContact O-N 3.15Å; C234-A239 HydrophobicContact CB-CB 4.2Å; C234-A239 WeakPolarHBondContact O-CB 3.23Å; C234-A239 PolarHBondContact O-N 2.89Å; C234-L241 HydrophobicContact CB-CB 4.4Å; C234-L241 HydrophobicContact CB-CD1 4.4Å; C234-L241 VanDerWaalsContact SG-CD1 3.51Å |
| 235 | R | 89.9 | Confident | 88.3 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 176.8 | -70.1 | -178.1 | 178.4 | 167.8 | -5.7 | 113 | R168 D186 N188 L231 T232 K237 G238 | R168-R235 VanDerWaalsContact O-CZ 3.3Å; R168-R235 PolarHBondContact O-NH1 3.02Å; R168-R235 PolarHBondContact O-NH2 2.88Å; D186-R235 IonicContact OD1-CZ 2.69Å; D186-R235 IonicContact OD1-NH2 3.7Å; D186-R235 PolarHBondContact OD1-NH2 3.16Å; D186-R235 IonicContact OD2-CZ 2.75Å; D186-R235 IonicContact OD2-NE 3.48Å; D186-R235 PolarHBondContact OD2-NE 3.31Å; D186-R235 IonicContact OD2-NH2 2.74Å; D186-R235 PolarHBondContact OD2-NH2 3.13Å; N188-R235 HydrophobicContact CB-CG 4.38Å; N188-R235 WeakPolarHBondContact OD1-CD 3.41Å; N188-R235 PolarHBondContact OD1-NE 3.45Å; L231-R235 WeakPolarHBondContact O-CG 3.2Å; L231-R235 PolarHBondContact O-N 3.3Å; T232-R235 PolarHBondContact O-N 3.25Å; R235-K237 PolarHBondContact O-N 3.39Å; R235-G238 PolarHBondContact O-N 3.18Å; R235-G238 VanDerWaalsContact O-N 3.08Å |
| 236 | S | 87.9 | Confident | 89.3 | Confident | 94 Ų | 94 | 46 Ų | 46 | 66% | 0.657 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.6 | -20.7 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 114 | T232 H233 C234 | T232-S236 PolarHBondContact O-N 2.74Å; T232-S236 PolarHBondContact O-OG 2.86Å; H233-S236 WeakPolarHBondContact CA-OG 3.41Å; H233-S236 PolarHBondContact O-OG 3.11Å; C234-S236 PolarHBondContact O-N 3.12Å |
| 237 | K | 85.2 | Confident | 89.9 | Confident | 115 Ų | 115 | 41.8 Ų | 41.8 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 0.5 | 174 | -75.2 | 177.6 | 165.2 | 175.3 | 0 | 113.9 | Y216 H233 C234 R235 A239 | Y216-K237 HydrophobicContact CE2-CD 4.32Å; H233-K237 VanDerWaalsContact NE2-CE 3.32Å; H233-K237 WeakPolarHBondContact NE2-CE 3.31Å; H233-K237 PolarHBondContact NE2-NZ 3.13Å; H233-K237 PolarHBondContact O-N 3.36Å; C234-K237 PolarHBondContact O-N 2.87Å; C234-K237 VanDerWaalsContact O-N 3.08Å; R235-K237 PolarHBondContact O-N 3.39Å; K237-A239 HydrophobicContact CB-CB 4.22Å; K237-A239 PolarHBondContact O-N 3.07Å |
| 238 | G | 80.6 | Confident | 90.2 | Very high | 32 Ų | 32 | 42.2 Ų | 42.2 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 24.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113.4 | R141 C234 R235 | R141-G238 PolarHBondContact NH1-O 2.83Å; C234-G238 PolarHBondContact O-N 3.15Å; R235-G238 PolarHBondContact O-N 3.18Å; R235-G238 VanDerWaalsContact O-N 3.08Å |
| 239 | A | 88.9 | Confident | 90.4 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | trans | -94.2 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R141 N214 Y216 C234 K237 | R141-A239 PolarHBondContact NH1-O 2.98Å; N214-A239 HydrophobicContact CB-CB 4.32Å; N214-A239 WeakPolarHBondContact O-CB 3.31Å; Y216-A239 HydrophobicContact CD2-CB 3.69Å; Y216-A239 HydrophobicContact CE2-CB 3.6Å; C234-A239 HydrophobicContact CB-CB 4.2Å; C234-A239 WeakPolarHBondContact O-CB 3.23Å; C234-A239 PolarHBondContact O-N 2.89Å; K237-A239 HydrophobicContact CB-CB 4.22Å; K237-A239 PolarHBondContact O-N 3.07Å | ||
| 240 | H | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 154.1 | 169.2 | -73.9 | -79.2 | 0 | 0 | 0 | 110.4 | R141 F143 V185 D186 L187 N214 L215 Y216 | R141-H240 PolarHBondContact NE-NE2 3.39Å; R141-H240 PolarHBondContact NH1-NE2 3.28Å; R141-H240 PolarHBondContact NH2-CE1 2.8Å; R141-H240 PolarHBondContact NH2-NE2 3.06Å; F143-H240 AromaticContact CD1-CD2 3.56Å; F143-H240 AromaticContact CD1-NE2 3.58Å; F143-H240 AromaticContact CE1-CD2 3.86Å; F143-H240 AromaticContact CE1-CE1 3.96Å; F143-H240 AromaticContact CE1-NE2 3.6Å; V185-H240 HydrophobicContact CG1-CB 4.2Å; D186-H240 PolarHBondContact O-ND1 3.29Å; L187-H240 PolarHBondContact O-CE1 2.84Å; N214-H240 PolarHBondContact O-N 3.22Å; L215-H240 HydrophobicContact CD1-CB 3.62Å; Y216-H240 PolarHBondContact N-O 3.03Å |
| 241 | L | 94.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 127 | 172.3 | -168.9 | 84 | 0 | 0 | 0 | 109.3 | V185 D186 Y216 V218 L227 K230 L231 C234 | V185-L241 WeakPolarHBondContact CA-O 3.41Å; D186-L241 HydrophobicContact CB-CB 4.45Å; D186-L241 PolarHBondContact N-O 3.39Å; Y216-L241 WeakPolarHBondContact O-CA 3.46Å; V218-L241 HydrophobicContact CG2-CD1 3.72Å; V218-L241 HydrophobicContact CG2-CG 4.33Å; L227-L241 HydrophobicContact CD1-CD2 3.62Å; K230-L241 HydrophobicContact CB-CD1 4.13Å; L231-L241 HydrophobicContact CB-CD2 3.93Å; L231-L241 HydrophobicContact CD1-CB 4.04Å; L231-L241 HydrophobicContact CD1-CD2 3.83Å; C234-L241 HydrophobicContact CB-CB 4.4Å; C234-L241 HydrophobicContact CB-CD1 4.4Å; C234-L241 VanDerWaalsContact SG-CD1 3.51Å |
| 242 | A | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | L184 V185 L215 Y216 F217 V218 | L184-A242 WeakPolarHBondContact O-CA 3.41Å; V185-A242 HydrophobicContact CG2-CB 4.14Å; L215-A242 HydrophobicContact CD1-CB 3.94Å; L215-A242 HydrophobicContact CD2-CB 4.43Å; L215-A242 HydrophobicContact CG-CB 4.14Å; Y216-A242 PolarHBondContact O-N 2.59Å; F217-A242 CarbonylContact C-O 3.44Å; F217-A242 WeakPolarHBondContact CA-O 3.39Å; F217-A242 HydrophobicContact CD1-CB 3.85Å; F217-A242 HydrophobicContact CE1-CB 4.26Å; V218-A242 PolarHBondContact N-O 3.14Å |
| 243 | V | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 113.9 | 164.1 | -178 | 0 | 0 | 0 | 0 | 107.7 | L166 F169 L183 L184 V218 L227 M245 F281 | L166-V243 HydrophobicContact CD2-CG2 4.18Å; F169-V243 HydrophobicContact CZ-CG2 4.15Å; L183-V243 WeakPolarHBondContact CA-O 3.24Å; L184-V243 HydrophobicContact CB-CB 4.45Å; L184-V243 PolarHBondContact N-O 2.84Å; L184-V243 PolarHBondContact O-N 2.85Å; V218-V243 CarbonylContact O-C 3.5Å; V218-V243 WeakPolarHBondContact O-CA 3.37Å; L227-V243 HydrophobicContact CD1-CG2 3.56Å; V243-M245 HydrophobicContact CG1-CG 4.22Å; V243-M245 HydrophobicContact CG1-SD 4.43Å; V243-F281 HydrophobicContact CG1-CE1 4.2Å |
| 244 | R | 93.6 | Very high | 91.3 | Very high | 89 Ų | 89 | 34.8 Ų | 34.8 | 34% | 0.336 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.8 | 175.5 | 175.9 | 174.7 | 169.3 | 148 | 1.2 | 110 | L183 V218 S220 D246 | L183-R244 HydrophobicContact CD2-CB 3.81Å; L183-R244 HydrophobicContact CD2-CG 3.94Å; V218-R244 PolarHBondContact O-N 3.38Å; S220-R244 PolarHBondContact N-O 2.59Å; R244-D246 IonicContact CZ-OD1 2.76Å; R244-D246 IonicContact NE-OD1 3.62Å; R244-D246 PolarHBondContact NE-OD1 3.01Å; R244-D246 IonicContact NE-OD2 3.13Å; R244-D246 IonicContact NH2-OD1 3.62Å; R244-D246 PolarHBondContact NH2-OD1 2.92Å |
| 245 | M | 92.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114.4 | 179.1 | -63.9 | 159.9 | 65.4 | 0 | 0 | 107.6 | T181 V182 L184 V243 V247 Y264 Y276 L278 F281 | T181-M245 CarbonylContact C-O 3.51Å; T181-M245 WeakPolarHBondContact CA-O 3.35Å; V182-M245 PolarHBondContact N-O 2.65Å; V182-M245 PolarHBondContact O-N 3.08Å; L184-M245 HydrophobicContact CD1-CE 4.31Å; L184-M245 HydrophobicContact CD1-SD 3.41Å; L184-M245 WeakPolarHBondContact CD1-SD 3.39Å; L184-M245 HydrophobicContact CG-SD 3.83Å; V243-M245 HydrophobicContact CG1-CG 4.22Å; V243-M245 HydrophobicContact CG1-SD 4.43Å; M245-V247 HydrophobicContact CB-CG2 4.15Å; M245-V247 PolarHBondContact O-N 3.01Å; M245-Y264 HydrophobicContact CE-CE1 4.23Å; M245-Y264 WeakPolarHBondContact CE-OH 3.45Å; M245-Y276 HydrophobicContact CE-CD1 3.59Å; M245-Y276 HydrophobicContact CE-CE1 3.05Å; M245-Y276 HydrophobicContact CE-CE2 4.27Å; M245-Y276 HydrophobicContact CE-CG 4.39Å; M245-Y276 VanDerWaalsContact CE-CZ 3.45Å; M245-L278 HydrophobicContact CE-CD2 3.78Å; M245-L278 HydrophobicContact SD-CD2 4.35Å; M245-F281 HydrophobicContact CE-CD1 4.04Å; M245-F281 HydrophobicContact CE-CE1 4.43Å; M245-F281 HydrophobicContact SD-CD1 4.1Å; M245-F281 HydrophobicContact SD-CE1 4.06Å |
| 246 | D | 91.5 | Very high | 91.8 | Very high | 99 Ų | 99 | 34.1 Ų | 34.1 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 108.3 | 173.5 | -52 | -65.2 | 0 | 0 | 0 | 107.1 | T181 R244 | T181-D246 VanDerWaalsContact CG2-OD1 3.27Å; T181-D246 WeakPolarHBondContact CG2-OD1 3.44Å; R244-D246 IonicContact CZ-OD1 2.76Å; R244-D246 IonicContact NE-OD1 3.62Å; R244-D246 PolarHBondContact NE-OD1 3.01Å; R244-D246 IonicContact NE-OD2 3.13Å; R244-D246 IonicContact NH2-OD1 3.62Å; R244-D246 PolarHBondContact NH2-OD1 2.92Å |
| 247 | V | 91.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 31 Ų | 31 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | trans | -104.6 | -37.2 | -165.7 | 176.5 | 0 | 0 | 0 | 0 | 112 | G180 V182 M245 I252 Y264 L274 Y276 | G180-V247 PolarHBondContact O-N 3Å; G180-V247 VanDerWaalsContact O-N 3.12Å; V182-V247 HydrophobicContact CB-CG2 4.1Å; V182-V247 HydrophobicContact CG2-CB 4.49Å; V182-V247 HydrophobicContact CG2-CG2 3.82Å; M245-V247 HydrophobicContact CB-CG2 4.15Å; M245-V247 PolarHBondContact O-N 3.01Å; V247-I252 HydrophobicContact CB-CD1 4.47Å; V247-Y264 WeakPolarHBondContact CG2-OH 3.37Å; V247-L274 HydrophobicContact CG1-CB 4.46Å; V247-L274 HydrophobicContact CG1-CD1 3.87Å; V247-L274 WeakPolarHBondContact O-CD1 3.26Å; V247-Y276 HydrophobicContact CB-CE2 4.5Å; V247-Y276 HydrophobicContact CG1-CD2 3.91Å; V247-Y276 HydrophobicContact CG1-CE2 4.27Å; V247-Y276 HydrophobicContact CG2-CD2 4.02Å; V247-Y276 HydrophobicContact CG2-CE2 3.86Å | ||
| 248 | A | 91 | Very high | 92.6 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | trans | -141.7 | 172.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G180 L268 L274 | G180-A248 PolarHBondContact O-N 2.94Å; A248-L268 HydrophobicContact CB-CD1 3.77Å; A248-L268 HydrophobicContact CB-CD2 3.94Å; A248-L274 HydrophobicContact CB-CD1 4.02Å | ||
| 249 | S | 90.5 | Very high | 93 | Very high | 107 Ų | 107 | 26.5 Ų | 26.5 | 75% | 0.748 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -106.5 | 19 | 171.6 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 250 | I | 91 | Very high | 93 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 30% | 0.297 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -148.7 | 146.9 | -172.2 | -84 | -178.7 | 0 | 0 | 0 | 107.2 | G180 L268 E269 D270 | G180-I250 WeakPolarHBondContact CA-O 3.1Å; I250-L268 HydrophobicContact CG2-CB 4.35Å; I250-E269 HydrophobicContact CG2-CB 4.18Å; I250-D270 HydrophobicContact CD1-CB 4.01Å; I250-D270 HydrophobicContact CG2-CB 4.35Å |
| 251 | G | 92.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | -53.7 | 139.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E178 L268 E269 | E178-G251 WeakPolarHBondContact O-CA 3.49Å; E178-G251 PolarHBondContact O-N 3.19Å; E178-G251 VanDerWaalsContact O-N 3.16Å; G251-L268 WeakPolarHBondContact O-CA 3.14Å; G251-E269 PolarHBondContact O-N 2.71Å; G251-E269 VanDerWaalsContact O-N 3.07Å | ||
| 252 | I | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.9 | 172.9 | -63.4 | 162.2 | 0 | 0 | 0 | 107.6 | S151 A176 T177 T181 V182 V247 C254 L255 A266 G267 L268 | S151-I252 VanDerWaalsContact CB-O 3.23Å; S151-I252 WeakPolarHBondContact CB-O 3.29Å; S151-I252 PolarHBondContact OG-O 3.03Å; A176-I252 HydrophobicContact CB-CB 3.96Å; A176-I252 HydrophobicContact CB-CG2 3.68Å; T177-I252 PolarHBondContact O-N 2.98Å; T181-I252 WeakPolarHBondContact O-CD1 3.2Å; V182-I252 HydrophobicContact CG2-CD1 3.55Å; V247-I252 HydrophobicContact CB-CD1 4.47Å; I252-C254 WeakPolarHBondContact CG2-O 3.31Å; I252-L255 HydrophobicContact CG2-CD2 4.46Å; I252-L255 HydrophobicContact CG2-CG 4.25Å; I252-A266 HydrophobicContact CD1-CB 4.31Å; I252-A266 HydrophobicContact CG1-CB 4.32Å; I252-A266 HydrophobicContact CG2-CB 3.92Å; I252-G267 CarbonylContact C-O 3.58Å; I252-G267 WeakPolarHBondContact CA-O 3.39Å; I252-L268 HydrophobicContact CB-CD2 4.28Å; I252-L268 HydrophobicContact CG1-CD2 3.52Å |
| 253 | S | 93.5 | Very high | 92.7 | Very high | 29 Ų | 29 | 28.2 Ų | 28.2 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -17.6 | -177.1 | 50.2 | 0 | 0 | 0 | 0 | 114.1 | G267 V300 | S253-G267 PolarHBondContact N-O 2.87Å; S253-G267 PolarHBondContact OG-O 2.68Å; S253-V300 WeakPolarHBondContact CB-O 3.1Å; S253-V300 PolarHBondContact OG-O 2.84Å |
| 254 | C | 95.3 | Very high | 92.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 155 | 167.7 | 55 | 0 | 0 | 0 | 0 | 112.9 | I252 G267 V300 | I252-C254 WeakPolarHBondContact CG2-O 3.31Å; C254-G267 PolarHBondContact N-O 2.79Å; C254-G267 PolarHBondContact O-N 2.96Å; C254-V300 PolarHBondContact SG-O 2.79Å |
| 255 | L | 96.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 24 Ų | 24 | 9% | 0.094 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 158.3 | 172.8 | -85.7 | 175.4 | 0 | 0 | 0 | 110.4 | T154 A174 A176 V182 I252 Y264 A265 A266 | T154-L255 HydrophobicContact CG2-CB 4.5Å; T154-L255 WeakPolarHBondContact OG1-CB 3.29Å; A174-L255 HydrophobicContact CB-CD1 3.81Å; A176-L255 HydrophobicContact CB-CD1 3.68Å; A176-L255 HydrophobicContact CB-CG 3.93Å; V182-L255 HydrophobicContact CG1-CD1 4.43Å; V182-L255 HydrophobicContact CG2-CD2 4.4Å; I252-L255 HydrophobicContact CG2-CD2 4.46Å; I252-L255 HydrophobicContact CG2-CG 4.25Å; L255-Y264 HydrophobicContact CD2-CD2 3.58Å; L255-Y264 HydrophobicContact CD2-CE2 4.01Å; L255-Y264 HydrophobicContact CD2-CG 4.14Å; L255-A265 CarbonylContact C-O 3.58Å; L255-A265 WeakPolarHBondContact CA-O 3.35Å; L255-A266 HydrophobicContact CD2-CB 3.7Å |
| 256 | M | 95.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 24 Ų | 24 | 12% | 0.123 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 128.6 | 173.4 | 177.8 | -179.3 | 66.4 | 0 | 0 | 109.9 | Y264 A265 M303 C304 L305 I318 | M256-Y264 CarbonylContact O-C 3.43Å; M256-Y264 WeakPolarHBondContact O-CA 3.29Å; M256-Y264 VanDerWaalsContact O-CB 3.32Å; M256-Y264 WeakPolarHBondContact O-CB 3.44Å; M256-A265 HydrophobicContact CE-CB 3.99Å; M256-A265 PolarHBondContact N-O 3.2Å; M256-A265 PolarHBondContact O-N 3.37Å; M256-M303 HydrophobicContact CB-CE 4.13Å; M256-M303 HydrophobicContact CE-CB 4.22Å; M256-M303 HydrophobicContact SD-CB 4.13Å; M256-C304 WeakPolarHBondContact SD-CA 3.28Å; M256-L305 HydrophobicContact CE-CB 3.93Å; M256-L305 HydrophobicContact SD-CB 3.94Å; M256-L305 PolarHBondContact SD-N 3.28Å; M256-I318 HydrophobicContact CE-CD1 3.86Å; M256-I318 HydrophobicContact CE-CG1 3.97Å; M256-I318 HydrophobicContact CE-CG2 3.97Å |
| 257 | G | 94.2 | Very high | 93.4 | Very high | 27 Ų | 27 | 19.2 Ų | 19.2 | 28% | 0.278 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 147.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 258 | I | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121.7 | 175.9 | -54.3 | 179.8 | 0 | 0 | 0 | 109.1 | M260 A261 P262 G263 A265 I275 L305 F316 I318 | I258-M260 HydrophobicContact CG2-CG 3.98Å; I258-A261 HydrophobicContact CG2-CB 4.17Å; I258-A261 WeakPolarHBondContact CG2-O 3.33Å; I258-A261 VanDerWaalsContact O-O 3.1Å; I258-P262 WeakPolarHBondContact O-CA 3.29Å; I258-G263 PolarHBondContact N-O 2.8Å; I258-G263 PolarHBondContact O-N 2.84Å; I258-A265 HydrophobicContact CD1-CB 4.18Å; I258-I275 HydrophobicContact CD1-CG2 4.25Å; I258-L305 HydrophobicContact CB-CD1 4.43Å; I258-L305 HydrophobicContact CD1-CD1 4.27Å; I258-L305 HydrophobicContact CG1-CD1 3.94Å; I258-L305 HydrophobicContact CG2-CD1 3.93Å; I258-F316 HydrophobicContact CD1-CE2 4.28Å; I258-F316 HydrophobicContact CD1-CZ 4.15Å; I258-F316 HydrophobicContact CG2-CE1 4.49Å; I258-F316 HydrophobicContact CG2-CZ 4.27Å; I258-I318 HydrophobicContact CD1-CD1 4.39Å |
| 259 | S | 90.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 22 Ų | 22 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -37.5 | -175.2 | 55 | 0 | 0 | 0 | 0 | 113.9 | A261 | S259-A261 VanDerWaalsContact C-N 3.31Å; S259-A261 PolarHBondContact O-N 2.75Å |
| 260 | M | 88.5 | Confident | 93.5 | Very high | 19 Ų | 19 | 18.3 Ų | 18.3 | 9% | 0.094 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -28.3 | 177.1 | 57.8 | -164.1 | 64.9 | 0 | 0 | 113.5 | I258 L305 M307 F316 R350 F351 | I258-M260 HydrophobicContact CG2-CG 3.98Å; M260-L305 HydrophobicContact CE-CD2 3.5Å; M260-L305 HydrophobicContact SD-CD1 4.47Å; M260-L305 HydrophobicContact SD-CD2 3.9Å; M260-M307 HydrophobicContact CE-CB 4Å; M260-M307 HydrophobicContact CE-CG 4.26Å; M260-M307 HydrophobicContact CE-SD 3.56Å; M260-M307 VanDerWaalsContact CE-SD 3.56Å; M260-M307 HydrophobicContact SD-CB 4.38Å; M260-M307 HydrophobicContact SD-CG 4.3Å; M260-M307 HydrophobicContact SD-SD 3.85Å; M260-F316 HydrophobicContact CG-CD1 4.09Å; M260-F316 HydrophobicContact CG-CE1 4.36Å; M260-F316 HydrophobicContact SD-CB 3.65Å; M260-F316 HydrophobicContact SD-CD1 3.65Å; M260-F316 HydrophobicContact SD-CE1 4.44Å; M260-F316 HydrophobicContact SD-CG 3.79Å; M260-R350 CarbonylContact O-C 3.33Å; M260-R350 WeakPolarHBondContact O-CA 3.36Å; M260-R350 WeakPolarHBondContact O-CB 3.39Å; M260-F351 HydrophobicContact CB-CD2 4.02Å; M260-F351 HydrophobicContact CB-CE2 4.06Å; M260-F351 HydrophobicContact CG-CD2 3.94Å; M260-F351 HydrophobicContact CG-CE2 3.92Å; M260-F351 PolarHBondContact O-N 2.92Å; M260-F351 HydrophobicContact SD-CD2 4.27Å; M260-F351 HydrophobicContact SD-CE2 3.66Å |
| 261 | A | 90.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 12% | 0.116 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.4 | 93.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | I258 S259 G263 F316 Y337 | I258-A261 HydrophobicContact CG2-CB 4.17Å; I258-A261 WeakPolarHBondContact CG2-O 3.33Å; I258-A261 VanDerWaalsContact O-O 3.1Å; S259-A261 VanDerWaalsContact C-N 3.31Å; S259-A261 PolarHBondContact O-N 2.75Å; A261-G263 PolarHBondContact O-N 3Å; A261-F316 HydrophobicContact CB-CE1 4.43Å; A261-Y337 HydrophobicContact CB-CE1 4.46Å; A261-Y337 WeakPolarHBondContact CB-OH 2.97Å |
| 262 | P | 90.6 | Very high | 93.5 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.032 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 97.2 | -164.6 | -31.5 | 37.7 | 0 | 0 | 0 | 114.6 | L163 T164 I258 L278 I279 | L163-P262 HydrophobicContact CD1-CB 4.5Å; L163-P262 HydrophobicContact CD1-CG 3.81Å; T164-P262 HydrophobicContact CG2-CB 4.12Å; I258-P262 WeakPolarHBondContact O-CA 3.29Å; P262-L278 WeakPolarHBondContact O-CB 3.39Å; P262-L278 PolarHBondContact O-N 3.21Å; P262-I279 HydrophobicContact CB-CD1 4.32Å; P262-I279 HydrophobicContact CB-CG1 4.27Å; P262-I279 HydrophobicContact CG-CD1 4.2Å |
| 263 | G | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | -161 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I258 A261 Y276 | I258-G263 PolarHBondContact N-O 2.8Å; I258-G263 PolarHBondContact O-N 2.84Å; A261-G263 PolarHBondContact O-N 3Å; G263-Y276 CarbonylContact C-O 3.59Å; G263-Y276 WeakPolarHBondContact CA-O 3.42Å |
| 264 | Y | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 158.4 | 170.1 | 57.4 | -106.6 | 0 | 0 | 0 | 111.8 | V182 L184 M245 V247 L255 M256 A266 Y276 L278 | V182-Y264 HydrophobicContact CG1-CE1 4.18Å; V182-Y264 HydrophobicContact CG2-CE2 4.14Å; L184-Y264 HydrophobicContact CD1-CE1 4.47Å; L184-Y264 HydrophobicContact CD2-CE1 4.27Å; M245-Y264 HydrophobicContact CE-CE1 4.23Å; M245-Y264 WeakPolarHBondContact CE-OH 3.45Å; V247-Y264 WeakPolarHBondContact CG2-OH 3.37Å; L255-Y264 HydrophobicContact CD2-CD2 3.58Å; L255-Y264 HydrophobicContact CD2-CE2 4.01Å; L255-Y264 HydrophobicContact CD2-CG 4.14Å; M256-Y264 CarbonylContact O-C 3.43Å; M256-Y264 WeakPolarHBondContact O-CA 3.29Å; M256-Y264 VanDerWaalsContact O-CB 3.32Å; M256-Y264 WeakPolarHBondContact O-CB 3.44Å; Y264-A266 HydrophobicContact CD2-CB 4.35Å; Y264-A266 HydrophobicContact CE2-CB 4.31Å; Y264-Y276 HydrophobicContact CE2-CD2 4.4Å; Y264-Y276 HydrophobicContact CE2-CG 4.02Å; Y264-Y276 AromaticContact CZ-CG 3.87Å; Y264-Y276 PolarHBondContact N-O 3.39Å; Y264-Y276 VanDerWaalsContact N-O 3.11Å; Y264-Y276 PolarHBondContact O-N 3.31Å; Y264-L278 HydrophobicContact CD1-CD1 4.17Å; Y264-L278 HydrophobicContact CD1-CD2 4.37Å; Y264-L278 HydrophobicContact CD1-CG 4.4Å; Y264-L278 HydrophobicContact CE1-CD2 3.96Å; Y264-L278 HydrophobicContact CE1-CG 4.47Å |
| 265 | A | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L255 M256 I258 I273 L274 M303 I318 | L255-A265 CarbonylContact C-O 3.58Å; L255-A265 WeakPolarHBondContact CA-O 3.35Å; M256-A265 HydrophobicContact CE-CB 3.99Å; M256-A265 PolarHBondContact N-O 3.2Å; M256-A265 PolarHBondContact O-N 3.37Å; I258-A265 HydrophobicContact CD1-CB 4.18Å; A265-I273 HydrophobicContact CB-CG2 3.88Å; A265-L274 CarbonylContact C-O 3.58Å; A265-L274 WeakPolarHBondContact CA-O 3.33Å; A265-M303 HydrophobicContact CB-CE 3.94Å; A265-M303 HydrophobicContact CB-SD 4.31Å; A265-M303 WeakPolarHBondContact O-CE 3.49Å; A265-I318 HydrophobicContact CB-CD1 4.01Å |
| 266 | A | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | I252 L255 Y264 I273 L274 | I252-A266 HydrophobicContact CD1-CB 4.31Å; I252-A266 HydrophobicContact CG1-CB 4.32Å; I252-A266 HydrophobicContact CG2-CB 3.92Å; L255-A266 HydrophobicContact CD2-CB 3.7Å; Y264-A266 HydrophobicContact CD2-CB 4.35Å; Y264-A266 HydrophobicContact CE2-CB 4.31Å; A266-I273 CarbonylContact O-C 3.54Å; A266-I273 VanDerWaalsContact O-CA 3.28Å; A266-I273 WeakPolarHBondContact O-CA 3.42Å; A266-L274 PolarHBondContact N-O 3.44Å; A266-L274 PolarHBondContact O-N 3.44Å |
| 267 | G | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I252 S253 C254 | I252-G267 CarbonylContact C-O 3.58Å; I252-G267 WeakPolarHBondContact CA-O 3.39Å; S253-G267 PolarHBondContact N-O 2.87Å; S253-G267 PolarHBondContact OG-O 2.68Å; C254-G267 PolarHBondContact N-O 2.79Å; C254-G267 PolarHBondContact O-N 2.96Å |
| 268 | L | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 158.7 | -176.7 | -55.1 | -168.6 | 0 | 0 | 0 | 112.5 | A248 I250 G251 I252 D270 G271 R272 L274 V300 | A248-L268 HydrophobicContact CB-CD1 3.77Å; A248-L268 HydrophobicContact CB-CD2 3.94Å; I250-L268 HydrophobicContact CG2-CB 4.35Å; G251-L268 WeakPolarHBondContact O-CA 3.14Å; I252-L268 HydrophobicContact CB-CD2 4.28Å; I252-L268 HydrophobicContact CG1-CD2 3.52Å; L268-D270 WeakPolarHBondContact CB-OD1 3.39Å; L268-D270 PolarHBondContact O-N 3.11Å; L268-G271 PolarHBondContact O-N 2.94Å; L268-R272 HydrophobicContact CD1-CB 4.18Å; L268-R272 HydrophobicContact CG-CB 4.44Å; L268-R272 PolarHBondContact N-O 3.43Å; L268-L274 HydrophobicContact CD1-CD1 4.04Å; L268-L274 HydrophobicContact CD1-CG 4.25Å; L268-V300 PolarHBondContact O-N 2.89Å |
| 269 | E | 91.2 | Very high | 93 | Very high | 95 Ų | 95 | 20 Ų | 20 | 44% | 0.444 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.9 | 175.4 | -67 | 178.8 | 158.8 | 0 | 0 | 113.7 | I250 G251 G271 A299 | I250-E269 HydrophobicContact CG2-CB 4.18Å; G251-E269 PolarHBondContact O-N 2.71Å; G251-E269 VanDerWaalsContact O-N 3.07Å; E269-G271 VanDerWaalsContact C-N 3.28Å; E269-G271 PolarHBondContact O-N 2.86Å; E269-A299 HydrophobicContact CB-CB 4.47Å; E269-A299 WeakPolarHBondContact O-CA 3.5Å |
| 270 | D | 89.4 | Confident | 92.9 | Very high | 30 Ų | 30 | 21.5 Ų | 21.5 | 16% | 0.16 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5 | 175.7 | 71.2 | 9.1 | 0 | 0 | 0 | 114.5 | I250 L268 R272 | I250-D270 HydrophobicContact CD1-CB 4.01Å; I250-D270 HydrophobicContact CG2-CB 4.35Å; L268-D270 WeakPolarHBondContact CB-OD1 3.39Å; L268-D270 PolarHBondContact O-N 3.11Å; D270-R272 VanDerWaalsContact OD1-CB 3.31Å; D270-R272 WeakPolarHBondContact OD1-CB 3.31Å; D270-R272 WeakPolarHBondContact OD1-CG 3.06Å; D270-R272 PolarHBondContact OD1-N 2.88Å; D270-R272 IonicContact OD1-NE 2.65Å; D270-R272 PolarHBondContact OD1-NE 2.81Å; D270-R272 IonicContact OD2-CZ 2.72Å; D270-R272 IonicContact OD2-NE 3.08Å; D270-R272 PolarHBondContact OD2-NE 2.94Å; D270-R272 IonicContact OD2-NH2 3.64Å; D270-R272 PolarHBondContact OD2-NH2 2.83Å |
| 271 | G | 90.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | S | Bend | trans | 85 | 19.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L268 E269 S289 R298 Y322 | L268-G271 PolarHBondContact O-N 2.94Å; E269-G271 VanDerWaalsContact C-N 3.28Å; E269-G271 PolarHBondContact O-N 2.86Å; G271-S289 PolarHBondContact O-N 3.16Å; G271-R298 WeakPolarHBondContact CA-O 3.48Å; G271-R298 PolarHBondContact N-O 2.86Å; G271-Y322 WeakPolarHBondContact O-CE1 3.34Å |
| 272 | R | 92.4 | Very high | 92.9 | Very high | 73 Ų | 73 | 24.1 Ų | 24.1 | 28% | 0.275 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 157.5 | 159.4 | -66 | -178.7 | -71.4 | 159 | -3.5 | 111.5 | L268 D270 L287 V300 | L268-R272 HydrophobicContact CD1-CB 4.18Å; L268-R272 HydrophobicContact CG-CB 4.44Å; L268-R272 PolarHBondContact N-O 3.43Å; D270-R272 VanDerWaalsContact OD1-CB 3.31Å; D270-R272 WeakPolarHBondContact OD1-CB 3.31Å; D270-R272 WeakPolarHBondContact OD1-CG 3.06Å; D270-R272 PolarHBondContact OD1-N 2.88Å; D270-R272 IonicContact OD1-NE 2.65Å; D270-R272 PolarHBondContact OD1-NE 2.81Å; D270-R272 IonicContact OD2-CZ 2.72Å; D270-R272 IonicContact OD2-NE 3.08Å; D270-R272 PolarHBondContact OD2-NE 2.94Å; D270-R272 IonicContact OD2-NH2 3.64Å; D270-R272 PolarHBondContact OD2-NH2 2.83Å; R272-L287 CarbonylContact C-O 3.52Å; R272-L287 VanDerWaalsContact CA-O 3.27Å; R272-L287 WeakPolarHBondContact CA-O 3.33Å; R272-V300 WeakPolarHBondContact O-CG2 3.2Å |
| 273 | I | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.3 | 162.6 | -54 | 162.9 | 0 | 0 | 0 | 106.9 | A265 A266 D286 L287 V300 M303 I318 A320 Y322 | A265-I273 HydrophobicContact CB-CG2 3.88Å; A266-I273 CarbonylContact O-C 3.54Å; A266-I273 VanDerWaalsContact O-CA 3.28Å; A266-I273 WeakPolarHBondContact O-CA 3.42Å; I273-D286 CarbonylContact O-C 3.57Å; I273-D286 VanDerWaalsContact O-C 3.29Å; I273-D286 VanDerWaalsContact O-CA 3.22Å; I273-D286 WeakPolarHBondContact O-CA 3.41Å; I273-L287 HydrophobicContact CB-CB 4.09Å; I273-L287 HydrophobicContact CB-CD1 4.15Å; I273-L287 HydrophobicContact CB-CG 4.38Å; I273-L287 HydrophobicContact CD1-CB 4.48Å; I273-L287 HydrophobicContact CD1-CD1 4.08Å; I273-L287 HydrophobicContact CG2-CD1 4.33Å; I273-L287 PolarHBondContact N-O 2.91Å; I273-L287 PolarHBondContact O-N 2.77Å; I273-V300 HydrophobicContact CG1-CG1 4.27Å; I273-V300 HydrophobicContact CG1-CG2 3.97Å; I273-M303 HydrophobicContact CB-SD 4.3Å; I273-M303 HydrophobicContact CD1-CG 4.49Å; I273-M303 HydrophobicContact CD1-SD 3.73Å; I273-M303 HydrophobicContact CG1-SD 3.79Å; I273-M303 HydrophobicContact CG2-CE 4.34Å; I273-M303 HydrophobicContact CG2-SD 3.52Å; I273-M303 VanDerWaalsContact CG2-SD 3.52Å; I273-I318 HydrophobicContact CD1-CG2 4.45Å; I273-A320 HydrophobicContact CD1-CB 3.55Å; I273-Y322 WeakPolarHBondContact CD1-OH 3.32Å |
| 274 | L | 96 | Very high | 92.9 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.9 | 175.7 | -58.6 | -179.8 | 0 | 0 | 0 | 109.6 | V247 A248 A265 A266 L268 V283 D286 | V247-L274 HydrophobicContact CG1-CB 4.46Å; V247-L274 HydrophobicContact CG1-CD1 3.87Å; V247-L274 WeakPolarHBondContact O-CD1 3.26Å; A248-L274 HydrophobicContact CB-CD1 4.02Å; A265-L274 CarbonylContact C-O 3.58Å; A265-L274 WeakPolarHBondContact CA-O 3.33Å; A266-L274 PolarHBondContact N-O 3.44Å; A266-L274 PolarHBondContact O-N 3.44Å; L268-L274 HydrophobicContact CD1-CD1 4.04Å; L268-L274 HydrophobicContact CD1-CG 4.25Å; L274-V283 HydrophobicContact CB-CG1 4.48Å; L274-V283 HydrophobicContact CD2-CG1 4.46Å; L274-D286 HydrophobicContact CD2-CB 3.58Å |
| 275 | I | 96.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.2 | 171 | -61.5 | 179.1 | 0 | 0 | 0 | 107.9 | I258 V283 T284 T285 L287 F316 I318 V335 | I258-I275 HydrophobicContact CD1-CG2 4.25Å; I275-V283 CarbonylContact O-C 3.58Å; I275-T284 PolarHBondContact O-N 2.87Å; I275-T285 HydrophobicContact CB-CG2 4.39Å; I275-T285 HydrophobicContact CD1-CG2 4.14Å; I275-T285 PolarHBondContact N-O 3.22Å; I275-T285 PolarHBondContact O-N 3.35Å; I275-L287 HydrophobicContact CD1-CD1 4.23Å; I275-L287 HydrophobicContact CD1-CG 4.46Å; I275-F316 HydrophobicContact CD1-CZ 4.46Å; I275-I318 HydrophobicContact CD1-CD1 4Å; I275-I318 HydrophobicContact CG1-CD1 4.34Å; I275-V335 HydrophobicContact CD1-CG1 4.01Å; I275-V335 HydrophobicContact CD1-CG2 3.77Å |
| 276 | Y | 94.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 7% | 0.067 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.3 | -171.9 | -155.4 | -69.8 | 0 | 0 | 0 | 110.8 | M245 V247 G263 Y264 F281 D282 V283 | M245-Y276 HydrophobicContact CE-CD1 3.59Å; M245-Y276 HydrophobicContact CE-CE1 3.05Å; M245-Y276 HydrophobicContact CE-CE2 4.27Å; M245-Y276 HydrophobicContact CE-CG 4.39Å; M245-Y276 VanDerWaalsContact CE-CZ 3.45Å; V247-Y276 HydrophobicContact CB-CE2 4.5Å; V247-Y276 HydrophobicContact CG1-CD2 3.91Å; V247-Y276 HydrophobicContact CG1-CE2 4.27Å; V247-Y276 HydrophobicContact CG2-CD2 4.02Å; V247-Y276 HydrophobicContact CG2-CE2 3.86Å; G263-Y276 CarbonylContact C-O 3.59Å; G263-Y276 WeakPolarHBondContact CA-O 3.42Å; Y264-Y276 HydrophobicContact CE2-CD2 4.4Å; Y264-Y276 HydrophobicContact CE2-CG 4.02Å; Y264-Y276 AromaticContact CZ-CG 3.87Å; Y264-Y276 PolarHBondContact N-O 3.39Å; Y264-Y276 VanDerWaalsContact N-O 3.11Å; Y264-Y276 PolarHBondContact O-N 3.31Å; Y276-F281 PolarHBondContact OH-O 2.78Å; Y276-D282 VanDerWaalsContact CD1-O 3.31Å; Y276-D282 WeakPolarHBondContact CD1-O 3.49Å; Y276-V283 HydrophobicContact CD2-CG2 3.62Å; Y276-V283 HydrophobicContact CE2-CG2 3.71Å |
| 277 | D | 92 | Very high | 92.4 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.4 | 178.5 | 175.7 | 20.2 | 0 | 0 | 0 | 111.1 | I279 N280 F281 D282 T284 | D277-I279 VanDerWaalsContact OD1-CB 3.29Å; D277-I279 WeakPolarHBondContact OD1-CB 3.45Å; D277-I279 WeakPolarHBondContact OD1-CG1 3.28Å; D277-I279 PolarHBondContact OD1-N 2.82Å; D277-N280 WeakPolarHBondContact OD2-CB 3.49Å; D277-N280 PolarHBondContact OD2-N 2.82Å; D277-N280 PolarHBondContact OD2-ND2 2.69Å; D277-F281 VanDerWaalsContact O-CA 3.25Å; D277-F281 WeakPolarHBondContact O-CA 3.15Å; D277-F281 PolarHBondContact O-N 3.36Å; D277-D282 PolarHBondContact N-O 3.32Å; D277-D282 PolarHBondContact O-N 2.8Å; D277-T284 WeakPolarHBondContact CB-OG1 3.46Å |
| 278 | L | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -7.6 | 179.1 | -67.7 | 173.3 | 0 | 0 | 0 | 113.4 | L156 I160 T164 L166 L184 M245 P262 Y264 F281 | L156-L278 HydrophobicContact CD1-CD1 3.98Å; I160-L278 HydrophobicContact CG2-CD1 4.03Å; T164-L278 VanDerWaalsContact CB-O 3.26Å; T164-L278 WeakPolarHBondContact CB-O 3.37Å; T164-L278 HydrophobicContact CG2-CB 3.69Å; L166-L278 HydrophobicContact CD1-CD2 4.46Å; L184-L278 HydrophobicContact CD1-CD1 4.44Å; L184-L278 HydrophobicContact CD1-CD2 3.47Å; L184-L278 VanDerWaalsContact CD1-CD2 3.47Å; M245-L278 HydrophobicContact CE-CD2 3.78Å; M245-L278 HydrophobicContact SD-CD2 4.35Å; P262-L278 WeakPolarHBondContact O-CB 3.39Å; P262-L278 PolarHBondContact O-N 3.21Å; Y264-L278 HydrophobicContact CD1-CD1 4.17Å; Y264-L278 HydrophobicContact CD1-CD2 4.37Å; Y264-L278 HydrophobicContact CD1-CG 4.4Å; Y264-L278 HydrophobicContact CE1-CD2 3.96Å; Y264-L278 HydrophobicContact CE1-CG 4.47Å; L278-F281 VanDerWaalsContact O-CD2 3.29Å; L278-F281 WeakPolarHBondContact O-CD2 2.94Å; L278-F281 WeakPolarHBondContact O-CE2 3.44Å |
| 279 | I | 88.9 | Confident | 90.7 | Very high | 72 Ų | 72 | 34.1 Ų | 34.1 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -53.3 | 171.2 | -56.6 | 173.9 | 0 | 0 | 0 | 109 | T164 R165 P262 D277 | T164-I279 HydrophobicContact CG2-CG1 4.11Å; R165-I279 PolarHBondContact NE-O 2.87Å; R165-I279 VanDerWaalsContact NE-O 3.09Å; R165-I279 PolarHBondContact NH2-O 2.9Å; P262-I279 HydrophobicContact CB-CD1 4.32Å; P262-I279 HydrophobicContact CB-CG1 4.27Å; P262-I279 HydrophobicContact CG-CD1 4.2Å; D277-I279 VanDerWaalsContact OD1-CB 3.29Å; D277-I279 WeakPolarHBondContact OD1-CB 3.45Å; D277-I279 WeakPolarHBondContact OD1-CG1 3.28Å; D277-I279 PolarHBondContact OD1-N 2.82Å |
| 280 | N | 87.4 | Confident | 89.2 | Confident | 84 Ų | 84 | 33.3 Ų | 33.3 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -25.3 | -176.5 | -67.9 | -57.1 | 0 | 0 | 0 | 114.1 | D277 D282 | D277-N280 WeakPolarHBondContact OD2-CB 3.49Å; D277-N280 PolarHBondContact OD2-N 2.82Å; D277-N280 PolarHBondContact OD2-ND2 2.69Å; N280-D282 WeakPolarHBondContact CB-OD1 3.42Å |
| 281 | F | 89 | Confident | 87.7 | Confident | 10 Ų | 10 | 34.3 Ų | 34.3 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 53.1 | -172 | -72.6 | -107.8 | 0 | 0 | 0 | 112.9 | R165 L166 V243 M245 Y276 D277 L278 | R165-F281 HydrophobicContact CB-CE2 3.76Å; R165-F281 HydrophobicContact CB-CZ 4.25Å; R165-F281 HydrophobicContact CG-CD2 4.35Å; R165-F281 HydrophobicContact CG-CE2 3.74Å; L166-F281 HydrophobicContact CD1-CZ 4.47Å; L166-F281 HydrophobicContact CD2-CE1 4.49Å; L166-F281 HydrophobicContact CD2-CZ 3.93Å; L166-F281 HydrophobicContact CG-CZ 4.01Å; V243-F281 HydrophobicContact CG1-CE1 4.2Å; M245-F281 HydrophobicContact CE-CD1 4.04Å; M245-F281 HydrophobicContact CE-CE1 4.43Å; M245-F281 HydrophobicContact SD-CD1 4.1Å; M245-F281 HydrophobicContact SD-CE1 4.06Å; Y276-F281 PolarHBondContact OH-O 2.78Å; D277-F281 VanDerWaalsContact O-CA 3.25Å; D277-F281 WeakPolarHBondContact O-CA 3.15Å; D277-F281 PolarHBondContact O-N 3.36Å; L278-F281 VanDerWaalsContact O-CD2 3.29Å; L278-F281 WeakPolarHBondContact O-CD2 2.94Å; L278-F281 WeakPolarHBondContact O-CE2 3.44Å |
| 282 | D | 90.2 | Very high | 86 | Confident | 79 Ų | 79 | 42 Ų | 42 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 167.1 | 178.1 | 54.2 | 16.6 | 0 | 0 | 0 | 113.2 | Y276 D277 N280 | Y276-D282 VanDerWaalsContact CD1-O 3.31Å; Y276-D282 WeakPolarHBondContact CD1-O 3.49Å; D277-D282 PolarHBondContact N-O 3.32Å; D277-D282 PolarHBondContact O-N 2.8Å; N280-D282 WeakPolarHBondContact CB-OD1 3.42Å |
| 283 | V | 92.3 | Very high | 84.1 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 112.7 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | L274 I275 Y276 | L274-V283 HydrophobicContact CB-CG1 4.48Å; L274-V283 HydrophobicContact CD2-CG1 4.46Å; I275-V283 CarbonylContact O-C 3.58Å; Y276-V283 HydrophobicContact CD2-CG2 3.62Å; Y276-V283 HydrophobicContact CE2-CG2 3.71Å |
| 284 | T | 92.3 | Very high | 81.9 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -45.5 | 178.9 | -38.5 | 0 | 0 | 0 | 0 | 111.5 | I275 D277 Y354 | I275-T284 PolarHBondContact O-N 2.87Å; D277-T284 WeakPolarHBondContact CB-OG1 3.46Å; T284-Y354 HydrophobicContact CG2-CD1 4.38Å; T284-Y354 HydrophobicContact CG2-CG 3.96Å |
| 285 | T | 93.9 | Very high | 79.9 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.08 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 154 | 173.7 | -157.1 | 0 | 0 | 0 | 0 | 111.7 | I275 L287 Y354 | I275-T285 HydrophobicContact CB-CG2 4.39Å; I275-T285 HydrophobicContact CD1-CG2 4.14Å; I275-T285 PolarHBondContact N-O 3.22Å; I275-T285 PolarHBondContact O-N 3.35Å; T285-L287 HydrophobicContact CG2-CD2 4.38Å; T285-Y354 HydrophobicContact CG2-CE1 4.4Å; T285-Y354 HydrophobicContact CG2-CE2 3.9Å; T285-Y354 PolarHBondContact OG1-OH 3.12Å; T285-Y354 VanDerWaalsContact OG1-OH 3.11Å |
| 286 | D | 92.4 | Very high | 78.1 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 23% | 0.225 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 166.1 | 162.8 | 64.6 | -55.4 | 0 | 0 | 0 | 111 | I273 L274 N288 R357 | I273-D286 CarbonylContact O-C 3.57Å; I273-D286 VanDerWaalsContact O-C 3.29Å; I273-D286 VanDerWaalsContact O-CA 3.22Å; I273-D286 WeakPolarHBondContact O-CA 3.41Å; L274-D286 HydrophobicContact CD2-CB 3.58Å; D286-N288 PolarHBondContact OD2-ND2 3.44Å; D286-R357 VanDerWaalsContact CG-CZ 3.45Å; D286-R357 WeakPolarHBondContact O-CD 3.25Å; D286-R357 PolarHBondContact O-NE 2.63Å; D286-R357 PolarHBondContact O-NH1 3.17Å; D286-R357 IonicContact OD1-CZ 3.64Å; D286-R357 IonicContact OD1-NH1 3.98Å; D286-R357 PolarHBondContact OD1-NH1 3.18Å; D286-R357 IonicContact OD1-NH2 2.69Å; D286-R357 PolarHBondContact OD1-NH2 3.43Å; D286-R357 IonicContact OD2-CZ 3.86Å; D286-R357 VanDerWaalsContact OD2-CZ 3.27Å; D286-R357 IonicContact OD2-NH1 3.42Å; D286-R357 PolarHBondContact OD2-NH1 3.33Å; D286-R357 IonicContact OD2-NH2 3.15Å; D286-R357 PolarHBondContact OD2-NH2 2.91Å |
| 287 | L | 91.7 | Very high | 76.7 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.2 | 165 | -51.9 | 172.5 | 0 | 0 | 0 | 107 | R272 I273 I275 T285 I318 H333 V335 R357 | R272-L287 CarbonylContact C-O 3.52Å; R272-L287 VanDerWaalsContact CA-O 3.27Å; R272-L287 WeakPolarHBondContact CA-O 3.33Å; I273-L287 HydrophobicContact CB-CB 4.09Å; I273-L287 HydrophobicContact CB-CD1 4.15Å; I273-L287 HydrophobicContact CB-CG 4.38Å; I273-L287 HydrophobicContact CD1-CB 4.48Å; I273-L287 HydrophobicContact CD1-CD1 4.08Å; I273-L287 HydrophobicContact CG2-CD1 4.33Å; I273-L287 PolarHBondContact N-O 2.91Å; I273-L287 PolarHBondContact O-N 2.77Å; I275-L287 HydrophobicContact CD1-CD1 4.23Å; I275-L287 HydrophobicContact CD1-CG 4.46Å; T285-L287 HydrophobicContact CG2-CD2 4.38Å; L287-I318 HydrophobicContact CD1-CD1 4.18Å; L287-H333 HydrophobicContact CD1-CB 3.86Å; L287-H333 HydrophobicContact CD2-CB 4.38Å; L287-V335 HydrophobicContact CD2-CG2 4.31Å; L287-R357 HydrophobicContact CD2-CB 3.8Å; L287-R357 HydrophobicContact CD2-CG 4.49Å |
| 288 | N | 81.4 | Confident | 76.2 | Confident | 40 Ų | 40 | 70 Ų | 70 | 21% | 0.214 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.8 | -176.3 | -73.2 | -78.6 | 0 | 0 | 0 | 111.8 | D286 R357 | D286-N288 PolarHBondContact OD2-ND2 3.44Å; N288-R357 PolarHBondContact ND2-NH1 3.18Å |
| 289 | S | 74 | Confident | 76 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 11% | 0.112 | 38% | 0.375 | C | S | . | . | trans | -60.2 | 129.7 | 152.1 | 177.7 | 0 | 0 | 0 | 0 | 110 | G271 V291 | G271-S289 PolarHBondContact O-N 3.16Å; S289-V291 VanDerWaalsContact C-N 3.28Å; S289-V291 PolarHBondContact O-N 2.88Å | ||
| 290 | P | 59.9 | Low | 76.3 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -73.9 | -18.7 | -179.7 | 29.7 | -33.2 | 0 | 0 | 0 | 112.6 | K292 M331 | P290-K292 PolarHBondContact O-N 2.86Å; P290-M331 WeakPolarHBondContact CD-SD 3.48Å; P290-M331 HydrophobicContact CG-SD 3.95Å |
| 291 | V | 58.5 | Low | 76.6 | Confident | 51 Ų | 51 | 67.5 Ų | 67.5 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | trans | -93.2 | 74.8 | -176.4 | -171 | 0 | 0 | 0 | 0 | 110.7 | S289 R293 | S289-V291 VanDerWaalsContact C-N 3.28Å; S289-V291 PolarHBondContact O-N 2.88Å; V291-R293 HydrophobicContact CG1-CB 4.24Å; V291-R293 HydrophobicContact CG1-CG 3.98Å; V291-R293 PolarHBondContact O-N 3.38Å | ||
| 292 | K | 54.3 | Low | 76.9 | Confident | 164 Ų | 164 | 72.8 Ų | 72.8 | 71% | 0.713 | 37% | 0.374 | S | S | * | . | trans | -77.6 | 54.8 | 166.5 | -67.2 | -171.4 | 179.1 | -179 | 0 | 111.7 | P290 K294 | P290-K292 PolarHBondContact O-N 2.86Å; K292-K294 PolarHBondContact O-N 3.06Å | ||
| 293 | R | 54 | Low | 77.2 | Confident | 204 Ų | 204 | 69.9 Ų | 69.9 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | trans | -67.2 | 114.6 | 163.6 | -85.9 | -172 | 172.8 | -175.1 | -2.4 | 107.2 | V291 G295 V296 | V291-R293 HydrophobicContact CG1-CB 4.24Å; V291-R293 HydrophobicContact CG1-CG 3.98Å; V291-R293 PolarHBondContact O-N 3.38Å; R293-G295 PolarHBondContact O-N 2.89Å; R293-G295 VanDerWaalsContact O-N 3.16Å; R293-V296 PolarHBondContact O-N 3.03Å | ||
| 294 | K | 48 | Very low | 77.4 | Confident | 216 Ų | 216 | 67.2 Ų | 67.2 | 94% | 0.939 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 120 | -176 | -69.1 | -179 | 177.7 | 177.9 | 0 | 110.3 | K292 | K292-K294 PolarHBondContact O-N 3.06Š|
| 295 | G | 54.9 | Low | 77.5 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 79% | 0.794 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.3 | -14.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | R293 | R293-G295 PolarHBondContact O-N 2.89Å; R293-G295 VanDerWaalsContact O-N 3.16Å |
| 296 | V | 57.7 | Low | 77.5 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | trans | -124.2 | 82.4 | -177.6 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | R293 N324 | R293-V296 PolarHBondContact O-N 3.03Å; V296-N324 HydrophobicContact CG1-CB 4.27Å; V296-N324 VanDerWaalsContact CG1-ND2 3.32Å; V296-N324 WeakPolarHBondContact CG1-ND2 3.48Å | ||
| 297 | N | 65.5 | Low | 77.4 | Confident | 111 Ų | 111 | 67.5 Ų | 67.5 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | trans | -66.5 | 151.8 | 168.6 | -71.2 | -2.5 | 0 | 0 | 0 | 110.4 | ||||
| 298 | R | 80.5 | Confident | 77.1 | Confident | 37 Ų | 37 | 68 Ų | 68 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | trans | -128.8 | 104.4 | 178.7 | -61.4 | -173.7 | 166.7 | -155.1 | -20.8 | 108.9 | G271 Y322 Q323 N324 | G271-R298 WeakPolarHBondContact CA-O 3.48Å; G271-R298 PolarHBondContact N-O 2.86Å; R298-Y322 HydrophobicContact CB-CD1 4.49Å; R298-Q323 CarbonylContact C-O 3.59Å; R298-Q323 WeakPolarHBondContact CA-O 3.27Å; R298-N324 HydrophobicContact CG-CB 4.12Å; R298-N324 PolarHBondContact NE-OD1 3.3Å; R298-N324 PolarHBondContact NH2-OD1 2.72Å; R298-N324 VanDerWaalsContact NH2-OD1 3.12Å | ||
| 299 | A | 90.1 | Very high | 76.9 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 142.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E269 K301 Y322 Q323 | E269-A299 HydrophobicContact CB-CB 4.47Å; E269-A299 WeakPolarHBondContact O-CA 3.5Å; A299-K301 PolarHBondContact O-N 2.82Å; A299-Y322 WeakPolarHBondContact O-CA 3.5Å; A299-Q323 PolarHBondContact N-O 2.76Å; A299-Q323 PolarHBondContact O-N 3.02Å |
| 300 | V | 94.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 108.2 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | S253 C254 L268 R272 I273 M303 A320 Y322 | S253-V300 WeakPolarHBondContact CB-O 3.1Å; S253-V300 PolarHBondContact OG-O 2.84Å; C254-V300 PolarHBondContact SG-O 2.79Å; L268-V300 PolarHBondContact O-N 2.89Å; R272-V300 WeakPolarHBondContact O-CG2 3.2Å; I273-V300 HydrophobicContact CG1-CG1 4.27Å; I273-V300 HydrophobicContact CG1-CG2 3.97Å; V300-M303 HydrophobicContact CG1-CG 3.64Å; V300-M303 HydrophobicContact CG1-SD 4Å; V300-A320 HydrophobicContact CG1-CB 4.26Å; V300-Y322 HydrophobicContact CG2-CD1 4.05Å; V300-Y322 HydrophobicContact CG2-CE1 3.61Å |
| 301 | K | 93.1 | Very high | 78.6 | Confident | 88 Ų | 88 | 72.5 Ų | 72.5 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -39.8 | -173.9 | -66.1 | -63.8 | -169.8 | 177.7 | 0 | 113.6 | A299 L321 Q323 V372 | A299-K301 PolarHBondContact O-N 2.82Å; K301-L321 PolarHBondContact N-O 2.9Å; K301-Q323 HydrophobicContact CG-CB 3.68Å; K301-V372 HydrophobicContact CB-CG2 4.15Å |
| 302 | R | 95.2 | Very high | 80 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 46% | 0.457 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 155.2 | 177.6 | -69.1 | -63.9 | -171.3 | -126.6 | 8.1 | 110.2 | L321 V372 C375 | R302-L321 HydrophobicContact CB-CD1 4.35Å; R302-L321 PolarHBondContact O-N 2.78Å; R302-V372 HydrophobicContact CB-CG1 4.21Å; R302-V372 HydrophobicContact CG-CG1 3.63Å; R302-C375 HydrophobicContact CB-CB 3.61Å; R302-C375 HydrophobicContact CG-CB 4.48Å |
| 303 | M | 96.8 | Very high | 81.6 | Confident | 17 Ų | 17 | 73.6 Ų | 73.6 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.2 | 174.6 | -58 | -177.9 | -69.1 | 0 | 0 | 109.6 | M256 A265 I273 V300 I318 C319 A320 | M256-M303 HydrophobicContact CB-CE 4.13Å; M256-M303 HydrophobicContact CE-CB 4.22Å; M256-M303 HydrophobicContact SD-CB 4.13Å; A265-M303 HydrophobicContact CB-CE 3.94Å; A265-M303 HydrophobicContact CB-SD 4.31Å; A265-M303 WeakPolarHBondContact O-CE 3.49Å; I273-M303 HydrophobicContact CB-SD 4.3Å; I273-M303 HydrophobicContact CD1-CG 4.49Å; I273-M303 HydrophobicContact CD1-SD 3.73Å; I273-M303 HydrophobicContact CG1-SD 3.79Å; I273-M303 HydrophobicContact CG2-CE 4.34Å; I273-M303 HydrophobicContact CG2-SD 3.52Å; I273-M303 VanDerWaalsContact CG2-SD 3.52Å; V300-M303 HydrophobicContact CG1-CG 3.64Å; V300-M303 HydrophobicContact CG1-SD 4Å; M303-I318 HydrophobicContact CB-CG2 4.19Å; M303-I318 HydrophobicContact CG-CG2 4.49Å; M303-I318 HydrophobicContact SD-CG2 4.41Å; M303-C319 CarbonylContact C-O 3.48Å; M303-C319 VanDerWaalsContact CA-O 3.22Å; M303-C319 WeakPolarHBondContact CA-O 3.43Å; M303-A320 HydrophobicContact CG-CB 3.98Å |
| 304 | C | 96.9 | Very high | 83.4 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 157.1 | 164.2 | 72.7 | 0 | 0 | 0 | 0 | 110.3 | M256 I318 C319 T377 | M256-C304 WeakPolarHBondContact SD-CA 3.28Å; C304-I318 CarbonylContact O-C 3.53Å; C304-I318 WeakPolarHBondContact O-CA 3.22Å; C304-C319 PolarHBondContact N-O 2.67Å; C304-C319 PolarHBondContact O-N 3.21Å; C304-T377 HydrophobicContact CB-CG2 4.37Å |
| 305 | L | 95.5 | Very high | 85.5 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.1 | -179.7 | -174.1 | 152.4 | 0 | 0 | 0 | 109.9 | M256 I258 M260 F316 Y317 T377 | M256-L305 HydrophobicContact CE-CB 3.93Å; M256-L305 HydrophobicContact SD-CB 3.94Å; M256-L305 PolarHBondContact SD-N 3.28Å; I258-L305 HydrophobicContact CB-CD1 4.43Å; I258-L305 HydrophobicContact CD1-CD1 4.27Å; I258-L305 HydrophobicContact CG1-CD1 3.94Å; I258-L305 HydrophobicContact CG2-CD1 3.93Å; M260-L305 HydrophobicContact CE-CD2 3.5Å; M260-L305 HydrophobicContact SD-CD1 4.47Å; M260-L305 HydrophobicContact SD-CD2 3.9Å; L305-F316 HydrophobicContact CD1-CD2 3.59Å; L305-F316 HydrophobicContact CD1-CE2 3.74Å; L305-F316 HydrophobicContact CD1-CG 4.21Å; L305-F316 HydrophobicContact CD1-CZ 4.45Å; L305-F316 HydrophobicContact CD2-CB 4.36Å; L305-F316 HydrophobicContact CG-CD2 3.91Å; L305-F316 HydrophobicContact CG-CE2 4.49Å; L305-F316 HydrophobicContact CG-CG 4.47Å; L305-Y317 WeakPolarHBondContact CA-O 3.17Å; L305-T377 WeakPolarHBondContact O-CG2 3.19Å |
| 306 | I | 93.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.5 | 178.4 | -171.4 | 169 | 0 | 0 | 0 | 109.4 | Y317 L332 T377 L390 I392 I411 | I306-Y317 PolarHBondContact N-O 2.92Å; I306-Y317 PolarHBondContact O-N 2.81Å; I306-L332 HydrophobicContact CG2-CD1 4.24Å; I306-T377 HydrophobicContact CB-CG2 3.9Å; I306-T377 HydrophobicContact CD1-CG2 4.46Å; I306-T377 HydrophobicContact CG1-CG2 4.32Å; I306-L390 HydrophobicContact CD1-CD2 4.23Å; I306-L390 HydrophobicContact CD1-CG 3.81Å; I306-L390 HydrophobicContact CG1-CD1 4.32Å; I306-L390 HydrophobicContact CG1-CD2 3.73Å; I306-L390 HydrophobicContact CG1-CG 3.76Å; I306-I392 HydrophobicContact CD1-CD1 4.09Å; I306-I392 HydrophobicContact CD1-CG1 3.48Å; I306-I392 VanDerWaalsContact CD1-CG1 3.48Å; I306-I392 HydrophobicContact CG2-CD1 4.21Å; I306-I392 HydrophobicContact CG2-CG1 4.43Å; I306-I411 HydrophobicContact CD1-CB 3.77Å; I306-I411 HydrophobicContact CD1-CD1 4.47Å; I306-I411 HydrophobicContact CD1-CG1 4.15Å; I306-I411 HydrophobicContact CD1-CG2 4Å |
| 307 | M | 88.9 | Confident | 89.1 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 32% | 0.315 | 25% | 0.251 | S | S | . | . | trans | -132.8 | 100.3 | -177.9 | -176.3 | -167.3 | 77.8 | 0 | 0 | 108.5 | M260 F316 F351 L390 | M260-M307 HydrophobicContact CE-CB 4Å; M260-M307 HydrophobicContact CE-CG 4.26Å; M260-M307 HydrophobicContact CE-SD 3.56Å; M260-M307 VanDerWaalsContact CE-SD 3.56Å; M260-M307 HydrophobicContact SD-CB 4.38Å; M260-M307 HydrophobicContact SD-CG 4.3Å; M260-M307 HydrophobicContact SD-SD 3.85Å; M307-F316 HydrophobicContact CB-CB 4.41Å; M307-F351 HydrophobicContact SD-CZ 4.33Å; M307-L390 WeakPolarHBondContact O-CD2 3.39Å | ||
| 308 | P | 86.3 | Confident | 90.6 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | trans | -58.9 | 137.2 | 171.4 | -23.7 | 35.9 | 0 | 0 | 0 | 110.3 | D310 Y317 I411 Y415 | P308-D310 VanDerWaalsContact C-N 3.32Å; P308-Y317 HydrophobicContact CG-CD2 4.41Å; P308-Y317 HydrophobicContact CG-CE2 4.24Å; P308-I411 HydrophobicContact CG-CG1 3.94Å; P308-I411 HydrophobicContact CG-CG2 4.48Å; P308-Y415 HydrophobicContact CG-CE2 4.12Å | ||
| 309 | P | 77.3 | Confident | 91.4 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -33 | 178.1 | 24.9 | -30.4 | 0 | 0 | 0 | 112.4 | F381 | P309-F381 HydrophobicContact CG-CE1 4.03Å; P309-F381 HydrophobicContact CG-CE2 3.82Å; P309-F381 HydrophobicContact CG-CZ 3.52Å |
| 310 | D | 81.8 | Confident | 91.7 | Very high | 138 Ų | 138 | 40.5 Ų | 40.5 | 74% | 0.738 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 14.5 | -167.5 | -51.1 | -56.1 | 0 | 0 | 0 | 114.7 | P308 P312 | P308-D310 VanDerWaalsContact C-N 3.32Å; D310-P312 WeakPolarHBondContact O-CD 3.38Å |
| 311 | D | 88.2 | Confident | 91.8 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | trans | -67.8 | 126.7 | 175.8 | -164.6 | -76 | 0 | 0 | 0 | 110.5 | K313 C315 Y415 | D311-K313 PolarHBondContact O-N 2.69Å; D311-K313 WeakPolarHBondContact OD1-CA 3.11Å; D311-K313 WeakPolarHBondContact OD1-CB 3.46Å; D311-K313 PolarHBondContact OD1-N 3.13Å; D311-C315 VanDerWaalsContact CG-SG 3.58Å; D311-Y415 WeakPolarHBondContact OD2-CE1 3.21Å; D311-Y415 PolarHBondContact OD2-OH 2.79Å | ||
| 312 | P | 87.6 | Confident | 91.8 | Very high | 117 Ų | 117 | 36.3 Ų | 36.3 | 76% | 0.76 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -69.2 | 0.9 | -178.7 | 29.2 | -37 | 0 | 0 | 0 | 113.8 | D310 | D310-P312 WeakPolarHBondContact O-CD 3.38Š|
| 313 | K | 87.8 | Confident | 91.5 | Very high | 121 Ų | 121 | 31.8 Ų | 31.8 | 53% | 0.526 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -123 | 142.3 | 175.2 | -64 | 156.4 | -171.7 | 153.1 | 0 | 109.9 | D311 C315 | D311-K313 PolarHBondContact O-N 2.69Å; D311-K313 WeakPolarHBondContact OD1-CA 3.11Å; D311-K313 WeakPolarHBondContact OD1-CB 3.46Å; D311-K313 PolarHBondContact OD1-N 3.13Å; K313-C315 VanDerWaalsContact C-N 3.33Å; K313-C315 PolarHBondContact O-N 3.06Å |
| 314 | P | 90.6 | Very high | 91 | Very high | 30 Ų | 30 | 32 Ų | 32 | 20% | 0.195 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -66.7 | 92.1 | 171.3 | 28.3 | -33.6 | 0 | 0 | 0 | 109.9 | Y337 F351 | P314-Y337 PolarHBondContact O-N 3.16Å; P314-F351 HydrophobicContact CB-CD1 3.5Å; P314-F351 VanDerWaalsContact CB-CD1 3.5Å; P314-F351 HydrophobicContact CB-CE1 3.53Å |
| 315 | C | 92.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 163.8 | -178.9 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | D311 K313 V335 C336 | D311-C315 VanDerWaalsContact CG-SG 3.58Å; K313-C315 VanDerWaalsContact C-N 3.33Å; K313-C315 PolarHBondContact O-N 3.06Å; C315-V335 WeakPolarHBondContact CA-O 3.18Å; C315-V335 VanDerWaalsContact CB-O 3.28Å; C315-V335 WeakPolarHBondContact CB-O 3.37Å; C315-C336 HydrophobicContact CB-CB 4.3Å |
| 316 | F | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 168.9 | 167.3 | 61.8 | -96.7 | 0 | 0 | 0 | 109.1 | I258 M260 A261 I275 L305 M307 I318 V335 Y337 F351 | I258-F316 HydrophobicContact CD1-CE2 4.28Å; I258-F316 HydrophobicContact CD1-CZ 4.15Å; I258-F316 HydrophobicContact CG2-CE1 4.49Å; I258-F316 HydrophobicContact CG2-CZ 4.27Å; M260-F316 HydrophobicContact CG-CD1 4.09Å; M260-F316 HydrophobicContact CG-CE1 4.36Å; M260-F316 HydrophobicContact SD-CB 3.65Å; M260-F316 HydrophobicContact SD-CD1 3.65Å; M260-F316 HydrophobicContact SD-CE1 4.44Å; M260-F316 HydrophobicContact SD-CG 3.79Å; A261-F316 HydrophobicContact CB-CE1 4.43Å; I275-F316 HydrophobicContact CD1-CZ 4.46Å; L305-F316 HydrophobicContact CD1-CD2 3.59Å; L305-F316 HydrophobicContact CD1-CE2 3.74Å; L305-F316 HydrophobicContact CD1-CG 4.21Å; L305-F316 HydrophobicContact CD1-CZ 4.45Å; L305-F316 HydrophobicContact CD2-CB 4.36Å; L305-F316 HydrophobicContact CG-CD2 3.91Å; L305-F316 HydrophobicContact CG-CE2 4.49Å; L305-F316 HydrophobicContact CG-CG 4.47Å; M307-F316 HydrophobicContact CB-CB 4.41Å; F316-I318 HydrophobicContact CD2-CG1 4.2Å; F316-I318 HydrophobicContact CE2-CD1 4.06Å; F316-I318 HydrophobicContact CE2-CG1 3.91Å; F316-V335 HydrophobicContact CD2-CB 4.24Å; F316-V335 HydrophobicContact CD2-CG2 4.34Å; F316-V335 HydrophobicContact CE1-CB 4.31Å; F316-V335 HydrophobicContact CE1-CG1 4.33Å; F316-V335 HydrophobicContact CE2-CB 3.88Å; F316-V335 HydrophobicContact CE2-CG1 4.39Å; F316-V335 HydrophobicContact CE2-CG2 3.85Å; F316-V335 HydrophobicContact CZ-CB 3.93Å; F316-V335 HydrophobicContact CZ-CG1 3.98Å; F316-V335 HydrophobicContact CZ-CG2 4.27Å; F316-V335 PolarHBondContact N-O 2.82Å; F316-V335 VanDerWaalsContact N-O 3.12Å; F316-V335 PolarHBondContact O-N 3.02Å; F316-Y337 HydrophobicContact CD1-CE2 4.31Å; F316-Y337 HydrophobicContact CE1-CD2 4.42Å; F316-Y337 AromaticContact CE1-CE2 3.59Å; F316-Y337 HydrophobicContact CE1-CE2 3.59Å; F316-Y337 HydrophobicContact CZ-CE2 4.34Å; F316-F351 HydrophobicContact CB-CE2 4.45Å; F316-F351 AromaticContact CD1-CD2 3.86Å; F316-F351 HydrophobicContact CD1-CD2 3.86Å; F316-F351 AromaticContact CD1-CE2 3.79Å; F316-F351 HydrophobicContact CD1-CE2 3.79Å; F316-F351 HydrophobicContact CE1-CD2 4.31Å |
| 317 | Y | 95.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.7 | 177.6 | -58.3 | -113.2 | 0 | 0 | 0 | 110.6 | L305 I306 P308 L332 H333 R360 W414 Y415 | L305-Y317 WeakPolarHBondContact CA-O 3.17Å; I306-Y317 PolarHBondContact N-O 2.92Å; I306-Y317 PolarHBondContact O-N 2.81Å; P308-Y317 HydrophobicContact CG-CD2 4.41Å; P308-Y317 HydrophobicContact CG-CE2 4.24Å; Y317-L332 HydrophobicContact CD1-CD1 4.39Å; Y317-L332 HydrophobicContact CD1-CD2 4.01Å; Y317-L332 HydrophobicContact CD1-CG 3.9Å; Y317-L332 HydrophobicContact CG-CD1 4.49Å; Y317-L332 HydrophobicContact CG-CG 4.48Å; Y317-H333 CarbonylContact C-O 3.54Å; Y317-H333 WeakPolarHBondContact CA-O 3.49Å; Y317-R360 HydrophobicContact CE1-CB 4.32Å; Y317-R360 HydrophobicContact CE1-CG 4.09Å; Y317-W414 AromaticContact CE1-CH2 3.95Å; Y317-W414 HydrophobicContact CE1-CH2 3.95Å; Y317-W414 AromaticContact CE1-CZ3 3.8Å; Y317-W414 HydrophobicContact CE1-CZ3 3.8Å; Y317-Y415 WeakPolarHBondContact CE2-OH 3.38Å; Y317-Y415 PolarHBondContact OH-OH 2.79Å |
| 318 | I | 97 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116.8 | 168.1 | -61.8 | -177 | 0 | 0 | 0 | 107.4 | M256 I258 A265 I273 I275 L287 M303 C304 F316 H333 | M256-I318 HydrophobicContact CE-CD1 3.86Å; M256-I318 HydrophobicContact CE-CG1 3.97Å; M256-I318 HydrophobicContact CE-CG2 3.97Å; I258-I318 HydrophobicContact CD1-CD1 4.39Å; A265-I318 HydrophobicContact CB-CD1 4.01Å; I273-I318 HydrophobicContact CD1-CG2 4.45Å; I275-I318 HydrophobicContact CD1-CD1 4Å; I275-I318 HydrophobicContact CG1-CD1 4.34Å; L287-I318 HydrophobicContact CD1-CD1 4.18Å; M303-I318 HydrophobicContact CB-CG2 4.19Å; M303-I318 HydrophobicContact CG-CG2 4.49Å; M303-I318 HydrophobicContact SD-CG2 4.41Å; C304-I318 CarbonylContact O-C 3.53Å; C304-I318 WeakPolarHBondContact O-CA 3.22Å; F316-I318 HydrophobicContact CD2-CG1 4.2Å; F316-I318 HydrophobicContact CE2-CD1 4.06Å; F316-I318 HydrophobicContact CE2-CG1 3.91Å; I318-H333 PolarHBondContact N-O 2.99Å; I318-H333 PolarHBondContact O-N 2.68Å |
| 319 | C | 97.1 | Very high | 90 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.6 | 163.1 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | M303 C304 M330 M331 L332 I392 | M303-C319 CarbonylContact C-O 3.48Å; M303-C319 VanDerWaalsContact CA-O 3.22Å; M303-C319 WeakPolarHBondContact CA-O 3.43Å; C304-C319 PolarHBondContact N-O 2.67Å; C304-C319 PolarHBondContact O-N 3.21Å; C319-M330 WeakPolarHBondContact SG-CG 3.4Å; C319-M331 WeakPolarHBondContact CA-O 3.5Å; C319-L332 HydrophobicContact CB-CD1 4.04Å; C319-I392 HydrophobicContact CB-CD1 4.12Å; C319-I392 HydrophobicContact CB-CG2 3.93Å |
| 320 | A | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I273 V300 M303 Y322 M331 | I273-A320 HydrophobicContact CD1-CB 3.55Å; V300-A320 HydrophobicContact CG1-CB 4.26Å; M303-A320 HydrophobicContact CG-CB 3.98Å; A320-Y322 HydrophobicContact CB-CD2 4.33Å; A320-Y322 HydrophobicContact CB-CE2 3.53Å; A320-Y322 WeakPolarHBondContact O-CD2 3.22Å; A320-M331 PolarHBondContact N-O 3.4Å; A320-M331 PolarHBondContact O-N 2.7Å |
| 321 | L | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 118.9 | 179.4 | -58.7 | -178.2 | 0 | 0 | 0 | 109.8 | K301 R302 L328 M330 L365 V372 C375 I394 | K301-L321 PolarHBondContact N-O 2.9Å; R302-L321 HydrophobicContact CB-CD1 4.35Å; R302-L321 PolarHBondContact O-N 2.78Å; L321-L328 HydrophobicContact CB-CD1 4.43Å; L321-M330 HydrophobicContact CD2-CB 4.21Å; L321-M330 HydrophobicContact CD2-CG 4.19Å; L321-L365 HydrophobicContact CD2-CD1 4.02Å; L321-V372 HydrophobicContact CD1-CG1 3.66Å; L321-C375 HydrophobicContact CD1-CB 3.75Å; L321-C375 HydrophobicContact CG-CB 4.22Å; L321-I394 HydrophobicContact CD1-CG2 3.84Å; L321-I394 HydrophobicContact CD2-CD1 4.19Å; L321-I394 HydrophobicContact CD2-CG1 4.34Å; L321-I394 HydrophobicContact CD2-CG2 3.91Å |
| 322 | Y | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.3 | -177.1 | -66.2 | -97.1 | 0 | 0 | 0 | 109.1 | G271 I273 R298 A299 V300 A320 Q329 M331 H333 | G271-Y322 WeakPolarHBondContact O-CE1 3.34Å; I273-Y322 WeakPolarHBondContact CD1-OH 3.32Å; R298-Y322 HydrophobicContact CB-CD1 4.49Å; A299-Y322 WeakPolarHBondContact O-CA 3.5Å; V300-Y322 HydrophobicContact CG2-CD1 4.05Å; V300-Y322 HydrophobicContact CG2-CE1 3.61Å; A320-Y322 HydrophobicContact CB-CD2 4.33Å; A320-Y322 HydrophobicContact CB-CE2 3.53Å; A320-Y322 WeakPolarHBondContact O-CD2 3.22Å; Y322-Q329 PolarHBondContact N-O 2.79Å; Y322-Q329 PolarHBondContact O-N 2.99Å; Y322-M331 HydrophobicContact CD1-CE 4Å; Y322-M331 HydrophobicContact CD2-CB 4.41Å; Y322-M331 HydrophobicContact CD2-CE 3.43Å; Y322-M331 VanDerWaalsContact CD2-CE 3.43Å; Y322-M331 HydrophobicContact CD2-CG 4.47Å; Y322-M331 HydrophobicContact CE1-CE 3.86Å; Y322-M331 HydrophobicContact CE2-CB 3.96Å; Y322-M331 HydrophobicContact CE2-CE 3.27Å; Y322-M331 HydrophobicContact CE2-CG 4.38Å; Y322-M331 HydrophobicContact CG-CE 3.79Å; Y322-H333 AromaticContact CE2-NE2 3.91Å; Y322-H333 AromaticContact CZ-NE2 3.79Å; Y322-H333 PolarHBondContact OH-NE2 2.73Å |
| 323 | Q | 89.8 | Confident | 92.1 | Very high | 26 Ų | 26 | 22 Ų | 22 | 12% | 0.121 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 137.7 | -178.2 | -172.1 | 176.2 | 11.6 | 0 | 0 | 111.9 | R298 A299 K301 L328 C370 | R298-Q323 CarbonylContact C-O 3.59Å; R298-Q323 WeakPolarHBondContact CA-O 3.27Å; A299-Q323 PolarHBondContact N-O 2.76Å; A299-Q323 PolarHBondContact O-N 3.02Å; K301-Q323 HydrophobicContact CG-CB 3.68Å; Q323-L328 HydrophobicContact CB-CD1 4.36Å; Q323-C370 PolarHBondContact NE2-O 3.34Å |
| 324 | N | 86 | Confident | 92.5 | Very high | 22 Ų | 22 | 16.2 Ų | 16.2 | 12% | 0.118 | 9% | 0.087 | C | C | . | . | trans | -124.9 | -172.1 | 154.5 | 72.6 | -57.5 | 0 | 0 | 0 | 109.6 | V296 R298 D326 V327 | V296-N324 HydrophobicContact CG1-CB 4.27Å; V296-N324 VanDerWaalsContact CG1-ND2 3.32Å; V296-N324 WeakPolarHBondContact CG1-ND2 3.48Å; R298-N324 HydrophobicContact CG-CB 4.12Å; R298-N324 PolarHBondContact NE-OD1 3.3Å; R298-N324 PolarHBondContact NH2-OD1 2.72Å; R298-N324 VanDerWaalsContact NH2-OD1 3.12Å; N324-D326 PolarHBondContact ND2-OD2 3.25Å; N324-D326 PolarHBondContact O-N 2.9Å; N324-V327 PolarHBondContact N-O 3.47Å; N324-V327 PolarHBondContact OD1-N 3.45Å | ||
| 325 | I | 80.6 | Confident | 92.7 | Very high | 131 Ų | 131 | 14.8 Ų | 14.8 | 67% | 0.672 | 8% | 0.078 | S | C | * | . | S | Bend | trans | -58.4 | -34.8 | -177.8 | -58.4 | 170.7 | 0 | 0 | 0 | 111.8 | G368 | I325-G368 CarbonylContact O-C 3.53Å; I325-G368 VanDerWaalsContact O-C 3.29Å |
| 326 | D | 83.7 | Confident | 92.8 | Very high | 96 Ų | 96 | 15.2 Ų | 15.2 | 51% | 0.513 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -100.8 | -16.6 | -169.7 | -15.7 | -66.6 | 0 | 0 | 0 | 115.2 | N324 G367 G368 | N324-D326 PolarHBondContact ND2-OD2 3.25Å; N324-D326 PolarHBondContact O-N 2.9Å; D326-G367 WeakPolarHBondContact O-CA 3.42Å; D326-G368 PolarHBondContact O-N 3.18Å |
| 327 | V | 89.9 | Confident | 92.7 | Very high | 25 Ų | 25 | 15.9 Ų | 15.9 | 15% | 0.152 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 136.5 | -170.7 | 178.7 | 0 | 0 | 0 | 0 | 112.9 | N324 Q329 I364 | N324-V327 PolarHBondContact N-O 3.47Å; N324-V327 PolarHBondContact OD1-N 3.45Å; V327-Q329 HydrophobicContact CG1-CB 4.25Å; V327-I364 HydrophobicContact CG1-CG1 4.27Å; V327-I364 HydrophobicContact CG1-CG2 3.85Å |
| 328 | L | 93.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.9 | 159.6 | -178.3 | 63.4 | 0 | 0 | 0 | 110.3 | L321 Q323 L365 D366 C370 V372 W396 | L321-L328 HydrophobicContact CB-CD1 4.43Å; Q323-L328 HydrophobicContact CB-CD1 4.36Å; L328-L365 HydrophobicContact CD2-CB 4.43Å; L328-L365 HydrophobicContact CD2-CD1 4.41Å; L328-L365 HydrophobicContact CG-CB 4.36Å; L328-L365 HydrophobicContact CG-CD1 4.4Å; L328-L365 PolarHBondContact O-N 3.26Å; L328-D366 HydrophobicContact CB-CB 4.41Å; L328-D366 PolarHBondContact N-O 3.44Å; L328-D366 PolarHBondContact O-N 3.22Å; L328-C370 HydrophobicContact CB-CB 4.33Å; L328-C370 HydrophobicContact CD2-CB 4.19Å; L328-V372 HydrophobicContact CD1-CG2 3.82Å; L328-W396 HydrophobicContact CD2-CB 3.89Å; L328-W396 HydrophobicContact CD2-CD2 3.58Å; L328-W396 HydrophobicContact CD2-CE3 4.1Å; L328-W396 HydrophobicContact CD2-CG 3.49Å; L328-W396 VanDerWaalsContact CD2-CG 3.49Å |
| 329 | Q | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.9 | -174.1 | -165.8 | -156.4 | -73.1 | 0 | 0 | 112.5 | Y322 V327 M331 R362 Q363 I364 | Y322-Q329 PolarHBondContact N-O 2.79Å; Y322-Q329 PolarHBondContact O-N 2.99Å; V327-Q329 HydrophobicContact CG1-CB 4.25Å; Q329-M331 PolarHBondContact NE2-SD 2.84Å; Q329-R362 VanDerWaalsContact CD-NE 3.32Å; Q329-Q363 CarbonylContact C-O 3.6Å; Q329-Q363 WeakPolarHBondContact CA-O 3.31Å; Q329-Q363 WeakPolarHBondContact CG-O 3.34Å; Q329-I364 HydrophobicContact CG-CG1 4.24Å |
| 330 | M | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 142.3 | 170.6 | -167 | -146.7 | 80.9 | 0 | 0 | 111.1 | C319 L321 L332 N361 R362 Q363 L365 I394 F409 M432 | C319-M330 WeakPolarHBondContact SG-CG 3.4Å; L321-M330 HydrophobicContact CD2-CB 4.21Å; L321-M330 HydrophobicContact CD2-CG 4.19Å; M330-L332 HydrophobicContact CE-CB 4.06Å; M330-N361 HydrophobicContact CE-CB 4.24Å; M330-N361 VanDerWaalsContact CE-OD1 3.23Å; M330-N361 WeakPolarHBondContact CE-OD1 3.04Å; M330-R362 WeakPolarHBondContact O-CA 3.17Å; M330-Q363 HydrophobicContact CB-CB 4.35Å; M330-Q363 HydrophobicContact CE-CG 4.18Å; M330-Q363 PolarHBondContact N-O 2.84Å; M330-Q363 PolarHBondContact O-N 2.67Å; M330-Q363 VanDerWaalsContact O-N 3.08Å; M330-L365 HydrophobicContact CB-CD1 4.07Å; M330-L365 HydrophobicContact CB-CD2 4.4Å; M330-L365 HydrophobicContact CB-CG 4.17Å; M330-I394 HydrophobicContact CG-CD1 3.81Å; M330-I394 HydrophobicContact SD-CD1 3.91Å; M330-F409 HydrophobicContact CE-CE2 4.44Å; M330-F409 HydrophobicContact SD-CD2 4.39Å; M330-M432 HydrophobicContact SD-CE 4.41Å |
| 331 | M | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.1 | 158.1 | -67.7 | -175 | -74.6 | 0 | 0 | 111.7 | P290 C319 A320 Y322 Q329 V359 N361 R362 | P290-M331 WeakPolarHBondContact CD-SD 3.48Å; P290-M331 HydrophobicContact CG-SD 3.95Å; C319-M331 WeakPolarHBondContact CA-O 3.5Å; A320-M331 PolarHBondContact N-O 3.4Å; A320-M331 PolarHBondContact O-N 2.7Å; Y322-M331 HydrophobicContact CD1-CE 4Å; Y322-M331 HydrophobicContact CD2-CB 4.41Å; Y322-M331 HydrophobicContact CD2-CE 3.43Å; Y322-M331 VanDerWaalsContact CD2-CE 3.43Å; Y322-M331 HydrophobicContact CD2-CG 4.47Å; Y322-M331 HydrophobicContact CE1-CE 3.86Å; Y322-M331 HydrophobicContact CE2-CB 3.96Å; Y322-M331 HydrophobicContact CE2-CE 3.27Å; Y322-M331 HydrophobicContact CE2-CG 4.38Å; Y322-M331 HydrophobicContact CG-CE 3.79Å; Q329-M331 PolarHBondContact NE2-SD 2.84Å; M331-V359 HydrophobicContact CB-CG1 4.43Å; M331-V359 HydrophobicContact SD-CG1 4.42Å; M331-N361 WeakPolarHBondContact CA-O 3.28Å; M331-R362 HydrophobicContact CG-CB 4.1Å; M331-R362 HydrophobicContact CG-CG 3.91Å; M331-R362 HydrophobicContact SD-CG 4.3Å |
| 332 | L | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.2 | 174.1 | -172.2 | 68.2 | 0 | 0 | 0 | 108.7 | I306 Y317 C319 M330 R360 N361 I392 F409 I411 W414 | I306-L332 HydrophobicContact CG2-CD1 4.24Å; Y317-L332 HydrophobicContact CD1-CD1 4.39Å; Y317-L332 HydrophobicContact CD1-CD2 4.01Å; Y317-L332 HydrophobicContact CD1-CG 3.9Å; Y317-L332 HydrophobicContact CG-CD1 4.49Å; Y317-L332 HydrophobicContact CG-CG 4.48Å; C319-L332 HydrophobicContact CB-CD1 4.04Å; M330-L332 HydrophobicContact CE-CB 4.06Å; L332-R360 PolarHBondContact O-N 2.95Å; L332-N361 HydrophobicContact CB-CB 4.03Å; L332-N361 HydrophobicContact CD2-CB 4.37Å; L332-N361 PolarHBondContact N-O 2.81Å; L332-N361 PolarHBondContact O-N 2.82Å; L332-I392 HydrophobicContact CD1-CD1 3.75Å; L332-F409 HydrophobicContact CD2-CE1 4.17Å; L332-F409 HydrophobicContact CD2-CZ 3.95Å; L332-I411 HydrophobicContact CD2-CD1 3.94Å; L332-W414 HydrophobicContact CD2-CE3 4.32Å; L332-W414 HydrophobicContact CD2-CH2 4.36Å; L332-W414 HydrophobicContact CD2-CZ3 4.23Å |
| 333 | H | 95.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 123.8 | 179.2 | -60.7 | -93.5 | 0 | 0 | 0 | 110.1 | L287 Y317 I318 Y322 T358 | L287-H333 HydrophobicContact CD1-CB 3.86Å; L287-H333 HydrophobicContact CD2-CB 4.38Å; Y317-H333 CarbonylContact C-O 3.54Å; Y317-H333 WeakPolarHBondContact CA-O 3.49Å; I318-H333 PolarHBondContact N-O 2.99Å; I318-H333 PolarHBondContact O-N 2.68Å; Y322-H333 AromaticContact CE2-NE2 3.91Å; Y322-H333 AromaticContact CZ-NE2 3.79Å; Y322-H333 PolarHBondContact OH-NE2 2.73Å; H333-T358 CarbonylContact C-O 3.54Å; H333-T358 WeakPolarHBondContact CA-O 3.36Å |
| 334 | S | 94.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 134.3 | 170.5 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | R357 T358 | S334-R357 CarbonylContact O-C 3.48Å; S334-R357 WeakPolarHBondContact O-CA 3.33Å; S334-T358 PolarHBondContact N-O 2.7Å; S334-T358 PolarHBondContact O-N 2.79Å |
| 335 | V | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.1 | 179.7 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | I275 L287 C315 F316 Y337 Y354 | I275-V335 HydrophobicContact CD1-CG1 4.01Å; I275-V335 HydrophobicContact CD1-CG2 3.77Å; L287-V335 HydrophobicContact CD2-CG2 4.31Å; C315-V335 WeakPolarHBondContact CA-O 3.18Å; C315-V335 VanDerWaalsContact CB-O 3.28Å; C315-V335 WeakPolarHBondContact CB-O 3.37Å; F316-V335 HydrophobicContact CD2-CB 4.24Å; F316-V335 HydrophobicContact CD2-CG2 4.34Å; F316-V335 HydrophobicContact CE1-CB 4.31Å; F316-V335 HydrophobicContact CE1-CG1 4.33Å; F316-V335 HydrophobicContact CE2-CB 3.88Å; F316-V335 HydrophobicContact CE2-CG1 4.39Å; F316-V335 HydrophobicContact CE2-CG2 3.85Å; F316-V335 HydrophobicContact CZ-CB 3.93Å; F316-V335 HydrophobicContact CZ-CG1 3.98Å; F316-V335 HydrophobicContact CZ-CG2 4.27Å; F316-V335 PolarHBondContact N-O 2.82Å; F316-V335 VanDerWaalsContact N-O 3.12Å; F316-V335 PolarHBondContact O-N 3.02Å; V335-Y337 HydrophobicContact CG1-CE2 3.85Å; V335-Y354 HydrophobicContact CG1-CD2 4.17Å; V335-Y354 HydrophobicContact CG1-CE2 4.1Å |
| 336 | C | 94.2 | Very high | 88.7 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 10% | 0.095 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.5 | -173.8 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | C315 R355 S356 | C315-C336 HydrophobicContact CB-CB 4.3Å; C336-R355 WeakPolarHBondContact O-CB 3.3Å; C336-R355 PolarHBondContact O-N 2.95Å; C336-S356 PolarHBondContact N-O 3.29Å; C336-S356 PolarHBondContact O-N 3.49Å; C336-S356 VanDerWaalsContact O-N 3.15Å |
| 337 | Y | 93.5 | Very high | 88.3 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 175.9 | 174.9 | -74.6 | -101.6 | 0 | 0 | 0 | 110.7 | A261 P314 F316 V335 F351 D353 | A261-Y337 HydrophobicContact CB-CE1 4.46Å; A261-Y337 WeakPolarHBondContact CB-OH 2.97Å; P314-Y337 PolarHBondContact O-N 3.16Å; F316-Y337 HydrophobicContact CD1-CE2 4.31Å; F316-Y337 HydrophobicContact CE1-CD2 4.42Å; F316-Y337 AromaticContact CE1-CE2 3.59Å; F316-Y337 HydrophobicContact CE1-CE2 3.59Å; F316-Y337 HydrophobicContact CZ-CE2 4.34Å; V335-Y337 HydrophobicContact CG1-CE2 3.85Å; Y337-F351 HydrophobicContact CD1-CB 3.76Å; Y337-F351 HydrophobicContact CD2-CB 3.84Å; Y337-F351 HydrophobicContact CD2-CD2 4.26Å; Y337-F351 HydrophobicContact CD2-CG 4.17Å; Y337-F351 HydrophobicContact CE1-CB 4.26Å; Y337-F351 HydrophobicContact CE2-CB 4.35Å; Y337-F351 HydrophobicContact CG-CB 3.54Å; Y337-F351 HydrophobicContact CG-CG 4.24Å; Y337-D353 CarbonylContact C-O 3.46Å; Y337-D353 WeakPolarHBondContact CA-O 3.11Å |
| 338 | R | 90.8 | Very high | 87.7 | Confident | 196 Ų | 196 | 53.1 Ų | 53.1 | 74% | 0.74 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85 | -35.8 | 176.4 | -167.8 | -179.4 | -177.2 | 166.1 | 2.5 | 112.1 | K352 D353 | R338-K352 PolarHBondContact N-O 2.83Å; R338-D353 HydrophobicContact CB-CB 3.86Å; R338-D353 PolarHBondContact N-O 3.4Å |
| 339 | G | 88.8 | Confident | 87.2 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 26% | 0.258 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 160.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F351 K352 | G339-F351 WeakPolarHBondContact O-CA 3.5Å; G339-K352 PolarHBondContact N-O 3.16Å; G339-K352 PolarHBondContact O-N 2.89Å |
| 340 | S | 89.1 | Confident | 86.9 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 160.5 | 166.5 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | R350 | S340-R350 CarbonylContact C-O 3.59Å; S340-R350 VanDerWaalsContact CA-O 3.24Å; S340-R350 WeakPolarHBondContact CA-O 3.44Å |
| 341 | Y | 88.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 29% | 0.29 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 146.8 | 167.5 | 69.5 | -71.4 | 0 | 0 | 0 | 109.1 | R350 K352 | Y341-R350 HydrophobicContact CD1-CB 4.21Å; Y341-R350 WeakPolarHBondContact CD1-O 3.37Å; Y341-R350 HydrophobicContact CE1-CB 3.57Å; Y341-R350 PolarHBondContact N-O 3.22Å; Y341-R350 PolarHBondContact O-N 2.92Å; Y341-R350 PolarHBondContact OH-NH1 3.05Å; Y341-K352 HydrophobicContact CD1-CD 3.65Å; Y341-K352 HydrophobicContact CD1-CG 4.05Å; Y341-K352 HydrophobicContact CE1-CD 3.65Å; Y341-K352 HydrophobicContact CE1-CG 3.8Å; Y341-K352 VanDerWaalsContact CE1-NZ 3.33Å |
| 342 | R | 84 | Confident | 86.3 | Confident | 100 Ų | 100 | 63 Ų | 63 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.6 | 169.3 | -159.5 | -179.7 | -155.1 | 147.2 | 11.8 | 109 | H347 Q1343 | R342-H347 VanDerWaalsContact CG-O 3.3Å; R342-H347 WeakPolarHBondContact CG-O 3.31Å; R342-H347 PolarHBondContact NE-O 2.98Å; R342-Q1343 PolarHBondContact NH1-O 3.48Å; R342-Q1343 PolarHBondContact NH2-O 3.02Å |
| 343 | D | 80.7 | Confident | 85.9 | Confident | 26 Ų | 26 | 68.1 Ų | 68.1 | 14% | 0.139 | 32% | 0.318 | C | S | . | . | trans | -73.4 | 145.1 | 170.5 | -170.8 | 83.7 | 0 | 0 | 0 | 111.4 | E345 T346 H347 T348 R350 | D343-E345 WeakPolarHBondContact OD2-CA 3.24Å; D343-E345 PolarHBondContact OD2-N 2.92Å; D343-T346 PolarHBondContact OD2-N 2.9Å; D343-T346 PolarHBondContact OD2-OG1 3.22Å; D343-H347 VanDerWaalsContact O-CA 3.25Å; D343-H347 WeakPolarHBondContact O-CA 3.32Å; D343-H347 PolarHBondContact O-N 2.65Å; D343-T348 PolarHBondContact N-O 2.85Å; D343-R350 VanDerWaalsContact CB-NH2 3.29Å; D343-R350 VanDerWaalsContact CG-NH1 3.33Å; D343-R350 IonicContact OD1-CZ 3.27Å; D343-R350 IonicContact OD1-NH1 2.92Å; D343-R350 PolarHBondContact OD1-NH1 2.91Å; D343-R350 IonicContact OD1-NH2 2.72Å; D343-R350 PolarHBondContact OD1-NH2 3.42Å; D343-R350 IonicContact OD2-NH2 3.73Å; D343-R350 PolarHBondContact OD2-NH2 3.17Å | ||
| 344 | R | 77.4 | Confident | 85.8 | Confident | 233 Ų | 233 | 71.3 Ų | 71.3 | 88% | 0.879 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -23.7 | -177.7 | -72.4 | -173.5 | 176.3 | -176.4 | -1.2 | 114.2 | ||
| 345 | E | 74.3 | Confident | 85.6 | Confident | 176 Ų | 176 | 80 Ų | 80 | 82% | 0.822 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -41.8 | -179.8 | -62.3 | -178.3 | -178.4 | 0 | 0 | 111 | D343 | D343-E345 WeakPolarHBondContact OD2-CA 3.24Å; D343-E345 PolarHBondContact OD2-N 2.92Å |
| 346 | T | 71.8 | Confident | 85.5 | Confident | 38 Ų | 38 | 82.1 Ų | 82.1 | 23% | 0.233 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -4.8 | -177.3 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | D343 T348 R350 F1347 | D343-T346 PolarHBondContact OD2-N 2.9Å; D343-T346 PolarHBondContact OD2-OG1 3.22Å; T346-T348 PolarHBondContact O-N 2.92Å; T346-T348 PolarHBondContact OG1-OG1 2.94Å; T346-R350 PolarHBondContact OG1-NH2 3Å; T346-F1347 WeakPolarHBondContact O-CE2 3.08Å; T346-F1347 WeakPolarHBondContact O-CZ 3.16Å |
| 347 | H | 75.7 | Confident | 85.4 | Confident | 99 Ų | 99 | 85.3 Ų | 85.3 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | trans | 51.1 | 1.1 | -173.5 | -65.6 | -64.5 | 0 | 0 | 0 | 116.6 | R342 D343 F1347 | R342-H347 VanDerWaalsContact CG-O 3.3Å; R342-H347 WeakPolarHBondContact CG-O 3.31Å; R342-H347 PolarHBondContact NE-O 2.98Å; D343-H347 VanDerWaalsContact O-CA 3.25Å; D343-H347 WeakPolarHBondContact O-CA 3.32Å; D343-H347 PolarHBondContact O-N 2.65Å; H347-F1347 HydrophobicContact CB-CZ 4.2Å | ||
| 348 | T | 77.9 | Confident | 85.4 | Confident | 43 Ų | 43 | 87.4 Ų | 87.4 | 26% | 0.264 | 40% | 0.402 | S | S | . | . | trans | -76.2 | 148.6 | 178.2 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | D343 T346 F1347 | D343-T348 PolarHBondContact N-O 2.85Å; T346-T348 PolarHBondContact O-N 2.92Å; T346-T348 PolarHBondContact OG1-OG1 2.94Å; T348-F1347 HydrophobicContact CG2-CE2 4.39Å | ||
| 349 | I | 83.3 | Confident | 85.5 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 136.5 | 166 | -56.9 | 175.1 | 0 | 0 | 0 | 108.3 | F351 | I349-F351 HydrophobicContact CG2-CE1 4.07Å |
| 350 | R | 85.4 | Confident | 85.7 | Confident | 10 Ų | 10 | 83.1 Ų | 83.1 | 4% | 0.038 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.7 | 166.9 | -63.1 | -162.3 | -152.6 | 114 | 8.8 | 111.2 | L163 M260 S340 Y341 D343 T346 | L163-R350 VanDerWaalsContact CD2-NH2 3.26Å; M260-R350 CarbonylContact O-C 3.33Å; M260-R350 WeakPolarHBondContact O-CA 3.36Å; M260-R350 WeakPolarHBondContact O-CB 3.39Å; S340-R350 CarbonylContact C-O 3.59Å; S340-R350 VanDerWaalsContact CA-O 3.24Å; S340-R350 WeakPolarHBondContact CA-O 3.44Å; Y341-R350 HydrophobicContact CD1-CB 4.21Å; Y341-R350 WeakPolarHBondContact CD1-O 3.37Å; Y341-R350 HydrophobicContact CE1-CB 3.57Å; Y341-R350 PolarHBondContact N-O 3.22Å; Y341-R350 PolarHBondContact O-N 2.92Å; Y341-R350 PolarHBondContact OH-NH1 3.05Å; D343-R350 VanDerWaalsContact CB-NH2 3.29Å; D343-R350 VanDerWaalsContact CG-NH1 3.33Å; D343-R350 IonicContact OD1-CZ 3.27Å; D343-R350 IonicContact OD1-NH1 2.92Å; D343-R350 PolarHBondContact OD1-NH1 2.91Å; D343-R350 IonicContact OD1-NH2 2.72Å; D343-R350 PolarHBondContact OD1-NH2 3.42Å; D343-R350 IonicContact OD2-NH2 3.73Å; D343-R350 PolarHBondContact OD2-NH2 3.17Å; T346-R350 PolarHBondContact OG1-NH2 3Å |
| 351 | F | 89.8 | Confident | 85.9 | Confident | 20 Ų | 20 | 79.7 Ų | 79.7 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 154.6 | -179.6 | -60 | -50.2 | 0 | 0 | 0 | 112.4 | M260 M307 P314 F316 Y337 G339 I349 | M260-F351 HydrophobicContact CB-CD2 4.02Å; M260-F351 HydrophobicContact CB-CE2 4.06Å; M260-F351 HydrophobicContact CG-CD2 3.94Å; M260-F351 HydrophobicContact CG-CE2 3.92Å; M260-F351 PolarHBondContact O-N 2.92Å; M260-F351 HydrophobicContact SD-CD2 4.27Å; M260-F351 HydrophobicContact SD-CE2 3.66Å; M307-F351 HydrophobicContact SD-CZ 4.33Å; P314-F351 HydrophobicContact CB-CD1 3.5Å; P314-F351 VanDerWaalsContact CB-CD1 3.5Å; P314-F351 HydrophobicContact CB-CE1 3.53Å; F316-F351 HydrophobicContact CB-CE2 4.45Å; F316-F351 AromaticContact CD1-CD2 3.86Å; F316-F351 HydrophobicContact CD1-CD2 3.86Å; F316-F351 AromaticContact CD1-CE2 3.79Å; F316-F351 HydrophobicContact CD1-CE2 3.79Å; F316-F351 HydrophobicContact CE1-CD2 4.31Å; Y337-F351 HydrophobicContact CD1-CB 3.76Å; Y337-F351 HydrophobicContact CD2-CB 3.84Å; Y337-F351 HydrophobicContact CD2-CD2 4.26Å; Y337-F351 HydrophobicContact CD2-CG 4.17Å; Y337-F351 HydrophobicContact CE1-CB 4.26Å; Y337-F351 HydrophobicContact CE2-CB 4.35Å; Y337-F351 HydrophobicContact CG-CB 3.54Å; Y337-F351 HydrophobicContact CG-CG 4.24Å; G339-F351 WeakPolarHBondContact O-CA 3.5Å; I349-F351 HydrophobicContact CG2-CE1 4.07Å |
| 352 | K | 86.3 | Confident | 86.1 | Confident | 101 Ų | 101 | 80 Ų | 80 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 145.9 | 178.1 | -88.3 | 171.2 | 177.4 | 150.6 | 0 | 110.9 | R338 G339 Y341 | R338-K352 PolarHBondContact N-O 2.83Å; G339-K352 PolarHBondContact N-O 3.16Å; G339-K352 PolarHBondContact O-N 2.89Å; Y341-K352 HydrophobicContact CD1-CD 3.65Å; Y341-K352 HydrophobicContact CD1-CG 4.05Å; Y341-K352 HydrophobicContact CE1-CD 3.65Å; Y341-K352 HydrophobicContact CE1-CG 3.8Å; Y341-K352 VanDerWaalsContact CE1-NZ 3.33Å |
| 353 | D | 88.9 | Confident | 86.4 | Confident | 106 Ų | 106 | 76.1 Ų | 76.1 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.6 | 94.4 | -179.4 | -35.9 | -32.6 | 0 | 0 | 0 | 112.4 | Y337 R338 R355 | Y337-D353 CarbonylContact C-O 3.46Å; Y337-D353 WeakPolarHBondContact CA-O 3.11Å; R338-D353 HydrophobicContact CB-CB 3.86Å; R338-D353 PolarHBondContact N-O 3.4Å; D353-R355 PolarHBondContact O-N 3.21Å |
| 354 | Y | 91.7 | Very high | 86.9 | Confident | 71 Ų | 71 | 80 Ų | 80 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 136.3 | 174.6 | 164.3 | -105.9 | 0 | 0 | 0 | 110.6 | T284 T285 V335 S356 R357 | T284-Y354 HydrophobicContact CG2-CD1 4.38Å; T284-Y354 HydrophobicContact CG2-CG 3.96Å; T285-Y354 HydrophobicContact CG2-CE1 4.4Å; T285-Y354 HydrophobicContact CG2-CE2 3.9Å; T285-Y354 PolarHBondContact OG1-OH 3.12Å; T285-Y354 VanDerWaalsContact OG1-OH 3.11Å; V335-Y354 HydrophobicContact CG1-CD2 4.17Å; V335-Y354 HydrophobicContact CG1-CE2 4.1Å; Y354-S356 VanDerWaalsContact CE2-C 3.44Å; Y354-S356 WeakPolarHBondContact CE2-O 3.35Å; Y354-R357 WeakPolarHBondContact OH-CB 3.49Å; Y354-R357 WeakPolarHBondContact OH-CG 3.34Å; Y354-R357 PolarHBondContact OH-N 3Å |
| 355 | R | 91.8 | Very high | 87.6 | Confident | 181 Ų | 181 | 69.5 Ų | 69.5 | 68% | 0.683 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -49.3 | -172.8 | -177.9 | -179.2 | 179.4 | 177.1 | 1.6 | 113 | C336 D353 | C336-R355 WeakPolarHBondContact O-CB 3.3Å; C336-R355 PolarHBondContact O-N 2.95Å; D353-R355 PolarHBondContact O-N 3.21Å |
| 356 | S | 92.9 | Very high | 88.4 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 32% | 0.315 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | 158.7 | -175 | 58 | 0 | 0 | 0 | 0 | 113.5 | C336 Y354 | C336-S356 PolarHBondContact N-O 3.29Å; C336-S356 PolarHBondContact O-N 3.49Å; C336-S356 VanDerWaalsContact O-N 3.15Å; Y354-S356 VanDerWaalsContact CE2-C 3.44Å; Y354-S356 WeakPolarHBondContact CE2-O 3.35Å |
| 357 | R | 92 | Very high | 89.2 | Confident | 82 Ų | 82 | 62.3 Ų | 62.3 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 146.5 | 173.4 | 61.4 | -177.5 | 172.2 | 150.5 | -12.7 | 110.2 | D286 L287 N288 S334 Y354 | D286-R357 VanDerWaalsContact CG-CZ 3.45Å; D286-R357 WeakPolarHBondContact O-CD 3.25Å; D286-R357 PolarHBondContact O-NE 2.63Å; D286-R357 PolarHBondContact O-NH1 3.17Å; D286-R357 IonicContact OD1-CZ 3.64Å; D286-R357 IonicContact OD1-NH1 3.98Å; D286-R357 PolarHBondContact OD1-NH1 3.18Å; D286-R357 IonicContact OD1-NH2 2.69Å; D286-R357 PolarHBondContact OD1-NH2 3.43Å; D286-R357 IonicContact OD2-CZ 3.86Å; D286-R357 VanDerWaalsContact OD2-CZ 3.27Å; D286-R357 IonicContact OD2-NH1 3.42Å; D286-R357 PolarHBondContact OD2-NH1 3.33Å; D286-R357 IonicContact OD2-NH2 3.15Å; D286-R357 PolarHBondContact OD2-NH2 2.91Å; L287-R357 HydrophobicContact CD2-CB 3.8Å; L287-R357 HydrophobicContact CD2-CG 4.49Å; N288-R357 PolarHBondContact ND2-NH1 3.18Å; S334-R357 CarbonylContact O-C 3.48Å; S334-R357 WeakPolarHBondContact O-CA 3.33Å; Y354-R357 WeakPolarHBondContact OH-CB 3.49Å; Y354-R357 WeakPolarHBondContact OH-CG 3.34Å; Y354-R357 PolarHBondContact OH-N 3Å |
| 358 | T | 92.1 | Very high | 89.6 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 36% | 0.362 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 136.8 | 172.8 | 48.6 | 0 | 0 | 0 | 0 | 111.1 | H333 S334 R360 | H333-T358 CarbonylContact C-O 3.54Å; H333-T358 WeakPolarHBondContact CA-O 3.36Å; S334-T358 PolarHBondContact N-O 2.7Å; S334-T358 PolarHBondContact O-N 2.79Å; T358-R360 WeakPolarHBondContact OG1-CD 3.37Å; T358-R360 PolarHBondContact OG1-NE 2.8Å |
| 359 | V | 92.6 | Very high | 89.9 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 132.7 | 160 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | M331 | M331-V359 HydrophobicContact CB-CG1 4.43Å; M331-V359 HydrophobicContact SD-CG1 4.42Å |
| 360 | R | 93.2 | Very high | 90.2 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -33.5 | -175.9 | -68.9 | -54.3 | -154.6 | 109.1 | 22.9 | 114.8 | Y317 L332 T358 W414 T421 | Y317-R360 HydrophobicContact CE1-CB 4.32Å; Y317-R360 HydrophobicContact CE1-CG 4.09Å; L332-R360 PolarHBondContact O-N 2.95Å; T358-R360 WeakPolarHBondContact OG1-CD 3.37Å; T358-R360 PolarHBondContact OG1-NE 2.8Å; R360-W414 HydrophobicContact CB-CH2 3.71Å; R360-W414 HydrophobicContact CB-CZ2 3.89Å; R360-W414 HydrophobicContact CG-CH2 4.4Å; R360-T421 WeakPolarHBondContact O-CA 3.14Å |
| 361 | N | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.1 | 170.8 | -172.4 | -83.6 | 0 | 0 | 0 | 110 | M330 M331 L332 Q363 F409 W414 P420 T421 Y431 | M330-N361 HydrophobicContact CE-CB 4.24Å; M330-N361 VanDerWaalsContact CE-OD1 3.23Å; M330-N361 WeakPolarHBondContact CE-OD1 3.04Å; M331-N361 WeakPolarHBondContact CA-O 3.28Å; L332-N361 HydrophobicContact CB-CB 4.03Å; L332-N361 HydrophobicContact CD2-CB 4.37Å; L332-N361 PolarHBondContact N-O 2.81Å; L332-N361 PolarHBondContact O-N 2.82Å; N361-Q363 PolarHBondContact ND2-NE2 2.99Å; N361-Q363 WeakPolarHBondContact OD1-CG 3.24Å; N361-Q363 PolarHBondContact OD1-NE2 3.33Å; N361-F409 HydrophobicContact CB-CE2 4.43Å; N361-F409 HydrophobicContact CB-CZ 4.49Å; N361-W414 HydrophobicContact CB-CZ2 4.29Å; N361-W414 PolarHBondContact ND2-NE1 2.74Å; N361-P420 PolarHBondContact ND2-O 3.23Å; N361-T421 CarbonylContact C-O 3.53Å; N361-T421 WeakPolarHBondContact CA-O 3.35Å; N361-Y431 PolarHBondContact ND2-OH 3.12Å |
| 362 | R | 92.1 | Very high | 90.7 | Very high | 82 Ų | 82 | 61 Ų | 61 | 31% | 0.309 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 124.8 | 179.8 | 174.5 | 175.1 | -179.3 | -114.6 | -8.3 | 110.1 | Q329 M330 M331 T421 S422 | Q329-R362 VanDerWaalsContact CD-NE 3.32Å; M330-R362 WeakPolarHBondContact O-CA 3.17Å; M331-R362 HydrophobicContact CG-CB 4.1Å; M331-R362 HydrophobicContact CG-CG 3.91Å; M331-R362 HydrophobicContact SD-CG 4.3Å; R362-T421 PolarHBondContact N-O 3.49Å; R362-S422 WeakPolarHBondContact O-CB 3.41Å |
| 363 | Q | 90.6 | Very high | 91.1 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143 | 177.5 | -50.5 | -60.3 | -11.4 | 0 | 0 | 111.2 | Q329 M330 N361 L365 Y431 M432 | Q329-Q363 CarbonylContact C-O 3.6Å; Q329-Q363 WeakPolarHBondContact CA-O 3.31Å; Q329-Q363 WeakPolarHBondContact CG-O 3.34Å; M330-Q363 HydrophobicContact CB-CB 4.35Å; M330-Q363 HydrophobicContact CE-CG 4.18Å; M330-Q363 PolarHBondContact N-O 2.84Å; M330-Q363 PolarHBondContact O-N 2.67Å; M330-Q363 VanDerWaalsContact O-N 3.08Å; N361-Q363 PolarHBondContact ND2-NE2 2.99Å; N361-Q363 WeakPolarHBondContact OD1-CG 3.24Å; N361-Q363 PolarHBondContact OD1-NE2 3.33Å; Q363-L365 HydrophobicContact CB-CD2 4.26Å; Q363-Y431 PolarHBondContact NE2-OH 3.43Å; Q363-M432 HydrophobicContact CG-CE 3.98Å; Q363-M432 HydrophobicContact CG-SD 4.07Å |
| 364 | I | 90.7 | Very high | 91.2 | Very high | 109 Ų | 109 | 52.3 Ų | 52.3 | 56% | 0.559 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 125 | 160.8 | -68.3 | 171.5 | 0 | 0 | 0 | 106.2 | V327 Q329 | V327-I364 HydrophobicContact CG1-CG1 4.27Å; V327-I364 HydrophobicContact CG1-CG2 3.85Å; Q329-I364 HydrophobicContact CG-CG1 4.24Å |
| 365 | L | 92 | Very high | 91.5 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -40.4 | -175 | -65.5 | -179.1 | 0 | 0 | 0 | 112 | M1 L321 L328 M330 Q363 I394 W396 M432 | M1-L365 HydrophobicContact CE-CD2 4.43Å; L321-L365 HydrophobicContact CD2-CD1 4.02Å; L328-L365 HydrophobicContact CD2-CB 4.43Å; L328-L365 HydrophobicContact CD2-CD1 4.41Å; L328-L365 HydrophobicContact CG-CB 4.36Å; L328-L365 HydrophobicContact CG-CD1 4.4Å; L328-L365 PolarHBondContact O-N 3.26Å; M330-L365 HydrophobicContact CB-CD1 4.07Å; M330-L365 HydrophobicContact CB-CD2 4.4Å; M330-L365 HydrophobicContact CB-CG 4.17Å; Q363-L365 HydrophobicContact CB-CD2 4.26Å; L365-I394 HydrophobicContact CD1-CD1 4.46Å; L365-I394 HydrophobicContact CD1-CG2 3.72Å; L365-W396 HydrophobicContact CB-CH2 3.73Å; L365-W396 HydrophobicContact CB-CZ2 3.93Å; L365-W396 HydrophobicContact CB-CZ3 4.31Å; L365-W396 HydrophobicContact CD1-CH2 4.27Å; L365-W396 HydrophobicContact CD1-CZ3 4.04Å; L365-W396 HydrophobicContact CD2-CH2 4.43Å; L365-W396 HydrophobicContact CG-CH2 4.37Å; L365-M432 HydrophobicContact CD2-CE 4.38Å |
| 366 | D | 92.2 | Very high | 91.6 | Very high | 24 Ų | 24 | 43.4 Ų | 43.4 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 163 | -178.3 | -147.6 | -4.3 | 0 | 0 | 0 | 112.7 | L328 W396 S398 K405 | L328-D366 HydrophobicContact CB-CB 4.41Å; L328-D366 PolarHBondContact N-O 3.44Å; L328-D366 PolarHBondContact O-N 3.22Å; D366-W396 HydrophobicContact CB-CZ2 3.89Å; D366-W396 PolarHBondContact OD2-NE1 2.98Å; D366-S398 WeakPolarHBondContact OD2-CB 3.39Å; D366-S398 PolarHBondContact OD2-OG 2.91Å; D366-K405 IonicContact OD1-NZ 2.99Å; D366-K405 PolarHBondContact OD1-NZ 3.04Å; D366-K405 WeakPolarHBondContact OD2-CD 3.08Å; D366-K405 IonicContact OD2-NZ 3.85Å; D366-K405 PolarHBondContact OD2-NZ 2.9Å |
| 367 | G | 87.5 | Confident | 91.7 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | D326 | D326-G367 WeakPolarHBondContact O-CA 3.42Å |
| 368 | G | 84.1 | Confident | 91.9 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 71.6 | -162.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I325 D326 C370 | I325-G368 CarbonylContact O-C 3.53Å; I325-G368 VanDerWaalsContact O-C 3.29Å; D326-G368 PolarHBondContact O-N 3.18Å; G368-C370 PolarHBondContact O-N 2.78Å; G368-C370 VanDerWaalsContact O-N 3.13Å |
| 369 | I | 84.7 | Confident | 91.9 | Very high | 107 Ų | 107 | 39.5 Ų | 39.5 | 55% | 0.549 | 24% | 0.236 | S | C | . | . | trans | -74.1 | 104.9 | -171 | -55.6 | 175.4 | 0 | 0 | 0 | 110.3 | S399 | I369-S399 WeakPolarHBondContact O-CB 3.48Å; I369-S399 PolarHBondContact O-N 2.6Å; I369-S399 VanDerWaalsContact O-N 3.16Å; I369-S399 PolarHBondContact O-OG 2.85Å | ||
| 370 | C | 90.7 | Very high | 92 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 152 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | Q323 L328 G368 H397 | Q323-C370 PolarHBondContact NE2-O 3.34Å; L328-C370 HydrophobicContact CB-CB 4.33Å; L328-C370 HydrophobicContact CD2-CB 4.19Å; G368-C370 PolarHBondContact O-N 2.78Å; G368-C370 VanDerWaalsContact O-N 3.13Å; C370-H397 CarbonylContact C-O 3.56Å; C370-H397 WeakPolarHBondContact CA-O 3.4Å |
| 371 | S | 90.7 | Very high | 91.7 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 43% | 0.434 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.4 | 163.2 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | I373 W396 H397 | S371-I373 PolarHBondContact O-N 3.48Å; S371-W396 CarbonylContact O-C 3.59Å; S371-W396 WeakPolarHBondContact O-CA 3.35Å; S371-W396 VanDerWaalsContact O-CB 3.28Å; S371-W396 WeakPolarHBondContact O-CB 3.43Å; S371-H397 PolarHBondContact N-O 3Å; S371-H397 PolarHBondContact O-N 2.73Å |
| 372 | V | 93.5 | Very high | 91.3 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 114.2 | -175.8 | -179.9 | 0 | 0 | 0 | 0 | 110 | K301 R302 L321 L328 | K301-V372 HydrophobicContact CB-CG2 4.15Å; R302-V372 HydrophobicContact CB-CG1 4.21Å; R302-V372 HydrophobicContact CG-CG1 3.63Å; L321-V372 HydrophobicContact CD1-CG1 3.66Å; L328-V372 HydrophobicContact CD1-CG2 3.82Å |
| 373 | I | 94.9 | Very high | 91.1 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -45.8 | -177.2 | -63.6 | 171 | 0 | 0 | 0 | 109.9 | S371 S395 W396 H397 A445 L446 L477 | S371-I373 PolarHBondContact O-N 3.48Å; I373-S395 WeakPolarHBondContact CB-O 3.07Å; I373-S395 PolarHBondContact N-O 3.01Å; I373-W396 VanDerWaalsContact CD1-C 3.44Å; I373-H397 HydrophobicContact CD1-CB 4.24Å; I373-A445 VanDerWaalsContact CG2-C 3.49Å; I373-A445 VanDerWaalsContact CG2-CA 3.48Å; I373-L446 HydrophobicContact CG2-CB 4.01Å; I373-L477 HydrophobicContact CD1-CD1 4.26Å; I373-L477 HydrophobicContact CG2-CD1 4.18Å |
| 374 | G | 92.2 | Very high | 90.6 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 16% | 0.155 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 151.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S395 | G374-S395 PolarHBondContact N-O 3.03Å; G374-S395 PolarHBondContact N-OG 3.31Å; G374-S395 PolarHBondContact O-N 3.07Å |
| 375 | C | 96.4 | Very high | 90.2 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 108.9 | 164 | -165.4 | 0 | 0 | 0 | 0 | 106 | R302 L321 V393 | R302-C375 HydrophobicContact CB-CB 3.61Å; R302-C375 HydrophobicContact CG-CB 4.48Å; L321-C375 HydrophobicContact CD1-CB 3.75Å; L321-C375 HydrophobicContact CG-CB 4.22Å; C375-V393 CarbonylContact C-O 3.53Å; C375-V393 WeakPolarHBondContact CA-O 3.42Å |
| 376 | A | 95.2 | Very high | 89.4 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 176.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V393 | A376-V393 HydrophobicContact CB-CB 4.45Å; A376-V393 PolarHBondContact N-O 3.4Å; A376-V393 PolarHBondContact O-N 2.69Å |
| 377 | T | 95.5 | Very high | 88.7 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.2 | 172.4 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | C304 L305 I306 L391 | C304-T377 HydrophobicContact CB-CG2 4.37Å; L305-T377 WeakPolarHBondContact O-CG2 3.19Å; I306-T377 HydrophobicContact CB-CG2 3.9Å; I306-T377 HydrophobicContact CD1-CG2 4.46Å; I306-T377 HydrophobicContact CG1-CG2 4.32Å; T377-L391 CarbonylContact C-O 3.48Å; T377-L391 VanDerWaalsContact CA-O 3.22Å; T377-L391 WeakPolarHBondContact CA-O 3.32Å |
| 378 | A | 94.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 146.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L391 V393 L448 S450 I453 | A378-L391 HydrophobicContact CB-CB 4.45Å; A378-L391 PolarHBondContact N-O 3.11Å; A378-L391 PolarHBondContact O-N 2.93Å; A378-V393 HydrophobicContact CB-CG2 3.82Å; A378-L448 HydrophobicContact CB-CD2 3.96Å; A378-S450 WeakPolarHBondContact CB-OG 3.41Å; A378-I453 HydrophobicContact CB-CD1 3.76Å |
| 379 | S | 93.3 | Very high | 88.9 | Confident | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 141.6 | -178.2 | -169.2 | 0 | 0 | 0 | 0 | 113.8 | F381 T389 S450 | S379-F381 WeakPolarHBondContact OG-CD2 3.42Å; S379-T389 VanDerWaalsContact CA-O 3.26Å; S379-T389 WeakPolarHBondContact CA-O 3.49Å; S379-T389 PolarHBondContact OG-O 2.95Å; S379-T389 VanDerWaalsContact OG-O 3.13Å; S379-S450 PolarHBondContact N-OG 3.01Å |
| 380 | T | 93.4 | Very high | 89.4 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -105.6 | 0.3 | 178.6 | 64.7 | 0 | 0 | 0 | 0 | 114 | S382 F383 A384 T389 I453 | T380-S382 PolarHBondContact O-N 2.81Å; T380-F383 HydrophobicContact CG2-CE1 3.72Å; T380-F383 HydrophobicContact CG2-CZ 3.57Å; T380-F383 PolarHBondContact O-N 3.32Å; T380-A384 WeakPolarHBondContact O-CB 2.9Å; T380-A384 PolarHBondContact O-N 3.46Å; T380-T389 PolarHBondContact N-O 2.86Å; T380-T389 PolarHBondContact OG1-N 2.79Å; T380-I453 HydrophobicContact CG2-CB 3.81Å; T380-I453 HydrophobicContact CG2-CG2 4.07Å | ||
| 381 | F | 88.3 | Confident | 89.7 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 25% | 0.254 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -20.2 | 178.4 | -75.9 | -63 | 0 | 0 | 0 | 114.3 | P309 S379 G385 G388 L390 | P309-F381 HydrophobicContact CG-CE1 4.03Å; P309-F381 HydrophobicContact CG-CE2 3.82Å; P309-F381 HydrophobicContact CG-CZ 3.52Å; S379-F381 WeakPolarHBondContact OG-CD2 3.42Å; F381-G385 VanDerWaalsContact CD1-O 3.27Å; F381-G385 WeakPolarHBondContact CD1-O 3.22Å; F381-G388 VanDerWaalsContact CD1-CA 3.45Å; F381-G388 WeakPolarHBondContact CE1-O 3.39Å; F381-G388 VanDerWaalsContact CZ-O 3.29Å; F381-G388 WeakPolarHBondContact CZ-O 3.35Å; F381-L390 HydrophobicContact CE2-CB 3.92Å; F381-L390 HydrophobicContact CE2-CD2 4.29Å |
| 382 | S | 85.7 | Confident | 90 | Very high | 106 Ų | 106 | 35.4 Ų | 35.4 | 74% | 0.741 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21 | 177.5 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | T380 | T380-S382 PolarHBondContact O-N 2.81Š|
| 383 | F | 86.6 | Confident | 90.2 | Very high | 74 Ų | 74 | 34.7 Ų | 34.7 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -28.1 | -179.4 | 68.2 | -88.7 | 0 | 0 | 0 | 113.8 | T380 G385 S450 L454 | T380-F383 HydrophobicContact CG2-CE1 3.72Å; T380-F383 HydrophobicContact CG2-CZ 3.57Å; T380-F383 PolarHBondContact O-N 3.32Å; F383-G385 VanDerWaalsContact C-N 3.32Å; F383-S450 WeakPolarHBondContact CE1-O 3.42Å; F383-L454 HydrophobicContact CE2-CD2 4.47Å |
| 384 | A | 81.1 | Confident | 90.3 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -86 | -0.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T380 N387 | T380-A384 WeakPolarHBondContact O-CB 2.9Å; T380-A384 PolarHBondContact O-N 3.46Å; A384-N387 WeakPolarHBondContact O-CB 3.38Å; A384-N387 PolarHBondContact O-N 3.48Å |
| 385 | G | 82.8 | Confident | 90.5 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | 54 | -140.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111.9 | F381 F383 N387 G388 | F381-G385 VanDerWaalsContact CD1-O 3.27Å; F381-G385 WeakPolarHBondContact CD1-O 3.22Å; F383-G385 VanDerWaalsContact C-N 3.32Å; G385-N387 PolarHBondContact O-N 2.98Å; G385-N387 VanDerWaalsContact O-N 3.1Å; G385-G388 WeakPolarHBondContact O-CA 3.48Å; G385-G388 PolarHBondContact O-N 2.9Å |
| 386 | D | 75.1 | Confident | 90.5 | Very high | 164 Ų | 164 | 32.8 Ų | 32.8 | 88% | 0.877 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -63.3 | -14.6 | -179 | -56.2 | -21 | 0 | 0 | 0 | 114 | G388 | D386-G388 PolarHBondContact O-N 2.95Š|
| 387 | N | 76.1 | Confident | 90.4 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 31% | 0.31 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -78.1 | 5.2 | 169.4 | -63 | -36 | 0 | 0 | 0 | 112.7 | A384 G385 G1364 | A384-N387 WeakPolarHBondContact O-CB 3.38Å; A384-N387 PolarHBondContact O-N 3.48Å; G385-N387 PolarHBondContact O-N 2.98Å; G385-N387 VanDerWaalsContact O-N 3.1Å; N387-G1364 WeakPolarHBondContact ND2-CA 3.41Å; N387-G1364 PolarHBondContact ND2-O 2.88Å |
| 388 | G | 85.6 | Confident | 90.3 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | trans | -62.4 | 148.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F381 G385 D386 N412 | F381-G388 VanDerWaalsContact CD1-CA 3.45Å; F381-G388 WeakPolarHBondContact CE1-O 3.39Å; F381-G388 VanDerWaalsContact CZ-O 3.29Å; F381-G388 WeakPolarHBondContact CZ-O 3.35Å; G385-G388 WeakPolarHBondContact O-CA 3.48Å; G385-G388 PolarHBondContact O-N 2.9Å; D386-G388 PolarHBondContact O-N 2.95Å; G388-N412 PolarHBondContact O-ND2 2.8Å | ||
| 389 | T | 91 | Very high | 89.9 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | trans | -107.2 | 150.2 | -179.4 | -50.7 | 0 | 0 | 0 | 0 | 109.3 | S379 T380 L391 H455 | S379-T389 VanDerWaalsContact CA-O 3.26Å; S379-T389 WeakPolarHBondContact CA-O 3.49Å; S379-T389 PolarHBondContact OG-O 2.95Å; S379-T389 VanDerWaalsContact OG-O 3.13Å; T380-T389 PolarHBondContact N-O 2.86Å; T380-T389 PolarHBondContact OG1-N 2.79Å; T389-L391 HydrophobicContact CG2-CD2 3.67Å; T389-L391 HydrophobicContact CG2-CG 4.1Å; T389-H455 PolarHBondContact OG1-CD2 2.9Å; T389-H455 PolarHBondContact OG1-NE2 2.86Å | ||
| 390 | L | 94.5 | Very high | 89.5 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 99.5 | -175.7 | -174 | 61.4 | 0 | 0 | 0 | 110.2 | I306 M307 F381 I411 | I306-L390 HydrophobicContact CD1-CD2 4.23Å; I306-L390 HydrophobicContact CD1-CG 3.81Å; I306-L390 HydrophobicContact CG1-CD1 4.32Å; I306-L390 HydrophobicContact CG1-CD2 3.73Å; I306-L390 HydrophobicContact CG1-CG 3.76Å; M307-L390 WeakPolarHBondContact O-CD2 3.39Å; F381-L390 HydrophobicContact CE2-CB 3.92Å; F381-L390 HydrophobicContact CE2-CD2 4.29Å; L390-I411 HydrophobicContact CB-CG2 3.81Å; L390-I411 HydrophobicContact CD2-CG2 4.05Å; L390-I411 HydrophobicContact CG-CG2 4.05Å; L390-I411 VanDerWaalsContact O-CG2 3.31Å; L390-I411 WeakPolarHBondContact O-CG2 3.43Å; L390-I411 PolarHBondContact O-N 2.87Å |
| 391 | L | 96.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 146.3 | -171.4 | -55.2 | -177.6 | 0 | 0 | 0 | 111.7 | T377 A378 T389 L408 F409 D410 I453 L471 | T377-L391 CarbonylContact C-O 3.48Å; T377-L391 VanDerWaalsContact CA-O 3.22Å; T377-L391 WeakPolarHBondContact CA-O 3.32Å; A378-L391 HydrophobicContact CB-CB 4.45Å; A378-L391 PolarHBondContact N-O 3.11Å; A378-L391 PolarHBondContact O-N 2.93Å; T389-L391 HydrophobicContact CG2-CD2 3.67Å; T389-L391 HydrophobicContact CG2-CG 4.1Å; L391-L408 HydrophobicContact CD1-CD1 4.26Å; L391-L408 HydrophobicContact CD1-CD2 4.46Å; L391-F409 CarbonylContact C-O 3.04Å; L391-F409 WeakPolarHBondContact CA-O 3.36Å; L391-D410 HydrophobicContact CD2-CB 3.55Å; L391-I453 HydrophobicContact CD1-CD1 4.09Å; L391-I453 HydrophobicContact CD1-CG2 4.28Å; L391-L471 HydrophobicContact CD1-CD1 3.72Å; L391-L471 HydrophobicContact CD2-CD1 4.21Å |
| 392 | I | 97.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 124.5 | 161.2 | -50.6 | 172.9 | 0 | 0 | 0 | 107.3 | I306 C319 L332 I394 F409 | I306-I392 HydrophobicContact CD1-CD1 4.09Å; I306-I392 HydrophobicContact CD1-CG1 3.48Å; I306-I392 VanDerWaalsContact CD1-CG1 3.48Å; I306-I392 HydrophobicContact CG2-CD1 4.21Å; I306-I392 HydrophobicContact CG2-CG1 4.43Å; C319-I392 HydrophobicContact CB-CD1 4.12Å; C319-I392 HydrophobicContact CB-CG2 3.93Å; L332-I392 HydrophobicContact CD1-CD1 3.75Å; I392-I394 HydrophobicContact CG2-CD1 4.2Å; I392-I394 HydrophobicContact CG2-CG1 4.07Å; I392-F409 HydrophobicContact CB-CB 4.22Å; I392-F409 HydrophobicContact CD1-CD1 3.66Å; I392-F409 HydrophobicContact CD1-CE1 4.02Å; I392-F409 HydrophobicContact CD1-CG 4.31Å; I392-F409 HydrophobicContact CG1-CD1 4.18Å; I392-F409 PolarHBondContact N-O 3.21Å; I392-F409 PolarHBondContact O-N 2.89Å |
| 393 | V | 97.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.4 | -174 | -172 | 0 | 0 | 0 | 0 | 108.4 | C375 A376 A378 L406 L408 L446 L448 | C375-V393 CarbonylContact C-O 3.53Å; C375-V393 WeakPolarHBondContact CA-O 3.42Å; A376-V393 HydrophobicContact CB-CB 4.45Å; A376-V393 PolarHBondContact N-O 3.4Å; A376-V393 PolarHBondContact O-N 2.69Å; A378-V393 HydrophobicContact CB-CG2 3.82Å; V393-L406 HydrophobicContact CG1-CD1 3.76Å; V393-L408 HydrophobicContact CB-CD2 4.43Å; V393-L408 HydrophobicContact CG1-CD2 4.13Å; V393-L408 HydrophobicContact CG2-CD2 4.15Å; V393-L446 HydrophobicContact CG1-CD2 4.08Å; V393-L448 HydrophobicContact CB-CD2 4.49Å; V393-L448 HydrophobicContact CG1-CB 4.23Å; V393-L448 HydrophobicContact CG1-CD2 4.08Å; V393-L448 HydrophobicContact CG2-CD2 3.53Å |
| 394 | I | 97.8 | Very high | 90 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.3 | -176.4 | -62.1 | 164.5 | 0 | 0 | 0 | 108.8 | L321 M330 L365 I392 W396 L406 V407 | L321-I394 HydrophobicContact CD1-CG2 3.84Å; L321-I394 HydrophobicContact CD2-CD1 4.19Å; L321-I394 HydrophobicContact CD2-CG1 4.34Å; L321-I394 HydrophobicContact CD2-CG2 3.91Å; M330-I394 HydrophobicContact CG-CD1 3.81Å; M330-I394 HydrophobicContact SD-CD1 3.91Å; L365-I394 HydrophobicContact CD1-CD1 4.46Å; L365-I394 HydrophobicContact CD1-CG2 3.72Å; I392-I394 HydrophobicContact CG2-CD1 4.2Å; I392-I394 HydrophobicContact CG2-CG1 4.07Å; I394-W396 HydrophobicContact CG2-CE3 3.96Å; I394-W396 HydrophobicContact CG2-CZ3 3.92Å; I394-L406 CarbonylContact O-C 3.53Å; I394-L406 WeakPolarHBondContact O-CA 3.3Å; I394-V407 HydrophobicContact CB-CB 4.46Å; I394-V407 PolarHBondContact N-O 3.43Å; I394-V407 PolarHBondContact O-N 3.32Å |
| 395 | S | 97 | Very high | 90.7 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.8 | 177.9 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | I373 G374 K405 | I373-S395 WeakPolarHBondContact CB-O 3.07Å; I373-S395 PolarHBondContact N-O 3.01Å; G374-S395 PolarHBondContact N-O 3.03Å; G374-S395 PolarHBondContact N-OG 3.31Å; G374-S395 PolarHBondContact O-N 3.07Å; S395-K405 CarbonylContact C-O 2.89Å; S395-K405 VanDerWaalsContact CA-O 3.24Å; S395-K405 WeakPolarHBondContact CA-O 3.36Å |
| 396 | W | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 156.1 | 178.5 | 70.2 | 100.6 | 0 | 0 | 0 | 111.8 | W3 L328 L365 D366 S371 I373 I394 K405 V407 | W3-W396 AromaticContact CH2-CH2 3.71Å; W3-W396 HydrophobicContact CH2-CH2 3.71Å; W3-W396 AromaticContact CH2-CZ2 3.83Å; W3-W396 HydrophobicContact CH2-CZ2 3.83Å; W3-W396 HydrophobicContact CZ2-CZ2 4.46Å; L328-W396 HydrophobicContact CD2-CB 3.89Å; L328-W396 HydrophobicContact CD2-CD2 3.58Å; L328-W396 HydrophobicContact CD2-CE3 4.1Å; L328-W396 HydrophobicContact CD2-CG 3.49Å; L328-W396 VanDerWaalsContact CD2-CG 3.49Å; L365-W396 HydrophobicContact CB-CH2 3.73Å; L365-W396 HydrophobicContact CB-CZ2 3.93Å; L365-W396 HydrophobicContact CB-CZ3 4.31Å; L365-W396 HydrophobicContact CD1-CH2 4.27Å; L365-W396 HydrophobicContact CD1-CZ3 4.04Å; L365-W396 HydrophobicContact CD2-CH2 4.43Å; L365-W396 HydrophobicContact CG-CH2 4.37Å; D366-W396 HydrophobicContact CB-CZ2 3.89Å; D366-W396 PolarHBondContact OD2-NE1 2.98Å; S371-W396 CarbonylContact O-C 3.59Å; S371-W396 WeakPolarHBondContact O-CA 3.35Å; S371-W396 VanDerWaalsContact O-CB 3.28Å; S371-W396 WeakPolarHBondContact O-CB 3.43Å; I373-W396 VanDerWaalsContact CD1-C 3.44Å; I394-W396 HydrophobicContact CG2-CE3 3.96Å; I394-W396 HydrophobicContact CG2-CZ3 3.92Å; W396-K405 HydrophobicContact CD2-CB 3.94Å; W396-K405 HydrophobicContact CE3-CB 4.26Å; W396-K405 HydrophobicContact CH2-CB 4.13Å; W396-K405 HydrophobicContact CZ2-CB 3.78Å; W396-K405 HydrophobicContact CZ2-CD 3.61Å; W396-K405 HydrophobicContact CZ2-CG 4.33Å; W396-K405 HydrophobicContact CZ3-CB 4.34Å; W396-K405 PolarHBondContact N-O 2.81Å; W396-K405 PolarHBondContact O-N 3.44Å; W396-V407 HydrophobicContact CH2-CG2 3.59Å; W396-V407 HydrophobicContact CZ3-CB 4.23Å; W396-V407 HydrophobicContact CZ3-CG2 3.7Å |
| 397 | H | 94.1 | Very high | 92.4 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 8% | 0.083 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.8 | 165.1 | 177.1 | -94.6 | 0 | 0 | 0 | 109.1 | C370 S371 I373 T442 | C370-H397 CarbonylContact C-O 3.56Å; C370-H397 WeakPolarHBondContact CA-O 3.4Å; S371-H397 PolarHBondContact N-O 3Å; S371-H397 PolarHBondContact O-N 2.73Å; I373-H397 HydrophobicContact CD1-CB 4.24Å; H397-T442 HydrophobicContact CB-CG2 3.92Å |
| 398 | S | 92.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.4 | 173.8 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | D366 A400 K402 K403 | D366-S398 WeakPolarHBondContact OD2-CB 3.39Å; D366-S398 PolarHBondContact OD2-OG 2.91Å; S398-A400 VanDerWaalsContact C-N 3.3Å; S398-A400 PolarHBondContact O-N 2.88Å; S398-K402 WeakPolarHBondContact O-CA 3.48Å; S398-K402 PolarHBondContact O-N 2.87Å; S398-K403 PolarHBondContact N-O 2.7Å; S398-K403 PolarHBondContact O-N 3.41Å |
| 399 | S | 86.2 | Confident | 94 | Very high | 54 Ų | 54 | 23.2 Ų | 23.2 | 38% | 0.378 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -20.3 | -176.8 | -43.3 | 0 | 0 | 0 | 0 | 112.8 | I369 | I369-S399 WeakPolarHBondContact O-CB 3.48Å; I369-S399 PolarHBondContact O-N 2.6Å; I369-S399 VanDerWaalsContact O-N 3.16Å; I369-S399 PolarHBondContact O-OG 2.85Å |
| 400 | A | 85.5 | Confident | 94.2 | Very high | 75 Ų | 75 | 23 Ų | 23 | 62% | 0.62 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -53.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | S398 K402 | S398-A400 VanDerWaalsContact C-N 3.3Å; S398-A400 PolarHBondContact O-N 2.88Å; A400-K402 VanDerWaalsContact C-N 3.35Å |
| 401 | D | 87.5 | Confident | 94.2 | Very high | 87 Ų | 87 | 22.3 Ų | 22.3 | 47% | 0.465 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.9 | -177.4 | -62.8 | -13.3 | 0 | 0 | 0 | 113.6 | K403 K405 | D401-K403 HydrophobicContact CB-CB 4.18Å; D401-K403 PolarHBondContact O-N 2.74Å; D401-K405 WeakPolarHBondContact OD2-CE 3.46Å; D401-K405 IonicContact OD2-NZ 2.72Å; D401-K405 PolarHBondContact OD2-NZ 2.96Å |
| 402 | K | 89.8 | Confident | 94 | Very high | 145 Ų | 145 | 24.8 Ų | 24.8 | 63% | 0.63 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.5 | -171.7 | -56.1 | 178.5 | -177.5 | 176.7 | 0 | 112.6 | S398 A400 | S398-K402 WeakPolarHBondContact O-CA 3.48Å; S398-K402 PolarHBondContact O-N 2.87Å; A400-K402 VanDerWaalsContact C-N 3.35Å |
| 403 | K | 92.3 | Very high | 93.8 | Very high | 68 Ų | 68 | 25.4 Ų | 25.4 | 30% | 0.296 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.2 | -175.5 | -80.4 | -179 | 162.6 | -151.7 | 0 | 110.7 | E5 S398 D401 I436 | E5-K403 IonicContact OE1-NZ 2.68Å; E5-K403 IonicContact OE2-NZ 3.1Å; E5-K403 PolarHBondContact OE2-NZ 2.97Å; S398-K403 PolarHBondContact N-O 2.7Å; S398-K403 PolarHBondContact O-N 3.41Å; D401-K403 HydrophobicContact CB-CB 4.18Å; D401-K403 PolarHBondContact O-N 2.74Å; K403-I436 HydrophobicContact CB-CG2 4.38Å; K403-I436 HydrophobicContact CD-CD1 4.42Å; K403-I436 HydrophobicContact CD-CG2 3.63Å; K403-I436 HydrophobicContact CG-CG2 4.22Å |
| 404 | N | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.5 | 167.7 | -59.7 | -71 | 0 | 0 | 0 | 108.7 | L437 Q441 G443 L477 | N404-L437 HydrophobicContact CB-CB 4.2Å; N404-L437 PolarHBondContact O-N 2.86Å; N404-Q441 PolarHBondContact ND2-O 2.78Å; N404-G443 PolarHBondContact OD1-N 2.81Å; N404-L477 HydrophobicContact CB-CD2 4.11Å |
| 405 | K | 96 | Very high | 93.4 | Very high | 10 Ų | 10 | 28 Ų | 28 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141 | -179.9 | -70.6 | 175.5 | -179.9 | 175.2 | 0 | 109.9 | W3 D366 S395 W396 D401 Y435 | W3-K405 HydrophobicContact CH2-CB 4Å; W3-K405 HydrophobicContact CH2-CD 3.7Å; W3-K405 HydrophobicContact CH2-CG 3.98Å; W3-K405 HydrophobicContact CZ2-CD 4.24Å; W3-K405 HydrophobicContact CZ3-CB 3.88Å; W3-K405 HydrophobicContact CZ3-CD 4.09Å; W3-K405 HydrophobicContact CZ3-CG 3.85Å; D366-K405 IonicContact OD1-NZ 2.99Å; D366-K405 PolarHBondContact OD1-NZ 3.04Å; D366-K405 WeakPolarHBondContact OD2-CD 3.08Å; D366-K405 IonicContact OD2-NZ 3.85Å; D366-K405 PolarHBondContact OD2-NZ 2.9Å; S395-K405 CarbonylContact C-O 2.89Å; S395-K405 VanDerWaalsContact CA-O 3.24Å; S395-K405 WeakPolarHBondContact CA-O 3.36Å; W396-K405 HydrophobicContact CD2-CB 3.94Å; W396-K405 HydrophobicContact CE3-CB 4.26Å; W396-K405 HydrophobicContact CH2-CB 4.13Å; W396-K405 HydrophobicContact CZ2-CB 3.78Å; W396-K405 HydrophobicContact CZ2-CD 3.61Å; W396-K405 HydrophobicContact CZ2-CG 4.33Å; W396-K405 HydrophobicContact CZ3-CB 4.34Å; W396-K405 PolarHBondContact N-O 2.81Å; W396-K405 PolarHBondContact O-N 3.44Å; D401-K405 WeakPolarHBondContact OD2-CE 3.46Å; D401-K405 IonicContact OD2-NZ 2.72Å; D401-K405 PolarHBondContact OD2-NZ 2.96Å; K405-Y435 CarbonylContact C-O 3.54Å; K405-Y435 WeakPolarHBondContact CA-O 3.41Å |
| 406 | L | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139 | 174.6 | 163.7 | 67.7 | 0 | 0 | 0 | 107.6 | V393 I394 L408 Y435 L437 L446 F473 | V393-L406 HydrophobicContact CG1-CD1 3.76Å; I394-L406 CarbonylContact O-C 3.53Å; I394-L406 WeakPolarHBondContact O-CA 3.3Å; L406-L408 HydrophobicContact CD1-CD2 4.11Å; L406-Y435 HydrophobicContact CD2-CD2 4.48Å; L406-Y435 HydrophobicContact CG-CD2 4.32Å; L406-Y435 PolarHBondContact N-O 2.88Å; L406-Y435 PolarHBondContact O-N 3.24Å; L406-L437 HydrophobicContact CB-CD1 4.46Å; L406-L437 HydrophobicContact CB-CG 4.46Å; L406-L437 HydrophobicContact CD2-CD2 4.37Å; L406-L446 HydrophobicContact CD1-CD1 4.34Å; L406-L446 HydrophobicContact CD1-CD2 4.38Å; L406-L446 HydrophobicContact CD2-CD1 4.39Å; L406-F473 HydrophobicContact CD2-CE2 4.07Å; L406-F473 HydrophobicContact CD2-CZ 4.26Å |
| 407 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.2 | 171.9 | 169.9 | 0 | 0 | 0 | 0 | 108.4 | M1 W3 I394 W396 M432 S433 | M1-V407 HydrophobicContact CE-CG1 3.85Å; M1-V407 HydrophobicContact CE-CG2 3.75Å; M1-V407 HydrophobicContact SD-CG2 3.99Å; W3-V407 HydrophobicContact CH2-CG2 3.98Å; W3-V407 HydrophobicContact CZ3-CG2 4.29Å; I394-V407 HydrophobicContact CB-CB 4.46Å; I394-V407 PolarHBondContact N-O 3.43Å; I394-V407 PolarHBondContact O-N 3.32Å; W396-V407 HydrophobicContact CH2-CG2 3.59Å; W396-V407 HydrophobicContact CZ3-CB 4.23Å; W396-V407 HydrophobicContact CZ3-CG2 3.7Å; V407-M432 HydrophobicContact CG1-CE 3.66Å; V407-M432 HydrophobicContact CG1-CG 4Å; V407-M432 HydrophobicContact CG1-SD 4.48Å; V407-S433 WeakPolarHBondContact CA-O 3.12Å |
| 408 | L | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.8 | 170 | -58.7 | -178.4 | 0 | 0 | 0 | 108.3 | L391 V393 L406 M432 S433 Y435 L448 P468 L471 F473 | L391-L408 HydrophobicContact CD1-CD1 4.26Å; L391-L408 HydrophobicContact CD1-CD2 4.46Å; V393-L408 HydrophobicContact CB-CD2 4.43Å; V393-L408 HydrophobicContact CG1-CD2 4.13Å; V393-L408 HydrophobicContact CG2-CD2 4.15Å; L406-L408 HydrophobicContact CD1-CD2 4.11Å; L408-M432 WeakPolarHBondContact O-CA 3.48Å; L408-S433 PolarHBondContact N-O 2.9Å; L408-S433 PolarHBondContact O-N 2.86Å; L408-Y435 HydrophobicContact CB-CE2 4.27Å; L408-Y435 HydrophobicContact CD1-CE2 3.83Å; L408-Y435 HydrophobicContact CG-CD2 4.3Å; L408-Y435 HydrophobicContact CG-CE2 3.88Å; L408-L448 HydrophobicContact CD2-CD2 3.8Å; L408-P468 HydrophobicContact CB-CB 4.26Å; L408-L471 HydrophobicContact CD1-CD1 4.44Å; L408-F473 HydrophobicContact CD1-CD1 4.01Å; L408-F473 HydrophobicContact CD1-CE1 3.48Å; L408-F473 VanDerWaalsContact CD1-CE1 3.48Å; L408-F473 HydrophobicContact CD1-CZ 3.82Å |
| 409 | F | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.9 | 171.2 | 174.7 | -66.7 | 0 | 0 | 0 | 107.5 | M330 L332 N361 L391 I392 I411 W414 Y431 M432 | M330-F409 HydrophobicContact CE-CE2 4.44Å; M330-F409 HydrophobicContact SD-CD2 4.39Å; L332-F409 HydrophobicContact CD2-CE1 4.17Å; L332-F409 HydrophobicContact CD2-CZ 3.95Å; N361-F409 HydrophobicContact CB-CE2 4.43Å; N361-F409 HydrophobicContact CB-CZ 4.49Å; L391-F409 CarbonylContact C-O 3.04Å; L391-F409 WeakPolarHBondContact CA-O 3.36Å; I392-F409 HydrophobicContact CB-CB 4.22Å; I392-F409 HydrophobicContact CD1-CD1 3.66Å; I392-F409 HydrophobicContact CD1-CE1 4.02Å; I392-F409 HydrophobicContact CD1-CG 4.31Å; I392-F409 HydrophobicContact CG1-CD1 4.18Å; I392-F409 PolarHBondContact N-O 3.21Å; I392-F409 PolarHBondContact O-N 2.89Å; F409-I411 HydrophobicContact CE1-CD1 3.9Å; F409-W414 HydrophobicContact CE1-CB 3.8Å; F409-W414 HydrophobicContact CE1-CD2 4.4Å; F409-W414 AromaticContact CE1-CG 3.95Å; F409-W414 HydrophobicContact CE1-CG 3.95Å; F409-W414 HydrophobicContact CE2-CG 4.39Å; F409-W414 HydrophobicContact CZ-CB 3.76Å; F409-W414 AromaticContact CZ-CD1 3.63Å; F409-W414 AromaticContact CZ-CD2 3.93Å; F409-W414 HydrophobicContact CZ-CD2 3.93Å; F409-W414 AromaticContact CZ-CG 3.45Å; F409-W414 HydrophobicContact CZ-CG 3.45Å; F409-W414 VanDerWaalsContact CZ-CG 3.45Å; F409-Y431 CarbonylContact C-O 3.26Å; F409-Y431 WeakPolarHBondContact CA-O 3.48Å; F409-Y431 AromaticContact CD2-CD2 3.66Å; F409-Y431 HydrophobicContact CD2-CD2 3.66Å; F409-Y431 AromaticContact CD2-CE2 3.87Å; F409-Y431 HydrophobicContact CD2-CE2 3.87Å; F409-Y431 AromaticContact CE2-CD2 3.46Å; F409-Y431 HydrophobicContact CE2-CD2 3.46Å; F409-Y431 VanDerWaalsContact CE2-CD2 3.46Å; F409-Y431 AromaticContact CE2-CE2 3.47Å; F409-Y431 HydrophobicContact CE2-CE2 3.47Å; F409-Y431 VanDerWaalsContact CE2-CE2 3.47Å; F409-Y431 HydrophobicContact CG-CD2 4.37Å; F409-Y431 HydrophobicContact CZ-CD2 4Å; F409-Y431 HydrophobicContact CZ-CE2 4.27Å; F409-M432 HydrophobicContact CB-CE 4.28Å; F409-M432 HydrophobicContact CD2-CE 3.78Å |
| 410 | D | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 121 | 176.6 | -173.8 | -8 | 0 | 0 | 0 | 110 | L391 N412 Q413 W414 Y431 P468 | L391-D410 HydrophobicContact CD2-CB 3.55Å; D410-N412 VanDerWaalsContact C-N 3.28Å; D410-N412 PolarHBondContact O-N 2.99Å; D410-N412 WeakPolarHBondContact OD1-CB 3.37Å; D410-N412 PolarHBondContact OD1-N 3.23Å; D410-Q413 HydrophobicContact CB-CB 4.27Å; D410-Q413 HydrophobicContact CB-CG 4.12Å; D410-W414 WeakPolarHBondContact O-CB 3.46Å; D410-W414 PolarHBondContact O-N 2.97Å; D410-Y431 PolarHBondContact N-O 2.8Å; D410-P468 HydrophobicContact CB-CG 3.91Å |
| 411 | I | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -30.1 | 178.7 | -157.1 | 66.6 | 0 | 0 | 0 | 111.6 | I306 P308 L332 L390 F409 W414 Y415 | I306-I411 HydrophobicContact CD1-CB 3.77Å; I306-I411 HydrophobicContact CD1-CD1 4.47Å; I306-I411 HydrophobicContact CD1-CG1 4.15Å; I306-I411 HydrophobicContact CD1-CG2 4Å; P308-I411 HydrophobicContact CG-CG1 3.94Å; P308-I411 HydrophobicContact CG-CG2 4.48Å; L332-I411 HydrophobicContact CD2-CD1 3.94Å; L390-I411 HydrophobicContact CB-CG2 3.81Å; L390-I411 HydrophobicContact CD2-CG2 4.05Å; L390-I411 HydrophobicContact CG-CG2 4.05Å; L390-I411 VanDerWaalsContact O-CG2 3.31Å; L390-I411 WeakPolarHBondContact O-CG2 3.43Å; L390-I411 PolarHBondContact O-N 2.87Å; F409-I411 HydrophobicContact CE1-CD1 3.9Å; I411-W414 HydrophobicContact CD1-CD2 4.44Å; I411-W414 HydrophobicContact CD1-CE3 3.59Å; I411-W414 HydrophobicContact CD1-CZ3 4.11Å; I411-W414 HydrophobicContact CG1-CE3 4.43Å; I411-W414 PolarHBondContact O-N 2.77Å; I411-Y415 HydrophobicContact CD1-CE2 4.3Å; I411-Y415 HydrophobicContact CG1-CD2 4.22Å; I411-Y415 HydrophobicContact CG1-CE2 3.93Å; I411-Y415 WeakPolarHBondContact O-CD2 3.28Å; I411-Y415 PolarHBondContact O-N 2.85Å |
| 412 | N | 92.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.9 | -46.7 | -178.1 | -64.3 | -4.8 | 0 | 0 | 0 | 110.2 | G388 D410 W414 Y415 K416 | G388-N412 PolarHBondContact O-ND2 2.8Å; D410-N412 VanDerWaalsContact C-N 3.28Å; D410-N412 PolarHBondContact O-N 2.99Å; D410-N412 WeakPolarHBondContact OD1-CB 3.37Å; D410-N412 PolarHBondContact OD1-N 3.23Å; N412-W414 VanDerWaalsContact C-N 3.32Å; N412-W414 PolarHBondContact O-N 2.85Å; N412-Y415 PolarHBondContact O-N 2.92Å; N412-K416 PolarHBondContact O-N 3.02Å |
| 413 | Q | 93.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 35.9 Ų | 35.9 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -33.8 | 171.9 | -57.8 | -37.2 | -46.4 | 0 | 0 | 111.9 | D410 Y415 K416 D417 F466 Y467 | D410-Q413 HydrophobicContact CB-CB 4.27Å; D410-Q413 HydrophobicContact CB-CG 4.12Å; Q413-Y415 VanDerWaalsContact C-N 3.3Å; Q413-Y415 PolarHBondContact O-N 2.81Å; Q413-K416 WeakPolarHBondContact O-CB 3.43Å; Q413-K416 PolarHBondContact O-N 2.65Å; Q413-K416 VanDerWaalsContact O-N 3.1Å; Q413-K416 VanDerWaalsContact OE1-CD 3.28Å; Q413-D417 PolarHBondContact O-N 2.82Å; Q413-F466 PolarHBondContact NE2-O 2.59Å; Q413-F466 VanDerWaalsContact NE2-O 3.1Å; Q413-Y467 HydrophobicContact CG-CD1 4.34Å |
| 414 | W | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.4 | -30.9 | 175.1 | -179.7 | 72 | 0 | 0 | 0 | 112.8 | Y317 L332 R360 N361 F409 D410 I411 N412 M419 P420 Y431 | Y317-W414 AromaticContact CE1-CH2 3.95Å; Y317-W414 HydrophobicContact CE1-CH2 3.95Å; Y317-W414 AromaticContact CE1-CZ3 3.8Å; Y317-W414 HydrophobicContact CE1-CZ3 3.8Å; L332-W414 HydrophobicContact CD2-CE3 4.32Å; L332-W414 HydrophobicContact CD2-CH2 4.36Å; L332-W414 HydrophobicContact CD2-CZ3 4.23Å; R360-W414 HydrophobicContact CB-CH2 3.71Å; R360-W414 HydrophobicContact CB-CZ2 3.89Å; R360-W414 HydrophobicContact CG-CH2 4.4Å; N361-W414 HydrophobicContact CB-CZ2 4.29Å; N361-W414 PolarHBondContact ND2-NE1 2.74Å; F409-W414 HydrophobicContact CE1-CB 3.8Å; F409-W414 HydrophobicContact CE1-CD2 4.4Å; F409-W414 AromaticContact CE1-CG 3.95Å; F409-W414 HydrophobicContact CE1-CG 3.95Å; F409-W414 HydrophobicContact CE2-CG 4.39Å; F409-W414 HydrophobicContact CZ-CB 3.76Å; F409-W414 AromaticContact CZ-CD1 3.63Å; F409-W414 AromaticContact CZ-CD2 3.93Å; F409-W414 HydrophobicContact CZ-CD2 3.93Å; F409-W414 AromaticContact CZ-CG 3.45Å; F409-W414 HydrophobicContact CZ-CG 3.45Å; F409-W414 VanDerWaalsContact CZ-CG 3.45Å; D410-W414 WeakPolarHBondContact O-CB 3.46Å; D410-W414 PolarHBondContact O-N 2.97Å; I411-W414 HydrophobicContact CD1-CD2 4.44Å; I411-W414 HydrophobicContact CD1-CE3 3.59Å; I411-W414 HydrophobicContact CD1-CZ3 4.11Å; I411-W414 HydrophobicContact CG1-CE3 4.43Å; I411-W414 PolarHBondContact O-N 2.77Å; N412-W414 VanDerWaalsContact C-N 3.32Å; N412-W414 PolarHBondContact O-N 2.85Å; W414-M419 HydrophobicContact CD2-CB 4.48Å; W414-M419 HydrophobicContact CE3-CG 4.21Å; W414-M419 HydrophobicContact CH2-CB 3.67Å; W414-M419 HydrophobicContact CH2-CG 3.74Å; W414-M419 HydrophobicContact CH2-SD 4.02Å; W414-M419 HydrophobicContact CZ2-CB 3.53Å; W414-M419 HydrophobicContact CZ2-CG 4.08Å; W414-M419 HydrophobicContact CZ3-CB 4.22Å; W414-M419 HydrophobicContact CZ3-CG 3.83Å; W414-M419 HydrophobicContact CZ3-SD 4.17Å; W414-M419 VanDerWaalsContact O-CA 3.24Å; W414-M419 WeakPolarHBondContact O-CA 3.47Å; W414-M419 PolarHBondContact O-N 2.82Å; W414-P420 PolarHBondContact NE1-O 3.44Å; W414-Y431 HydrophobicContact CB-CD2 4.26Å; W414-Y431 HydrophobicContact CB-CG 4.05Å; W414-Y431 AromaticContact CD1-CD2 3.94Å; W414-Y431 HydrophobicContact CG-CD2 4.46Å; W414-Y431 HydrophobicContact CG-CG 4.49Å |
| 415 | Y | 92.6 | Very high | 92.1 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 24% | 0.239 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 168.7 | -87.2 | -127.6 | 0 | 0 | 0 | 111.4 | P308 D311 Y317 I411 N412 Q413 E418 M419 | P308-Y415 HydrophobicContact CG-CE2 4.12Å; D311-Y415 WeakPolarHBondContact OD2-CE1 3.21Å; D311-Y415 PolarHBondContact OD2-OH 2.79Å; Y317-Y415 WeakPolarHBondContact CE2-OH 3.38Å; Y317-Y415 PolarHBondContact OH-OH 2.79Å; I411-Y415 HydrophobicContact CD1-CE2 4.3Å; I411-Y415 HydrophobicContact CG1-CD2 4.22Å; I411-Y415 HydrophobicContact CG1-CE2 3.93Å; I411-Y415 WeakPolarHBondContact O-CD2 3.28Å; I411-Y415 PolarHBondContact O-N 2.85Å; N412-Y415 PolarHBondContact O-N 2.92Å; Q413-Y415 VanDerWaalsContact C-N 3.3Å; Q413-Y415 PolarHBondContact O-N 2.81Å; Y415-E418 PolarHBondContact O-N 3.19Å; Y415-M419 HydrophobicContact CD1-CE 3.46Å; Y415-M419 VanDerWaalsContact CD1-CE 3.46Å; Y415-M419 HydrophobicContact CD2-CE 3.94Å; Y415-M419 HydrophobicContact CE1-CE 3.29Å; Y415-M419 HydrophobicContact CE2-CE 3.82Å; Y415-M419 HydrophobicContact CG-CE 3.78Å; Y415-M419 VanDerWaalsContact CZ-CE 3.49Å |
| 416 | K | 91.9 | Very high | 91.2 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 179.7 | -165.3 | -179.9 | -172.6 | 170.7 | 0 | 113.1 | N412 Q413 E418 D463 | N412-K416 PolarHBondContact O-N 3.02Å; Q413-K416 WeakPolarHBondContact O-CB 3.43Å; Q413-K416 PolarHBondContact O-N 2.65Å; Q413-K416 VanDerWaalsContact O-N 3.1Å; Q413-K416 VanDerWaalsContact OE1-CD 3.28Å; K416-E418 PolarHBondContact O-N 2.91Å; K416-D463 WeakPolarHBondContact CE-OD2 3.43Å; K416-D463 IonicContact NZ-OD1 3.8Å; K416-D463 PolarHBondContact NZ-OD1 2.88Å; K416-D463 IonicContact NZ-OD2 2.66Å; K416-D463 PolarHBondContact NZ-OD2 3.05Å; K416-D463 VanDerWaalsContact NZ-OD2 3.13Å |
| 417 | D | 92.3 | Very high | 90.5 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 16.4 | 174.6 | -77.2 | 0.1 | 0 | 0 | 0 | 113.5 | Q413 P420 N430 Y431 | Q413-D417 PolarHBondContact O-N 2.82Å; D417-P420 HydrophobicContact CB-CG 4.16Å; D417-P420 WeakPolarHBondContact O-CD 3.34Å; D417-N430 PolarHBondContact OD1-ND2 2.7Å; D417-N430 WeakPolarHBondContact OD2-CB 3.21Å; D417-N430 PolarHBondContact OD2-ND2 2.74Å; D417-Y431 HydrophobicContact CB-CD1 4.32Å; D417-Y431 WeakPolarHBondContact OD2-CD1 3.41Å |
| 418 | E | 93.5 | Very high | 89.9 | Confident | 161 Ų | 161 | 64.5 Ų | 64.5 | 75% | 0.752 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 33.2 | -177.2 | -54.8 | -162.5 | 148.8 | 0 | 0 | 116.5 | Y415 K416 | Y415-E418 PolarHBondContact O-N 3.19Å; K416-E418 PolarHBondContact O-N 2.91Å |
| 419 | M | 92.8 | Very high | 89.5 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | trans | 57.7 | 52.3 | 177.3 | -59.1 | -175.6 | -177.1 | 0 | 0 | 114.9 | W414 Y415 | W414-M419 HydrophobicContact CD2-CB 4.48Å; W414-M419 HydrophobicContact CE3-CG 4.21Å; W414-M419 HydrophobicContact CH2-CB 3.67Å; W414-M419 HydrophobicContact CH2-CG 3.74Å; W414-M419 HydrophobicContact CH2-SD 4.02Å; W414-M419 HydrophobicContact CZ2-CB 3.53Å; W414-M419 HydrophobicContact CZ2-CG 4.08Å; W414-M419 HydrophobicContact CZ3-CB 4.22Å; W414-M419 HydrophobicContact CZ3-CG 3.83Å; W414-M419 HydrophobicContact CZ3-SD 4.17Å; W414-M419 VanDerWaalsContact O-CA 3.24Å; W414-M419 WeakPolarHBondContact O-CA 3.47Å; W414-M419 PolarHBondContact O-N 2.82Å; Y415-M419 HydrophobicContact CD1-CE 3.46Å; Y415-M419 VanDerWaalsContact CD1-CE 3.46Å; Y415-M419 HydrophobicContact CD2-CE 3.94Å; Y415-M419 HydrophobicContact CE1-CE 3.29Å; Y415-M419 HydrophobicContact CE2-CE 3.82Å; Y415-M419 HydrophobicContact CG-CE 3.78Å; Y415-M419 VanDerWaalsContact CZ-CE 3.49Å | ||
| 420 | P | 93.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | trans | -62.7 | 145.2 | -175.1 | 26.8 | -34.9 | 0 | 0 | 0 | 111.5 | N361 W414 D417 Y431 | N361-P420 PolarHBondContact ND2-O 3.23Å; W414-P420 PolarHBondContact NE1-O 3.44Å; D417-P420 HydrophobicContact CB-CG 4.16Å; D417-P420 WeakPolarHBondContact O-CD 3.34Å; P420-Y431 HydrophobicContact CB-CE1 4.47Å; P420-Y431 HydrophobicContact CG-CD1 4.02Å; P420-Y431 HydrophobicContact CG-CE1 3.37Å | ||
| 421 | T | 91.7 | Very high | 89.2 | Confident | 93 Ų | 93 | 67.2 Ų | 67.2 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -87.5 | -17.8 | -170.4 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | R360 N361 R362 | R360-T421 WeakPolarHBondContact O-CA 3.14Å; N361-T421 CarbonylContact C-O 3.53Å; N361-T421 WeakPolarHBondContact CA-O 3.35Å; R362-T421 PolarHBondContact N-O 3.49Å |
| 422 | S | 88.3 | Confident | 89.1 | Confident | 43 Ų | 43 | 67.6 Ų | 67.6 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -164.5 | 161.2 | 172.5 | 52.8 | 0 | 0 | 0 | 0 | 108 | R362 | R362-S422 WeakPolarHBondContact O-CB 3.41Š|
| 423 | V | 86.4 | Confident | 89.3 | Confident | 34 Ų | 34 | 65.2 Ų | 65.2 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 133.2 | 167.8 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | E427 P429 | V423-E427 HydrophobicContact CG1-CB 4.25Å; V423-E427 WeakPolarHBondContact CG1-O 3.31Å; V423-P429 HydrophobicContact CG1-CB 4.49Å; V423-P429 HydrophobicContact CG1-CG 4.3Å; V423-P429 HydrophobicContact CG2-CB 3.84Å; V423-P429 HydrophobicContact CG2-CG 3.77Å |
| 424 | H | 82 | Confident | 89.4 | Confident | 116 Ų | 116 | 64.6 Ų | 64.6 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 156.5 | 174.6 | -68.3 | -72.8 | 0 | 0 | 0 | 111.8 | N426 E427 | H424-N426 PolarHBondContact O-N 2.73Å; H424-E427 HydrophobicContact CB-CB 4.06Å; H424-E427 WeakPolarHBondContact CB-OE2 3.47Å; H424-E427 IonicContact CD2-OE1 3.68Å; H424-E427 IonicContact CD2-OE2 2.68Å; H424-E427 PolarHBondContact CD2-OE2 3.04Å; H424-E427 IonicContact CG-OE2 2.9Å; H424-E427 PolarHBondContact N-OE2 3.25Å; H424-E427 WeakPolarHBondContact O-CB 3.26Å; H424-E427 PolarHBondContact O-N 3.45Å |
| 425 | K | 75.5 | Confident | 89.4 | Confident | 201 Ų | 201 | 64.6 Ų | 64.6 | 87% | 0.874 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 132.9 | 175.3 | -72.4 | -171.8 | 176.2 | -173.7 | 0 | 109.2 | E427 | K425-E427 VanDerWaalsContact C-N 3.26Å; K425-E427 PolarHBondContact O-N 3.27Å |
| 426 | N | 77.2 | Confident | 89.6 | Confident | 177 Ų | 177 | 62.9 Ų | 62.9 | 95% | 0.947 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 7.9 | -177.1 | -46 | -8.5 | 0 | 0 | 0 | 115.2 | H424 | H424-N426 PolarHBondContact O-N 2.73Š|
| 427 | E | 82.5 | Confident | 89.8 | Confident | 89 Ų | 89 | 58.6 Ų | 58.6 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 146.1 | 176.3 | -172.4 | 177.9 | -122.2 | 0 | 0 | 111.7 | V423 H424 K425 | V423-E427 HydrophobicContact CG1-CB 4.25Å; V423-E427 WeakPolarHBondContact CG1-O 3.31Å; H424-E427 HydrophobicContact CB-CB 4.06Å; H424-E427 WeakPolarHBondContact CB-OE2 3.47Å; H424-E427 IonicContact CD2-OE1 3.68Å; H424-E427 IonicContact CD2-OE2 2.68Å; H424-E427 PolarHBondContact CD2-OE2 3.04Å; H424-E427 IonicContact CG-OE2 2.9Å; H424-E427 PolarHBondContact N-OE2 3.25Å; H424-E427 WeakPolarHBondContact O-CB 3.26Å; H424-E427 PolarHBondContact O-N 3.45Å; K425-E427 VanDerWaalsContact C-N 3.26Å; K425-E427 PolarHBondContact O-N 3.27Å |
| 428 | V | 82.8 | Confident | 89.7 | Confident | 97 Ų | 97 | 57.4 Ų | 57.4 | 59% | 0.588 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -103.9 | 118.9 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | ||
| 429 | P | 89.2 | Confident | 89.1 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 125.2 | -177.3 | 30.5 | -33.9 | 0 | 0 | 0 | 111.9 | V423 Y431 M432 | V423-P429 HydrophobicContact CG1-CB 4.49Å; V423-P429 HydrophobicContact CG1-CG 4.3Å; V423-P429 HydrophobicContact CG2-CB 3.84Å; V423-P429 HydrophobicContact CG2-CG 3.77Å; P429-Y431 HydrophobicContact CB-CD1 3.95Å; P429-Y431 HydrophobicContact CB-CE1 3.64Å; P429-Y431 HydrophobicContact CB-CE2 4.38Å; P429-Y431 HydrophobicContact CB-CG 4.45Å; P429-Y431 PolarHBondContact O-N 2.88Å; P429-M432 HydrophobicContact CB-CB 4.21Å; P429-M432 HydrophobicContact CG-CB 3.98Å; P429-M432 HydrophobicContact CG-CG 4.39Å; P429-M432 PolarHBondContact O-N 2.88Å |
| 430 | N | 91.7 | Very high | 88.3 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25 | 175.8 | -52.2 | -43.1 | 0 | 0 | 0 | 111.9 | D417 Y467 P468 | D417-N430 PolarHBondContact OD1-ND2 2.7Å; D417-N430 WeakPolarHBondContact OD2-CB 3.21Å; D417-N430 PolarHBondContact OD2-ND2 2.74Å; N430-Y467 HydrophobicContact CB-CD1 3.93Å; N430-Y467 HydrophobicContact CB-CD2 3.92Å; N430-Y467 HydrophobicContact CB-CE1 3.69Å; N430-Y467 HydrophobicContact CB-CE2 3.66Å; N430-Y467 HydrophobicContact CB-CG 4.07Å; N430-Y467 VanDerWaalsContact CG-CE2 3.49Å; N430-Y467 VanDerWaalsContact CG-CZ 3.45Å; N430-Y467 WeakPolarHBondContact OD1-CE2 3.43Å; N430-P468 WeakPolarHBondContact O-CD 3.35Å |
| 431 | Y | 93.8 | Very high | 87.7 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.5 | -177.2 | 64.8 | -91.7 | 0 | 0 | 0 | 115.9 | N361 Q363 F409 D410 W414 D417 P420 P429 | N361-Y431 PolarHBondContact ND2-OH 3.12Å; Q363-Y431 PolarHBondContact NE2-OH 3.43Å; F409-Y431 CarbonylContact C-O 3.26Å; F409-Y431 WeakPolarHBondContact CA-O 3.48Å; F409-Y431 AromaticContact CD2-CD2 3.66Å; F409-Y431 HydrophobicContact CD2-CD2 3.66Å; F409-Y431 AromaticContact CD2-CE2 3.87Å; F409-Y431 HydrophobicContact CD2-CE2 3.87Å; F409-Y431 AromaticContact CE2-CD2 3.46Å; F409-Y431 HydrophobicContact CE2-CD2 3.46Å; F409-Y431 VanDerWaalsContact CE2-CD2 3.46Å; F409-Y431 AromaticContact CE2-CE2 3.47Å; F409-Y431 HydrophobicContact CE2-CE2 3.47Å; F409-Y431 VanDerWaalsContact CE2-CE2 3.47Å; F409-Y431 HydrophobicContact CG-CD2 4.37Å; F409-Y431 HydrophobicContact CZ-CD2 4Å; F409-Y431 HydrophobicContact CZ-CE2 4.27Å; D410-Y431 PolarHBondContact N-O 2.8Å; W414-Y431 HydrophobicContact CB-CD2 4.26Å; W414-Y431 HydrophobicContact CB-CG 4.05Å; W414-Y431 AromaticContact CD1-CD2 3.94Å; W414-Y431 HydrophobicContact CG-CD2 4.46Å; W414-Y431 HydrophobicContact CG-CG 4.49Å; D417-Y431 HydrophobicContact CB-CD1 4.32Å; D417-Y431 WeakPolarHBondContact OD2-CD1 3.41Å; P420-Y431 HydrophobicContact CB-CE1 4.47Å; P420-Y431 HydrophobicContact CG-CD1 4.02Å; P420-Y431 HydrophobicContact CG-CE1 3.37Å; P429-Y431 HydrophobicContact CB-CD1 3.95Å; P429-Y431 HydrophobicContact CB-CE1 3.64Å; P429-Y431 HydrophobicContact CB-CE2 4.38Å; P429-Y431 HydrophobicContact CB-CG 4.45Å; P429-Y431 PolarHBondContact O-N 2.88Å |
| 432 | M | 93.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.034 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 120.3 | -168.8 | 168 | 173.8 | -101.3 | 0 | 0 | 112.9 | M1 M330 Q363 L365 V407 L408 F409 P429 | M1-M432 HydrophobicContact CE-CE 4.06Å; M1-M432 HydrophobicContact CE-CG 3.55Å; M1-M432 HydrophobicContact CE-SD 3.41Å; M1-M432 WeakPolarHBondContact CE-SD 3.39Å; M330-M432 HydrophobicContact SD-CE 4.41Å; Q363-M432 HydrophobicContact CG-CE 3.98Å; Q363-M432 HydrophobicContact CG-SD 4.07Å; L365-M432 HydrophobicContact CD2-CE 4.38Å; V407-M432 HydrophobicContact CG1-CE 3.66Å; V407-M432 HydrophobicContact CG1-CG 4Å; V407-M432 HydrophobicContact CG1-SD 4.48Å; L408-M432 WeakPolarHBondContact O-CA 3.48Å; F409-M432 HydrophobicContact CB-CE 4.28Å; F409-M432 HydrophobicContact CD2-CE 3.78Å; P429-M432 HydrophobicContact CB-CB 4.21Å; P429-M432 HydrophobicContact CG-CB 3.98Å; P429-M432 HydrophobicContact CG-CG 4.39Å; P429-M432 PolarHBondContact O-N 2.88Å |
| 433 | S | 95 | Very high | 87.7 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.6 | 172.3 | -168.9 | 0 | 0 | 0 | 0 | 112.8 | H4 V407 L408 | H4-S433 PolarHBondContact CD2-OG 3.12Å; H4-S433 VanDerWaalsContact CD2-OG 3.25Å; H4-S433 PolarHBondContact NE2-OG 2.81Å; H4-S433 VanDerWaalsContact NE2-OG 3.13Å; V407-S433 WeakPolarHBondContact CA-O 3.12Å; L408-S433 PolarHBondContact N-O 2.9Å; L408-S433 PolarHBondContact O-N 2.86Å |
| 434 | G | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 143.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E2 W3 H4 | E2-G434 PolarHBondContact O-N 3.15Å; W3-G434 WeakPolarHBondContact CA-O 3.35Å; W3-G434 VanDerWaalsContact CE3-C 3.5Å; H4-G434 PolarHBondContact N-O 2.81Å |
| 435 | Y | 96.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 137.2 | -176.1 | -61.8 | -85.7 | 0 | 0 | 0 | 110.4 | H4 V6 K405 L406 L408 P468 N469 F473 Q488 | H4-Y435 HydrophobicContact CB-CD1 4.11Å; H4-Y435 HydrophobicContact CB-CE1 4.29Å; H4-Y435 AromaticContact CD2-CE1 3.74Å; H4-Y435 CarbonylContact O-C 3.38Å; H4-Y435 VanDerWaalsContact O-CA 3.29Å; H4-Y435 WeakPolarHBondContact O-CA 3.23Å; V6-Y435 HydrophobicContact CG2-CD1 3.81Å; V6-Y435 HydrophobicContact CG2-CG 4.34Å; K405-Y435 CarbonylContact C-O 3.54Å; K405-Y435 WeakPolarHBondContact CA-O 3.41Å; L406-Y435 HydrophobicContact CD2-CD2 4.48Å; L406-Y435 HydrophobicContact CG-CD2 4.32Å; L406-Y435 PolarHBondContact N-O 2.88Å; L406-Y435 PolarHBondContact O-N 3.24Å; L408-Y435 HydrophobicContact CB-CE2 4.27Å; L408-Y435 HydrophobicContact CD1-CE2 3.83Å; L408-Y435 HydrophobicContact CG-CD2 4.3Å; L408-Y435 HydrophobicContact CG-CE2 3.88Å; Y435-P468 PolarHBondContact OH-O 2.95Å; Y435-N469 WeakPolarHBondContact OH-CA 3.19Å; Y435-F473 HydrophobicContact CD1-CZ 4.15Å; Y435-F473 HydrophobicContact CD2-CZ 4.33Å; Y435-F473 HydrophobicContact CE1-CE1 4.05Å; Y435-F473 AromaticContact CE1-CZ 3.97Å; Y435-F473 HydrophobicContact CE1-CZ 3.97Å; Y435-F473 HydrophobicContact CE2-CE1 4.23Å; Y435-F473 HydrophobicContact CE2-CZ 4.15Å; Y435-F473 HydrophobicContact CG-CZ 4.34Å; Y435-F473 AromaticContact CZ-CE1 3.8Å; Y435-F473 AromaticContact CZ-CZ 3.96Å; Y435-Q488 HydrophobicContact CD1-CG 4.27Å; Y435-Q488 HydrophobicContact CE1-CG 3.78Å |
| 436 | I | 95.8 | Very high | 89.7 | Confident | 24 Ų | 24 | 40.7 Ų | 40.7 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 116 | 173.7 | -69.3 | 173.9 | 0 | 0 | 0 | 107.1 | W3 H4 E5 V6 K403 S438 | W3-I436 HydrophobicContact CB-CD1 4.22Å; W3-I436 HydrophobicContact CE3-CG1 3.91Å; H4-I436 PolarHBondContact O-N 3.04Å; E5-I436 HydrophobicContact CG-CG2 4.29Å; V6-I436 PolarHBondContact N-O 2.96Å; K403-I436 HydrophobicContact CB-CG2 4.38Å; K403-I436 HydrophobicContact CD-CD1 4.42Å; K403-I436 HydrophobicContact CD-CG2 3.63Å; K403-I436 HydrophobicContact CG-CG2 4.22Å; I436-S438 PolarHBondContact O-N 2.83Å |
| 437 | L | 95.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110.8 | 179.2 | -53.2 | -179.9 | 0 | 0 | 0 | 108.8 | V6 N404 L406 G439 L446 L477 Y486 | V6-L437 HydrophobicContact CB-CD2 3.94Å; V6-L437 HydrophobicContact CG1-CD2 4.42Å; V6-L437 HydrophobicContact CG2-CD2 3.92Å; N404-L437 HydrophobicContact CB-CB 4.2Å; N404-L437 PolarHBondContact O-N 2.86Å; L406-L437 HydrophobicContact CB-CD1 4.46Å; L406-L437 HydrophobicContact CB-CG 4.46Å; L406-L437 HydrophobicContact CD2-CD2 4.37Å; L437-G439 PolarHBondContact O-N 3.13Å; L437-L446 HydrophobicContact CD1-CD1 3.63Å; L437-L477 HydrophobicContact CD1-CD1 4.42Å; L437-L477 HydrophobicContact CD1-CD2 4.46Å; L437-Y486 HydrophobicContact CB-CD1 4.29Å; L437-Y486 HydrophobicContact CB-CD2 4.41Å; L437-Y486 HydrophobicContact CB-CE1 3.89Å; L437-Y486 HydrophobicContact CB-CE2 4.01Å; L437-Y486 HydrophobicContact CD1-CD2 4.33Å; L437-Y486 HydrophobicContact CD1-CE2 4.31Å; L437-Y486 HydrophobicContact CD2-CD1 4.32Å; L437-Y486 HydrophobicContact CD2-CD2 4.36Å; L437-Y486 HydrophobicContact CD2-CG 4.13Å |
| 438 | S | 90.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | trans | -62.9 | 129.6 | -172.7 | -58.9 | 0 | 0 | 0 | 0 | 112.2 | E5 V6 I436 Y486 | E5-S438 WeakPolarHBondContact CG-OG 3.36Å; E5-S438 PolarHBondContact OE1-OG 2.94Å; V6-S438 WeakPolarHBondContact O-CB 3.32Å; V6-S438 PolarHBondContact O-N 2.86Å; V6-S438 PolarHBondContact O-OG 3.03Å; I436-S438 PolarHBondContact O-N 2.83Å; S438-Y486 WeakPolarHBondContact O-CE1 3.46Å; S438-Y486 PolarHBondContact O-OH 3.41Å | ||
| 439 | G | 82.1 | Confident | 91.4 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 145.1 | 152 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L437 | L437-G439 PolarHBondContact O-N 3.13Š|
| 440 | L | 74.7 | Confident | 91.5 | Very high | 163 Ų | 163 | 32.2 Ų | 32.2 | 85% | 0.853 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -90.7 | -3.8 | -175 | -65.1 | 172.9 | 0 | 0 | 0 | 114.8 | ||
| 441 | Q | 81.1 | Confident | 91.4 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -91.6 | 127.8 | -177.7 | -72.5 | -176.8 | -27.4 | 0 | 0 | 111.1 | N404 G443 T479 T481 R484 | N404-Q441 PolarHBondContact ND2-O 2.78Å; Q441-G443 PolarHBondContact O-N 2.83Å; Q441-T479 HydrophobicContact CB-CG2 3.99Å; Q441-T479 PolarHBondContact OE1-OG1 2.88Å; Q441-T481 PolarHBondContact NE2-OG1 3.33Å; Q441-T481 PolarHBondContact OE1-OG1 3.21Å; Q441-R484 VanDerWaalsContact OE1-NE 3.09Å |
| 442 | T | 87.6 | Confident | 91.4 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -55.3 | 122.7 | 169.3 | -49.5 | 0 | 0 | 0 | 0 | 110.7 | H397 | H397-T442 HydrophobicContact CB-CG2 3.92Š|
| 443 | G | 92.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 148.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N404 Q441 L478 | N404-G443 PolarHBondContact OD1-N 2.81Å; Q441-G443 PolarHBondContact O-N 2.83Å; G443-L478 CarbonylContact C-O 3.57Å; G443-L478 WeakPolarHBondContact CA-O 3.49Å |
| 444 | L | 94.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -107.7 | -39.3 | 179 | -54.2 | -178.2 | 0 | 0 | 0 | 111.7 | V50 L478 P480 | V50-L444 HydrophobicContact CG1-CD1 4.1Å; V50-L444 HydrophobicContact CG2-CD1 4.07Å; L444-L478 HydrophobicContact CB-CD2 4.41Å; L444-L478 HydrophobicContact CB-CG 4.42Å; L444-L478 PolarHBondContact N-O 3.02Å; L444-P480 HydrophobicContact CD1-CG 4.09Å; L444-P480 HydrophobicContact CD2-CG 4.24Å; L444-P480 HydrophobicContact CG-CG 4.36Å |
| 445 | A | 95.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | I41 I373 L478 | I41-A445 HydrophobicContact CD1-CB 4Å; I41-A445 HydrophobicContact CG1-CB 3.85Å; I373-A445 VanDerWaalsContact CG2-C 3.49Å; I373-A445 VanDerWaalsContact CG2-CA 3.48Å; A445-L478 HydrophobicContact CB-CB 4.32Å; A445-L478 HydrophobicContact CB-CD2 4.27Å; A445-L478 PolarHBondContact O-N 3.06Å |
| 446 | L | 96 | Very high | 90.8 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 132.7 | 177.6 | -179.9 | 147 | 0 | 0 | 0 | 109.9 | I373 V393 L406 L437 L448 S476 L477 | I373-L446 HydrophobicContact CG2-CB 4.01Å; V393-L446 HydrophobicContact CG1-CD2 4.08Å; L406-L446 HydrophobicContact CD1-CD1 4.34Å; L406-L446 HydrophobicContact CD1-CD2 4.38Å; L406-L446 HydrophobicContact CD2-CD1 4.39Å; L437-L446 HydrophobicContact CD1-CD1 3.63Å; L446-L448 HydrophobicContact CD2-CB 4.26Å; L446-S476 WeakPolarHBondContact CA-O 3.28Å; L446-L477 HydrophobicContact CB-CD1 4.03Å; L446-L477 HydrophobicContact CD1-CD1 4.16Å |
| 447 | D | 94.6 | Very high | 90.2 | Very high | 41 Ų | 41 | 43 Ų | 43 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.6 | 167.6 | 174 | 39.1 | 0 | 0 | 0 | 109.7 | I41 C475 S476 | I41-D447 HydrophobicContact CD1-CB 3.75Å; I41-D447 HydrophobicContact CG2-CB 4.46Å; D447-C475 CarbonylContact O-C 3.36Å; D447-C475 VanDerWaalsContact O-CA 3.28Å; D447-C475 WeakPolarHBondContact O-CA 3.48Å; D447-C475 WeakPolarHBondContact O-CB 3.32Å; D447-S476 PolarHBondContact N-O 2.9Å; D447-S476 PolarHBondContact O-N 3.42Å |
| 448 | L | 95 | Very high | 89.6 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.1 | 173.8 | 178.8 | 69.7 | 0 | 0 | 0 | 107.5 | A378 V393 L408 L446 S450 I453 F473 C475 | A378-L448 HydrophobicContact CB-CD2 3.96Å; V393-L448 HydrophobicContact CB-CD2 4.49Å; V393-L448 HydrophobicContact CG1-CB 4.23Å; V393-L448 HydrophobicContact CG1-CD2 4.08Å; V393-L448 HydrophobicContact CG2-CD2 3.53Å; L408-L448 HydrophobicContact CD2-CD2 3.8Å; L446-L448 HydrophobicContact CD2-CB 4.26Å; L448-S450 PolarHBondContact O-N 2.85Å; L448-I453 HydrophobicContact CD2-CD1 3.89Å; L448-I453 HydrophobicContact CG-CD1 4.15Å; L448-F473 HydrophobicContact CD1-CB 4.09Å; L448-F473 HydrophobicContact CD1-CD2 3.35Å; L448-F473 HydrophobicContact CD1-CE2 3.96Å; L448-F473 HydrophobicContact CD1-CG 3.88Å; L448-C475 HydrophobicContact CD1-CB 3.84Å |
| 449 | R | 89.5 | Confident | 88.9 | Confident | 101 Ų | 101 | 45.1 Ų | 45.1 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | trans | -71.6 | 99 | -171.2 | -67.2 | -178.8 | 66.2 | -140.2 | -1.2 | 109.8 | T451 T452 D474 | R449-T451 PolarHBondContact O-N 3.31Å; R449-T452 HydrophobicContact CB-CG2 3.77Å; R449-T452 WeakPolarHBondContact O-CB 3.35Å; R449-T452 PolarHBondContact O-N 2.91Å; R449-T452 PolarHBondContact O-OG1 2.82Å; R449-D474 PolarHBondContact N-O 3.21Å; R449-D474 IonicContact NH1-OD2 2.77Å; R449-D474 PolarHBondContact NH1-OD2 2.81Å | ||
| 450 | S | 90.3 | Very high | 88.8 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -55.8 | -28.7 | -174.1 | -68.9 | 0 | 0 | 0 | 0 | 113.7 | A378 S379 F383 L448 T452 | A378-S450 WeakPolarHBondContact CB-OG 3.41Å; S379-S450 PolarHBondContact N-OG 3.01Å; F383-S450 WeakPolarHBondContact CE1-O 3.42Å; L448-S450 PolarHBondContact O-N 2.85Å; S450-T452 PolarHBondContact O-N 3.45Å |
| 451 | T | 90.7 | Very high | 89 | Confident | 95 Ų | 95 | 44.5 Ų | 44.5 | 58% | 0.583 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -73.3 | -5.2 | 175.7 | 58.6 | 0 | 0 | 0 | 0 | 115 | R449 | R449-T451 PolarHBondContact O-N 3.31Š|
| 452 | T | 93.7 | Very high | 89.2 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -109 | -5.3 | -179.3 | 68.7 | 0 | 0 | 0 | 0 | 112.8 | R449 S450 L454 T472 D474 | R449-T452 HydrophobicContact CB-CG2 3.77Å; R449-T452 WeakPolarHBondContact O-CB 3.35Å; R449-T452 PolarHBondContact O-N 2.91Å; R449-T452 PolarHBondContact O-OG1 2.82Å; S450-T452 PolarHBondContact O-N 3.45Å; T452-L454 PolarHBondContact O-N 2.86Å; T452-T472 VanDerWaalsContact O-O 3.1Å; T452-D474 HydrophobicContact CG2-CB 4.06Å; T452-D474 WeakPolarHBondContact CG2-OD2 3.49Å; T452-D474 PolarHBondContact OG1-N 2.84Å |
| 453 | I | 95 | Very high | 89.3 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | trans | -76.3 | 111.4 | 179.8 | -57.9 | 173.7 | 0 | 0 | 0 | 108.3 | A378 T380 L391 L448 L471 T472 F473 | A378-I453 HydrophobicContact CB-CD1 3.76Å; T380-I453 HydrophobicContact CG2-CB 3.81Å; T380-I453 HydrophobicContact CG2-CG2 4.07Å; L391-I453 HydrophobicContact CD1-CD1 4.09Å; L391-I453 HydrophobicContact CD1-CG2 4.28Å; L448-I453 HydrophobicContact CD2-CD1 3.89Å; L448-I453 HydrophobicContact CG-CD1 4.15Å; I453-L471 HydrophobicContact CG2-CD1 4.23Å; I453-L471 HydrophobicContact CG2-CD2 3.88Å; I453-T472 WeakPolarHBondContact CA-O 3.5Å; I453-F473 HydrophobicContact CG1-CB 4.12Å | ||
| 454 | L | 92.2 | Very high | 89.2 | Confident | 70 Ų | 70 | 48 Ų | 48 | 37% | 0.366 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -127.1 | 134.9 | -178.5 | -64.2 | 174.7 | 0 | 0 | 0 | 110.6 | F383 T452 L471 T472 | F383-L454 HydrophobicContact CE2-CD2 4.47Å; T452-L454 PolarHBondContact O-N 2.86Å; L454-L471 WeakPolarHBondContact O-CA 3.29Å; L454-T472 PolarHBondContact N-O 3.21Å; L454-T472 PolarHBondContact O-N 2.95Å |
| 455 | H | 90.5 | Very high | 89.1 | Confident | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | trans | -74.7 | 154.4 | 167 | -77.5 | -64.6 | 0 | 0 | 0 | 111.1 | T389 V457 F466 L471 | T389-H455 PolarHBondContact OG1-CD2 2.9Å; T389-H455 PolarHBondContact OG1-NE2 2.86Å; H455-V457 PolarHBondContact O-N 3.03Å; H455-F466 HydrophobicContact CB-CD1 4.49Å; H455-F466 AromaticContact CD2-CD1 3.99Å; H455-F466 AromaticContact CE1-CD1 3.99Å; H455-F466 PolarHBondContact CE1-O 3.05Å; H455-F466 AromaticContact CG-CD1 3.88Å; H455-F466 WeakPolarHBondContact ND1-CA 3.37Å; H455-F466 AromaticContact ND1-CD1 3.9Å; H455-L471 VanDerWaalsContact CE1-CD2 3.47Å; H455-L471 WeakPolarHBondContact CE1-CD2 3.33Å; H455-L471 WeakPolarHBondContact ND1-CD2 3.37Å | ||
| 456 | F | 90.5 | Very high | 89 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | trans | -63.5 | 122.7 | 171.3 | 179.6 | -111.8 | 0 | 0 | 0 | 110.6 | H465 Q492 H493 L496 L522 H551 | F456-H465 HydrophobicContact CB-CB 4.38Å; F456-H465 HydrophobicContact CD1-CB 4.23Å; F456-H465 AromaticContact CD1-CD2 3.69Å; F456-H465 AromaticContact CD1-CE1 3.85Å; F456-H465 AromaticContact CD1-CG 3.69Å; F456-H465 AromaticContact CD1-ND1 3.81Å; F456-H465 AromaticContact CD1-NE2 3.8Å; F456-H465 AromaticContact CE1-CE1 3.85Å; F456-H465 AromaticContact CE1-NE2 3.86Å; F456-Q492 HydrophobicContact CB-CB 4.46Å; F456-Q492 HydrophobicContact CB-CG 4.47Å; F456-Q492 HydrophobicContact CD1-CB 3.96Å; F456-Q492 HydrophobicContact CD1-CG 3.74Å; F456-Q492 HydrophobicContact CD2-CB 3.52Å; F456-Q492 HydrophobicContact CD2-CG 4.21Å; F456-Q492 HydrophobicContact CE1-CB 4.01Å; F456-Q492 HydrophobicContact CE1-CG 3.93Å; F456-Q492 HydrophobicContact CE2-CB 3.6Å; F456-Q492 HydrophobicContact CE2-CG 4.41Å; F456-Q492 HydrophobicContact CG-CB 3.7Å; F456-Q492 HydrophobicContact CG-CG 3.87Å; F456-Q492 HydrophobicContact CZ-CB 3.84Å; F456-Q492 HydrophobicContact CZ-CG 4.27Å; F456-H493 AromaticContact CD2-CD2 3.67Å; F456-H493 AromaticContact CD2-NE2 3.62Å; F456-L496 HydrophobicContact CE2-CD1 3.74Å; F456-L496 HydrophobicContact CZ-CD1 3.89Å; F456-L522 HydrophobicContact CE1-CD2 3.55Å; F456-L522 HydrophobicContact CE2-CD2 4.42Å; F456-L522 HydrophobicContact CZ-CD2 3.39Å; F456-H551 AromaticContact CZ-CE1 3.65Å | ||
| 457 | V | 83.4 | Confident | 88.8 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 56% | 0.558 | 25% | 0.245 | S | C | * | . | trans | -97.7 | 113.1 | -178.4 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | H455 M1366 | H455-V457 PolarHBondContact O-N 3.03Å; V457-M1366 HydrophobicContact CG2-CE 3.39Å | ||
| 458 | S | 82.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 13% | 0.126 | 24% | 0.235 | C | C | . | . | trans | -124.7 | 159.9 | 178.2 | 55.9 | 0 | 0 | 0 | 0 | 110.7 | Q460 H465 | S458-Q460 WeakPolarHBondContact CB-O 3.45Å; S458-Q460 PolarHBondContact OG-O 2.9Å; S458-H465 PolarHBondContact OG-CE1 2.76Å; S458-H465 VanDerWaalsContact OG-CE1 3.26Å; S458-H465 PolarHBondContact OG-ND1 3.08Å | ||
| 459 | L | 76.2 | Confident | 88.8 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -76.1 | -44.1 | 170.7 | -176.7 | 67.1 | 0 | 0 | 0 | 111 | R461 Q525 E621 V624 | L459-R461 PolarHBondContact O-N 3.02Å; L459-Q525 HydrophobicContact CD2-CG 4.1Å; L459-E621 HydrophobicContact CD1-CB 4.05Å; L459-E621 HydrophobicContact CD1-CG 4.16Å; L459-E621 HydrophobicContact CD2-CG 4.2Å; L459-V624 HydrophobicContact CD2-CG1 4.18Å |
| 460 | Q | 79.1 | Confident | 89 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 29% | 0.285 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -88.3 | 95.4 | 165.9 | -69.6 | -173.9 | -11.6 | 0 | 0 | 109.4 | S458 Y462 H465 L523 Q525 | S458-Q460 WeakPolarHBondContact CB-O 3.45Å; S458-Q460 PolarHBondContact OG-O 2.9Å; Q460-Y462 HydrophobicContact CB-CD2 4.26Å; Q460-Y462 HydrophobicContact CB-CE2 3.79Å; Q460-Y462 VanDerWaalsContact O-CD2 3.31Å; Q460-Y462 WeakPolarHBondContact O-CD2 3.46Å; Q460-Y462 PolarHBondContact O-N 2.98Å; Q460-Y462 PolarHBondContact OE1-OH 3.1Å; Q460-Y462 VanDerWaalsContact OE1-OH 3.12Å; Q460-H465 PolarHBondContact O-CE1 3.24Å; Q460-L523 PolarHBondContact OE1-O 2.91Å; Q460-Q525 PolarHBondContact NE2-O 3.4Å |
| 461 | R | 78 | Confident | 89.2 | Confident | 122 Ų | 122 | 42 Ų | 42 | 46% | 0.46 | 21% | 0.21 | S | C | . | . | trans | -72.9 | 105.5 | 176 | -68.8 | -179.2 | 175.3 | -161 | -1.8 | 110.1 | L459 F466 | L459-R461 PolarHBondContact O-N 3.02Å; R461-F466 HydrophobicContact CB-CE2 4.32Å | ||
| 462 | Y | 87.2 | Confident | 89.5 | Confident | 58 Ų | 58 | 38.8 Ų | 38.8 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | trans | -89.8 | 157.5 | 170.8 | -73.7 | -84.9 | 0 | 0 | 0 | 110.8 | Q460 E464 H465 F466 R521 | Q460-Y462 HydrophobicContact CB-CD2 4.26Å; Q460-Y462 HydrophobicContact CB-CE2 3.79Å; Q460-Y462 VanDerWaalsContact O-CD2 3.31Å; Q460-Y462 WeakPolarHBondContact O-CD2 3.46Å; Q460-Y462 PolarHBondContact O-N 2.98Å; Q460-Y462 PolarHBondContact OE1-OH 3.1Å; Q460-Y462 VanDerWaalsContact OE1-OH 3.12Å; Y462-E464 VanDerWaalsContact C-N 3.28Å; Y462-E464 PolarHBondContact O-N 3.18Å; Y462-H465 AromaticContact CD2-CE1 3.65Å; Y462-H465 PolarHBondContact N-ND1 2.81Å; Y462-H465 WeakPolarHBondContact O-CB 3.37Å; Y462-H465 PolarHBondContact O-N 3.08Å; Y462-H465 VanDerWaalsContact O-N 3.16Å; Y462-F466 WeakPolarHBondContact O-CD2 3.29Å; Y462-R521 HydrophobicContact CD1-CB 4.25Å; Y462-R521 HydrophobicContact CD1-CG 4.17Å; Y462-R521 HydrophobicContact CD2-CB 3.75Å; Y462-R521 HydrophobicContact CE2-CB 4.38Å; Y462-R521 HydrophobicContact CG-CB 3.66Å; Y462-R521 HydrophobicContact CG-CG 4Å | ||
| 463 | D | 89 | Confident | 89.6 | Confident | 83 Ų | 83 | 38 Ų | 38 | 44% | 0.444 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -63.7 | -38.4 | -179.1 | -84.9 | -6.2 | 0 | 0 | 0 | 111.6 | K416 H465 F466 Y467 | K416-D463 WeakPolarHBondContact CE-OD2 3.43Å; K416-D463 IonicContact NZ-OD1 3.8Å; K416-D463 PolarHBondContact NZ-OD1 2.88Å; K416-D463 IonicContact NZ-OD2 2.66Å; K416-D463 PolarHBondContact NZ-OD2 3.05Å; K416-D463 VanDerWaalsContact NZ-OD2 3.13Å; D463-H465 PolarHBondContact O-N 3.23Å; D463-F466 PolarHBondContact O-N 3.32Å; D463-Y467 HydrophobicContact CB-CE1 4.4Å; D463-Y467 VanDerWaalsContact O-CD1 3.29Å; D463-Y467 WeakPolarHBondContact O-CD1 3.46Å; D463-Y467 WeakPolarHBondContact O-CE1 3.27Å |
| 464 | E | 90.5 | Very high | 89.6 | Confident | 44 Ų | 44 | 39 Ų | 39 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -61 | -21.8 | 177.3 | -60.1 | 90.6 | 149.3 | 0 | 0 | 113 | Y462 F466 Y467 S470 R521 | Y462-E464 VanDerWaalsContact C-N 3.28Å; Y462-E464 PolarHBondContact O-N 3.18Å; E464-F466 PolarHBondContact O-N 2.95Å; E464-Y467 HydrophobicContact CB-CD2 4.25Å; E464-Y467 HydrophobicContact CB-CE2 4.05Å; E464-Y467 HydrophobicContact CG-CD2 4.36Å; E464-Y467 HydrophobicContact CG-CE2 3.71Å; E464-Y467 PolarHBondContact O-N 2.99Å; E464-S470 WeakPolarHBondContact O-CB 3.43Å; E464-S470 PolarHBondContact O-OG 2.79Å; E464-R521 HydrophobicContact CB-CG 4.08Å; E464-R521 HydrophobicContact CG-CG 4.09Å; E464-R521 IonicContact OE1-CZ 3.25Å; E464-R521 IonicContact OE1-NE 3.27Å; E464-R521 PolarHBondContact OE1-NE 3.14Å; E464-R521 IonicContact OE1-NH2 2.99Å; E464-R521 PolarHBondContact OE1-NH2 2.98Å; E464-R521 IonicContact OE2-NE 2.69Å |
| 465 | H | 92.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -70.3 | -16.3 | 176.1 | -61 | 170.2 | 0 | 0 | 0 | 113.2 | F456 S458 Q460 Y462 D463 S470 R521 | F456-H465 HydrophobicContact CB-CB 4.38Å; F456-H465 HydrophobicContact CD1-CB 4.23Å; F456-H465 AromaticContact CD1-CD2 3.69Å; F456-H465 AromaticContact CD1-CE1 3.85Å; F456-H465 AromaticContact CD1-CG 3.69Å; F456-H465 AromaticContact CD1-ND1 3.81Å; F456-H465 AromaticContact CD1-NE2 3.8Å; F456-H465 AromaticContact CE1-CE1 3.85Å; F456-H465 AromaticContact CE1-NE2 3.86Å; S458-H465 PolarHBondContact OG-CE1 2.76Å; S458-H465 VanDerWaalsContact OG-CE1 3.26Å; S458-H465 PolarHBondContact OG-ND1 3.08Å; Q460-H465 PolarHBondContact O-CE1 3.24Å; Y462-H465 AromaticContact CD2-CE1 3.65Å; Y462-H465 PolarHBondContact N-ND1 2.81Å; Y462-H465 WeakPolarHBondContact O-CB 3.37Å; Y462-H465 PolarHBondContact O-N 3.08Å; Y462-H465 VanDerWaalsContact O-N 3.16Å; D463-H465 PolarHBondContact O-N 3.23Å; H465-S470 VanDerWaalsContact O-CB 3.31Å; H465-S470 WeakPolarHBondContact O-CB 3.35Å; H465-R521 PolarHBondContact CE1-O 3.19Å; H465-R521 PolarHBondContact NE2-O 3.35Å |
| 466 | F | 91.8 | Very high | 90 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 25% | 0.254 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -102 | 0.9 | 179.3 | -60.6 | -87.3 | 0 | 0 | 0 | 114.3 | Q413 H455 R461 Y462 D463 E464 | Q413-F466 PolarHBondContact NE2-O 2.59Å; Q413-F466 VanDerWaalsContact NE2-O 3.1Å; H455-F466 HydrophobicContact CB-CD1 4.49Å; H455-F466 AromaticContact CD2-CD1 3.99Å; H455-F466 AromaticContact CE1-CD1 3.99Å; H455-F466 PolarHBondContact CE1-O 3.05Å; H455-F466 AromaticContact CG-CD1 3.88Å; H455-F466 WeakPolarHBondContact ND1-CA 3.37Å; H455-F466 AromaticContact ND1-CD1 3.9Å; R461-F466 HydrophobicContact CB-CE2 4.32Å; Y462-F466 WeakPolarHBondContact O-CD2 3.29Å; D463-F466 PolarHBondContact O-N 3.32Å; E464-F466 PolarHBondContact O-N 2.95Å |
| 467 | Y | 93.4 | Very high | 90.3 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 13% | 0.129 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -74.6 | 153.1 | 179.4 | -63.3 | -1.7 | 0 | 0 | 0 | 110.7 | Q413 N430 D463 E464 N469 S470 | Q413-Y467 HydrophobicContact CG-CD1 4.34Å; N430-Y467 HydrophobicContact CB-CD1 3.93Å; N430-Y467 HydrophobicContact CB-CD2 3.92Å; N430-Y467 HydrophobicContact CB-CE1 3.69Å; N430-Y467 HydrophobicContact CB-CE2 3.66Å; N430-Y467 HydrophobicContact CB-CG 4.07Å; N430-Y467 VanDerWaalsContact CG-CE2 3.49Å; N430-Y467 VanDerWaalsContact CG-CZ 3.45Å; N430-Y467 WeakPolarHBondContact OD1-CE2 3.43Å; D463-Y467 HydrophobicContact CB-CE1 4.4Å; D463-Y467 VanDerWaalsContact O-CD1 3.29Å; D463-Y467 WeakPolarHBondContact O-CD1 3.46Å; D463-Y467 WeakPolarHBondContact O-CE1 3.27Å; E464-Y467 HydrophobicContact CB-CD2 4.25Å; E464-Y467 HydrophobicContact CB-CE2 4.05Å; E464-Y467 HydrophobicContact CG-CD2 4.36Å; E464-Y467 HydrophobicContact CG-CE2 3.71Å; E464-Y467 PolarHBondContact O-N 2.99Å; Y467-N469 WeakPolarHBondContact CB-OD1 3.42Å; Y467-N469 PolarHBondContact O-N 2.77Å; Y467-S470 WeakPolarHBondContact O-CA 3.47Å; Y467-S470 VanDerWaalsContact O-CB 3.32Å; Y467-S470 WeakPolarHBondContact O-CB 3.48Å; Y467-S470 PolarHBondContact O-N 3.29Å |
| 468 | P | 94.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -60.1 | -25 | -174.2 | -27.4 | 36.1 | 0 | 0 | 0 | 115.2 | L408 D410 N430 Y435 S470 L471 | L408-P468 HydrophobicContact CB-CB 4.26Å; D410-P468 HydrophobicContact CB-CG 3.91Å; N430-P468 WeakPolarHBondContact O-CD 3.35Å; Y435-P468 PolarHBondContact OH-O 2.95Å; P468-S470 VanDerWaalsContact C-N 3.29Å; P468-L471 HydrophobicContact CB-CD1 4.42Å; P468-L471 WeakPolarHBondContact O-CB 3.47Å; P468-L471 PolarHBondContact O-N 2.83Å |
| 469 | N | 93.8 | Very high | 91.5 | Very high | 34 Ų | 34 | 29.1 Ų | 29.1 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -72.3 | -20.5 | 174.1 | 61 | -16.3 | 0 | 0 | 0 | 113.5 | H4 Y435 Y467 G490 V491 | H4-N469 WeakPolarHBondContact NE2-CB 3.18Å; Y435-N469 WeakPolarHBondContact OH-CA 3.19Å; Y467-N469 WeakPolarHBondContact CB-OD1 3.42Å; Y467-N469 PolarHBondContact O-N 2.77Å; N469-G490 WeakPolarHBondContact O-CA 3.44Å; N469-V491 HydrophobicContact CB-CG1 4.05Å; N469-V491 WeakPolarHBondContact O-CG1 3.45Å; N469-V491 PolarHBondContact O-N 2.89Å |
| 470 | S | 94.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -86.3 | -7.5 | 175.8 | -56 | 0 | 0 | 0 | 0 | 112.9 | E464 H465 Y467 P468 Q492 | E464-S470 WeakPolarHBondContact O-CB 3.43Å; E464-S470 PolarHBondContact O-OG 2.79Å; H465-S470 VanDerWaalsContact O-CB 3.31Å; H465-S470 WeakPolarHBondContact O-CB 3.35Å; Y467-S470 WeakPolarHBondContact O-CA 3.47Å; Y467-S470 VanDerWaalsContact O-CB 3.32Å; Y467-S470 WeakPolarHBondContact O-CB 3.48Å; Y467-S470 PolarHBondContact O-N 3.29Å; P468-S470 VanDerWaalsContact C-N 3.29Å; S470-Q492 PolarHBondContact OG-NE2 3.13Å; S470-Q492 PolarHBondContact OG-OE1 3.48Å |
| 471 | L | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -72.9 | 131.5 | 175.4 | -67.8 | 173.9 | 0 | 0 | 0 | 111.8 | L391 L408 I453 L454 H455 P468 F473 G490 | L391-L471 HydrophobicContact CD1-CD1 3.72Å; L391-L471 HydrophobicContact CD2-CD1 4.21Å; L408-L471 HydrophobicContact CD1-CD1 4.44Å; I453-L471 HydrophobicContact CG2-CD1 4.23Å; I453-L471 HydrophobicContact CG2-CD2 3.88Å; L454-L471 WeakPolarHBondContact O-CA 3.29Å; H455-L471 VanDerWaalsContact CE1-CD2 3.47Å; H455-L471 WeakPolarHBondContact CE1-CD2 3.33Å; H455-L471 WeakPolarHBondContact ND1-CD2 3.37Å; P468-L471 HydrophobicContact CB-CD1 4.42Å; P468-L471 WeakPolarHBondContact O-CB 3.47Å; P468-L471 PolarHBondContact O-N 2.83Å; L471-F473 HydrophobicContact CB-CD1 4.19Å; L471-G490 WeakPolarHBondContact O-CA 3.38Å; L471-G490 PolarHBondContact O-N 3.45Å | ||
| 472 | T | 95.9 | Very high | 93.3 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -91.3 | 136.4 | 161.1 | -64.1 | 0 | 0 | 0 | 0 | 108.9 | T452 I453 L454 Q488 G490 H493 | T452-T472 VanDerWaalsContact O-O 3.1Å; I453-T472 WeakPolarHBondContact CA-O 3.5Å; L454-T472 PolarHBondContact N-O 3.21Å; L454-T472 PolarHBondContact O-N 2.95Å; T472-Q488 CarbonylContact C-O 3.46Å; T472-Q488 WeakPolarHBondContact CA-O 3.36Å; T472-Q488 WeakPolarHBondContact CG2-O 3.38Å; T472-G490 PolarHBondContact OG1-N 2.95Å; T472-H493 PolarHBondContact OG1-CD2 3.08Å |
| 473 | F | 96.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 20 Ų | 20 | 2% | 0.022 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 154.5 | 178.6 | 60.6 | -94.9 | 0 | 0 | 0 | 114.2 | L406 L408 Y435 L448 I453 L471 C475 Q488 | L406-F473 HydrophobicContact CD2-CE2 4.07Å; L406-F473 HydrophobicContact CD2-CZ 4.26Å; L408-F473 HydrophobicContact CD1-CD1 4.01Å; L408-F473 HydrophobicContact CD1-CE1 3.48Å; L408-F473 VanDerWaalsContact CD1-CE1 3.48Å; L408-F473 HydrophobicContact CD1-CZ 3.82Å; Y435-F473 HydrophobicContact CD1-CZ 4.15Å; Y435-F473 HydrophobicContact CD2-CZ 4.33Å; Y435-F473 HydrophobicContact CE1-CE1 4.05Å; Y435-F473 AromaticContact CE1-CZ 3.97Å; Y435-F473 HydrophobicContact CE1-CZ 3.97Å; Y435-F473 HydrophobicContact CE2-CE1 4.23Å; Y435-F473 HydrophobicContact CE2-CZ 4.15Å; Y435-F473 HydrophobicContact CG-CZ 4.34Å; Y435-F473 AromaticContact CZ-CE1 3.8Å; Y435-F473 AromaticContact CZ-CZ 3.96Å; L448-F473 HydrophobicContact CD1-CB 4.09Å; L448-F473 HydrophobicContact CD1-CD2 3.35Å; L448-F473 HydrophobicContact CD1-CE2 3.96Å; L448-F473 HydrophobicContact CD1-CG 3.88Å; I453-F473 HydrophobicContact CG1-CB 4.12Å; L471-F473 HydrophobicContact CB-CD1 4.19Å; F473-C475 HydrophobicContact CD2-CB 4.42Å; F473-C475 HydrophobicContact CE2-CB 4.49Å; F473-Q488 HydrophobicContact CD1-CB 4.13Å; F473-Q488 HydrophobicContact CD1-CG 4.19Å; F473-Q488 HydrophobicContact CD2-CB 4.07Å; F473-Q488 HydrophobicContact CE1-CB 3.83Å; F473-Q488 HydrophobicContact CE1-CG 3.61Å; F473-Q488 HydrophobicContact CE2-CB 3.77Å; F473-Q488 HydrophobicContact CE2-CG 4.35Å; F473-Q488 HydrophobicContact CG-CB 4.25Å; F473-Q488 HydrophobicContact CZ-CB 3.65Å; F473-Q488 HydrophobicContact CZ-CG 3.71Å; F473-Q488 PolarHBondContact N-O 3.34Å; F473-Q488 PolarHBondContact O-N 3.28Å |
| 474 | D | 95.8 | Very high | 94 | Very high | 25 Ų | 25 | 19.1 Ų | 19.1 | 13% | 0.134 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.6 | 166.3 | -69.4 | -56.8 | 0 | 0 | 0 | 111.1 | R12 R449 T452 Y485 | R12-D474 IonicContact NH1-OD1 3.69Å; R449-D474 PolarHBondContact N-O 3.21Å; R449-D474 IonicContact NH1-OD2 2.77Å; R449-D474 PolarHBondContact NH1-OD2 2.81Å; T452-D474 HydrophobicContact CG2-CB 4.06Å; T452-D474 WeakPolarHBondContact CG2-OD2 3.49Å; T452-D474 PolarHBondContact OG1-N 2.84Å; D474-Y485 HydrophobicContact CB-CE1 4.48Å; D474-Y485 VanDerWaalsContact OD1-CE1 3.3Å; D474-Y485 WeakPolarHBondContact OD1-CE1 3.44Å; D474-Y485 VanDerWaalsContact OD1-CZ 3.29Å; D474-Y485 PolarHBondContact OD1-OH 3.46Å; D474-Y485 PolarHBondContact OD2-OH 3.04Å |
| 475 | C | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 158.9 | 167.5 | 83.9 | 0 | 0 | 0 | 0 | 112.8 | D447 L448 F473 Y486 | D447-C475 CarbonylContact O-C 3.36Å; D447-C475 VanDerWaalsContact O-CA 3.28Å; D447-C475 WeakPolarHBondContact O-CA 3.48Å; D447-C475 WeakPolarHBondContact O-CB 3.32Å; L448-C475 HydrophobicContact CD1-CB 3.84Å; F473-C475 HydrophobicContact CD2-CB 4.42Å; F473-C475 HydrophobicContact CE2-CB 4.49Å; C475-Y486 PolarHBondContact N-O 2.91Å; C475-Y486 PolarHBondContact O-N 2.78Å |
| 476 | S | 95.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 119.4 | -175.7 | -73.8 | 0 | 0 | 0 | 0 | 110.4 | L446 D447 K483 R484 | L446-S476 WeakPolarHBondContact CA-O 3.28Å; D447-S476 PolarHBondContact N-O 2.9Å; D447-S476 PolarHBondContact O-N 3.42Å; S476-K483 VanDerWaalsContact CB-CE 3.49Å; S476-K483 WeakPolarHBondContact OG-CE 3.46Å; S476-R484 WeakPolarHBondContact CA-O 2.95Å |
| 477 | L | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.1 | -179.2 | -172.2 | 75.8 | 0 | 0 | 0 | 109.7 | I373 N404 L437 L446 T479 K483 R484 Y486 | I373-L477 HydrophobicContact CD1-CD1 4.26Å; I373-L477 HydrophobicContact CG2-CD1 4.18Å; N404-L477 HydrophobicContact CB-CD2 4.11Å; L437-L477 HydrophobicContact CD1-CD1 4.42Å; L437-L477 HydrophobicContact CD1-CD2 4.46Å; L446-L477 HydrophobicContact CB-CD1 4.03Å; L446-L477 HydrophobicContact CD1-CD1 4.16Å; L477-T479 HydrophobicContact CD2-CG2 4.41Å; L477-K483 WeakPolarHBondContact O-CA 3.47Å; L477-R484 HydrophobicContact CB-CB 4.26Å; L477-R484 PolarHBondContact N-O 3.44Å; L477-R484 PolarHBondContact O-N 3.39Å; L477-Y486 HydrophobicContact CB-CD2 4.41Å; L477-Y486 HydrophobicContact CB-CE2 3.89Å; L477-Y486 HydrophobicContact CD2-CE2 4.34Å |
| 478 | L | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.3 | 171 | -177.6 | 68 | 0 | 0 | 0 | 109.3 | F16 G40 I41 V50 G443 L444 A445 | F16-L478 HydrophobicContact CE2-CD1 3.68Å; F16-L478 HydrophobicContact CZ-CD1 3.58Å; G40-L478 WeakPolarHBondContact O-CD2 3.48Å; I41-L478 HydrophobicContact CD1-CB 4.27Å; I41-L478 HydrophobicContact CG1-CB 4.21Å; I41-L478 HydrophobicContact CG1-CD2 4.21Å; V50-L478 HydrophobicContact CG2-CD1 4.43Å; G443-L478 CarbonylContact C-O 3.57Å; G443-L478 WeakPolarHBondContact CA-O 3.49Å; L444-L478 HydrophobicContact CB-CD2 4.41Å; L444-L478 HydrophobicContact CB-CG 4.42Å; L444-L478 PolarHBondContact N-O 3.02Å; A445-L478 HydrophobicContact CB-CB 4.32Å; A445-L478 HydrophobicContact CB-CD2 4.27Å; A445-L478 PolarHBondContact O-N 3.06Å |
| 479 | T | 93.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 168.4 | 172 | 79.1 | 0 | 0 | 0 | 0 | 109.4 | Q441 L477 T481 G482 R484 | Q441-T479 HydrophobicContact CB-CG2 3.99Å; Q441-T479 PolarHBondContact OE1-OG1 2.88Å; L477-T479 HydrophobicContact CD2-CG2 4.41Å; T479-T481 PolarHBondContact O-N 3.47Å; T479-T481 PolarHBondContact OG1-N 2.84Å; T479-G482 PolarHBondContact N-O 3.35Å; T479-G482 PolarHBondContact O-N 2.76Å; T479-G482 VanDerWaalsContact O-O 3.07Å; T479-R484 HydrophobicContact CG2-CG 3.7Å |
| 480 | P | 89.2 | Confident | 94.5 | Very high | 16 Ų | 16 | 17.1 Ų | 17.1 | 10% | 0.104 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25.8 | 178.5 | -27.2 | 35.4 | 0 | 0 | 0 | 114.5 | V21 Y37 L444 | V21-P480 WeakPolarHBondContact CG1-O 3.35Å; Y37-P480 HydrophobicContact CD1-CB 3.79Å; Y37-P480 HydrophobicContact CD1-CG 4.07Å; Y37-P480 HydrophobicContact CD2-CB 3.97Å; Y37-P480 HydrophobicContact CD2-CG 3.61Å; Y37-P480 HydrophobicContact CE1-CB 3.91Å; Y37-P480 HydrophobicContact CE2-CB 4.1Å; Y37-P480 HydrophobicContact CE2-CG 4.15Å; Y37-P480 HydrophobicContact CG-CB 3.82Å; Y37-P480 HydrophobicContact CG-CG 3.56Å; L444-P480 HydrophobicContact CD1-CG 4.09Å; L444-P480 HydrophobicContact CD2-CG 4.24Å; L444-P480 HydrophobicContact CG-CG 4.36Å |
| 481 | T | 89.8 | Confident | 94.5 | Very high | 59 Ų | 59 | 17.8 Ų | 17.8 | 36% | 0.362 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 6.9 | -174.5 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | F16 Q441 T479 | F16-T481 PolarHBondContact N-O 2.76Å; Q441-T481 PolarHBondContact NE2-OG1 3.33Å; Q441-T481 PolarHBondContact OE1-OG1 3.21Å; T479-T481 PolarHBondContact O-N 3.47Å; T479-T481 PolarHBondContact OG1-N 2.84Å |
| 482 | G | 93.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -159 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | I14 F16 T479 | I14-G482 CarbonylContact O-C 3.5Å; I14-G482 VanDerWaalsContact O-CA 3.26Å; I14-G482 WeakPolarHBondContact O-CA 3.45Å; F16-G482 VanDerWaalsContact CD2-CA 3.47Å; F16-G482 VanDerWaalsContact CD2-N 3.29Å; T479-G482 PolarHBondContact N-O 3.35Å; T479-G482 PolarHBondContact O-N 2.76Å; T479-G482 VanDerWaalsContact O-O 3.07Å |
| 483 | K | 94.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 19.2 Ų | 19.2 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 121.9 | 173.1 | 172.8 | -156.6 | -173.6 | -173.5 | 0 | 108.9 | T13 I14 M65 S476 L477 | T13-K483 WeakPolarHBondContact CA-O 3.21Å; I14-K483 HydrophobicContact CB-CB 4.45Å; I14-K483 HydrophobicContact CD1-CD 4.24Å; I14-K483 PolarHBondContact N-O 2.89Å; I14-K483 PolarHBondContact O-N 3.06Å; M65-K483 HydrophobicContact CB-CD 4.09Å; M65-K483 HydrophobicContact CE-CB 4.23Å; M65-K483 HydrophobicContact CE-CD 4.11Å; M65-K483 HydrophobicContact CE-CG 3.79Å; M65-K483 WeakPolarHBondContact O-CD 3.44Å; M65-K483 WeakPolarHBondContact O-CE 3.41Å; M65-K483 PolarHBondContact O-NZ 2.84Å; S476-K483 VanDerWaalsContact CB-CE 3.49Å; S476-K483 WeakPolarHBondContact OG-CE 3.46Å; L477-K483 WeakPolarHBondContact O-CA 3.47Å |
| 484 | R | 95.2 | Very high | 94.2 | Very high | 65 Ų | 65 | 23.6 Ų | 23.6 | 25% | 0.245 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 132.2 | 167.4 | -60.9 | -67.2 | 175.2 | 161.4 | -6.3 | 108.7 | L8 Q441 S476 L477 T479 Y486 | L8-R484 HydrophobicContact CD1-CB 3.58Å; L8-R484 HydrophobicContact CD1-CG 4.11Å; L8-R484 VanDerWaalsContact CD2-NH1 3.26Å; Q441-R484 VanDerWaalsContact OE1-NE 3.09Å; S476-R484 WeakPolarHBondContact CA-O 2.95Å; L477-R484 HydrophobicContact CB-CB 4.26Å; L477-R484 PolarHBondContact N-O 3.44Å; L477-R484 PolarHBondContact O-N 3.39Å; T479-R484 HydrophobicContact CG2-CG 3.7Å; R484-Y486 HydrophobicContact CB-CD2 4.49Å; R484-Y486 HydrophobicContact CB-CE2 3.58Å |
| 485 | Y | 95.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 5% | 0.047 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 136.4 | 178.3 | -168.3 | -75.6 | 0 | 0 | 0 | 110.4 | D9 R12 T13 D474 A487 | D9-Y485 HydrophobicContact CB-CD1 3.84Å; D9-Y485 PolarHBondContact N-O 2.67Å; R12-Y485 HydrophobicContact CB-CD1 3.88Å; R12-Y485 HydrophobicContact CB-CD2 3.74Å; R12-Y485 HydrophobicContact CB-CE1 4.4Å; R12-Y485 HydrophobicContact CB-CE2 4.23Å; R12-Y485 HydrophobicContact CB-CG 3.52Å; R12-Y485 PolarHBondContact NH1-OH 3.07Å; T13-Y485 PolarHBondContact OG1-N 2.87Å; D474-Y485 HydrophobicContact CB-CE1 4.48Å; D474-Y485 VanDerWaalsContact OD1-CE1 3.3Å; D474-Y485 WeakPolarHBondContact OD1-CE1 3.44Å; D474-Y485 VanDerWaalsContact OD1-CZ 3.29Å; D474-Y485 PolarHBondContact OD1-OH 3.46Å; D474-Y485 PolarHBondContact OD2-OH 3.04Å; Y485-A487 HydrophobicContact CE1-CB 4.28Å |
| 486 | Y | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128 | 178.1 | -60.9 | -85.4 | 0 | 0 | 0 | 109.4 | V6 E7 L8 L437 S438 C475 L477 R484 | V6-Y486 HydrophobicContact CB-CD1 4.4Å; V6-Y486 HydrophobicContact CG1-CD1 4.21Å; V6-Y486 HydrophobicContact CG1-CG 4.49Å; V6-Y486 WeakPolarHBondContact O-CD1 3.46Å; E7-Y486 WeakPolarHBondContact O-CD1 3.48Å; L8-Y486 HydrophobicContact CB-CE1 4.06Å; L8-Y486 HydrophobicContact CD1-CD1 4.44Å; L8-Y486 HydrophobicContact CD1-CE1 3.79Å; L8-Y486 HydrophobicContact CD1-CE2 4.17Å; L437-Y486 HydrophobicContact CB-CD1 4.29Å; L437-Y486 HydrophobicContact CB-CD2 4.41Å; L437-Y486 HydrophobicContact CB-CE1 3.89Å; L437-Y486 HydrophobicContact CB-CE2 4.01Å; L437-Y486 HydrophobicContact CD1-CD2 4.33Å; L437-Y486 HydrophobicContact CD1-CE2 4.31Å; L437-Y486 HydrophobicContact CD2-CD1 4.32Å; L437-Y486 HydrophobicContact CD2-CD2 4.36Å; L437-Y486 HydrophobicContact CD2-CG 4.13Å; S438-Y486 WeakPolarHBondContact O-CE1 3.46Å; S438-Y486 PolarHBondContact O-OH 3.41Å; C475-Y486 PolarHBondContact N-O 2.91Å; C475-Y486 PolarHBondContact O-N 2.78Å; L477-Y486 HydrophobicContact CB-CD2 4.41Å; L477-Y486 HydrophobicContact CB-CE2 3.89Å; L477-Y486 HydrophobicContact CD2-CE2 4.34Å; R484-Y486 HydrophobicContact CB-CD2 4.49Å; R484-Y486 HydrophobicContact CB-CE2 3.58Å |
| 487 | A | 94.6 | Very high | 94 | Very high | 52 Ų | 52 | 26 Ų | 26 | 43% | 0.43 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y485 | Y485-A487 HydrophobicContact CE1-CB 4.28Å |
| 488 | Q | 94.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.7 | 176.8 | 175.8 | 60.9 | 33.1 | 0 | 0 | 109.3 | V6 Y435 T472 F473 | V6-Q488 HydrophobicContact CG1-CB 4.15Å; V6-Q488 VanDerWaalsContact CG2-OE1 3.24Å; Y435-Q488 HydrophobicContact CD1-CG 4.27Å; Y435-Q488 HydrophobicContact CE1-CG 3.78Å; T472-Q488 CarbonylContact C-O 3.46Å; T472-Q488 WeakPolarHBondContact CA-O 3.36Å; T472-Q488 WeakPolarHBondContact CG2-O 3.38Å; F473-Q488 HydrophobicContact CD1-CB 4.13Å; F473-Q488 HydrophobicContact CD1-CG 4.19Å; F473-Q488 HydrophobicContact CD2-CB 4.07Å; F473-Q488 HydrophobicContact CE1-CB 3.83Å; F473-Q488 HydrophobicContact CE1-CG 3.61Å; F473-Q488 HydrophobicContact CE2-CB 3.77Å; F473-Q488 HydrophobicContact CE2-CG 4.35Å; F473-Q488 HydrophobicContact CG-CB 4.25Å; F473-Q488 HydrophobicContact CZ-CB 3.65Å; F473-Q488 HydrophobicContact CZ-CG 3.71Å; F473-Q488 PolarHBondContact N-O 3.34Å; F473-Q488 PolarHBondContact O-N 3.28Å |
| 489 | D | 93.3 | Very high | 93.7 | Very high | 58 Ų | 58 | 28.5 Ų | 28.5 | 31% | 0.31 | 15% | 0.153 | S | C | . | . | trans | -79.9 | 132.1 | 163.8 | -85.7 | -21 | 0 | 0 | 0 | 110.2 | H493 R494 N497 | D489-H493 HydrophobicContact CB-CB 3.97Å; D489-R494 HydrophobicContact CB-CB 4.06Å; D489-R494 PolarHBondContact O-NH1 2.82Å; D489-N497 PolarHBondContact OD2-ND2 3.33Å | ||
| 490 | G | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -54 | 153.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | N469 L471 T472 Q492 H493 R494 | N469-G490 WeakPolarHBondContact O-CA 3.44Å; L471-G490 WeakPolarHBondContact O-CA 3.38Å; L471-G490 PolarHBondContact O-N 3.45Å; T472-G490 PolarHBondContact OG1-N 2.95Å; G490-Q492 PolarHBondContact O-N 2.91Å; G490-Q492 VanDerWaalsContact O-N 3.1Å; G490-H493 WeakPolarHBondContact O-CA 3.36Å; G490-H493 WeakPolarHBondContact O-CB 3.37Å; G490-H493 PolarHBondContact O-N 3.41Å; G490-R494 PolarHBondContact O-N 3.23Å | ||
| 491 | V | 94.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.085 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.8 | -37.1 | -173.5 | -72 | 0 | 0 | 0 | 0 | 113.6 | N469 F495 L520 | N469-V491 HydrophobicContact CB-CG1 4.05Å; N469-V491 WeakPolarHBondContact O-CG1 3.45Å; N469-V491 PolarHBondContact O-N 2.89Å; V491-F495 PolarHBondContact O-N 2.93Å; V491-L520 HydrophobicContact CB-CD2 3.86Å; V491-L520 HydrophobicContact CG2-CD2 3.82Å |
| 492 | Q | 94.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -48.3 | 173.6 | -61.8 | 80 | 5.4 | 0 | 0 | 112 | F456 S470 G490 R494 F495 L496 L520 L522 | F456-Q492 HydrophobicContact CB-CB 4.46Å; F456-Q492 HydrophobicContact CB-CG 4.47Å; F456-Q492 HydrophobicContact CD1-CB 3.96Å; F456-Q492 HydrophobicContact CD1-CG 3.74Å; F456-Q492 HydrophobicContact CD2-CB 3.52Å; F456-Q492 HydrophobicContact CD2-CG 4.21Å; F456-Q492 HydrophobicContact CE1-CB 4.01Å; F456-Q492 HydrophobicContact CE1-CG 3.93Å; F456-Q492 HydrophobicContact CE2-CB 3.6Å; F456-Q492 HydrophobicContact CE2-CG 4.41Å; F456-Q492 HydrophobicContact CG-CB 3.7Å; F456-Q492 HydrophobicContact CG-CG 3.87Å; F456-Q492 HydrophobicContact CZ-CB 3.84Å; F456-Q492 HydrophobicContact CZ-CG 4.27Å; S470-Q492 PolarHBondContact OG-NE2 3.13Å; S470-Q492 PolarHBondContact OG-OE1 3.48Å; G490-Q492 PolarHBondContact O-N 2.91Å; G490-Q492 VanDerWaalsContact O-N 3.1Å; Q492-R494 VanDerWaalsContact C-N 3.31Å; Q492-R494 PolarHBondContact O-N 3.43Å; Q492-F495 PolarHBondContact O-N 3.1Å; Q492-L496 WeakPolarHBondContact O-CB 3.31Å; Q492-L496 VanDerWaalsContact O-CG 3.28Å; Q492-L496 WeakPolarHBondContact O-CG 3.33Å; Q492-L496 PolarHBondContact O-N 3.02Å; Q492-L520 HydrophobicContact CG-CB 4.41Å; Q492-L522 HydrophobicContact CB-CD2 4.09Å; Q492-L522 HydrophobicContact CG-CD2 4.03Å; Q492-L522 HydrophobicContact CG-CG 4.41Å |
| 493 | H | 93.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 26% | 0.255 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 178.3 | -84.8 | -75.3 | 0 | 0 | 0 | 111.5 | F456 T472 D489 G490 L496 N497 | F456-H493 AromaticContact CD2-CD2 3.67Å; F456-H493 AromaticContact CD2-NE2 3.62Å; T472-H493 PolarHBondContact OG1-CD2 3.08Å; D489-H493 HydrophobicContact CB-CB 3.97Å; G490-H493 WeakPolarHBondContact O-CA 3.36Å; G490-H493 WeakPolarHBondContact O-CB 3.37Å; G490-H493 PolarHBondContact O-N 3.41Å; H493-L496 PolarHBondContact O-N 3.25Å; H493-N497 VanDerWaalsContact O-CB 3.28Å; H493-N497 WeakPolarHBondContact O-CB 3.24Å; H493-N497 PolarHBondContact O-N 3.36Å; H493-N497 PolarHBondContact O-ND2 2.6Å |
| 494 | R | 93.5 | Very high | 93.4 | Very high | 98 Ų | 98 | 43.4 Ų | 43.4 | 37% | 0.37 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 178.5 | -171 | 165.7 | 66.2 | -104 | 9.9 | 112.4 | D489 G490 Q492 N497 A498 | D489-R494 HydrophobicContact CB-CB 4.06Å; D489-R494 PolarHBondContact O-NH1 2.82Å; G490-R494 PolarHBondContact O-N 3.23Å; Q492-R494 VanDerWaalsContact C-N 3.31Å; Q492-R494 PolarHBondContact O-N 3.43Å; R494-N497 PolarHBondContact O-N 3.22Å; R494-A498 PolarHBondContact O-N 2.8Å; R494-A498 VanDerWaalsContact O-N 3.08Å |
| 495 | F | 95.3 | Very high | 93.1 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 173.4 | 173.4 | -94.4 | 0 | 0 | 0 | 112.2 | V491 Q492 N497 A498 L499 Y513 D516 I517 L520 L522 | V491-F495 PolarHBondContact O-N 2.93Å; Q492-F495 PolarHBondContact O-N 3.1Å; F495-N497 VanDerWaalsContact C-N 3.3Å; F495-N497 PolarHBondContact O-N 3.03Å; F495-A498 WeakPolarHBondContact O-CB 3.45Å; F495-A498 PolarHBondContact O-N 3.49Å; F495-L499 HydrophobicContact CE1-CD2 4.01Å; F495-L499 HydrophobicContact CZ-CD2 4.46Å; F495-L499 WeakPolarHBondContact O-CB 3.35Å; F495-L499 PolarHBondContact O-N 3.34Å; F495-Y513 HydrophobicContact CE2-CD1 4.26Å; F495-Y513 HydrophobicContact CZ-CD1 4.41Å; F495-D516 HydrophobicContact CD2-CB 3.77Å; F495-D516 HydrophobicContact CE2-CB 3.47Å; F495-D516 VanDerWaalsContact CE2-CB 3.47Å; F495-D516 HydrophobicContact CZ-CB 4.18Å; F495-I517 HydrophobicContact CE1-CG1 3.78Å; F495-I517 HydrophobicContact CZ-CD1 4.38Å; F495-I517 HydrophobicContact CZ-CG1 3.78Å; F495-L520 HydrophobicContact CB-CD1 3.4Å; F495-L520 HydrophobicContact CD1-CD1 4.17Å; F495-L520 HydrophobicContact CD2-CD1 4.04Å; F495-L520 HydrophobicContact CG-CD1 3.6Å; F495-L522 HydrophobicContact CD1-CD1 3.42Å; F495-L522 VanDerWaalsContact CD1-CD1 3.42Å; F495-L522 HydrophobicContact CE1-CD1 3.88Å; F495-L522 HydrophobicContact CG-CD1 4.36Å |
| 496 | L | 94.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -32.7 | 178.4 | -68.9 | 171.7 | 0 | 0 | 0 | 112.3 | F456 Q492 H493 L499 R500 L522 V547 H551 | F456-L496 HydrophobicContact CE2-CD1 3.74Å; F456-L496 HydrophobicContact CZ-CD1 3.89Å; Q492-L496 WeakPolarHBondContact O-CB 3.31Å; Q492-L496 VanDerWaalsContact O-CG 3.28Å; Q492-L496 WeakPolarHBondContact O-CG 3.33Å; Q492-L496 PolarHBondContact O-N 3.02Å; H493-L496 PolarHBondContact O-N 3.25Å; L496-L499 HydrophobicContact CD2-CD2 4.37Å; L496-L499 PolarHBondContact O-N 3.27Å; L496-R500 WeakPolarHBondContact O-CB 3.36Å; L496-R500 WeakPolarHBondContact O-CD 3.21Å; L496-R500 WeakPolarHBondContact O-CG 3.49Å; L496-R500 PolarHBondContact O-N 3.23Å; L496-L522 HydrophobicContact CD1-CD2 4.26Å; L496-L522 HydrophobicContact CD2-CD1 4.09Å; L496-L522 HydrophobicContact CG-CD1 4.07Å; L496-V547 HydrophobicContact CD2-CG1 3.95Å; L496-H551 HydrophobicContact CD1-CB 3.96Å; L496-H551 HydrophobicContact CD2-CB 3.74Å; L496-H551 HydrophobicContact CG-CB 4.41Å |
| 497 | N | 92.6 | Very high | 92.6 | Very high | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71.4 | -33.1 | 174.9 | -75 | -16.7 | 0 | 0 | 0 | 112.4 | D489 H493 R494 F495 R500 C501 | D489-N497 PolarHBondContact OD2-ND2 3.33Å; H493-N497 VanDerWaalsContact O-CB 3.28Å; H493-N497 WeakPolarHBondContact O-CB 3.24Å; H493-N497 PolarHBondContact O-N 3.36Å; H493-N497 PolarHBondContact O-ND2 2.6Å; R494-N497 PolarHBondContact O-N 3.22Å; F495-N497 VanDerWaalsContact C-N 3.3Å; F495-N497 PolarHBondContact O-N 3.03Å; N497-R500 PolarHBondContact OD1-NH1 3.47Å; N497-C501 PolarHBondContact O-SG 2.91Å; N497-C501 VanDerWaalsContact O-SG 3.36Å |
| 498 | A | 92.2 | Very high | 92.2 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.3 | -52.1 | 167 | 0 | 0 | 0 | 0 | 0 | 111.3 | R494 F495 R500 C501 D502 | R494-A498 PolarHBondContact O-N 2.8Å; R494-A498 VanDerWaalsContact O-N 3.08Å; F495-A498 WeakPolarHBondContact O-CB 3.45Å; F495-A498 PolarHBondContact O-N 3.49Å; A498-R500 PolarHBondContact O-N 3.36Å; A498-R500 VanDerWaalsContact O-N 3.1Å; A498-C501 WeakPolarHBondContact O-CA 3.37Å; A498-C501 WeakPolarHBondContact O-CB 3.28Å; A498-C501 PolarHBondContact O-N 3.43Å; A498-D502 PolarHBondContact O-N 3.25Å |
| 499 | L | 94 | Very high | 91.9 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -24.9 | -179.3 | -172.5 | 66.5 | 0 | 0 | 0 | 113.7 | F495 L496 L506 Y513 I544 V547 L556 | F495-L499 HydrophobicContact CE1-CD2 4.01Å; F495-L499 HydrophobicContact CZ-CD2 4.46Å; F495-L499 WeakPolarHBondContact O-CB 3.35Å; F495-L499 PolarHBondContact O-N 3.34Å; L496-L499 HydrophobicContact CD2-CD2 4.37Å; L496-L499 PolarHBondContact O-N 3.27Å; L499-L506 HydrophobicContact CD1-CD2 3.92Å; L499-Y513 HydrophobicContact CD1-CD1 4.19Å; L499-I544 HydrophobicContact CD1-CG2 4.34Å; L499-V547 HydrophobicContact CD2-CG1 4.08Å; L499-L556 HydrophobicContact CD1-CD2 3.78Å; L499-L556 HydrophobicContact CG-CD2 4.07Å |
| 500 | R | 92.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.2 | -27.4 | 172.4 | -78.3 | 164.6 | -177.4 | 153.7 | -0.2 | 113.8 | L496 N497 A498 H551 C553 | L496-R500 WeakPolarHBondContact O-CB 3.36Å; L496-R500 WeakPolarHBondContact O-CD 3.21Å; L496-R500 WeakPolarHBondContact O-CG 3.49Å; L496-R500 PolarHBondContact O-N 3.23Å; N497-R500 PolarHBondContact OD1-NH1 3.47Å; A498-R500 PolarHBondContact O-N 3.36Å; A498-R500 VanDerWaalsContact O-N 3.1Å; R500-H551 PolarHBondContact NE-O 3.37Å; R500-H551 PolarHBondContact NH2-O 2.91Å; R500-C553 HydrophobicContact CG-CB 4.07Å; R500-C553 VanDerWaalsContact CG-SG 3.55Å |
| 501 | C | 89 | Confident | 91.5 | Very high | 110 Ų | 110 | 50.7 Ų | 50.7 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -93.6 | -19.7 | -179.6 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | N497 A498 | N497-C501 PolarHBondContact O-SG 2.91Å; N497-C501 VanDerWaalsContact O-SG 3.36Å; A498-C501 WeakPolarHBondContact O-CA 3.37Å; A498-C501 WeakPolarHBondContact O-CB 3.28Å; A498-C501 PolarHBondContact O-N 3.43Å |
| 502 | D | 91.3 | Very high | 91.4 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | trans | -64.8 | 161.8 | 176.5 | -82.1 | -51.3 | 0 | 0 | 0 | 114.1 | A498 L506 Y513 | A498-D502 PolarHBondContact O-N 3.25Å; D502-L506 HydrophobicContact CB-CD2 3.74Å; D502-Y513 WeakPolarHBondContact OD2-CE1 3.43Å | ||
| 503 | R | 91.8 | Very high | 91.3 | Very high | 173 Ų | 173 | 56.2 Ų | 56.2 | 65% | 0.653 | 28% | 0.275 | S | S | * | . | trans | -114.5 | 169.2 | -179.4 | -66.3 | -171.9 | -171.4 | -179.5 | 4.3 | 111.8 | T505 L506 D559 | R503-T505 PolarHBondContact O-N 3.47Å; R503-L506 PolarHBondContact O-N 3.02Å; R503-D559 WeakPolarHBondContact CA-OD2 3.29Å; R503-D559 WeakPolarHBondContact CB-OD2 3.48Å | ||
| 504 | A | 90 | Very high | 91.2 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -52.8 | -21.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L506 F507 D559 F569 | A504-L506 PolarHBondContact O-N 3.27Å; A504-F507 WeakPolarHBondContact O-CD2 3.49Å; A504-F507 PolarHBondContact O-N 3.29Å; A504-D559 PolarHBondContact N-OD2 3Å; A504-F569 HydrophobicContact CB-CE2 4.31Å; A504-F569 HydrophobicContact CB-CZ 3.95Å; A504-F569 VanDerWaalsContact O-CE1 3.22Å; A504-F569 WeakPolarHBondContact O-CE1 3.42Å; A504-F569 WeakPolarHBondContact O-CZ 3.38Å |
| 505 | T | 88 | Confident | 91.1 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 53% | 0.528 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -59 | -20.2 | 173.6 | 46 | 0 | 0 | 0 | 0 | 114.7 | R503 F507 L508 F569 | R503-T505 PolarHBondContact O-N 3.47Å; T505-F507 PolarHBondContact O-N 3.3Å; T505-L508 WeakPolarHBondContact O-CB 3.16Å; T505-L508 WeakPolarHBondContact O-CG 3.46Å; T505-L508 PolarHBondContact O-N 3.1Å; T505-L508 VanDerWaalsContact O-N 3.13Å; T505-F569 HydrophobicContact CG2-CZ 4.2Å |
| 506 | L | 91.1 | Very high | 91 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -60.2 | -30.4 | 175.8 | 77.9 | 85.2 | 0 | 0 | 0 | 112.2 | L499 D502 R503 A504 L508 R509 Y513 I544 L556 | L499-L506 HydrophobicContact CD1-CD2 3.92Å; D502-L506 HydrophobicContact CB-CD2 3.74Å; R503-L506 PolarHBondContact O-N 3.02Å; A504-L506 PolarHBondContact O-N 3.27Å; L506-L508 PolarHBondContact O-N 3.29Å; L506-L508 VanDerWaalsContact O-N 3.07Å; L506-R509 CarbonylContact O-C 3.54Å; L506-R509 VanDerWaalsContact O-C 3.26Å; L506-R509 PolarHBondContact O-N 3.27Å; L506-Y513 HydrophobicContact CB-CD2 4.27Å; L506-Y513 HydrophobicContact CB-CE1 4.45Å; L506-Y513 HydrophobicContact CB-CE2 3.72Å; L506-Y513 HydrophobicContact CD1-CD2 4.13Å; L506-Y513 HydrophobicContact CD1-CE2 4.44Å; L506-Y513 HydrophobicContact CD1-CG 4.29Å; L506-I544 HydrophobicContact CD1-CD1 4.24Å; L506-I544 HydrophobicContact CD1-CG2 3.93Å; L506-L556 HydrophobicContact CD2-CD1 3.6Å; L506-L556 HydrophobicContact CD2-CD2 3.74Å; L506-L556 HydrophobicContact CD2-CG 4.33Å |
| 507 | F | 90.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -69 | -5.4 | 179.6 | -69 | -101.5 | 0 | 0 | 0 | 113.6 | A504 T505 Y541 I544 L545 L556 C560 W564 L579 | A504-F507 WeakPolarHBondContact O-CD2 3.49Å; A504-F507 PolarHBondContact O-N 3.29Å; T505-F507 PolarHBondContact O-N 3.3Å; F507-Y541 HydrophobicContact CB-CD1 4.47Å; F507-Y541 HydrophobicContact CB-CE1 4.17Å; F507-Y541 AromaticContact CD1-CD1 3.5Å; F507-Y541 HydrophobicContact CD1-CD1 3.5Å; F507-Y541 VanDerWaalsContact CD1-CD1 3.5Å; F507-Y541 HydrophobicContact CD1-CE1 4.05Å; F507-Y541 AromaticContact CD1-CG 4Å; F507-Y541 HydrophobicContact CD1-CG 4Å; F507-Y541 HydrophobicContact CE1-CD1 4.23Å; F507-Y541 HydrophobicContact CE1-CG 4.49Å; F507-Y541 HydrophobicContact CG-CD1 4.45Å; F507-Y541 WeakPolarHBondContact O-CE1 3.44Å; F507-Y541 PolarHBondContact O-OH 3.05Å; F507-I544 HydrophobicContact CE1-CB 4.34Å; F507-I544 HydrophobicContact CE1-CG2 4.4Å; F507-I544 HydrophobicContact CE2-CG2 4.49Å; F507-I544 HydrophobicContact CZ-CB 4.31Å; F507-I544 HydrophobicContact CZ-CG2 3.91Å; F507-L545 HydrophobicContact CE1-CD2 4.26Å; F507-L545 HydrophobicContact CE1-CG 3.99Å; F507-L545 HydrophobicContact CZ-CD2 3.73Å; F507-L545 HydrophobicContact CZ-CG 3.89Å; F507-L556 HydrophobicContact CE2-CD1 4.43Å; F507-C560 WeakPolarHBondContact CE2-SG 3.16Å; F507-W564 HydrophobicContact CB-CZ2 4.36Å; F507-W564 HydrophobicContact CD1-CH2 4.04Å; F507-W564 AromaticContact CD1-CZ2 3.87Å; F507-W564 HydrophobicContact CD1-CZ2 3.87Å; F507-W564 AromaticContact CD2-CZ2 3.92Å; F507-W564 HydrophobicContact CD2-CZ2 3.92Å; F507-W564 AromaticContact CE1-CH2 3.95Å; F507-W564 HydrophobicContact CE1-CH2 3.95Å; F507-W564 HydrophobicContact CE1-CZ2 4.14Å; F507-W564 HydrophobicContact CE2-CZ2 4.18Å; F507-W564 HydrophobicContact CG-CH2 4.41Å; F507-W564 AromaticContact CG-CZ2 3.79Å; F507-W564 HydrophobicContact CG-CZ2 3.79Å; F507-W564 HydrophobicContact CZ-CH2 4.21Å; F507-W564 HydrophobicContact CZ-CZ2 4.3Å; F507-L579 HydrophobicContact CB-CD1 3.57Å; F507-L579 HydrophobicContact CG-CD1 4.36Å |
| 508 | L | 86.2 | Confident | 90.8 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -78.2 | -19.3 | 167.3 | -54.1 | -178.6 | 0 | 0 | 0 | 112.9 | T505 L506 F569 N572 T577 | T505-L508 WeakPolarHBondContact O-CB 3.16Å; T505-L508 WeakPolarHBondContact O-CG 3.46Å; T505-L508 PolarHBondContact O-N 3.1Å; T505-L508 VanDerWaalsContact O-N 3.13Å; L506-L508 PolarHBondContact O-N 3.29Å; L506-L508 VanDerWaalsContact O-N 3.07Å; L508-F569 HydrophobicContact CD2-CD1 3.84Å; L508-F569 HydrophobicContact CD2-CE1 3.75Å; L508-F569 HydrophobicContact CG-CE1 4Å; L508-N572 WeakPolarHBondContact CD2-ND2 3.47Å; L508-T577 HydrophobicContact CD2-CG2 3.82Å |
| 509 | R | 87.4 | Confident | 90.6 | Very high | 112 Ų | 112 | 58.6 Ų | 58.6 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -137.9 | 61.4 | 175.1 | -69.4 | -174.9 | -64.5 | 173.7 | -0.9 | 110.5 | L506 Q511 E1700 | L506-R509 CarbonylContact O-C 3.54Å; L506-R509 VanDerWaalsContact O-C 3.26Å; L506-R509 PolarHBondContact O-N 3.27Å; R509-Q511 PolarHBondContact O-N 3.42Å; R509-E1700 IonicContact CZ-OE1 2.75Å; R509-E1700 VanDerWaalsContact CZ-OE1 3.28Å; R509-E1700 IonicContact CZ-OE2 2.67Å; R509-E1700 IonicContact NH1-OE1 2.66Å; R509-E1700 PolarHBondContact NH1-OE1 3.47Å; R509-E1700 IonicContact NH1-OE2 2.63Å; R509-E1700 IonicContact NH2-OE1 2.69Å; R509-E1700 PolarHBondContact NH2-OE1 2.79Å; R509-E1700 IonicContact NH2-OE2 2.67Å; R509-E1700 PolarHBondContact NH2-OE2 2.83Å |
| 510 | P | 89.9 | Confident | 90.5 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.071 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66 | -24.2 | -171.6 | 30.7 | -38.6 | 0 | 0 | 0 | 113.5 | I512 Y513 H514 M540 Y541 I544 | P510-I512 VanDerWaalsContact C-N 3.34Å; P510-I512 PolarHBondContact O-N 3.48Å; P510-Y513 PolarHBondContact O-N 3.07Å; P510-H514 WeakPolarHBondContact O-CB 3.34Å; P510-H514 PolarHBondContact O-N 3.32Å; P510-M540 HydrophobicContact CB-CB 4.14Å; P510-M540 HydrophobicContact CB-SD 4.36Å; P510-M540 HydrophobicContact CG-SD 4.02Å; P510-Y541 HydrophobicContact CB-CD1 4.05Å; P510-Y541 HydrophobicContact CB-CE1 3.85Å; P510-Y541 HydrophobicContact CG-CD1 4.35Å; P510-Y541 HydrophobicContact CG-CE1 3.73Å; P510-I544 HydrophobicContact CB-CD1 3.9Å |
| 511 | Q | 90.3 | Very high | 90.4 | Very high | 80 Ų | 80 | 58.8 Ų | 58.8 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -55.3 | -43.7 | -172.4 | -173.1 | 65.2 | 25.8 | 0 | 0 | 113.3 | R509 H514 E515 | R509-Q511 PolarHBondContact O-N 3.42Å; Q511-H514 WeakPolarHBondContact O-CB 3.38Å; Q511-H514 PolarHBondContact O-N 3.29Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.14Å; Q511-E515 PolarHBondContact NE2-OE1 2.91Å; Q511-E515 WeakPolarHBondContact O-CB 3.28Å; Q511-E515 WeakPolarHBondContact O-CG 3.47Å; Q511-E515 PolarHBondContact O-N 2.9Å |
| 512 | I | 91.3 | Very high | 90.6 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 45% | 0.451 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.7 | -47.7 | -176.2 | -55.6 | 172.9 | 0 | 0 | 0 | 110.1 | P510 H514 E515 D516 | P510-I512 VanDerWaalsContact C-N 3.34Å; P510-I512 PolarHBondContact O-N 3.48Å; I512-H514 VanDerWaalsContact C-N 3.32Å; I512-H514 PolarHBondContact O-N 2.92Å; I512-E515 PolarHBondContact O-N 3.1Å; I512-D516 PolarHBondContact O-N 2.63Å |
| 513 | Y | 92.7 | Very high | 90.4 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -36.9 | 176.9 | -58.9 | -87.1 | 0 | 0 | 0 | 112 | F495 L499 D502 L506 P510 I517 | F495-Y513 HydrophobicContact CE2-CD1 4.26Å; F495-Y513 HydrophobicContact CZ-CD1 4.41Å; L499-Y513 HydrophobicContact CD1-CD1 4.19Å; D502-Y513 WeakPolarHBondContact OD2-CE1 3.43Å; L506-Y513 HydrophobicContact CB-CD2 4.27Å; L506-Y513 HydrophobicContact CB-CE1 4.45Å; L506-Y513 HydrophobicContact CB-CE2 3.72Å; L506-Y513 HydrophobicContact CD1-CD2 4.13Å; L506-Y513 HydrophobicContact CD1-CE2 4.44Å; L506-Y513 HydrophobicContact CD1-CG 4.29Å; P510-Y513 PolarHBondContact O-N 3.07Å; Y513-I517 WeakPolarHBondContact O-CB 3.43Å; Y513-I517 WeakPolarHBondContact O-CD1 3.29Å; Y513-I517 WeakPolarHBondContact O-CG1 3.4Å; Y513-I517 PolarHBondContact O-N 2.93Å |
| 514 | H | 91.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 174.1 | 175.7 | -78.4 | 0 | 0 | 0 | 111.9 | P510 Q511 I512 D516 I517 V518 F535 M540 L543 | P510-H514 WeakPolarHBondContact O-CB 3.34Å; P510-H514 PolarHBondContact O-N 3.32Å; Q511-H514 WeakPolarHBondContact O-CB 3.38Å; Q511-H514 PolarHBondContact O-N 3.29Å; I512-H514 VanDerWaalsContact C-N 3.32Å; I512-H514 PolarHBondContact O-N 2.92Å; H514-D516 VanDerWaalsContact C-N 3.34Å; H514-D516 PolarHBondContact O-N 3.2Å; H514-I517 PolarHBondContact O-N 3.35Å; H514-V518 WeakPolarHBondContact O-CG2 3.35Å; H514-V518 PolarHBondContact O-N 2.75Å; H514-F535 AromaticContact CE1-CD2 3.22Å; H514-F535 WeakPolarHBondContact CE1-CD2 3.3Å; H514-F535 AromaticContact CE1-CE2 3.42Å; H514-F535 VanDerWaalsContact CE1-CE2 3.42Å; H514-F535 WeakPolarHBondContact CE1-CE2 3.27Å; H514-F535 AromaticContact CE1-CG 3.74Å; H514-F535 AromaticContact NE2-CD1 3.79Å; H514-F535 AromaticContact NE2-CD2 3.47Å; H514-F535 WeakPolarHBondContact NE2-CD2 3.22Å; H514-F535 AromaticContact NE2-CE2 3.76Å; H514-F535 AromaticContact NE2-CG 3.48Å; H514-F535 WeakPolarHBondContact NE2-CG 3.3Å; H514-M540 HydrophobicContact CB-CB 4.45Å; H514-M540 HydrophobicContact CB-CG 4.29Å; H514-L543 WeakPolarHBondContact CD2-CD2 3.45Å |
| 515 | E | 91 | Very high | 90 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 49% | 0.486 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.7 | -75.9 | 170.2 | -173.4 | 0 | 0 | 111.6 | Q511 I512 V518 R519 | Q511-E515 WeakPolarHBondContact CG-OE1 3.14Å; Q511-E515 PolarHBondContact NE2-OE1 2.91Å; Q511-E515 WeakPolarHBondContact O-CB 3.28Å; Q511-E515 WeakPolarHBondContact O-CG 3.47Å; Q511-E515 PolarHBondContact O-N 2.9Å; I512-E515 PolarHBondContact O-N 3.1Å; E515-V518 PolarHBondContact O-N 2.89Å; E515-R519 WeakPolarHBondContact O-CB 3.35Å; E515-R519 PolarHBondContact O-N 2.81Å |
| 516 | D | 93 | Very high | 89.8 | Confident | 38 Ų | 38 | 43.4 Ų | 43.4 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | 175.3 | -87 | -25.1 | 0 | 0 | 0 | 113.4 | F495 I512 H514 V518 R519 L520 | F495-D516 HydrophobicContact CD2-CB 3.77Å; F495-D516 HydrophobicContact CE2-CB 3.47Å; F495-D516 VanDerWaalsContact CE2-CB 3.47Å; F495-D516 HydrophobicContact CZ-CB 4.18Å; I512-D516 PolarHBondContact O-N 2.63Å; H514-D516 VanDerWaalsContact C-N 3.34Å; H514-D516 PolarHBondContact O-N 3.2Å; D516-V518 VanDerWaalsContact C-N 3.33Å; D516-V518 PolarHBondContact O-N 3.42Å; D516-R519 PolarHBondContact O-N 3.31Å; D516-R519 IonicContact OD1-CZ 2.65Å; D516-R519 IonicContact OD1-NE 3.32Å; D516-R519 PolarHBondContact OD1-NE 3.48Å; D516-R519 IonicContact OD1-NH2 3.15Å; D516-R519 PolarHBondContact OD1-NH2 3.35Å; D516-L520 HydrophobicContact CB-CD1 4.34Å; D516-L520 WeakPolarHBondContact O-CB 3.36Å; D516-L520 WeakPolarHBondContact O-CG 3.41Å; D516-L520 PolarHBondContact O-N 2.91Å |
| 517 | I | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 173.7 | -77.2 | 163.5 | 0 | 0 | 0 | 111.1 | F495 Y513 H514 R521 L522 L523 L543 I544 V547 | F495-I517 HydrophobicContact CE1-CG1 3.78Å; F495-I517 HydrophobicContact CZ-CD1 4.38Å; F495-I517 HydrophobicContact CZ-CG1 3.78Å; Y513-I517 WeakPolarHBondContact O-CB 3.43Å; Y513-I517 WeakPolarHBondContact O-CD1 3.29Å; Y513-I517 WeakPolarHBondContact O-CG1 3.4Å; Y513-I517 PolarHBondContact O-N 2.93Å; H514-I517 PolarHBondContact O-N 3.35Å; I517-R521 PolarHBondContact O-N 3.18Å; I517-L522 HydrophobicContact CG2-CB 4.3Å; I517-L522 WeakPolarHBondContact CG2-O 3.37Å; I517-L522 PolarHBondContact O-N 3.1Å; I517-L523 HydrophobicContact CG2-CD2 4.4Å; I517-L543 HydrophobicContact CB-CD2 4.33Å; I517-L543 HydrophobicContact CG2-CD2 3.65Å; I517-L543 HydrophobicContact CG2-CG 4.11Å; I517-I544 HydrophobicContact CD1-CB 4.4Å; I517-I544 HydrophobicContact CD1-CG1 3.78Å; I517-V547 HydrophobicContact CD1-CB 4.12Å; I517-V547 HydrophobicContact CD1-CG1 4.34Å; I517-V547 HydrophobicContact CD1-CG2 3.82Å; I517-V547 HydrophobicContact CG1-CG1 4.31Å; I517-V547 HydrophobicContact CG1-CG2 4.06Å; I517-V547 HydrophobicContact CG2-CG2 3.86Å |
| 518 | V | 90.4 | Very high | 88.2 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 16% | 0.158 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.6 | -48 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | H514 E515 D516 L520 R521 L523 P531 | H514-V518 WeakPolarHBondContact O-CG2 3.35Å; H514-V518 PolarHBondContact O-N 2.75Å; E515-V518 PolarHBondContact O-N 2.89Å; D516-V518 VanDerWaalsContact C-N 3.33Å; D516-V518 PolarHBondContact O-N 3.42Å; V518-L520 PolarHBondContact O-N 3.32Å; V518-R521 PolarHBondContact O-N 3.47Å; V518-L523 HydrophobicContact CG2-CD2 4.18Å; V518-P531 HydrophobicContact CG1-CB 3.68Å |
| 519 | R | 88.7 | Confident | 87.2 | Confident | 158 Ų | 158 | 54.4 Ų | 54.4 | 60% | 0.596 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.9 | -38.2 | -177.7 | -176.6 | 174.1 | 74.2 | 104.9 | -7.5 | 113.5 | E515 D516 R521 | E515-R519 WeakPolarHBondContact O-CB 3.35Å; E515-R519 PolarHBondContact O-N 2.81Å; D516-R519 PolarHBondContact O-N 3.31Å; D516-R519 IonicContact OD1-CZ 2.65Å; D516-R519 IonicContact OD1-NE 3.32Å; D516-R519 PolarHBondContact OD1-NE 3.48Å; D516-R519 IonicContact OD1-NH2 3.15Å; D516-R519 PolarHBondContact OD1-NH2 3.35Å; R519-R521 VanDerWaalsContact C-N 3.33Å |
| 520 | L | 91.9 | Very high | 86.2 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.7 | -177.9 | -62.2 | 174.1 | 0 | 0 | 0 | 113.4 | V491 Q492 F495 D516 V518 L522 | V491-L520 HydrophobicContact CB-CD2 3.86Å; V491-L520 HydrophobicContact CG2-CD2 3.82Å; Q492-L520 HydrophobicContact CG-CB 4.41Å; F495-L520 HydrophobicContact CB-CD1 3.4Å; F495-L520 HydrophobicContact CD1-CD1 4.17Å; F495-L520 HydrophobicContact CD2-CD1 4.04Å; F495-L520 HydrophobicContact CG-CD1 3.6Å; D516-L520 HydrophobicContact CB-CD1 4.34Å; D516-L520 WeakPolarHBondContact O-CB 3.36Å; D516-L520 WeakPolarHBondContact O-CG 3.41Å; D516-L520 PolarHBondContact O-N 2.91Å; V518-L520 PolarHBondContact O-N 3.32Å; L520-L522 VanDerWaalsContact C-N 3.34Å; L520-L522 HydrophobicContact CB-CD1 4.1Å; L520-L522 HydrophobicContact CB-CG 4.09Å; L520-L522 HydrophobicContact CD1-CD1 4.37Å; L520-L522 PolarHBondContact O-N 3.47Å |
| 521 | R | 90.8 | Very high | 85 | Confident | 73 Ų | 73 | 55.8 Ų | 55.8 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 48.4 | -173.8 | -60.5 | -63.3 | -162.9 | -176.9 | 1.4 | 112.8 | Y462 E464 H465 I517 V518 R519 L523 | Y462-R521 HydrophobicContact CD1-CB 4.25Å; Y462-R521 HydrophobicContact CD1-CG 4.17Å; Y462-R521 HydrophobicContact CD2-CB 3.75Å; Y462-R521 HydrophobicContact CE2-CB 4.38Å; Y462-R521 HydrophobicContact CG-CB 3.66Å; Y462-R521 HydrophobicContact CG-CG 4Å; E464-R521 HydrophobicContact CB-CG 4.08Å; E464-R521 HydrophobicContact CG-CG 4.09Å; E464-R521 IonicContact OE1-CZ 3.25Å; E464-R521 IonicContact OE1-NE 3.27Å; E464-R521 PolarHBondContact OE1-NE 3.14Å; E464-R521 IonicContact OE1-NH2 2.99Å; E464-R521 PolarHBondContact OE1-NH2 2.98Å; E464-R521 IonicContact OE2-NE 2.69Å; H465-R521 PolarHBondContact CE1-O 3.19Å; H465-R521 PolarHBondContact NE2-O 3.35Å; I517-R521 PolarHBondContact O-N 3.18Å; V518-R521 PolarHBondContact O-N 3.47Å; R519-R521 VanDerWaalsContact C-N 3.33Å; R521-L523 VanDerWaalsContact C-N 3.27Å |
| 522 | L | 92 | Very high | 83.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | trans | -97.7 | 34.8 | 172.2 | -64.5 | 175.1 | 0 | 0 | 0 | 110.7 | F456 Q492 F495 L496 I517 L520 P524 V547 | F456-L522 HydrophobicContact CE1-CD2 3.55Å; F456-L522 HydrophobicContact CE2-CD2 4.42Å; F456-L522 HydrophobicContact CZ-CD2 3.39Å; Q492-L522 HydrophobicContact CB-CD2 4.09Å; Q492-L522 HydrophobicContact CG-CD2 4.03Å; Q492-L522 HydrophobicContact CG-CG 4.41Å; F495-L522 HydrophobicContact CD1-CD1 3.42Å; F495-L522 VanDerWaalsContact CD1-CD1 3.42Å; F495-L522 HydrophobicContact CE1-CD1 3.88Å; F495-L522 HydrophobicContact CG-CD1 4.36Å; L496-L522 HydrophobicContact CD1-CD2 4.26Å; L496-L522 HydrophobicContact CD2-CD1 4.09Å; L496-L522 HydrophobicContact CG-CD1 4.07Å; I517-L522 HydrophobicContact CG2-CB 4.3Å; I517-L522 WeakPolarHBondContact CG2-O 3.37Å; I517-L522 PolarHBondContact O-N 3.1Å; L520-L522 VanDerWaalsContact C-N 3.34Å; L520-L522 HydrophobicContact CB-CD1 4.1Å; L520-L522 HydrophobicContact CB-CG 4.09Å; L520-L522 HydrophobicContact CD1-CD1 4.37Å; L520-L522 PolarHBondContact O-N 3.47Å; L522-P524 WeakPolarHBondContact O-CD 3.21Å; L522-V547 HydrophobicContact CB-CG1 4.4Å; L522-V547 WeakPolarHBondContact O-CG2 3.19Å | ||
| 523 | L | 88.7 | Confident | 82.9 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | trans | -67.4 | 129.5 | -179 | -64.7 | 178.1 | 0 | 0 | 0 | 109.9 | Q460 I517 V518 R521 C527 | Q460-L523 PolarHBondContact OE1-O 2.91Å; I517-L523 HydrophobicContact CG2-CD2 4.4Å; V518-L523 HydrophobicContact CG2-CD2 4.18Å; R521-L523 VanDerWaalsContact C-N 3.27Å; L523-C527 HydrophobicContact CB-CB 4.4Å | ||
| 524 | P | 87.7 | Confident | 81.9 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | trans | -57.6 | 150.8 | 176.7 | -30.1 | 38 | 0 | 0 | 0 | 113.8 | L522 F526 C527 L543 V547 E550 | L522-P524 WeakPolarHBondContact O-CD 3.21Å; P524-F526 PolarHBondContact O-N 2.67Å; P524-C527 HydrophobicContact CB-CB 4.18Å; P524-C527 WeakPolarHBondContact O-CB 3.42Å; P524-C527 PolarHBondContact O-N 2.94Å; P524-L543 VanDerWaalsContact CD-CD1 3.45Å; P524-L543 HydrophobicContact CG-CD1 3.83Å; P524-L543 HydrophobicContact CG-CG 4.34Å; P524-V547 HydrophobicContact CG-CG2 3.77Å; P524-E550 WeakPolarHBondContact CA-OE1 3.46Å; P524-E550 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 525 | Q | 83.9 | Confident | 81.1 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -33.7 | -179.5 | -174.2 | 178.5 | -0.5 | 0 | 0 | 114.7 | L459 Q460 E550 E621 | L459-Q525 HydrophobicContact CD2-CG 4.1Å; Q460-Q525 PolarHBondContact NE2-O 3.4Å; Q525-E550 PolarHBondContact N-OE1 3.49Å; Q525-E550 PolarHBondContact N-OE2 3.23Å; Q525-E550 VanDerWaalsContact N-OE2 3.14Å; Q525-E621 PolarHBondContact NE2-OE1 3.26Å |
| 526 | F | 85.4 | Confident | 80.9 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 20% | 0.202 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 24.4 | -179.1 | -50 | -55.4 | 0 | 0 | 0 | 113.6 | P524 E528 R591 Q594 I595 R598 L625 | P524-F526 PolarHBondContact O-N 2.67Å; F526-E528 PolarHBondContact O-N 3.48Å; F526-R591 VanDerWaalsContact CD2-CZ 3.43Å; F526-Q594 HydrophobicContact CB-CB 4.49Å; F526-Q594 HydrophobicContact CB-CG 4.49Å; F526-Q594 HydrophobicContact CD1-CB 4.27Å; F526-Q594 HydrophobicContact CD2-CB 3.48Å; F526-Q594 VanDerWaalsContact CD2-CB 3.48Å; F526-Q594 HydrophobicContact CD2-CG 4.26Å; F526-Q594 HydrophobicContact CE1-CB 4.41Å; F526-Q594 HydrophobicContact CE2-CB 3.65Å; F526-Q594 HydrophobicContact CG-CB 3.82Å; F526-Q594 HydrophobicContact CG-CG 4.33Å; F526-Q594 HydrophobicContact CZ-CB 4.11Å; F526-I595 HydrophobicContact CE2-CG1 3.83Å; F526-I595 HydrophobicContact CZ-CG1 4.26Å; F526-R598 HydrophobicContact CE1-CB 3.7Å; F526-R598 HydrophobicContact CE1-CG 3.91Å; F526-R598 HydrophobicContact CZ-CB 3.96Å; F526-R598 HydrophobicContact CZ-CG 4.36Å; F526-L625 HydrophobicContact CE2-CD2 4.23Å; F526-L625 HydrophobicContact CZ-CD2 3.62Å |
| 527 | C | 79.4 | Confident | 80.5 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | trans | -92.4 | 92.6 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | L523 P524 L529 | L523-C527 HydrophobicContact CB-CB 4.4Å; P524-C527 HydrophobicContact CB-CB 4.18Å; P524-C527 WeakPolarHBondContact O-CB 3.42Å; P524-C527 PolarHBondContact O-N 2.94Å; C527-L529 PolarHBondContact O-N 3.06Å; C527-L529 VanDerWaalsContact O-N 3.16Å; C527-L529 VanDerWaalsContact SG-CB 3.59Å | ||
| 528 | E | 68 | Low | 80.2 | Confident | 196 Ų | 196 | 68.7 Ų | 68.7 | 92% | 0.916 | 36% | 0.357 | S | S | * | . | trans | -74.8 | 9.3 | 172.7 | -62 | -179.2 | -177.5 | 0 | 0 | 113.6 | F526 N530 | F526-E528 PolarHBondContact O-N 3.48Å; E528-N530 PolarHBondContact O-N 2.85Å | ||
| 529 | L | 64.3 | Low | 80 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | trans | -77.5 | 124.1 | -165.8 | -59.2 | 173.7 | 0 | 0 | 0 | 112.3 | C527 F535 L543 | C527-L529 PolarHBondContact O-N 3.06Å; C527-L529 VanDerWaalsContact O-N 3.16Å; C527-L529 VanDerWaalsContact SG-CB 3.59Å; L529-F535 HydrophobicContact CB-CE1 3.9Å; L529-F535 HydrophobicContact CB-CZ 4.38Å; L529-F535 HydrophobicContact CD1-CD1 4.24Å; L529-F535 HydrophobicContact CD1-CE1 3.75Å; L529-F535 HydrophobicContact CD2-CE1 4.18Å; L529-F535 HydrophobicContact CG-CE1 4.14Å; L529-L543 HydrophobicContact CD1-CD1 4.17Å | ||
| 530 | N | 66.8 | Low | 80.1 | Confident | 100 Ų | 100 | 61.9 Ų | 61.9 | 54% | 0.535 | 33% | 0.334 | S | S | . | . | trans | -64.3 | 122.7 | 164.8 | 179.9 | -17.9 | 0 | 0 | 0 | 108.8 | E528 N532 A533 F535 | E528-N530 PolarHBondContact O-N 2.85Å; N530-N532 PolarHBondContact O-N 2.7Å; N530-N532 PolarHBondContact OD1-N 2.7Å; N530-A533 WeakPolarHBondContact O-CB 3.11Å; N530-A533 PolarHBondContact O-N 3.45Å; N530-A533 VanDerWaalsContact O-N 3.1Å; N530-F535 WeakPolarHBondContact O-CZ 3.27Å | ||
| 531 | P | 64.6 | Low | 80.1 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 34% | 0.338 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.7 | -176.3 | 26.1 | -36.3 | 0 | 0 | 0 | 113.9 | V518 | V518-P531 HydrophobicContact CG1-CB 3.68Š|
| 532 | N | 65.4 | Low | 80.1 | Confident | 148 Ų | 148 | 60.9 Ų | 60.9 | 79% | 0.791 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6 | -179.5 | -59 | -2.9 | 0 | 0 | 0 | 113.3 | N530 | N530-N532 PolarHBondContact O-N 2.7Å; N530-N532 PolarHBondContact OD1-N 2.7Å |
| 533 | A | 72.2 | Confident | 80.1 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 39% | 0.388 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -79.5 | 159.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N530 F535 | N530-A533 WeakPolarHBondContact O-CB 3.11Å; N530-A533 PolarHBondContact O-N 3.45Å; N530-A533 VanDerWaalsContact O-N 3.1Å; A533-F535 HydrophobicContact CB-CE1 4.37Å; A533-F535 HydrophobicContact CB-CE2 4.45Å; A533-F535 HydrophobicContact CB-CZ 4.08Å; A533-F535 WeakPolarHBondContact O-CD2 3.41Å; A533-F535 WeakPolarHBondContact O-CE2 3.33Å |
| 534 | T | 71.6 | Confident | 80.4 | Confident | 150 Ų | 150 | 60.2 Ų | 60.2 | 92% | 0.92 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 119.3 | 168.4 | 39.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 535 | F | 75.1 | Confident | 80.7 | Confident | 43 Ų | 43 | 60.2 Ų | 60.2 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 143.4 | -174 | -61.6 | -79.2 | 0 | 0 | 0 | 112.6 | H514 L529 N530 A533 M540 | H514-F535 AromaticContact CE1-CD2 3.22Å; H514-F535 WeakPolarHBondContact CE1-CD2 3.3Å; H514-F535 AromaticContact CE1-CE2 3.42Å; H514-F535 VanDerWaalsContact CE1-CE2 3.42Å; H514-F535 WeakPolarHBondContact CE1-CE2 3.27Å; H514-F535 AromaticContact CE1-CG 3.74Å; H514-F535 AromaticContact NE2-CD1 3.79Å; H514-F535 AromaticContact NE2-CD2 3.47Å; H514-F535 WeakPolarHBondContact NE2-CD2 3.22Å; H514-F535 AromaticContact NE2-CE2 3.76Å; H514-F535 AromaticContact NE2-CG 3.48Å; H514-F535 WeakPolarHBondContact NE2-CG 3.3Å; L529-F535 HydrophobicContact CB-CE1 3.9Å; L529-F535 HydrophobicContact CB-CZ 4.38Å; L529-F535 HydrophobicContact CD1-CD1 4.24Å; L529-F535 HydrophobicContact CD1-CE1 3.75Å; L529-F535 HydrophobicContact CD2-CE1 4.18Å; L529-F535 HydrophobicContact CG-CE1 4.14Å; N530-F535 WeakPolarHBondContact O-CZ 3.27Å; A533-F535 HydrophobicContact CB-CE1 4.37Å; A533-F535 HydrophobicContact CB-CE2 4.45Å; A533-F535 HydrophobicContact CB-CZ 4.08Å; A533-F535 WeakPolarHBondContact O-CD2 3.41Å; A533-F535 WeakPolarHBondContact O-CE2 3.33Å; F535-M540 HydrophobicContact CB-CE 3.76Å; F535-M540 HydrophobicContact CB-CG 4.08Å |
| 536 | S | 85.8 | Confident | 81.3 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 49% | 0.49 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 152.7 | 167.9 | 71.9 | 0 | 0 | 0 | 0 | 110.5 | I538 A539 M540 | S536-I538 PolarHBondContact O-N 2.75Å; S536-I538 VanDerWaalsContact O-N 3.16Å; S536-A539 PolarHBondContact O-N 2.91Å; S536-A539 WeakPolarHBondContact OG-CB 3.25Å; S536-A539 PolarHBondContact OG-N 2.7Å; S536-A539 VanDerWaalsContact OG-N 3.17Å; S536-M540 WeakPolarHBondContact O-CG 3.31Å; S536-M540 PolarHBondContact O-N 2.89Å; S536-M540 VanDerWaalsContact O-N 3.07Å |
| 537 | K | 84.9 | Confident | 81.7 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 38% | 0.383 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -51.5 | -40.5 | 175.3 | -71.2 | -170.9 | 178 | -174.8 | 0 | 111.5 | M540 Y541 D575 | K537-M540 WeakPolarHBondContact O-CB 3.44Å; K537-M540 PolarHBondContact O-N 3.35Å; K537-Y541 HydrophobicContact CB-CE2 4.13Å; K537-Y541 VanDerWaalsContact O-CD1 3.29Å; K537-Y541 WeakPolarHBondContact O-CD1 3.22Å; K537-Y541 VanDerWaalsContact O-CD2 3.28Å; K537-Y541 WeakPolarHBondContact O-CD2 3.43Å; K537-Y541 PolarHBondContact O-N 3.3Å; K537-D575 IonicContact NZ-OD1 3.11Å; K537-D575 PolarHBondContact NZ-OD1 2.87Å; K537-D575 IonicContact NZ-OD2 2.75Å; K537-D575 PolarHBondContact NZ-OD2 2.93Å |
| 538 | I | 86.5 | Confident | 82.5 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 177.9 | -59.7 | 173.9 | 0 | 0 | 0 | 112 | S536 M540 Y541 E542 | S536-I538 PolarHBondContact O-N 2.75Å; S536-I538 VanDerWaalsContact O-N 3.16Å; I538-M540 VanDerWaalsContact C-N 3.34Å; I538-M540 PolarHBondContact O-N 2.96Å; I538-Y541 WeakPolarHBondContact O-CB 3.38Å; I538-Y541 PolarHBondContact O-N 2.84Å; I538-E542 PolarHBondContact O-N 3.27Å |
| 539 | A | 87.4 | Confident | 83.8 | Confident | 25 Ų | 25 | 47 Ų | 47 | 21% | 0.207 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S536 Y541 E542 L543 | S536-A539 PolarHBondContact O-N 2.91Å; S536-A539 WeakPolarHBondContact OG-CB 3.25Å; S536-A539 PolarHBondContact OG-N 2.7Å; S536-A539 VanDerWaalsContact OG-N 3.17Å; A539-Y541 VanDerWaalsContact C-N 3.33Å; A539-Y541 PolarHBondContact O-N 2.94Å; A539-E542 PolarHBondContact O-N 3.44Å; A539-L543 WeakPolarHBondContact O-CB 3.37Å; A539-L543 PolarHBondContact O-N 3.11Å |
| 540 | M | 90.4 | Very high | 85.1 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 172.8 | -56.9 | 166.6 | -175.2 | 0 | 0 | 111.5 | P510 H514 F535 S536 K537 I538 L543 I544 | P510-M540 HydrophobicContact CB-CB 4.14Å; P510-M540 HydrophobicContact CB-SD 4.36Å; P510-M540 HydrophobicContact CG-SD 4.02Å; H514-M540 HydrophobicContact CB-CB 4.45Å; H514-M540 HydrophobicContact CB-CG 4.29Å; F535-M540 HydrophobicContact CB-CE 3.76Å; F535-M540 HydrophobicContact CB-CG 4.08Å; S536-M540 WeakPolarHBondContact O-CG 3.31Å; S536-M540 PolarHBondContact O-N 2.89Å; S536-M540 VanDerWaalsContact O-N 3.07Å; K537-M540 WeakPolarHBondContact O-CB 3.44Å; K537-M540 PolarHBondContact O-N 3.35Å; I538-M540 VanDerWaalsContact C-N 3.34Å; I538-M540 PolarHBondContact O-N 2.96Å; M540-L543 WeakPolarHBondContact O-CB 3.31Å; M540-L543 PolarHBondContact O-N 3.29Å; M540-I544 WeakPolarHBondContact O-CD1 3.31Å; M540-I544 VanDerWaalsContact O-CG1 3.29Å; M540-I544 WeakPolarHBondContact O-CG1 3.47Å; M540-I544 PolarHBondContact O-N 2.96Å |
| 541 | Y | 91.2 | Very high | 86.3 | Confident | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.9 | -58.3 | -26.7 | 0 | 0 | 0 | 112 | F507 P510 K537 I538 A539 L543 I544 L545 L579 | F507-Y541 HydrophobicContact CB-CD1 4.47Å; F507-Y541 HydrophobicContact CB-CE1 4.17Å; F507-Y541 AromaticContact CD1-CD1 3.5Å; F507-Y541 HydrophobicContact CD1-CD1 3.5Å; F507-Y541 VanDerWaalsContact CD1-CD1 3.5Å; F507-Y541 HydrophobicContact CD1-CE1 4.05Å; F507-Y541 AromaticContact CD1-CG 4Å; F507-Y541 HydrophobicContact CD1-CG 4Å; F507-Y541 HydrophobicContact CE1-CD1 4.23Å; F507-Y541 HydrophobicContact CE1-CG 4.49Å; F507-Y541 HydrophobicContact CG-CD1 4.45Å; F507-Y541 WeakPolarHBondContact O-CE1 3.44Å; F507-Y541 PolarHBondContact O-OH 3.05Å; P510-Y541 HydrophobicContact CB-CD1 4.05Å; P510-Y541 HydrophobicContact CB-CE1 3.85Å; P510-Y541 HydrophobicContact CG-CD1 4.35Å; P510-Y541 HydrophobicContact CG-CE1 3.73Å; K537-Y541 HydrophobicContact CB-CE2 4.13Å; K537-Y541 VanDerWaalsContact O-CD1 3.29Å; K537-Y541 WeakPolarHBondContact O-CD1 3.22Å; K537-Y541 VanDerWaalsContact O-CD2 3.28Å; K537-Y541 WeakPolarHBondContact O-CD2 3.43Å; K537-Y541 PolarHBondContact O-N 3.3Å; I538-Y541 WeakPolarHBondContact O-CB 3.38Å; I538-Y541 PolarHBondContact O-N 2.84Å; A539-Y541 VanDerWaalsContact C-N 3.33Å; A539-Y541 PolarHBondContact O-N 2.94Å; Y541-L543 VanDerWaalsContact C-N 3.31Å; Y541-L543 PolarHBondContact O-N 2.99Å; Y541-I544 PolarHBondContact O-N 2.94Å; Y541-L545 WeakPolarHBondContact O-CB 3.44Å; Y541-L545 VanDerWaalsContact O-CG 3.28Å; Y541-L545 WeakPolarHBondContact O-CG 3.29Å; Y541-L545 PolarHBondContact O-N 3.46Å; Y541-L579 HydrophobicContact CD2-CD2 3.5Å; Y541-L579 HydrophobicContact CD2-CG 4.28Å; Y541-L579 HydrophobicContact CE1-CD1 4.43Å; Y541-L579 HydrophobicContact CE2-CD1 4.19Å; Y541-L579 HydrophobicContact CE2-CD2 3.62Å; Y541-L579 HydrophobicContact CE2-CG 3.87Å; Y541-L579 HydrophobicContact CG-CD2 4.06Å |
| 542 | E | 90.8 | Very high | 87.6 | Confident | 60 Ų | 60 | 45 Ų | 45 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 175.2 | -70.8 | -170.7 | 165.6 | 0 | 0 | 112.5 | I538 A539 S546 K590 | I538-E542 PolarHBondContact O-N 3.27Å; A539-E542 PolarHBondContact O-N 3.44Å; E542-S546 WeakPolarHBondContact O-CB 3.34Å; E542-S546 PolarHBondContact O-N 2.8Å; E542-S546 PolarHBondContact O-OG 2.96Å; E542-K590 WeakPolarHBondContact OE1-CD 3.4Å; E542-K590 IonicContact OE1-NZ 2.67Å; E542-K590 PolarHBondContact OE1-NZ 3.05Å; E542-K590 IonicContact OE2-NZ 3.18Å; E542-K590 PolarHBondContact OE2-NZ 3.04Å |
| 543 | L | 92 | Very high | 88.9 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -54 | 175.8 | -164.7 | 80.8 | 0 | 0 | 0 | 110.5 | H514 I517 P524 L529 A539 M540 Y541 L545 S546 V547 | H514-L543 WeakPolarHBondContact CD2-CD2 3.45Å; I517-L543 HydrophobicContact CB-CD2 4.33Å; I517-L543 HydrophobicContact CG2-CD2 3.65Å; I517-L543 HydrophobicContact CG2-CG 4.11Å; P524-L543 VanDerWaalsContact CD-CD1 3.45Å; P524-L543 HydrophobicContact CG-CD1 3.83Å; P524-L543 HydrophobicContact CG-CG 4.34Å; L529-L543 HydrophobicContact CD1-CD1 4.17Å; A539-L543 WeakPolarHBondContact O-CB 3.37Å; A539-L543 PolarHBondContact O-N 3.11Å; M540-L543 WeakPolarHBondContact O-CB 3.31Å; M540-L543 PolarHBondContact O-N 3.29Å; Y541-L543 VanDerWaalsContact C-N 3.31Å; Y541-L543 PolarHBondContact O-N 2.99Å; L543-L545 PolarHBondContact O-N 2.81Å; L543-S546 WeakPolarHBondContact O-CB 3.16Å; L543-S546 PolarHBondContact O-N 3.3Å; L543-S546 VanDerWaalsContact O-N 3.1Å; L543-V547 WeakPolarHBondContact O-CG2 3.25Å; L543-V547 PolarHBondContact O-N 3.5Å |
| 544 | I | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | -178 | -63.1 | 160.6 | 0 | 0 | 0 | 111.2 | L499 L506 F507 P510 I517 M540 Y541 S546 V547 A548 | L499-I544 HydrophobicContact CD1-CG2 4.34Å; L506-I544 HydrophobicContact CD1-CD1 4.24Å; L506-I544 HydrophobicContact CD1-CG2 3.93Å; F507-I544 HydrophobicContact CE1-CB 4.34Å; F507-I544 HydrophobicContact CE1-CG2 4.4Å; F507-I544 HydrophobicContact CE2-CG2 4.49Å; F507-I544 HydrophobicContact CZ-CB 4.31Å; F507-I544 HydrophobicContact CZ-CG2 3.91Å; P510-I544 HydrophobicContact CB-CD1 3.9Å; I517-I544 HydrophobicContact CD1-CB 4.4Å; I517-I544 HydrophobicContact CD1-CG1 3.78Å; M540-I544 WeakPolarHBondContact O-CD1 3.31Å; M540-I544 VanDerWaalsContact O-CG1 3.29Å; M540-I544 WeakPolarHBondContact O-CG1 3.47Å; M540-I544 PolarHBondContact O-N 2.96Å; Y541-I544 PolarHBondContact O-N 2.94Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 3.06Å; I544-V547 PolarHBondContact O-N 3.41Å; I544-A548 VanDerWaalsContact O-CB 3.29Å; I544-A548 WeakPolarHBondContact O-CB 3.35Å; I544-A548 PolarHBondContact O-N 3.11Å |
| 545 | L | 95.5 | Very high | 90.9 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 174.6 | -70.8 | 171 | 0 | 0 | 0 | 111.9 | F507 Y541 L543 A548 L549 L557 W564 L584 W587 | F507-L545 HydrophobicContact CE1-CD2 4.26Å; F507-L545 HydrophobicContact CE1-CG 3.99Å; F507-L545 HydrophobicContact CZ-CD2 3.73Å; F507-L545 HydrophobicContact CZ-CG 3.89Å; Y541-L545 WeakPolarHBondContact O-CB 3.44Å; Y541-L545 VanDerWaalsContact O-CG 3.28Å; Y541-L545 WeakPolarHBondContact O-CG 3.29Å; Y541-L545 PolarHBondContact O-N 3.46Å; L543-L545 PolarHBondContact O-N 2.81Å; L545-A548 PolarHBondContact O-N 3.36Å; L545-L549 PolarHBondContact O-N 3.42Å; L545-L557 HydrophobicContact CD2-CD2 3.69Å; L545-W564 HydrophobicContact CD1-CH2 4.13Å; L545-W564 HydrophobicContact CD1-CZ3 4.22Å; L545-W564 HydrophobicContact CD2-CH2 4.19Å; L545-L584 HydrophobicContact CD1-CD1 4.19Å; L545-L584 HydrophobicContact CD2-CD1 4.05Å; L545-W587 VanDerWaalsContact C-CZ2 3.46Å; L545-W587 HydrophobicContact CB-CD2 3.86Å; L545-W587 HydrophobicContact CB-CE3 4.3Å; L545-W587 HydrophobicContact CB-CG 4.4Å; L545-W587 HydrophobicContact CB-CH2 4.14Å; L545-W587 HydrophobicContact CB-CZ2 3.69Å; L545-W587 HydrophobicContact CB-CZ3 4.42Å; L545-W587 HydrophobicContact CD1-CB 4.38Å; L545-W587 HydrophobicContact CD1-CD2 3.92Å; L545-W587 HydrophobicContact CD1-CE3 4.18Å; L545-W587 HydrophobicContact CD1-CG 3.97Å; L545-W587 HydrophobicContact CG-CD2 4.48Å; L545-W587 VanDerWaalsContact O-CZ2 3.26Å; L545-W587 WeakPolarHBondContact O-CZ2 3.2Å |
| 546 | S | 95 | Very high | 91.8 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.3 | -41.6 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | E542 L543 I544 A548 L549 E550 W587 | E542-S546 WeakPolarHBondContact O-CB 3.34Å; E542-S546 PolarHBondContact O-N 2.8Å; E542-S546 PolarHBondContact O-OG 2.96Å; L543-S546 WeakPolarHBondContact O-CB 3.16Å; L543-S546 PolarHBondContact O-N 3.3Å; L543-S546 VanDerWaalsContact O-N 3.1Å; I544-S546 VanDerWaalsContact C-N 3.28Å; I544-S546 PolarHBondContact O-N 3.06Å; S546-A548 VanDerWaalsContact C-N 3.33Å; S546-L549 WeakPolarHBondContact O-CB 3.11Å; S546-L549 PolarHBondContact O-N 3.04Å; S546-E550 WeakPolarHBondContact O-CG 3.1Å; S546-E550 PolarHBondContact O-N 3.09Å; S546-W587 PolarHBondContact OG-NE1 3.42Å |
| 547 | V | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 172.2 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | L496 L499 I517 L522 P524 L543 I544 L549 E550 H551 | L496-V547 HydrophobicContact CD2-CG1 3.95Å; L499-V547 HydrophobicContact CD2-CG1 4.08Å; I517-V547 HydrophobicContact CD1-CB 4.12Å; I517-V547 HydrophobicContact CD1-CG1 4.34Å; I517-V547 HydrophobicContact CD1-CG2 3.82Å; I517-V547 HydrophobicContact CG1-CG1 4.31Å; I517-V547 HydrophobicContact CG1-CG2 4.06Å; I517-V547 HydrophobicContact CG2-CG2 3.86Å; L522-V547 HydrophobicContact CB-CG1 4.4Å; L522-V547 WeakPolarHBondContact O-CG2 3.19Å; P524-V547 HydrophobicContact CG-CG2 3.77Å; L543-V547 WeakPolarHBondContact O-CG2 3.25Å; L543-V547 PolarHBondContact O-N 3.5Å; I544-V547 PolarHBondContact O-N 3.41Å; V547-L549 VanDerWaalsContact C-N 3.28Å; V547-L549 PolarHBondContact O-N 3.37Å; V547-E550 PolarHBondContact O-N 2.64Å; V547-H551 PolarHBondContact O-CD2 3.38Å; V547-H551 PolarHBondContact O-N 2.89Å |
| 548 | A | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -33.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I544 L545 S546 N552 C553 L556 L557 | I544-A548 VanDerWaalsContact O-CB 3.29Å; I544-A548 WeakPolarHBondContact O-CB 3.35Å; I544-A548 PolarHBondContact O-N 3.11Å; L545-A548 PolarHBondContact O-N 3.36Å; S546-A548 VanDerWaalsContact C-N 3.33Å; A548-N552 PolarHBondContact O-N 3.02Å; A548-C553 HydrophobicContact CB-CB 3.88Å; A548-C553 WeakPolarHBondContact O-CA 3.04Å; A548-C553 WeakPolarHBondContact O-CB 3.29Å; A548-C553 PolarHBondContact O-N 2.66Å; A548-L556 HydrophobicContact CB-CD2 4.16Å; A548-L557 HydrophobicContact CB-CD2 3.96Å; A548-L557 HydrophobicContact CB-CG 4.15Å |
| 549 | L | 95.4 | Very high | 93 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.8 | -50 | 173 | -176.1 | 68.7 | 0 | 0 | 0 | 112.2 | L545 S546 V547 H551 N552 L557 W587 R591 Q628 E631 L632 | L545-L549 PolarHBondContact O-N 3.42Å; S546-L549 WeakPolarHBondContact O-CB 3.11Å; S546-L549 PolarHBondContact O-N 3.04Å; V547-L549 VanDerWaalsContact C-N 3.28Å; V547-L549 PolarHBondContact O-N 3.37Å; L549-H551 PolarHBondContact O-N 3.34Å; L549-N552 PolarHBondContact O-N 3.33Å; L549-L557 HydrophobicContact CB-CD1 4.5Å; L549-L557 HydrophobicContact CD1-CD1 4.39Å; L549-W587 HydrophobicContact CB-CH2 4.09Å; L549-W587 HydrophobicContact CB-CZ2 4.12Å; L549-W587 HydrophobicContact CD2-CH2 4.25Å; L549-W587 HydrophobicContact CD2-CZ2 4.17Å; L549-R591 HydrophobicContact CD2-CG 3.66Å; L549-Q628 HydrophobicContact CD2-CB 4.13Å; L549-Q628 HydrophobicContact CG-CB 4.18Å; L549-Q628 HydrophobicContact CG-CG 4.37Å; L549-E631 HydrophobicContact CD1-CB 4.11Å; L549-L632 HydrophobicContact CD1-CD2 3.96Å; L549-L632 HydrophobicContact CD1-CG 3.97Å; L549-L632 HydrophobicContact CD2-CD1 4.03Å; L549-L632 HydrophobicContact CD2-CD2 3.84Å; L549-L632 HydrophobicContact CD2-CG 3.84Å |
| 550 | E | 92.8 | Very high | 93.2 | Very high | 35 Ų | 35 | 21.3 Ų | 21.3 | 16% | 0.164 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.8 | -27.5 | -174.9 | -70.7 | -174.9 | -145.6 | 0 | 0 | 113.1 | P524 Q525 S546 V547 R591 | P524-E550 WeakPolarHBondContact CA-OE1 3.46Å; P524-E550 WeakPolarHBondContact CB-OE1 3.41Å; Q525-E550 PolarHBondContact N-OE1 3.49Å; Q525-E550 PolarHBondContact N-OE2 3.23Å; Q525-E550 VanDerWaalsContact N-OE2 3.14Å; S546-E550 WeakPolarHBondContact O-CG 3.1Å; S546-E550 PolarHBondContact O-N 3.09Å; V547-E550 PolarHBondContact O-N 2.64Å; E550-R591 VanDerWaalsContact CD-NH2 3.32Å; E550-R591 IonicContact OE1-CZ 2.64Å; E550-R591 IonicContact OE1-NH1 3.18Å; E550-R591 PolarHBondContact OE1-NH1 3.08Å; E550-R591 IonicContact OE1-NH2 2.7Å; E550-R591 PolarHBondContact OE1-NH2 2.89Å |
| 551 | H | 92 | Very high | 93.3 | Very high | 32 Ų | 32 | 20.6 Ų | 20.6 | 15% | 0.148 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 20.8 | 178.7 | -60.6 | -66.9 | 0 | 0 | 0 | 114.4 | F456 L496 R500 V547 L549 C553 | F456-H551 AromaticContact CZ-CE1 3.65Å; L496-H551 HydrophobicContact CD1-CB 3.96Å; L496-H551 HydrophobicContact CD2-CB 3.74Å; L496-H551 HydrophobicContact CG-CB 4.41Å; R500-H551 PolarHBondContact NE-O 3.37Å; R500-H551 PolarHBondContact NH2-O 2.91Å; V547-H551 PolarHBondContact O-CD2 3.38Å; V547-H551 PolarHBondContact O-N 2.89Å; L549-H551 PolarHBondContact O-N 3.34Å; H551-C553 PolarHBondContact O-N 3.46Å |
| 552 | N | 90.9 | Very high | 93.2 | Very high | 114 Ų | 114 | 25.2 Ų | 25.2 | 61% | 0.61 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 36.5 | 173.1 | -63.4 | -36.4 | 0 | 0 | 0 | 115.2 | A548 L549 G554 | A548-N552 PolarHBondContact O-N 3.02Å; L549-N552 PolarHBondContact O-N 3.33Å; N552-G554 PolarHBondContact O-N 2.91Å |
| 553 | C | 93.5 | Very high | 93 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | trans | -77.1 | 48.5 | 174.9 | -51.4 | 0 | 0 | 0 | 0 | 112 | R500 A548 H551 A555 L556 L557 | R500-C553 HydrophobicContact CG-CB 4.07Å; R500-C553 VanDerWaalsContact CG-SG 3.55Å; A548-C553 HydrophobicContact CB-CB 3.88Å; A548-C553 WeakPolarHBondContact O-CA 3.04Å; A548-C553 WeakPolarHBondContact O-CB 3.29Å; A548-C553 PolarHBondContact O-N 2.66Å; H551-C553 PolarHBondContact O-N 3.46Å; C553-A555 PolarHBondContact O-N 3.17Å; C553-A555 VanDerWaalsContact O-N 3.14Å; C553-L556 PolarHBondContact O-N 3.45Å; C553-L556 VanDerWaalsContact O-N 3.17Å; C553-L557 PolarHBondContact O-N 2.97Å | ||
| 554 | G | 92.7 | Very high | 92.9 | Very high | 21 Ų | 21 | 23.1 Ų | 23.1 | 22% | 0.216 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.9 | -23 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N552 N558 | N552-G554 PolarHBondContact O-N 2.91Å; G554-N558 WeakPolarHBondContact O-CB 3.49Å; G554-N558 VanDerWaalsContact O-CG 3.22Å; G554-N558 PolarHBondContact O-N 3.26Å; G554-N558 PolarHBondContact O-ND2 3.47Å |
| 555 | A | 92.3 | Very high | 92.4 | Very high | 69 Ų | 69 | 24.1 Ų | 24.1 | 57% | 0.57 | 14% | 0.135 | S | C | * | . | H | α-helix | trans | -62.9 | -50.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C553 N558 D559 | C553-A555 PolarHBondContact O-N 3.17Å; C553-A555 VanDerWaalsContact O-N 3.14Å; A555-N558 PolarHBondContact O-N 2.95Å; A555-D559 PolarHBondContact O-N 3.24Å |
| 556 | L | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 174.9 | 172 | 62.1 | 0 | 0 | 0 | 111.3 | L499 L506 F507 A548 C553 N558 D559 C560 | L499-L556 HydrophobicContact CD1-CD2 3.78Å; L499-L556 HydrophobicContact CG-CD2 4.07Å; L506-L556 HydrophobicContact CD2-CD1 3.6Å; L506-L556 HydrophobicContact CD2-CD2 3.74Å; L506-L556 HydrophobicContact CD2-CG 4.33Å; F507-L556 HydrophobicContact CE2-CD1 4.43Å; A548-L556 HydrophobicContact CB-CD2 4.16Å; C553-L556 PolarHBondContact O-N 3.45Å; C553-L556 VanDerWaalsContact O-N 3.17Å; L556-N558 VanDerWaalsContact C-N 3.34Å; L556-N558 PolarHBondContact O-N 3Å; L556-D559 CarbonylContact O-C 3.56Å; L556-D559 PolarHBondContact O-N 2.8Å; L556-C560 PolarHBondContact O-N 3.49Å; L556-C560 PolarHBondContact O-SG 3.28Å; L556-C560 VanDerWaalsContact O-SG 3.39Å |
| 557 | L | 95.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 179.6 | -66.3 | 175.8 | 0 | 0 | 0 | 112.5 | L545 A548 L549 C553 D559 C560 A561 W587 L635 | L545-L557 HydrophobicContact CD2-CD2 3.69Å; A548-L557 HydrophobicContact CB-CD2 3.96Å; A548-L557 HydrophobicContact CB-CG 4.15Å; L549-L557 HydrophobicContact CB-CD1 4.5Å; L549-L557 HydrophobicContact CD1-CD1 4.39Å; C553-L557 PolarHBondContact O-N 2.97Å; L557-D559 VanDerWaalsContact C-N 3.3Å; L557-D559 PolarHBondContact O-N 3.45Å; L557-C560 PolarHBondContact O-N 3.32Å; L557-A561 PolarHBondContact O-N 2.99Å; L557-W587 HydrophobicContact CD2-CH2 4.18Å; L557-W587 HydrophobicContact CD2-CZ3 4.37Å; L557-L635 HydrophobicContact CB-CD1 4.03Å; L557-L635 HydrophobicContact CB-CD2 4.1Å; L557-L635 HydrophobicContact CD1-CD2 4.49Å; L557-L635 WeakPolarHBondContact O-CD1 3.1Å |
| 558 | N | 94.1 | Very high | 89.2 | Confident | 37 Ų | 37 | 31.3 Ų | 31.3 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.4 | -25.7 | 175.3 | -72.1 | -36.2 | 0 | 0 | 0 | 113 | G554 A555 L556 R562 Y638 | G554-N558 WeakPolarHBondContact O-CB 3.49Å; G554-N558 VanDerWaalsContact O-CG 3.22Å; G554-N558 PolarHBondContact O-N 3.26Å; G554-N558 PolarHBondContact O-ND2 3.47Å; A555-N558 PolarHBondContact O-N 2.95Å; L556-N558 VanDerWaalsContact C-N 3.34Å; L556-N558 PolarHBondContact O-N 3Å; N558-R562 WeakPolarHBondContact O-CB 3.2Å; N558-R562 PolarHBondContact O-N 3.31Å; N558-R562 VanDerWaalsContact O-N 3.11Å; N558-Y638 HydrophobicContact CB-CD1 4.22Å; N558-Y638 HydrophobicContact CB-CE1 3.83Å; N558-Y638 VanDerWaalsContact O-CE1 3.27Å; N558-Y638 WeakPolarHBondContact O-CE1 3.49Å; N558-Y638 PolarHBondContact O-OH 3.35Å; N558-Y638 WeakPolarHBondContact OD1-CD1 3.36Å |
| 559 | D | 91.9 | Very high | 88 | Confident | 24 Ų | 24 | 32 Ų | 32 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -79.1 | -37.9 | 173.4 | -166.2 | 62.1 | 0 | 0 | 0 | 112.5 | R503 A504 A555 L556 L557 R562 S563 | R503-D559 WeakPolarHBondContact CA-OD2 3.29Å; R503-D559 WeakPolarHBondContact CB-OD2 3.48Å; A504-D559 PolarHBondContact N-OD2 3Å; A555-D559 PolarHBondContact O-N 3.24Å; L556-D559 CarbonylContact O-C 3.56Å; L556-D559 PolarHBondContact O-N 2.8Å; L557-D559 VanDerWaalsContact C-N 3.3Å; L557-D559 PolarHBondContact O-N 3.45Å; D559-R562 PolarHBondContact O-N 3Å; D559-R562 IonicContact OD1-CZ 2.68Å; D559-R562 IonicContact OD1-NH1 2.79Å; D559-R562 PolarHBondContact OD1-NH1 2.87Å; D559-S563 VanDerWaalsContact O-CB 3.29Å; D559-S563 WeakPolarHBondContact O-CB 3.35Å; D559-S563 PolarHBondContact O-N 3.35Å; D559-S563 PolarHBondContact O-OG 3.33Å |
| 560 | C | 92.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -48.3 | 167.9 | -68.8 | 0 | 0 | 0 | 0 | 111 | F507 L556 L557 R562 S563 W564 | F507-C560 WeakPolarHBondContact CE2-SG 3.16Å; L556-C560 PolarHBondContact O-N 3.49Å; L556-C560 PolarHBondContact O-SG 3.28Å; L556-C560 VanDerWaalsContact O-SG 3.39Å; L557-C560 PolarHBondContact O-N 3.32Å; C560-R562 PolarHBondContact O-N 3.01Å; C560-S563 PolarHBondContact O-N 2.97Å; C560-W564 HydrophobicContact CB-CD2 4.41Å; C560-W564 HydrophobicContact CB-CH2 4.25Å; C560-W564 HydrophobicContact CB-CZ2 4.07Å; C560-W564 WeakPolarHBondContact O-CB 3.21Å; C560-W564 VanDerWaalsContact O-CG 3.25Å; C560-W564 PolarHBondContact O-N 2.93Å |
| 561 | A | 91.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.4 | -50.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L557 S563 M565 L584 L635 Y638 I639 | L557-A561 PolarHBondContact O-N 2.99Å; A561-S563 PolarHBondContact O-N 3.05Å; A561-M565 VanDerWaalsContact C-CE 3.46Å; A561-M565 HydrophobicContact CB-CE 4.22Å; A561-M565 WeakPolarHBondContact O-CB 3.27Å; A561-M565 WeakPolarHBondContact O-CE 3.29Å; A561-M565 VanDerWaalsContact O-CG 3.3Å; A561-M565 WeakPolarHBondContact O-CG 3.4Å; A561-M565 PolarHBondContact O-N 3.19Å; A561-L584 HydrophobicContact CB-CD2 3.76Å; A561-L635 HydrophobicContact CB-CD1 4.05Å; A561-Y638 HydrophobicContact CB-CD1 4.13Å; A561-Y638 HydrophobicContact CB-CE1 4.06Å; A561-I639 HydrophobicContact CB-CD1 4.33Å; A561-I639 HydrophobicContact CB-CG1 3.79Å |
| 562 | R | 89.4 | Confident | 83.1 | Confident | 104 Ų | 104 | 39.2 Ų | 39.2 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 178.7 | -173.6 | -174.2 | -60.1 | 119.4 | 1.6 | 112.3 | N558 D559 C560 Y638 | N558-R562 WeakPolarHBondContact O-CB 3.2Å; N558-R562 PolarHBondContact O-N 3.31Å; N558-R562 VanDerWaalsContact O-N 3.11Å; D559-R562 PolarHBondContact O-N 3Å; D559-R562 IonicContact OD1-CZ 2.68Å; D559-R562 IonicContact OD1-NH1 2.79Å; D559-R562 PolarHBondContact OD1-NH1 2.87Å; C560-R562 PolarHBondContact O-N 3.01Å; R562-Y638 PolarHBondContact NE-OH 2.89Å; R562-Y638 PolarHBondContact NH2-OH 3.44Å |
| 563 | S | 87.1 | Confident | 81.2 | Confident | 18 Ų | 18 | 42.9 Ų | 42.9 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -85.4 | -16.4 | -169.3 | -48.3 | 0 | 0 | 0 | 0 | 114.1 | D559 C560 A561 D566 S568 F569 | D559-S563 VanDerWaalsContact O-CB 3.29Å; D559-S563 WeakPolarHBondContact O-CB 3.35Å; D559-S563 PolarHBondContact O-N 3.35Å; D559-S563 PolarHBondContact O-OG 3.33Å; C560-S563 PolarHBondContact O-N 2.97Å; A561-S563 PolarHBondContact O-N 3.05Å; S563-D566 VanDerWaalsContact O-OD1 3.04Å; S563-S568 PolarHBondContact O-OG 3.26Å; S563-F569 WeakPolarHBondContact O-CD2 3.37Å |
| 564 | W | 89 | Confident | 79.6 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -98.6 | -9.7 | 173.2 | -54.7 | -9.9 | 0 | 0 | 0 | 112.3 | F507 L545 C560 F569 L579 L581 L584 | F507-W564 HydrophobicContact CB-CZ2 4.36Å; F507-W564 HydrophobicContact CD1-CH2 4.04Å; F507-W564 AromaticContact CD1-CZ2 3.87Å; F507-W564 HydrophobicContact CD1-CZ2 3.87Å; F507-W564 AromaticContact CD2-CZ2 3.92Å; F507-W564 HydrophobicContact CD2-CZ2 3.92Å; F507-W564 AromaticContact CE1-CH2 3.95Å; F507-W564 HydrophobicContact CE1-CH2 3.95Å; F507-W564 HydrophobicContact CE1-CZ2 4.14Å; F507-W564 HydrophobicContact CE2-CZ2 4.18Å; F507-W564 HydrophobicContact CG-CH2 4.41Å; F507-W564 AromaticContact CG-CZ2 3.79Å; F507-W564 HydrophobicContact CG-CZ2 3.79Å; F507-W564 HydrophobicContact CZ-CH2 4.21Å; F507-W564 HydrophobicContact CZ-CZ2 4.3Å; L545-W564 HydrophobicContact CD1-CH2 4.13Å; L545-W564 HydrophobicContact CD1-CZ3 4.22Å; L545-W564 HydrophobicContact CD2-CH2 4.19Å; C560-W564 HydrophobicContact CB-CD2 4.41Å; C560-W564 HydrophobicContact CB-CH2 4.25Å; C560-W564 HydrophobicContact CB-CZ2 4.07Å; C560-W564 WeakPolarHBondContact O-CB 3.21Å; C560-W564 VanDerWaalsContact O-CG 3.25Å; C560-W564 PolarHBondContact O-N 2.93Å; W564-F569 AromaticContact CD1-CD2 3.77Å; W564-F569 AromaticContact CD1-CG 3.7Å; W564-F569 AromaticContact NE1-CD1 3.84Å; W564-F569 AromaticContact NE1-CG 3.82Å; W564-L579 HydrophobicContact CD2-CB 4.19Å; W564-L579 HydrophobicContact CE3-CD2 4.48Å; W564-L579 HydrophobicContact CG-CB 4.44Å; W564-L579 HydrophobicContact CH2-CD2 3.79Å; W564-L579 HydrophobicContact CZ2-CD1 4.04Å; W564-L579 HydrophobicContact CZ2-CD2 3.83Å; W564-L579 HydrophobicContact CZ2-CG 4.36Å; W564-L579 HydrophobicContact CZ3-CD2 4.11Å; W564-L581 PolarHBondContact O-N 3.28Å; W564-L581 VanDerWaalsContact O-N 3.17Å; W564-L584 HydrophobicContact CE3-CB 3.88Å; W564-L584 HydrophobicContact CZ3-CB 4.03Å; W564-L584 HydrophobicContact CZ3-CD1 4.05Å |
| 565 | M | 84.5 | Confident | 77.9 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -75.9 | -28.3 | 168.2 | -87.8 | -172.5 | -78.8 | 0 | 0 | 113.9 | A561 L581 Q642 | A561-M565 VanDerWaalsContact C-CE 3.46Å; A561-M565 HydrophobicContact CB-CE 4.22Å; A561-M565 WeakPolarHBondContact O-CB 3.27Å; A561-M565 WeakPolarHBondContact O-CE 3.29Å; A561-M565 VanDerWaalsContact O-CG 3.3Å; A561-M565 WeakPolarHBondContact O-CG 3.4Å; A561-M565 PolarHBondContact O-N 3.19Å; M565-L581 HydrophobicContact CG-CD1 3.91Å; M565-L581 HydrophobicContact CG-CD2 4.1Å; M565-L581 HydrophobicContact CG-CG 4.42Å; M565-Q642 HydrophobicContact CE-CB 3.64Å; M565-Q642 HydrophobicContact CE-CG 4.22Å; M565-Q642 HydrophobicContact SD-CB 4.03Å |
| 566 | D | 75.9 | Confident | 76.5 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -90.6 | -4.5 | -179.7 | 62.4 | 35.2 | 0 | 0 | 0 | 114.4 | S563 S568 | S563-D566 VanDerWaalsContact O-OD1 3.04Å; D566-S568 VanDerWaalsContact C-N 3.25Å; D566-S568 PolarHBondContact O-N 2.92Å; D566-S568 WeakPolarHBondContact OD1-CB 3.33Å; D566-S568 PolarHBondContact OD1-N 3.33Å; D566-S568 PolarHBondContact OD1-OG 2.82Å |
| 567 | G | 72.3 | Confident | 75.2 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | trans | 76.7 | 1.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | F569 L570 C571 | G567-F569 PolarHBondContact O-N 2.71Å; G567-F569 VanDerWaalsContact O-N 3.12Å; G567-L570 WeakPolarHBondContact O-CB 3.47Å; G567-L570 PolarHBondContact O-N 3.26Å; G567-C571 PolarHBondContact O-N 3.48Å | ||
| 568 | S | 70.4 | Confident | 74.3 | Confident | 61 Ų | 61 | 59.6 Ų | 59.6 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.2 | -178 | 56 | 0 | 0 | 0 | 0 | 113.8 | S563 D566 | S563-S568 PolarHBondContact O-OG 3.26Å; D566-S568 VanDerWaalsContact C-N 3.25Å; D566-S568 PolarHBondContact O-N 2.92Å; D566-S568 WeakPolarHBondContact OD1-CB 3.33Å; D566-S568 PolarHBondContact OD1-N 3.33Å; D566-S568 PolarHBondContact OD1-OG 2.82Å |
| 569 | F | 70.1 | Confident | 73.7 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -18.7 | 177.6 | -77.7 | -108.1 | 0 | 0 | 0 | 114.5 | A504 T505 L508 S563 W564 G567 T577 L579 | A504-F569 HydrophobicContact CB-CE2 4.31Å; A504-F569 HydrophobicContact CB-CZ 3.95Å; A504-F569 VanDerWaalsContact O-CE1 3.22Å; A504-F569 WeakPolarHBondContact O-CE1 3.42Å; A504-F569 WeakPolarHBondContact O-CZ 3.38Å; T505-F569 HydrophobicContact CG2-CZ 4.2Å; L508-F569 HydrophobicContact CD2-CD1 3.84Å; L508-F569 HydrophobicContact CD2-CE1 3.75Å; L508-F569 HydrophobicContact CG-CE1 4Å; S563-F569 WeakPolarHBondContact O-CD2 3.37Å; W564-F569 AromaticContact CD1-CD2 3.77Å; W564-F569 AromaticContact CD1-CG 3.7Å; W564-F569 AromaticContact NE1-CD1 3.84Å; W564-F569 AromaticContact NE1-CG 3.82Å; G567-F569 PolarHBondContact O-N 2.71Å; G567-F569 VanDerWaalsContact O-N 3.12Å; F569-T577 PolarHBondContact O-OG1 3.17Å; F569-L579 HydrophobicContact CB-CB 4.05Å; F569-L579 HydrophobicContact CD1-CD1 4.03Å |
| 570 | L | 62 | Low | 73.4 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -32.1 | 172.4 | -70.8 | 176.6 | 0 | 0 | 0 | 112.4 | G567 L579 | G567-L570 WeakPolarHBondContact O-CB 3.47Å; G567-L570 PolarHBondContact O-N 3.26Å; L570-L579 WeakPolarHBondContact CD2-O 3.46Å; L570-L579 WeakPolarHBondContact CG-O 3.38Å |
| 571 | C | 54.3 | Low | 73.2 | Confident | 103 Ų | 103 | 58.5 Ų | 58.5 | 70% | 0.696 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -100.6 | 15.4 | -175.4 | -63 | 0 | 0 | 0 | 0 | 113.7 | G567 M573 | G567-C571 PolarHBondContact O-N 3.48Å; C571-M573 PolarHBondContact O-N 3.16Å |
| 572 | N | 59.9 | Low | 73 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | trans | -71.3 | 98.4 | 178.6 | -167.4 | -20.2 | 0 | 0 | 0 | 110.6 | L508 I574 D575 | L508-N572 WeakPolarHBondContact CD2-ND2 3.47Å; N572-I574 PolarHBondContact O-N 3.13Å; N572-D575 CarbonylContact O-C 3.33Å; N572-D575 PolarHBondContact O-N 3.4Å | ||
| 573 | M | 51.5 | Low | 72.9 | Confident | 191 Ų | 191 | 58.5 Ų | 58.5 | 94% | 0.941 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -6.8 | -170.6 | -58.3 | -158.5 | -58.8 | 0 | 0 | 115.7 | C571 | C571-M573 PolarHBondContact O-N 3.16Š|
| 574 | I | 59.8 | Low | 73.2 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 64% | 0.641 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -28.9 | -176.9 | -64.4 | 170 | 0 | 0 | 0 | 112.1 | N572 | N572-I574 PolarHBondContact O-N 3.13Š|
| 575 | D | 57.9 | Low | 73.4 | Confident | 76 Ų | 76 | 58 Ų | 58 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | trans | -161.8 | 113.3 | 176.3 | -158.2 | -8.9 | 0 | 0 | 0 | 108.8 | K537 N572 T577 | K537-D575 IonicContact NZ-OD1 3.11Å; K537-D575 PolarHBondContact NZ-OD1 2.87Å; K537-D575 IonicContact NZ-OD2 2.75Å; K537-D575 PolarHBondContact NZ-OD2 2.93Å; N572-D575 CarbonylContact O-C 3.33Å; N572-D575 PolarHBondContact O-N 3.4Å; D575-T577 PolarHBondContact O-N 3.17Å | ||
| 576 | N | 62.9 | Low | 73.7 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 57% | 0.572 | 34% | 0.339 | S | S | * | . | trans | -78.8 | 95.1 | -174.1 | -172.6 | -16.4 | 0 | 0 | 0 | 110.5 | Q578 | N576-Q578 VanDerWaalsContact C-N 3.28Å; N576-Q578 PolarHBondContact O-N 3.1Å; N576-Q578 PolarHBondContact OD1-N 3.4Å | ||
| 577 | T | 67.5 | Low | 74.6 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 6% | 0.055 | 32% | 0.319 | C | S | . | . | trans | -70.7 | -15.4 | -170.5 | 66 | 0 | 0 | 0 | 0 | 115.5 | L508 F569 D575 L579 | L508-T577 HydrophobicContact CD2-CG2 3.82Å; F569-T577 PolarHBondContact O-OG1 3.17Å; D575-T577 PolarHBondContact O-N 3.17Å; T577-L579 HydrophobicContact CG2-CD1 4.27Å; T577-L579 PolarHBondContact O-N 2.84Å; T577-L579 VanDerWaalsContact O-N 3.11Å; T577-L579 WeakPolarHBondContact OG1-CB 3.33Å; T577-L579 WeakPolarHBondContact OG1-CG 3.26Å; T577-L579 PolarHBondContact OG1-N 3.33Å | ||
| 578 | Q | 75.7 | Confident | 75.7 | Confident | 134 Ų | 134 | 55.9 Ų | 55.9 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | trans | 57.1 | 14.5 | -169.6 | -51.9 | -178.8 | 1.5 | 0 | 0 | 114.5 | N576 S580 T583 | N576-Q578 VanDerWaalsContact C-N 3.28Å; N576-Q578 PolarHBondContact O-N 3.1Å; N576-Q578 PolarHBondContact OD1-N 3.4Å; Q578-S580 PolarHBondContact O-N 2.76Å; Q578-T583 PolarHBondContact O-OG1 3.37Å | ||
| 579 | L | 82.3 | Confident | 76.9 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -77.9 | 121.1 | 177.8 | -67.4 | 168.1 | 0 | 0 | 0 | 110.6 | F507 Y541 W564 F569 L570 T577 T583 | F507-L579 HydrophobicContact CB-CD1 3.57Å; F507-L579 HydrophobicContact CG-CD1 4.36Å; Y541-L579 HydrophobicContact CD2-CD2 3.5Å; Y541-L579 HydrophobicContact CD2-CG 4.28Å; Y541-L579 HydrophobicContact CE1-CD1 4.43Å; Y541-L579 HydrophobicContact CE2-CD1 4.19Å; Y541-L579 HydrophobicContact CE2-CD2 3.62Å; Y541-L579 HydrophobicContact CE2-CG 3.87Å; Y541-L579 HydrophobicContact CG-CD2 4.06Å; W564-L579 HydrophobicContact CD2-CB 4.19Å; W564-L579 HydrophobicContact CE3-CD2 4.48Å; W564-L579 HydrophobicContact CG-CB 4.44Å; W564-L579 HydrophobicContact CH2-CD2 3.79Å; W564-L579 HydrophobicContact CZ2-CD1 4.04Å; W564-L579 HydrophobicContact CZ2-CD2 3.83Å; W564-L579 HydrophobicContact CZ2-CG 4.36Å; W564-L579 HydrophobicContact CZ3-CD2 4.11Å; F569-L579 HydrophobicContact CB-CB 4.05Å; F569-L579 HydrophobicContact CD1-CD1 4.03Å; L570-L579 WeakPolarHBondContact CD2-O 3.46Å; L570-L579 WeakPolarHBondContact CG-O 3.38Å; T577-L579 HydrophobicContact CG2-CD1 4.27Å; T577-L579 PolarHBondContact O-N 2.84Å; T577-L579 VanDerWaalsContact O-N 3.11Å; T577-L579 WeakPolarHBondContact OG1-CB 3.33Å; T577-L579 WeakPolarHBondContact OG1-CG 3.26Å; T577-L579 PolarHBondContact OG1-N 3.33Å; L579-T583 HydrophobicContact CD2-CG2 4.23Å | ||
| 580 | S | 85.6 | Confident | 78 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | trans | -144 | 172.7 | -178.9 | 67.7 | 0 | 0 | 0 | 0 | 110.7 | Q578 S582 T583 L584 | Q578-S580 PolarHBondContact O-N 2.76Å; S580-S582 PolarHBondContact O-N 3.38Å; S580-S582 PolarHBondContact OG-N 3.45Å; S580-S582 PolarHBondContact OG-OG 3.49Å; S580-T583 PolarHBondContact N-OG1 2.92Å; S580-T583 VanDerWaalsContact O-CB 3.3Å; S580-T583 WeakPolarHBondContact O-CB 3.43Å; S580-T583 PolarHBondContact O-N 2.91Å; S580-T583 VanDerWaalsContact O-N 3.13Å; S580-T583 PolarHBondContact O-OG1 2.79Å; S580-T583 PolarHBondContact OG-N 3.29Å; S580-T583 PolarHBondContact OG-OG1 3.27Å; S580-T583 VanDerWaalsContact OG-OG1 3.06Å; S580-L584 PolarHBondContact O-N 3.45Å | ||
| 581 | L | 87.5 | Confident | 79.5 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.4 | -38.4 | 171.5 | -179.4 | 61.2 | 0 | 0 | 0 | 112.6 | W564 M565 T583 L584 T585 I639 L647 I651 | W564-L581 PolarHBondContact O-N 3.28Å; W564-L581 VanDerWaalsContact O-N 3.17Å; M565-L581 HydrophobicContact CG-CD1 3.91Å; M565-L581 HydrophobicContact CG-CD2 4.1Å; M565-L581 HydrophobicContact CG-CG 4.42Å; L581-T583 VanDerWaalsContact C-N 3.31Å; L581-T583 PolarHBondContact O-N 3.45Å; L581-L584 PolarHBondContact O-N 3.07Å; L581-L584 VanDerWaalsContact O-N 3.13Å; L581-T585 HydrophobicContact CD1-CG2 4.11Å; L581-T585 HydrophobicContact CG-CG2 4.23Å; L581-T585 PolarHBondContact O-N 3.27Å; L581-T585 PolarHBondContact O-OG1 3.37Å; L581-I639 HydrophobicContact CD1-CD1 4.24Å; L581-I639 HydrophobicContact CD1-CG1 4.36Å; L581-I639 HydrophobicContact CD1-CG2 3.8Å; L581-I639 HydrophobicContact CD2-CG2 4.48Å; L581-L647 HydrophobicContact CD2-CD1 3.67Å; L581-L647 HydrophobicContact CD2-CD2 3.87Å; L581-L647 HydrophobicContact CD2-CG 4.45Å; L581-I651 HydrophobicContact CD2-CG2 4.18Å |
| 582 | S | 87.8 | Confident | 81.5 | Confident | 65 Ų | 65 | 48.9 Ų | 48.9 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -33.3 | 179.8 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | S580 L584 T585 N586 | S580-S582 PolarHBondContact O-N 3.38Å; S580-S582 PolarHBondContact OG-N 3.45Å; S580-S582 PolarHBondContact OG-OG 3.49Å; S582-L584 PolarHBondContact O-N 2.85Å; S582-T585 WeakPolarHBondContact CA-OG1 3.4Å; S582-T585 PolarHBondContact O-N 3.17Å; S582-T585 PolarHBondContact O-OG1 3.46Å; S582-N586 VanDerWaalsContact O-CB 3.24Å; S582-N586 WeakPolarHBondContact O-CB 3.42Å; S582-N586 PolarHBondContact O-N 2.9Å; S582-N586 PolarHBondContact O-OD1 3.28Å |
| 583 | T | 87.6 | Confident | 83.1 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 24% | 0.239 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 172.3 | -37 | 0 | 0 | 0 | 0 | 111.2 | Q578 L579 S580 L581 W587 | Q578-T583 PolarHBondContact O-OG1 3.37Å; L579-T583 HydrophobicContact CD2-CG2 4.23Å; S580-T583 PolarHBondContact N-OG1 2.92Å; S580-T583 VanDerWaalsContact O-CB 3.3Å; S580-T583 WeakPolarHBondContact O-CB 3.43Å; S580-T583 PolarHBondContact O-N 2.91Å; S580-T583 VanDerWaalsContact O-N 3.13Å; S580-T583 PolarHBondContact O-OG1 2.79Å; S580-T583 PolarHBondContact OG-N 3.29Å; S580-T583 PolarHBondContact OG-OG1 3.27Å; S580-T583 VanDerWaalsContact OG-OG1 3.06Å; L581-T583 VanDerWaalsContact C-N 3.31Å; L581-T583 PolarHBondContact O-N 3.45Å; T583-W587 WeakPolarHBondContact O-CB 3.46Å; T583-W587 PolarHBondContact O-N 2.91Å |
| 584 | L | 92.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -75.9 | -45.5 | 177.8 | -169.9 | 64.9 | 0 | 0 | 0 | 112.6 | L545 A561 W564 S580 L581 S582 N586 W587 I588 I639 | L545-L584 HydrophobicContact CD1-CD1 4.19Å; L545-L584 HydrophobicContact CD2-CD1 4.05Å; A561-L584 HydrophobicContact CB-CD2 3.76Å; W564-L584 HydrophobicContact CE3-CB 3.88Å; W564-L584 HydrophobicContact CZ3-CB 4.03Å; W564-L584 HydrophobicContact CZ3-CD1 4.05Å; S580-L584 PolarHBondContact O-N 3.45Å; L581-L584 PolarHBondContact O-N 3.07Å; L581-L584 VanDerWaalsContact O-N 3.13Å; S582-L584 PolarHBondContact O-N 2.85Å; L584-N586 VanDerWaalsContact C-N 3.33Å; L584-N586 PolarHBondContact O-N 2.88Å; L584-W587 HydrophobicContact CD1-CE3 3.83Å; L584-W587 HydrophobicContact CD1-CZ3 4.13Å; L584-W587 PolarHBondContact O-N 2.96Å; L584-I588 HydrophobicContact CG-CD1 4.19Å; L584-I588 VanDerWaalsContact O-CG1 3.31Å; L584-I588 WeakPolarHBondContact O-CG1 3.13Å; L584-I588 PolarHBondContact O-N 3.01Å; L584-I639 HydrophobicContact CD2-CD1 3.88Å; L584-I639 HydrophobicContact CG-CD1 4.44Å |
| 585 | T | 92.5 | Very high | 86.7 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -37.4 | -179.1 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | L581 S582 I588 L589 | L581-T585 HydrophobicContact CD1-CG2 4.11Å; L581-T585 HydrophobicContact CG-CG2 4.23Å; L581-T585 PolarHBondContact O-N 3.27Å; L581-T585 PolarHBondContact O-OG1 3.37Å; S582-T585 WeakPolarHBondContact CA-OG1 3.4Å; S582-T585 PolarHBondContact O-N 3.17Å; S582-T585 PolarHBondContact O-OG1 3.46Å; T585-I588 WeakPolarHBondContact O-CB 3.26Å; T585-I588 PolarHBondContact O-N 2.98Å; T585-L589 WeakPolarHBondContact O-CG 3.33Å; T585-L589 PolarHBondContact O-N 3.31Å |
| 586 | N | 91.6 | Very high | 88.4 | Confident | 75 Ų | 75 | 32.8 Ų | 32.8 | 40% | 0.401 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -70.4 | -37.9 | 178.3 | -63.1 | 18 | 0 | 0 | 0 | 110.5 | S582 L584 L589 K590 | S582-N586 VanDerWaalsContact O-CB 3.24Å; S582-N586 WeakPolarHBondContact O-CB 3.42Å; S582-N586 PolarHBondContact O-N 2.9Å; S582-N586 PolarHBondContact O-OD1 3.28Å; L584-N586 VanDerWaalsContact C-N 3.33Å; L584-N586 PolarHBondContact O-N 2.88Å; N586-L589 PolarHBondContact O-N 3.46Å; N586-K590 WeakPolarHBondContact O-CB 3.47Å; N586-K590 PolarHBondContact O-N 3.46Å |
| 587 | W | 94.2 | Very high | 89.7 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 2% | 0.023 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 170.2 | 168.2 | 80.9 | 0 | 0 | 0 | 112.1 | L545 S546 L549 L557 T583 L584 L589 K590 R591 L632 L635 | L545-W587 VanDerWaalsContact C-CZ2 3.46Å; L545-W587 HydrophobicContact CB-CD2 3.86Å; L545-W587 HydrophobicContact CB-CE3 4.3Å; L545-W587 HydrophobicContact CB-CG 4.4Å; L545-W587 HydrophobicContact CB-CH2 4.14Å; L545-W587 HydrophobicContact CB-CZ2 3.69Å; L545-W587 HydrophobicContact CB-CZ3 4.42Å; L545-W587 HydrophobicContact CD1-CB 4.38Å; L545-W587 HydrophobicContact CD1-CD2 3.92Å; L545-W587 HydrophobicContact CD1-CE3 4.18Å; L545-W587 HydrophobicContact CD1-CG 3.97Å; L545-W587 HydrophobicContact CG-CD2 4.48Å; L545-W587 VanDerWaalsContact O-CZ2 3.26Å; L545-W587 WeakPolarHBondContact O-CZ2 3.2Å; S546-W587 PolarHBondContact OG-NE1 3.42Å; L549-W587 HydrophobicContact CB-CH2 4.09Å; L549-W587 HydrophobicContact CB-CZ2 4.12Å; L549-W587 HydrophobicContact CD2-CH2 4.25Å; L549-W587 HydrophobicContact CD2-CZ2 4.17Å; L557-W587 HydrophobicContact CD2-CH2 4.18Å; L557-W587 HydrophobicContact CD2-CZ3 4.37Å; T583-W587 WeakPolarHBondContact O-CB 3.46Å; T583-W587 PolarHBondContact O-N 2.91Å; L584-W587 HydrophobicContact CD1-CE3 3.83Å; L584-W587 HydrophobicContact CD1-CZ3 4.13Å; L584-W587 PolarHBondContact O-N 2.96Å; W587-L589 PolarHBondContact O-N 3.43Å; W587-K590 PolarHBondContact O-N 3.33Å; W587-R591 HydrophobicContact CZ2-CG 4.42Å; W587-R591 WeakPolarHBondContact O-CB 3.47Å; W587-R591 PolarHBondContact O-N 3.46Å; W587-L632 HydrophobicContact CH2-CD2 3.81Å; W587-L632 HydrophobicContact CZ3-CD2 3.89Å; W587-L635 HydrophobicContact CZ3-CD2 3.98Å |
| 588 | I | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -56.3 | -48.9 | 175.4 | -72.1 | 167.4 | 0 | 0 | 0 | 110.7 | L584 T585 A592 L632 L635 I639 L662 | L584-I588 HydrophobicContact CG-CD1 4.19Å; L584-I588 VanDerWaalsContact O-CG1 3.31Å; L584-I588 WeakPolarHBondContact O-CG1 3.13Å; L584-I588 PolarHBondContact O-N 3.01Å; T585-I588 WeakPolarHBondContact O-CB 3.26Å; T585-I588 PolarHBondContact O-N 2.98Å; I588-A592 VanDerWaalsContact O-CB 3.28Å; I588-A592 WeakPolarHBondContact O-CB 3.5Å; I588-A592 PolarHBondContact O-N 2.85Å; I588-L632 HydrophobicContact CB-CD2 4.39Å; I588-L632 HydrophobicContact CG1-CD2 4.07Å; I588-L632 HydrophobicContact CG2-CB 4.45Å; I588-L632 HydrophobicContact CG2-CD2 4.29Å; I588-L635 HydrophobicContact CD1-CD2 3.83Å; I588-L635 HydrophobicContact CD1-CG 4.03Å; I588-L635 HydrophobicContact CG1-CD2 4.12Å; I588-I639 HydrophobicContact CD1-CD1 3.76Å; I588-L662 HydrophobicContact CG2-CD1 3.62Å; I588-L662 HydrophobicContact CG2-CD2 4.4Å |
| 589 | L | 95 | Very high | 91.6 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | -179.5 | -65.6 | 176.6 | 0 | 0 | 0 | 112 | T585 N586 W587 R591 A592 G593 N658 E1136 A1137 L1140 | T585-L589 WeakPolarHBondContact O-CG 3.33Å; T585-L589 PolarHBondContact O-N 3.31Å; N586-L589 PolarHBondContact O-N 3.46Å; W587-L589 PolarHBondContact O-N 3.43Å; L589-R591 PolarHBondContact O-N 3.47Å; L589-A592 PolarHBondContact O-N 2.84Å; L589-G593 PolarHBondContact O-N 3.39Å; L589-N658 HydrophobicContact CD2-CB 4.03Å; L589-E1136 HydrophobicContact CB-CB 4.39Å; L589-E1136 HydrophobicContact CD1-CB 3.67Å; L589-A1137 HydrophobicContact CD2-CB 4.33Å; L589-L1140 HydrophobicContact CB-CD1 4.44Å; L589-L1140 HydrophobicContact CD2-CD1 3.54Å |
| 590 | K | 93.3 | Very high | 91.9 | Very high | 96 Ų | 96 | 28.6 Ų | 28.6 | 42% | 0.417 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -55.2 | -49.7 | 175.1 | -175.5 | -173.8 | -169.9 | -177.3 | 0 | 111.6 | E542 N586 W587 G593 Q594 | E542-K590 WeakPolarHBondContact OE1-CD 3.4Å; E542-K590 IonicContact OE1-NZ 2.67Å; E542-K590 PolarHBondContact OE1-NZ 3.05Å; E542-K590 IonicContact OE2-NZ 3.18Å; E542-K590 PolarHBondContact OE2-NZ 3.04Å; N586-K590 WeakPolarHBondContact O-CB 3.47Å; N586-K590 PolarHBondContact O-N 3.46Å; W587-K590 PolarHBondContact O-N 3.33Å; K590-G593 PolarHBondContact O-N 3.3Å; K590-Q594 WeakPolarHBondContact O-CG 3.46Å; K590-Q594 PolarHBondContact O-N 3.32Å |
| 591 | R | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -40.6 | -179.2 | -176.2 | 65.2 | -165.4 | -149.8 | 7 | 111.8 | F526 L549 E550 W587 L589 G593 Q594 I595 L632 | F526-R591 VanDerWaalsContact CD2-CZ 3.43Å; L549-R591 HydrophobicContact CD2-CG 3.66Å; E550-R591 VanDerWaalsContact CD-NH2 3.32Å; E550-R591 IonicContact OE1-CZ 2.64Å; E550-R591 IonicContact OE1-NH1 3.18Å; E550-R591 PolarHBondContact OE1-NH1 3.08Å; E550-R591 IonicContact OE1-NH2 2.7Å; E550-R591 PolarHBondContact OE1-NH2 2.89Å; W587-R591 HydrophobicContact CZ2-CG 4.42Å; W587-R591 WeakPolarHBondContact O-CB 3.47Å; W587-R591 PolarHBondContact O-N 3.46Å; L589-R591 PolarHBondContact O-N 3.47Å; R591-G593 VanDerWaalsContact C-N 3.29Å; R591-G593 PolarHBondContact O-N 3.11Å; R591-Q594 PolarHBondContact O-N 3.38Å; R591-I595 HydrophobicContact CG-CD1 4.2Å; R591-I595 VanDerWaalsContact O-CG1 3.29Å; R591-I595 WeakPolarHBondContact O-CG1 3.43Å; R591-I595 PolarHBondContact O-N 3.38Å; R591-L632 HydrophobicContact CB-CD1 4.22Å; R591-L632 HydrophobicContact CG-CD1 4.02Å |
| 592 | A | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.4 | -35 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I588 L589 I595 K596 L629 L632 L662 L1140 | I588-A592 VanDerWaalsContact O-CB 3.28Å; I588-A592 WeakPolarHBondContact O-CB 3.5Å; I588-A592 PolarHBondContact O-N 2.85Å; L589-A592 PolarHBondContact O-N 2.84Å; A592-I595 PolarHBondContact O-N 3.43Å; A592-K596 WeakPolarHBondContact O-CB 3.14Å; A592-K596 PolarHBondContact O-N 2.88Å; A592-L629 HydrophobicContact CB-CD1 3.78Å; A592-L632 HydrophobicContact CB-CD1 4.08Å; A592-L662 HydrophobicContact CB-CD2 3.25Å; A592-L1140 HydrophobicContact CB-CD1 3.96Å |
| 593 | G | 93.8 | Very high | 92 | Very high | 18 Ų | 18 | 28.9 Ų | 28.9 | 19% | 0.186 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L589 K590 R591 K596 T597 L1140 | L589-G593 PolarHBondContact O-N 3.39Å; K590-G593 PolarHBondContact O-N 3.3Å; R591-G593 VanDerWaalsContact C-N 3.29Å; R591-G593 PolarHBondContact O-N 3.11Å; G593-K596 PolarHBondContact O-N 3.29Å; G593-T597 PolarHBondContact O-N 3.19Å; G593-T597 PolarHBondContact O-OG1 3Å; G593-T597 VanDerWaalsContact O-OG1 3.09Å; G593-L1140 VanDerWaalsContact CA-CD2 3.42Å |
| 594 | Q | 93.4 | Very high | 91.7 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 30% | 0.304 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 174.5 | -66.9 | 172.5 | -45.7 | 0 | 0 | 111.7 | F526 K590 R591 K596 T597 R598 | F526-Q594 HydrophobicContact CB-CB 4.49Å; F526-Q594 HydrophobicContact CB-CG 4.49Å; F526-Q594 HydrophobicContact CD1-CB 4.27Å; F526-Q594 HydrophobicContact CD2-CB 3.48Å; F526-Q594 VanDerWaalsContact CD2-CB 3.48Å; F526-Q594 HydrophobicContact CD2-CG 4.26Å; F526-Q594 HydrophobicContact CE1-CB 4.41Å; F526-Q594 HydrophobicContact CE2-CB 3.65Å; F526-Q594 HydrophobicContact CG-CB 3.82Å; F526-Q594 HydrophobicContact CG-CG 4.33Å; F526-Q594 HydrophobicContact CZ-CB 4.11Å; K590-Q594 WeakPolarHBondContact O-CG 3.46Å; K590-Q594 PolarHBondContact O-N 3.32Å; R591-Q594 PolarHBondContact O-N 3.38Å; Q594-K596 PolarHBondContact O-N 2.88Å; Q594-T597 PolarHBondContact O-N 2.9Å; Q594-R598 WeakPolarHBondContact O-CB 3.46Å; Q594-R598 PolarHBondContact O-N 2.66Å |
| 595 | I | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.3 | -47.7 | 175.9 | -69.7 | 166.4 | 0 | 0 | 0 | 111.2 | F526 R591 A592 R598 C599 L625 Q628 L629 L632 | F526-I595 HydrophobicContact CE2-CG1 3.83Å; F526-I595 HydrophobicContact CZ-CG1 4.26Å; R591-I595 HydrophobicContact CG-CD1 4.2Å; R591-I595 VanDerWaalsContact O-CG1 3.29Å; R591-I595 WeakPolarHBondContact O-CG1 3.43Å; R591-I595 PolarHBondContact O-N 3.38Å; A592-I595 PolarHBondContact O-N 3.43Å; I595-R598 PolarHBondContact O-N 3.44Å; I595-C599 WeakPolarHBondContact O-CB 3.47Å; I595-C599 PolarHBondContact O-N 2.78Å; I595-C599 PolarHBondContact O-SG 2.9Å; I595-C599 VanDerWaalsContact O-SG 3.4Å; I595-L625 HydrophobicContact CB-CD2 4.35Å; I595-L625 HydrophobicContact CG1-CD2 3.95Å; I595-L625 HydrophobicContact CG2-CB 4.14Å; I595-L625 HydrophobicContact CG2-CD2 4.21Å; I595-Q628 HydrophobicContact CD1-CB 3.8Å; I595-L629 HydrophobicContact CG2-CB 4.19Å; I595-L632 HydrophobicContact CD1-CD1 3.88Å |
| 596 | K | 92.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 7% | 0.065 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | -179.8 | -177 | -172.9 | 169.5 | -169.4 | 0 | 112 | A592 G593 Q594 C599 S600 V665 L1140 Q1142 | A592-K596 WeakPolarHBondContact O-CB 3.14Å; A592-K596 PolarHBondContact O-N 2.88Å; G593-K596 PolarHBondContact O-N 3.29Å; Q594-K596 PolarHBondContact O-N 2.88Å; K596-C599 PolarHBondContact O-N 3.24Å; K596-S600 WeakPolarHBondContact O-CB 3.37Å; K596-S600 PolarHBondContact O-N 3.04Å; K596-S600 PolarHBondContact O-OG 3Å; K596-V665 HydrophobicContact CB-CG1 4.09Å; K596-V665 HydrophobicContact CD-CG1 4Å; K596-V665 HydrophobicContact CD-CG2 4.19Å; K596-V665 HydrophobicContact CG-CG1 3.91Å; K596-L1140 WeakPolarHBondContact CD-O 3.43Å; K596-L1140 WeakPolarHBondContact CE-O 3.31Å; K596-L1140 VanDerWaalsContact NZ-C 3.34Å; K596-L1140 PolarHBondContact NZ-O 2.98Å; K596-Q1142 PolarHBondContact NZ-O 2.9Å |
| 597 | T | 91.8 | Very high | 89.5 | Confident | 79 Ų | 79 | 28.7 Ų | 28.7 | 49% | 0.485 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 177.5 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | G593 Q594 C599 S600 E601 | G593-T597 PolarHBondContact O-N 3.19Å; G593-T597 PolarHBondContact O-OG1 3Å; G593-T597 VanDerWaalsContact O-OG1 3.09Å; Q594-T597 PolarHBondContact O-N 2.9Å; T597-C599 PolarHBondContact O-N 3.17Å; T597-S600 CarbonylContact O-C 3.35Å; T597-S600 WeakPolarHBondContact O-CA 3.41Å; T597-S600 VanDerWaalsContact O-CB 3.32Å; T597-S600 WeakPolarHBondContact O-CB 3.43Å; T597-S600 PolarHBondContact O-N 2.84Å; T597-E601 PolarHBondContact O-N 2.87Å |
| 598 | R | 92 | Very high | 88.3 | Confident | 74 Ų | 74 | 31.7 Ų | 31.7 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.6 | -44.2 | -179.8 | -174.2 | 59.1 | -177.9 | 157.6 | 7.9 | 113.5 | F526 Q594 I595 S600 E601 L602 E621 L625 | F526-R598 HydrophobicContact CE1-CB 3.7Å; F526-R598 HydrophobicContact CE1-CG 3.91Å; F526-R598 HydrophobicContact CZ-CB 3.96Å; F526-R598 HydrophobicContact CZ-CG 4.36Å; Q594-R598 WeakPolarHBondContact O-CB 3.46Å; Q594-R598 PolarHBondContact O-N 2.66Å; I595-R598 PolarHBondContact O-N 3.44Å; R598-S600 PolarHBondContact O-N 3.31Å; R598-E601 WeakPolarHBondContact CD-OE2 3.26Å; R598-E601 IonicContact CZ-OE2 2.74Å; R598-E601 IonicContact NE-OE2 3.22Å; R598-E601 IonicContact NH1-OE2 3.03Å; R598-E601 PolarHBondContact NH1-OE2 3.43Å; R598-E601 WeakPolarHBondContact O-CB 3.45Å; R598-E601 PolarHBondContact O-N 3.05Å; R598-L602 WeakPolarHBondContact O-CG 3.47Å; R598-L602 PolarHBondContact O-N 3.5Å; R598-E621 IonicContact CZ-OE1 3.42Å; R598-E621 VanDerWaalsContact CZ-OE1 3.27Å; R598-E621 IonicContact NE-OE1 3.53Å; R598-E621 PolarHBondContact NE-OE1 3.11Å; R598-E621 IonicContact NH2-OE1 2.77Å; R598-E621 PolarHBondContact NH2-OE1 3.46Å; R598-E621 IonicContact NH2-OE2 3.46Å; R598-E621 PolarHBondContact NH2-OE2 3.4Å; R598-L625 HydrophobicContact CB-CD1 4.15Å; R598-L625 HydrophobicContact CG-CD1 3.69Å |
| 599 | C | 91.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61 | -29.7 | 172.7 | -73 | 0 | 0 | 0 | 0 | 112.7 | I595 K596 T597 C603 F622 Q669 | I595-C599 WeakPolarHBondContact O-CB 3.47Å; I595-C599 PolarHBondContact O-N 2.78Å; I595-C599 PolarHBondContact O-SG 2.9Å; I595-C599 VanDerWaalsContact O-SG 3.4Å; K596-C599 PolarHBondContact O-N 3.24Å; T597-C599 PolarHBondContact O-N 3.17Å; C599-C603 WeakPolarHBondContact O-CB 3.28Å; C599-C603 PolarHBondContact O-N 3.36Å; C599-C603 PolarHBondContact O-SG 3.02Å; C599-F622 HydrophobicContact CB-CD2 3.92Å; C599-F622 HydrophobicContact CB-CE2 3.54Å; C599-F622 HydrophobicContact CB-CZ 4.15Å; C599-Q669 PolarHBondContact SG-NE2 2.99Å; C599-Q669 VanDerWaalsContact SG-NE2 3.39Å |
| 600 | S | 88.1 | Confident | 84.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -78.4 | -31.6 | 177 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | K596 T597 R598 H604 F1146 | K596-S600 WeakPolarHBondContact O-CB 3.37Å; K596-S600 PolarHBondContact O-N 3.04Å; K596-S600 PolarHBondContact O-OG 3Å; T597-S600 CarbonylContact O-C 3.35Å; T597-S600 WeakPolarHBondContact O-CA 3.41Å; T597-S600 VanDerWaalsContact O-CB 3.32Å; T597-S600 WeakPolarHBondContact O-CB 3.43Å; T597-S600 PolarHBondContact O-N 2.84Å; R598-S600 PolarHBondContact O-N 3.31Å; S600-H604 PolarHBondContact O-N 2.95Å; S600-H604 VanDerWaalsContact O-N 3.1Å; S600-F1146 WeakPolarHBondContact O-CE1 3.32Å; S600-F1146 WeakPolarHBondContact O-CZ 3.38Å |
| 601 | E | 88.7 | Confident | 83.3 | Confident | 98 Ų | 98 | 41.8 Ų | 41.8 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.6 | -50.7 | 170.1 | -69.6 | 165.4 | -164.6 | 0 | 0 | 111.2 | T597 R598 C603 H604 | T597-E601 PolarHBondContact O-N 2.87Å; R598-E601 WeakPolarHBondContact CD-OE2 3.26Å; R598-E601 IonicContact CZ-OE2 2.74Å; R598-E601 IonicContact NE-OE2 3.22Å; R598-E601 IonicContact NH1-OE2 3.03Å; R598-E601 PolarHBondContact NH1-OE2 3.43Å; R598-E601 WeakPolarHBondContact O-CB 3.45Å; R598-E601 PolarHBondContact O-N 3.05Å; E601-C603 PolarHBondContact O-N 3.17Å; E601-H604 WeakPolarHBondContact O-CB 3.2Å; E601-H604 PolarHBondContact O-N 3.18Å |
| 602 | L | 88.5 | Confident | 82.5 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55 | -43.7 | 176.5 | -67.2 | 170.1 | 0 | 0 | 0 | 110.6 | R598 H604 L614 E618 E621 F622 L625 | R598-L602 WeakPolarHBondContact O-CG 3.47Å; R598-L602 PolarHBondContact O-N 3.5Å; L602-H604 VanDerWaalsContact C-N 3.3Å; L602-H604 PolarHBondContact O-N 3.02Å; L602-L614 VanDerWaalsContact O-CD2 3.3Å; L602-L614 WeakPolarHBondContact O-CD2 3.32Å; L602-E618 HydrophobicContact CD2-CB 4.24Å; L602-E618 HydrophobicContact CD2-CG 4.11Å; L602-E621 HydrophobicContact CD1-CB 4.22Å; L602-E621 HydrophobicContact CD1-CG 3.94Å; L602-F622 HydrophobicContact CD1-CB 4.36Å; L602-L625 HydrophobicContact CD1-CD1 4.16Å |
| 603 | C | 86.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.4 | 179.4 | -61.4 | 0 | 0 | 0 | 0 | 115 | C599 E601 G605 I606 F607 F622 L672 | C599-C603 WeakPolarHBondContact O-CB 3.28Å; C599-C603 PolarHBondContact O-N 3.36Å; C599-C603 PolarHBondContact O-SG 3.02Å; E601-C603 PolarHBondContact O-N 3.17Å; C603-G605 VanDerWaalsContact C-N 3.35Å; C603-G605 PolarHBondContact O-N 3.01Å; C603-I606 HydrophobicContact CB-CD1 3.82Å; C603-I606 HydrophobicContact CB-CG1 4.42Å; C603-I606 WeakPolarHBondContact O-CB 3.29Å; C603-I606 PolarHBondContact O-N 3.25Å; C603-I606 VanDerWaalsContact O-N 3.11Å; C603-F607 HydrophobicContact CB-CE2 4.2Å; C603-F607 WeakPolarHBondContact O-CD2 3.35Å; C603-F622 WeakPolarHBondContact SG-CE2 3.35Å; C603-L672 HydrophobicContact CB-CD2 4.13Å |
| 604 | H | 81.1 | Confident | 81.3 | Confident | 80 Ų | 80 | 48.6 Ų | 48.6 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -59.6 | -45.4 | -175.4 | -176 | 53.3 | 0 | 0 | 0 | 111.9 | S600 E601 L602 I606 F1146 | S600-H604 PolarHBondContact O-N 2.95Å; S600-H604 VanDerWaalsContact O-N 3.1Å; E601-H604 WeakPolarHBondContact O-CB 3.2Å; E601-H604 PolarHBondContact O-N 3.18Å; L602-H604 VanDerWaalsContact C-N 3.3Å; L602-H604 PolarHBondContact O-N 3.02Å; H604-I606 PolarHBondContact O-N 3.33Å; H604-F1146 HydrophobicContact CB-CE1 4.38Å; H604-F1146 HydrophobicContact CB-CZ 4.18Å; H604-F1146 AromaticContact CE1-CD2 3.48Å; H604-F1146 VanDerWaalsContact CE1-CD2 3.48Å; H604-F1146 WeakPolarHBondContact CE1-CD2 3.48Å; H604-F1146 AromaticContact CE1-CG 3.54Å; H604-F1146 AromaticContact ND1-CD1 3.59Å; H604-F1146 AromaticContact ND1-CD2 3.04Å; H604-F1146 WeakPolarHBondContact ND1-CD2 3.4Å; H604-F1146 AromaticContact ND1-CE1 3.74Å; H604-F1146 AromaticContact ND1-CE2 3.23Å; H604-F1146 WeakPolarHBondContact ND1-CE2 3.41Å; H604-F1146 AromaticContact ND1-CG 3.26Å; H604-F1146 VanDerWaalsContact ND1-CG 3.26Å; H604-F1146 WeakPolarHBondContact ND1-CG 3.36Å; H604-F1146 AromaticContact ND1-CZ 3.58Å |
| 605 | G | 75.7 | Confident | 80.9 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 11% | 0.113 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -70.8 | -10.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C603 G611 | C603-G605 VanDerWaalsContact C-N 3.35Å; C603-G605 PolarHBondContact O-N 3.01Å; G605-G611 WeakPolarHBondContact O-CA 3.27Å |
| 606 | I | 80.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -80.1 | -28.4 | -176.1 | -53.7 | 179 | 0 | 0 | 0 | 111.7 | C603 H604 L614 I676 L681 P682 | C603-I606 HydrophobicContact CB-CD1 3.82Å; C603-I606 HydrophobicContact CB-CG1 4.42Å; C603-I606 WeakPolarHBondContact O-CB 3.29Å; C603-I606 PolarHBondContact O-N 3.25Å; C603-I606 VanDerWaalsContact O-N 3.11Å; H604-I606 PolarHBondContact O-N 3.33Å; I606-L614 HydrophobicContact CD1-CD1 4.12Å; I606-L614 HydrophobicContact CD1-CD2 3.72Å; I606-L614 HydrophobicContact CD1-CG 3.63Å; I606-L614 HydrophobicContact CG1-CD2 4.12Å; I606-L614 HydrophobicContact CG1-CG 4.39Å; I606-I676 HydrophobicContact CD1-CD1 3.44Å; I606-I676 VanDerWaalsContact CD1-CD1 3.44Å; I606-I676 HydrophobicContact CD1-CG1 3.98Å; I606-L681 HydrophobicContact CG2-CB 3.63Å; I606-L681 HydrophobicContact CG2-CD1 4.32Å; I606-L681 HydrophobicContact CG2-CG 4.42Å; I606-P682 HydrophobicContact CG2-CB 4.01Å; I606-P682 VanDerWaalsContact O-CA 3.32Å; I606-P682 WeakPolarHBondContact O-CA 3.43Å; I606-P682 WeakPolarHBondContact O-CB 3.02Å |
| 607 | F | 74.6 | Confident | 79.9 | Confident | 29 Ų | 29 | 60 Ų | 60 | 13% | 0.127 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -99.6 | -3.7 | -174.7 | -59.6 | -64.4 | 0 | 0 | 0 | 114.2 | C603 L672 L681 H735 | C603-F607 HydrophobicContact CB-CE2 4.2Å; C603-F607 WeakPolarHBondContact O-CD2 3.35Å; F607-L672 HydrophobicContact CE1-CD1 4.44Å; F607-L672 HydrophobicContact CE2-CD1 4.34Å; F607-L672 HydrophobicContact CZ-CD1 3.61Å; F607-L681 HydrophobicContact CD1-CD2 4.39Å; F607-L681 HydrophobicContact CE1-CD1 3.95Å; F607-L681 HydrophobicContact CE1-CD2 4.06Å; F607-L681 HydrophobicContact CZ-CD1 4.34Å; F607-H735 HydrophobicContact CD1-CB 3.65Å; F607-H735 AromaticContact CD1-CD2 3.71Å; F607-H735 AromaticContact CD2-CD2 3.95Å; F607-H735 HydrophobicContact CE1-CB 3.9Å; F607-H735 AromaticContact CE1-CD2 3.98Å; F607-H735 HydrophobicContact CG-CB 4.39Å; F607-H735 AromaticContact CG-CD2 3.67Å |
| 608 | D | 68.9 | Low | 79.7 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -80 | 146.2 | 170.2 | -98.7 | -27.7 | 0 | 0 | 0 | 110.5 | G610 G611 R1195 | D608-G610 PolarHBondContact O-N 3.42Å; D608-G611 WeakPolarHBondContact O-CA 3.47Å; D608-G611 PolarHBondContact O-N 3.38Å; D608-R1195 IonicContact OD1-NH2 2.72Å; D608-R1195 PolarHBondContact OD1-NH2 3.09Å; D608-R1195 IonicContact OD2-NH2 3.37Å |
| 609 | Y | 56.1 | Low | 79.6 | Confident | 230 Ų | 230 | 58 Ų | 58 | 90% | 0.902 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -3.4 | -176.7 | -79.2 | -99.1 | 0 | 0 | 0 | 115.9 | ||
| 610 | G | 58.3 | Low | 79.4 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 78% | 0.784 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 23 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D608 | D608-G610 PolarHBondContact O-N 3.42Š|
| 611 | G | 64.4 | Low | 79.6 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | trans | -64.2 | 157.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G605 D608 Q685 | G605-G611 WeakPolarHBondContact O-CA 3.27Å; D608-G611 WeakPolarHBondContact O-CA 3.47Å; D608-G611 PolarHBondContact O-N 3.38Å; G611-Q685 PolarHBondContact O-NE2 2.91Å | ||
| 612 | Y | 77.3 | Confident | 79.8 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | trans | -109.3 | 147.5 | 175.7 | 55.7 | -84.6 | 0 | 0 | 0 | 110.2 | ||||
| 613 | P | 79.6 | Confident | 80 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 38% | 0.377 | 29% | 0.293 | S | S | . | . | trans | -68.9 | 142.6 | 166.3 | 31 | -33.9 | 0 | 0 | 0 | 109.1 | ||||
| 614 | L | 85.2 | Confident | 80.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -51.8 | 141.9 | 176 | -66.7 | -173.8 | 0 | 0 | 0 | 111.5 | L602 I606 E618 R619 I676 | L602-L614 VanDerWaalsContact O-CD2 3.3Å; L602-L614 WeakPolarHBondContact O-CD2 3.32Å; I606-L614 HydrophobicContact CD1-CD1 4.12Å; I606-L614 HydrophobicContact CD1-CD2 3.72Å; I606-L614 HydrophobicContact CD1-CG 3.63Å; I606-L614 HydrophobicContact CG1-CD2 4.12Å; I606-L614 HydrophobicContact CG1-CG 4.39Å; L614-E618 WeakPolarHBondContact CA-OE2 3.14Å; L614-E618 HydrophobicContact CB-CB 4.04Å; L614-E618 HydrophobicContact CD2-CB 4.02Å; L614-E618 HydrophobicContact CG-CB 4.41Å; L614-R619 HydrophobicContact CB-CG 3.69Å; L614-R619 HydrophobicContact CD1-CG 4.26Å; L614-R619 VanDerWaalsContact O-CZ 3.23Å; L614-R619 PolarHBondContact O-NE 3.4Å; L614-R619 PolarHBondContact O-NH2 2.92Å; L614-I676 HydrophobicContact CD1-CD1 4.05Å; L614-I676 HydrophobicContact CG-CG2 4.45Å | ||
| 615 | D | 85.6 | Confident | 80.8 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | trans | -76.4 | 174.8 | 172.5 | 88.5 | 9 | 0 | 0 | 0 | 112.6 | R617 E618 R619 | D615-R617 PolarHBondContact O-N 3.26Å; D615-R617 VanDerWaalsContact OD1-CA 3.27Å; D615-R617 WeakPolarHBondContact OD1-CA 3.34Å; D615-R617 WeakPolarHBondContact OD1-CB 3.05Å; D615-R617 PolarHBondContact OD1-N 3.47Å; D615-E618 PolarHBondContact N-OE2 2.98Å; D615-E618 PolarHBondContact O-N 3.38Å; D615-E618 WeakPolarHBondContact OD1-CG 3.38Å; D615-E618 PolarHBondContact OD1-N 3.13Å; D615-R619 WeakPolarHBondContact O-CG 3.45Å; D615-R619 PolarHBondContact O-N 3.1Å | ||
| 616 | Q | 81.7 | Confident | 81.7 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -6 | -176.5 | -166.8 | 59.8 | 5.1 | 0 | 0 | 114 | R620 | Q616-R620 PolarHBondContact O-NE 3.25Š|
| 617 | R | 83.1 | Confident | 82.3 | Confident | 149 Ų | 149 | 60.9 Ų | 60.9 | 56% | 0.562 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -51.4 | 167.9 | -168.5 | -174.6 | 167.6 | -144.6 | -5.1 | 109.9 | D615 R619 R620 E621 C1363 | D615-R617 PolarHBondContact O-N 3.26Å; D615-R617 VanDerWaalsContact OD1-CA 3.27Å; D615-R617 WeakPolarHBondContact OD1-CA 3.34Å; D615-R617 WeakPolarHBondContact OD1-CB 3.05Å; D615-R617 PolarHBondContact OD1-N 3.47Å; R617-R619 VanDerWaalsContact C-N 3.33Å; R617-R619 PolarHBondContact O-N 2.92Å; R617-R620 PolarHBondContact O-N 3.05Å; R617-R620 VanDerWaalsContact O-N 3.1Å; R617-E621 PolarHBondContact O-N 3.04Å; R617-C1363 VanDerWaalsContact CB-SG 3.56Å |
| 618 | E | 88.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -40.4 | -178.8 | -65.8 | 173.4 | 141 | 0 | 0 | 111.5 | L602 L614 D615 E621 F622 | L602-E618 HydrophobicContact CD2-CB 4.24Å; L602-E618 HydrophobicContact CD2-CG 4.11Å; L614-E618 WeakPolarHBondContact CA-OE2 3.14Å; L614-E618 HydrophobicContact CB-CB 4.04Å; L614-E618 HydrophobicContact CD2-CB 4.02Å; L614-E618 HydrophobicContact CG-CB 4.41Å; D615-E618 PolarHBondContact N-OE2 2.98Å; D615-E618 PolarHBondContact O-N 3.38Å; D615-E618 WeakPolarHBondContact OD1-CG 3.38Å; D615-E618 PolarHBondContact OD1-N 3.13Å; E618-E621 PolarHBondContact O-N 2.93Å; E618-F622 WeakPolarHBondContact O-CB 3.38Å; E618-F622 PolarHBondContact O-N 2.85Å |
| 619 | R | 88.8 | Confident | 84.5 | Confident | 72 Ų | 72 | 56.5 Ų | 56.5 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 172.3 | -69.2 | 179.3 | -141.1 | 179 | 3.8 | 112.5 | L614 D615 R617 F622 Q623 | L614-R619 HydrophobicContact CB-CG 3.69Å; L614-R619 HydrophobicContact CD1-CG 4.26Å; L614-R619 VanDerWaalsContact O-CZ 3.23Å; L614-R619 PolarHBondContact O-NE 3.4Å; L614-R619 PolarHBondContact O-NH2 2.92Å; D615-R619 WeakPolarHBondContact O-CG 3.45Å; D615-R619 PolarHBondContact O-N 3.1Å; R617-R619 VanDerWaalsContact C-N 3.33Å; R617-R619 PolarHBondContact O-N 2.92Å; R619-F622 PolarHBondContact O-N 3.36Å; R619-Q623 WeakPolarHBondContact O-CB 3.32Å; R619-Q623 VanDerWaalsContact O-CG 3.22Å; R619-Q623 WeakPolarHBondContact O-CG 3.47Å; R619-Q623 PolarHBondContact O-N 3.29Å |
| 620 | R | 87.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 27% | 0.268 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 177.3 | -79.3 | -168.4 | -84.5 | -164.9 | -3.4 | 111.6 | Q616 R617 Q623 V624 C1363 | Q616-R620 PolarHBondContact O-NE 3.25Å; R617-R620 PolarHBondContact O-N 3.05Å; R617-R620 VanDerWaalsContact O-N 3.1Å; R620-Q623 PolarHBondContact O-N 3.31Å; R620-V624 WeakPolarHBondContact O-CB 3.4Å; R620-V624 VanDerWaalsContact O-CG2 3.31Å; R620-V624 WeakPolarHBondContact O-CG2 3.33Å; R620-V624 PolarHBondContact O-N 3.39Å; R620-C1363 PolarHBondContact NH2-O 3.28Å |
| 621 | E | 91.1 | Very high | 88.2 | Confident | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.9 | -49 | 171.7 | -172.7 | 171.1 | 163.7 | 0 | 0 | 111.1 | L459 Q525 R598 L602 R617 E618 Q623 V624 L625 | L459-E621 HydrophobicContact CD1-CB 4.05Å; L459-E621 HydrophobicContact CD1-CG 4.16Å; L459-E621 HydrophobicContact CD2-CG 4.2Å; Q525-E621 PolarHBondContact NE2-OE1 3.26Å; R598-E621 IonicContact CZ-OE1 3.42Å; R598-E621 VanDerWaalsContact CZ-OE1 3.27Å; R598-E621 IonicContact NE-OE1 3.53Å; R598-E621 PolarHBondContact NE-OE1 3.11Å; R598-E621 IonicContact NH2-OE1 2.77Å; R598-E621 PolarHBondContact NH2-OE1 3.46Å; R598-E621 IonicContact NH2-OE2 3.46Å; R598-E621 PolarHBondContact NH2-OE2 3.4Å; L602-E621 HydrophobicContact CD1-CB 4.22Å; L602-E621 HydrophobicContact CD1-CG 3.94Å; R617-E621 PolarHBondContact O-N 3.04Å; E618-E621 PolarHBondContact O-N 2.93Å; E621-Q623 PolarHBondContact O-N 3.26Å; E621-V624 PolarHBondContact O-N 3.1Å; E621-L625 HydrophobicContact CG-CD1 3.99Å; E621-L625 WeakPolarHBondContact O-CB 3.31Å; E621-L625 VanDerWaalsContact O-CG 3.22Å; E621-L625 WeakPolarHBondContact O-CG 3.41Å; E621-L625 PolarHBondContact O-N 2.83Å |
| 622 | F | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.9 | -165.1 | -72.5 | 0 | 0 | 0 | 112.6 | C599 L602 C603 E618 R619 S626 Q669 L672 L673 | C599-F622 HydrophobicContact CB-CD2 3.92Å; C599-F622 HydrophobicContact CB-CE2 3.54Å; C599-F622 HydrophobicContact CB-CZ 4.15Å; L602-F622 HydrophobicContact CD1-CB 4.36Å; C603-F622 WeakPolarHBondContact SG-CE2 3.35Å; E618-F622 WeakPolarHBondContact O-CB 3.38Å; E618-F622 PolarHBondContact O-N 2.85Å; R619-F622 PolarHBondContact O-N 3.36Å; F622-S626 WeakPolarHBondContact CD1-OG 3.48Å; F622-S626 WeakPolarHBondContact CE1-OG 3.43Å; F622-S626 WeakPolarHBondContact O-CB 3.49Å; F622-S626 PolarHBondContact O-N 3.09Å; F622-S626 PolarHBondContact O-OG 2.99Å; F622-Q669 HydrophobicContact CE1-CB 4.06Å; F622-Q669 WeakPolarHBondContact CE1-O 3.38Å; F622-Q669 HydrophobicContact CZ-CB 4.03Å; F622-Q669 HydrophobicContact CZ-CG 4.12Å; F622-L672 HydrophobicContact CE2-CD2 4.34Å; F622-L672 HydrophobicContact CZ-CD2 4.27Å; F622-L672 HydrophobicContact CZ-CG 4.38Å; F622-L673 HydrophobicContact CD1-CB 4.01Å; F622-L673 HydrophobicContact CD1-CD1 4.01Å; F622-L673 HydrophobicContact CD1-CD2 4.17Å; F622-L673 HydrophobicContact CD1-CG 4.29Å; F622-L673 HydrophobicContact CE1-CB 3.73Å; F622-L673 HydrophobicContact CE1-CG 4.49Å |
| 623 | Q | 92.1 | Very high | 90.7 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 177.2 | -77 | 167.4 | -5 | 0 | 0 | 111.9 | R619 R620 E621 S626 G627 L673 | R619-Q623 WeakPolarHBondContact O-CB 3.32Å; R619-Q623 VanDerWaalsContact O-CG 3.22Å; R619-Q623 WeakPolarHBondContact O-CG 3.47Å; R619-Q623 PolarHBondContact O-N 3.29Å; R620-Q623 PolarHBondContact O-N 3.31Å; E621-Q623 PolarHBondContact O-N 3.26Å; Q623-S626 PolarHBondContact O-N 2.85Å; Q623-G627 PolarHBondContact O-N 3.15Å; Q623-L673 HydrophobicContact CG-CD1 4.49Å; Q623-L673 HydrophobicContact CG-CD2 3.64Å |
| 624 | V | 91.2 | Very high | 91.5 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 40% | 0.4 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.1 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | L459 R620 E621 S626 G627 Q628 | L459-V624 HydrophobicContact CD2-CG1 4.18Å; R620-V624 WeakPolarHBondContact O-CB 3.4Å; R620-V624 VanDerWaalsContact O-CG2 3.31Å; R620-V624 WeakPolarHBondContact O-CG2 3.33Å; R620-V624 PolarHBondContact O-N 3.39Å; E621-V624 PolarHBondContact O-N 3.1Å; V624-S626 PolarHBondContact O-N 3.06Å; V624-G627 WeakPolarHBondContact O-CA 3.42Å; V624-G627 PolarHBondContact O-N 3.11Å; V624-G627 VanDerWaalsContact O-N 3.14Å; V624-Q628 WeakPolarHBondContact O-CG 3.22Å; V624-Q628 PolarHBondContact O-N 2.78Å |
| 625 | L | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 175 | -77.2 | 170.5 | 0 | 0 | 0 | 112.6 | F526 I595 R598 L602 E621 G627 Q628 L629 | F526-L625 HydrophobicContact CE2-CD2 4.23Å; F526-L625 HydrophobicContact CZ-CD2 3.62Å; I595-L625 HydrophobicContact CB-CD2 4.35Å; I595-L625 HydrophobicContact CG1-CD2 3.95Å; I595-L625 HydrophobicContact CG2-CB 4.14Å; I595-L625 HydrophobicContact CG2-CD2 4.21Å; R598-L625 HydrophobicContact CB-CD1 4.15Å; R598-L625 HydrophobicContact CG-CD1 3.69Å; L602-L625 HydrophobicContact CD1-CD1 4.16Å; E621-L625 HydrophobicContact CG-CD1 3.99Å; E621-L625 WeakPolarHBondContact O-CB 3.31Å; E621-L625 VanDerWaalsContact O-CG 3.22Å; E621-L625 WeakPolarHBondContact O-CG 3.41Å; E621-L625 PolarHBondContact O-N 2.83Å; L625-G627 VanDerWaalsContact C-N 3.27Å; L625-G627 PolarHBondContact O-N 2.98Å; L625-Q628 PolarHBondContact O-N 2.84Å; L625-L629 PolarHBondContact O-N 2.95Å |
| 626 | S | 93.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -31.4 | 175.3 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | F622 Q623 V624 R630 L666 | F622-S626 WeakPolarHBondContact CD1-OG 3.48Å; F622-S626 WeakPolarHBondContact CE1-OG 3.43Å; F622-S626 WeakPolarHBondContact O-CB 3.49Å; F622-S626 PolarHBondContact O-N 3.09Å; F622-S626 PolarHBondContact O-OG 2.99Å; Q623-S626 PolarHBondContact O-N 2.85Å; V624-S626 PolarHBondContact O-N 3.06Å; S626-R630 PolarHBondContact O-N 3.33Å; S626-L666 WeakPolarHBondContact O-CD1 3.22Å |
| 627 | G | 93.9 | Very high | 93.1 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.5 | -48.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q623 V624 L625 L629 R630 E631 | Q623-G627 PolarHBondContact O-N 3.15Å; V624-G627 WeakPolarHBondContact O-CA 3.42Å; V624-G627 PolarHBondContact O-N 3.11Å; V624-G627 VanDerWaalsContact O-N 3.14Å; L625-G627 VanDerWaalsContact C-N 3.27Å; L625-G627 PolarHBondContact O-N 2.98Å; G627-L629 VanDerWaalsContact C-N 3.33Å; G627-L629 PolarHBondContact O-N 2.98Å; G627-R630 VanDerWaalsContact O-CB 3.29Å; G627-R630 WeakPolarHBondContact O-CB 3.49Å; G627-R630 PolarHBondContact O-N 3.28Å; G627-R630 VanDerWaalsContact O-N 3.1Å; G627-E631 PolarHBondContact O-N 3.35Å |
| 628 | Q | 95 | Very high | 93.7 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 176 | -66.2 | 169.1 | 26.7 | 0 | 0 | 111.9 | L549 I595 V624 L625 R630 E631 L632 | L549-Q628 HydrophobicContact CD2-CB 4.13Å; L549-Q628 HydrophobicContact CG-CB 4.18Å; L549-Q628 HydrophobicContact CG-CG 4.37Å; I595-Q628 HydrophobicContact CD1-CB 3.8Å; V624-Q628 WeakPolarHBondContact O-CG 3.22Å; V624-Q628 PolarHBondContact O-N 2.78Å; L625-Q628 PolarHBondContact O-N 2.84Å; Q628-R630 VanDerWaalsContact C-N 3.27Å; Q628-R630 PolarHBondContact O-N 2.95Å; Q628-E631 PolarHBondContact O-N 3.41Å; Q628-L632 WeakPolarHBondContact O-CG 3.42Å; Q628-L632 PolarHBondContact O-N 3.25Å |
| 629 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 176.9 | -174.6 | 61.7 | 0 | 0 | 0 | 112.5 | A592 I595 L625 G627 L632 V633 L662 V665 L666 Q669 | A592-L629 HydrophobicContact CB-CD1 3.78Å; I595-L629 HydrophobicContact CG2-CB 4.19Å; L625-L629 PolarHBondContact O-N 2.95Å; G627-L629 VanDerWaalsContact C-N 3.33Å; G627-L629 PolarHBondContact O-N 2.98Å; L629-L632 HydrophobicContact CD1-CD1 4.48Å; L629-L632 PolarHBondContact O-N 3.01Å; L629-V633 WeakPolarHBondContact O-CG2 3.38Å; L629-V633 PolarHBondContact O-N 3.45Å; L629-L662 HydrophobicContact CD1-CD2 4.01Å; L629-V665 HydrophobicContact CD2-CB 4.15Å; L629-V665 HydrophobicContact CD2-CG1 3.75Å; L629-L666 HydrophobicContact CB-CD1 4.28Å; L629-L666 HydrophobicContact CD2-CB 4Å; L629-L666 HydrophobicContact CD2-CD1 4.25Å; L629-L666 HydrophobicContact CG-CB 4.25Å; L629-L666 HydrophobicContact CG-CD1 4.27Å; L629-Q669 VanDerWaalsContact CD2-OE1 3.26Å |
| 630 | R | 95.8 | Very high | 94.2 | Very high | 110 Ų | 110 | 31.8 Ų | 31.8 | 42% | 0.415 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 173.8 | -168.6 | -169.1 | -50.6 | -78.7 | -4.1 | 112.1 | S626 G627 Q628 V633 R634 L666 | S626-R630 PolarHBondContact O-N 3.33Å; G627-R630 VanDerWaalsContact O-CB 3.29Å; G627-R630 WeakPolarHBondContact O-CB 3.49Å; G627-R630 PolarHBondContact O-N 3.28Å; G627-R630 VanDerWaalsContact O-N 3.1Å; Q628-R630 VanDerWaalsContact C-N 3.27Å; Q628-R630 PolarHBondContact O-N 2.95Å; R630-V633 WeakPolarHBondContact O-CB 3.39Å; R630-V633 PolarHBondContact O-N 3.49Å; R630-R634 PolarHBondContact O-N 2.98Å; R630-L666 HydrophobicContact CB-CD1 4.34Å; R630-L666 HydrophobicContact CB-CD2 4.14Å; R630-L666 HydrophobicContact CG-CD2 4.2Å |
| 631 | E | 95.8 | Very high | 94.5 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 21% | 0.21 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.2 | -29.2 | 176.7 | -65.1 | -53.6 | 105.3 | 0 | 0 | 112.4 | L549 G627 Q628 R634 L635 | L549-E631 HydrophobicContact CD1-CB 4.11Å; G627-E631 PolarHBondContact O-N 3.35Å; Q628-E631 PolarHBondContact O-N 3.41Å; E631-R634 WeakPolarHBondContact O-CB 3.39Å; E631-R634 PolarHBondContact O-N 2.75Å; E631-R634 IonicContact OE1-NH1 3.88Å; E631-R634 WeakPolarHBondContact OE2-CD 3.38Å; E631-R634 IonicContact OE2-CZ 2.78Å; E631-R634 IonicContact OE2-NE 2.78Å; E631-R634 IonicContact OE2-NH1 3.81Å; E631-R634 PolarHBondContact OE2-NH1 3.3Å; E631-L635 WeakPolarHBondContact O-CB 3.2Å; E631-L635 PolarHBondContact O-N 3.35Å |
| 632 | L | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 167.1 | -70.8 | 177.4 | 0 | 0 | 0 | 112.2 | L549 W587 I588 R591 A592 I595 Q628 L629 R634 L635 Q636 | L549-L632 HydrophobicContact CD1-CD2 3.96Å; L549-L632 HydrophobicContact CD1-CG 3.97Å; L549-L632 HydrophobicContact CD2-CD1 4.03Å; L549-L632 HydrophobicContact CD2-CD2 3.84Å; L549-L632 HydrophobicContact CD2-CG 3.84Å; W587-L632 HydrophobicContact CH2-CD2 3.81Å; W587-L632 HydrophobicContact CZ3-CD2 3.89Å; I588-L632 HydrophobicContact CB-CD2 4.39Å; I588-L632 HydrophobicContact CG1-CD2 4.07Å; I588-L632 HydrophobicContact CG2-CB 4.45Å; I588-L632 HydrophobicContact CG2-CD2 4.29Å; R591-L632 HydrophobicContact CB-CD1 4.22Å; R591-L632 HydrophobicContact CG-CD1 4.02Å; A592-L632 HydrophobicContact CB-CD1 4.08Å; I595-L632 HydrophobicContact CD1-CD1 3.88Å; Q628-L632 WeakPolarHBondContact O-CG 3.42Å; Q628-L632 PolarHBondContact O-N 3.25Å; L629-L632 HydrophobicContact CD1-CD1 4.48Å; L629-L632 PolarHBondContact O-N 3.01Å; L632-R634 VanDerWaalsContact C-N 3.3Å; L632-R634 PolarHBondContact O-N 3.27Å; L632-L635 PolarHBondContact O-N 3.05Å; L632-Q636 WeakPolarHBondContact O-CB 3.19Å; L632-Q636 PolarHBondContact O-N 2.81Å |
| 633 | V | 96.3 | Very high | 94 | Very high | 14 Ų | 14 | 37 Ų | 37 | 9% | 0.085 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 172.2 | 165.2 | 0 | 0 | 0 | 0 | 111.1 | L629 R630 S637 L662 K663 L666 | L629-V633 WeakPolarHBondContact O-CG2 3.38Å; L629-V633 PolarHBondContact O-N 3.45Å; R630-V633 WeakPolarHBondContact O-CB 3.39Å; R630-V633 PolarHBondContact O-N 3.49Å; V633-S637 WeakPolarHBondContact O-CB 3.49Å; V633-S637 PolarHBondContact O-N 3.36Å; V633-S637 PolarHBondContact O-OG 3.44Å; V633-L662 HydrophobicContact CG2-CB 3.57Å; V633-K663 HydrophobicContact CG1-CD 4.21Å; V633-K663 VanDerWaalsContact CG1-CE 3.5Å; V633-K663 HydrophobicContact CG1-CG 3.56Å; V633-K663 HydrophobicContact CG2-CG 4.13Å; V633-L666 HydrophobicContact CG2-CB 4.5Å; V633-L666 HydrophobicContact CG2-CD2 4.14Å |
| 634 | R | 96.5 | Very high | 93.8 | Very high | 146 Ų | 146 | 40.9 Ų | 40.9 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -63.6 | -48.2 | 178.8 | -172.7 | -171.3 | -174.6 | 175.8 | 3.7 | 111.7 | R630 E631 L632 S637 Y638 | R630-R634 PolarHBondContact O-N 2.98Å; E631-R634 WeakPolarHBondContact O-CB 3.39Å; E631-R634 PolarHBondContact O-N 2.75Å; E631-R634 IonicContact OE1-NH1 3.88Å; E631-R634 WeakPolarHBondContact OE2-CD 3.38Å; E631-R634 IonicContact OE2-CZ 2.78Å; E631-R634 IonicContact OE2-NE 2.78Å; E631-R634 IonicContact OE2-NH1 3.81Å; E631-R634 PolarHBondContact OE2-NH1 3.3Å; L632-R634 VanDerWaalsContact C-N 3.3Å; L632-R634 PolarHBondContact O-N 3.27Å; R634-S637 PolarHBondContact O-N 3.49Å; R634-Y638 PolarHBondContact O-N 2.89Å |
| 635 | L | 96 | Very high | 93.3 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -45 | 177.2 | -178.4 | 61.9 | 0 | 0 | 0 | 111.5 | L557 A561 W587 I588 E631 L632 S637 Y638 I639 | L557-L635 HydrophobicContact CB-CD1 4.03Å; L557-L635 HydrophobicContact CB-CD2 4.1Å; L557-L635 HydrophobicContact CD1-CD2 4.49Å; L557-L635 WeakPolarHBondContact O-CD1 3.1Å; A561-L635 HydrophobicContact CB-CD1 4.05Å; W587-L635 HydrophobicContact CZ3-CD2 3.98Å; I588-L635 HydrophobicContact CD1-CD2 3.83Å; I588-L635 HydrophobicContact CD1-CG 4.03Å; I588-L635 HydrophobicContact CG1-CD2 4.12Å; E631-L635 WeakPolarHBondContact O-CB 3.2Å; E631-L635 PolarHBondContact O-N 3.35Å; L632-L635 PolarHBondContact O-N 3.05Å; L635-S637 VanDerWaalsContact C-N 3.35Å; L635-S637 PolarHBondContact O-N 3.45Å; L635-Y638 PolarHBondContact O-N 2.76Å; L635-I639 HydrophobicContact CG-CD1 4.37Å; L635-I639 WeakPolarHBondContact O-CG1 3.49Å; L635-I639 PolarHBondContact O-N 3.33Å |
| 636 | Q | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -37.7 | 176.4 | -171.5 | 60.6 | 30.5 | 0 | 0 | 112.1 | L632 I639 V640 C655 N658 E659 L662 | L632-Q636 WeakPolarHBondContact O-CB 3.19Å; L632-Q636 PolarHBondContact O-N 2.81Å; Q636-I639 PolarHBondContact O-N 3.38Å; Q636-V640 WeakPolarHBondContact O-CG2 3.42Å; Q636-V640 PolarHBondContact O-N 2.97Å; Q636-C655 VanDerWaalsContact NE2-CA 3.33Å; Q636-C655 PolarHBondContact NE2-O 3.14Å; Q636-N658 HydrophobicContact CG-CB 4.13Å; Q636-E659 HydrophobicContact CG-CB 4.02Å; Q636-L662 HydrophobicContact CB-CD1 3.79Å; Q636-L662 HydrophobicContact CG-CD1 3.92Å |
| 637 | S | 95.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 57.8 Ų | 57.8 | 22% | 0.217 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -40.2 | 174.9 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | V633 R634 L635 V640 E641 | V633-S637 WeakPolarHBondContact O-CB 3.49Å; V633-S637 PolarHBondContact O-N 3.36Å; V633-S637 PolarHBondContact O-OG 3.44Å; R634-S637 PolarHBondContact O-N 3.49Å; L635-S637 VanDerWaalsContact C-N 3.35Å; L635-S637 PolarHBondContact O-N 3.45Å; S637-V640 PolarHBondContact O-N 2.88Å; S637-E641 WeakPolarHBondContact O-CB 3.44Å; S637-E641 PolarHBondContact O-N 2.87Å |
| 638 | Y | 95 | Very high | 91.8 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 14% | 0.137 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -38.8 | 175.9 | 173.4 | -97.2 | 0 | 0 | 0 | 112.5 | N558 A561 R562 R634 L635 E641 Q642 | N558-Y638 HydrophobicContact CB-CD1 4.22Å; N558-Y638 HydrophobicContact CB-CE1 3.83Å; N558-Y638 VanDerWaalsContact O-CE1 3.27Å; N558-Y638 WeakPolarHBondContact O-CE1 3.49Å; N558-Y638 PolarHBondContact O-OH 3.35Å; N558-Y638 WeakPolarHBondContact OD1-CD1 3.36Å; A561-Y638 HydrophobicContact CB-CD1 4.13Å; A561-Y638 HydrophobicContact CB-CE1 4.06Å; R562-Y638 PolarHBondContact NE-OH 2.89Å; R562-Y638 PolarHBondContact NH2-OH 3.44Å; R634-Y638 PolarHBondContact O-N 2.89Å; L635-Y638 PolarHBondContact O-N 2.76Å; Y638-E641 PolarHBondContact O-N 3.4Å; Y638-Q642 HydrophobicContact CD1-CG 4.44Å; Y638-Q642 HydrophobicContact CD2-CG 4.26Å; Y638-Q642 HydrophobicContact CE1-CG 4.07Å; Y638-Q642 HydrophobicContact CE2-CG 3.9Å; Y638-Q642 WeakPolarHBondContact O-CG 3.38Å; Y638-Q642 PolarHBondContact O-N 3.1Å |
| 639 | I | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 169.5 | -71.7 | 165.3 | 0 | 0 | 0 | 110.5 | A561 L581 L584 I588 L635 Q636 E641 G643 | A561-I639 HydrophobicContact CB-CD1 4.33Å; A561-I639 HydrophobicContact CB-CG1 3.79Å; L581-I639 HydrophobicContact CD1-CD1 4.24Å; L581-I639 HydrophobicContact CD1-CG1 4.36Å; L581-I639 HydrophobicContact CD1-CG2 3.8Å; L581-I639 HydrophobicContact CD2-CG2 4.48Å; L584-I639 HydrophobicContact CD2-CD1 3.88Å; L584-I639 HydrophobicContact CG-CD1 4.44Å; I588-I639 HydrophobicContact CD1-CD1 3.76Å; L635-I639 HydrophobicContact CG-CD1 4.37Å; L635-I639 WeakPolarHBondContact O-CG1 3.49Å; L635-I639 PolarHBondContact O-N 3.33Å; Q636-I639 PolarHBondContact O-N 3.38Å; I639-E641 VanDerWaalsContact C-N 3.32Å; I639-E641 PolarHBondContact O-N 2.83Å; I639-G643 WeakPolarHBondContact O-CA 3.39Å; I639-G643 PolarHBondContact O-N 2.89Å |
| 640 | V | 94.2 | Very high | 91 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 178.4 | 169 | 0 | 0 | 0 | 0 | 111.9 | Q636 S637 R644 L652 C655 R656 | Q636-V640 WeakPolarHBondContact O-CG2 3.42Å; Q636-V640 PolarHBondContact O-N 2.97Å; S637-V640 PolarHBondContact O-N 2.88Å; V640-R644 WeakPolarHBondContact O-CG 3.48Å; V640-R644 PolarHBondContact O-N 3.41Å; V640-L652 HydrophobicContact CG1-CD1 4.19Å; V640-C655 HydrophobicContact CG2-CB 3.67Å; V640-C655 WeakPolarHBondContact CG2-O 3.41Å; V640-R656 HydrophobicContact CG1-CG 3.92Å; V640-R656 HydrophobicContact CG2-CG 4.36Å |
| 641 | E | 92.8 | Very high | 90.5 | Very high | 119 Ų | 119 | 66.4 Ų | 66.4 | 56% | 0.556 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.8 | -54.6 | 178.4 | -177.5 | 173.7 | -156.7 | 0 | 0 | 112.7 | S637 Y638 I639 G643 R644 | S637-E641 WeakPolarHBondContact O-CB 3.44Å; S637-E641 PolarHBondContact O-N 2.87Å; Y638-E641 PolarHBondContact O-N 3.4Å; I639-E641 VanDerWaalsContact C-N 3.32Å; I639-E641 PolarHBondContact O-N 2.83Å; E641-G643 VanDerWaalsContact C-N 3.26Å; E641-G643 PolarHBondContact O-N 2.75Å; E641-R644 WeakPolarHBondContact O-CG 3.28Å; E641-R644 PolarHBondContact O-N 3.14Å |
| 642 | Q | 88.7 | Confident | 90.3 | Very high | 73 Ų | 73 | 65 Ų | 65 | 34% | 0.341 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -35.5 | 177.2 | -65.9 | -69.2 | -5.8 | 0 | 0 | 111.6 | M565 Y638 R644 | M565-Q642 HydrophobicContact CE-CB 3.64Å; M565-Q642 HydrophobicContact CE-CG 4.22Å; M565-Q642 HydrophobicContact SD-CB 4.03Å; Y638-Q642 HydrophobicContact CD1-CG 4.44Å; Y638-Q642 HydrophobicContact CD2-CG 4.26Å; Y638-Q642 HydrophobicContact CE1-CG 4.07Å; Y638-Q642 HydrophobicContact CE2-CG 3.9Å; Y638-Q642 WeakPolarHBondContact O-CG 3.38Å; Y638-Q642 PolarHBondContact O-N 3.1Å; Q642-R644 VanDerWaalsContact C-N 3.26Å; Q642-R644 PolarHBondContact O-N 3.21Å |
| 643 | G | 86 | Confident | 89.9 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -24.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | I639 E641 R645 R646 L647 | I639-G643 WeakPolarHBondContact O-CA 3.39Å; I639-G643 PolarHBondContact O-N 2.89Å; E641-G643 VanDerWaalsContact C-N 3.26Å; E641-G643 PolarHBondContact O-N 2.75Å; G643-R645 PolarHBondContact O-N 3.49Å; G643-R646 PolarHBondContact O-N 3.28Å; G643-L647 PolarHBondContact O-N 3.04Å |
| 644 | R | 87.6 | Confident | 89.6 | Confident | 169 Ų | 169 | 70.1 Ų | 70.1 | 64% | 0.638 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.5 | -176.1 | -60.6 | -173.9 | -173.2 | -178.8 | 3.9 | 114.8 | V640 E641 Q642 | V640-R644 WeakPolarHBondContact O-CG 3.48Å; V640-R644 PolarHBondContact O-N 3.41Å; E641-R644 WeakPolarHBondContact O-CG 3.28Å; E641-R644 PolarHBondContact O-N 3.14Å; Q642-R644 VanDerWaalsContact C-N 3.26Å; Q642-R644 PolarHBondContact O-N 3.21Å |
| 645 | R | 80.8 | Confident | 89.3 | Confident | 245 Ų | 245 | 63.3 Ų | 63.3 | 93% | 0.925 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -3 | 179.8 | -60.3 | -173.9 | -177.1 | -170.8 | 1.7 | 114 | G643 | G643-R645 PolarHBondContact O-N 3.49Š|
| 646 | R | 80 | Confident | 89.1 | Confident | 147 Ų | 147 | 67.5 Ų | 67.5 | 56% | 0.555 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.2 | -25.9 | -168.7 | -65.3 | -172.9 | 178.3 | -155.5 | -0.5 | 114.7 | G643 | G643-R646 PolarHBondContact O-N 3.28Š|
| 647 | L | 84.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 68.6 Ų | 68.6 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -101.4 | 156.2 | -176 | -58.3 | 177.2 | 0 | 0 | 0 | 111.6 | L581 G643 I651 | L581-L647 HydrophobicContact CD2-CD1 3.67Å; L581-L647 HydrophobicContact CD2-CD2 3.87Å; L581-L647 HydrophobicContact CD2-CG 4.45Å; G643-L647 PolarHBondContact O-N 3.04Å; L647-I651 HydrophobicContact CD1-CG2 4.18Å; L647-I651 HydrophobicContact CD2-CG2 4.48Å |
| 648 | T | 85.4 | Confident | 88.7 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | trans | -71.3 | 155.5 | 169.6 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | S650 I651 L652 | T648-S650 VanDerWaalsContact C-N 3.31Å; T648-S650 PolarHBondContact O-N 3.28Å; T648-I651 PolarHBondContact O-N 2.65Å; T648-I651 WeakPolarHBondContact OG1-CG1 3.26Å; T648-L652 PolarHBondContact O-N 2.89Å | ||
| 649 | S | 86.2 | Confident | 88.6 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 55% | 0.552 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -55.1 | -45.6 | -177.1 | -156.9 | 0 | 0 | 0 | 0 | 112.1 | I651 L652 D653 | S649-I651 PolarHBondContact O-N 2.94Å; S649-L652 CarbonylContact O-C 3.59Å; S649-L652 WeakPolarHBondContact O-CB 3.43Å; S649-L652 PolarHBondContact O-N 2.97Å; S649-L652 VanDerWaalsContact O-N 3.09Å; S649-D653 WeakPolarHBondContact O-CB 3.36Å; S649-D653 PolarHBondContact O-N 3.38Å; S649-D653 PolarHBondContact OG-OD2 3.23Å |
| 650 | S | 87.1 | Confident | 88.5 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53 | -52.3 | 179.2 | -164.5 | 0 | 0 | 0 | 0 | 112.3 | T648 L652 D653 D654 | T648-S650 VanDerWaalsContact C-N 3.31Å; T648-S650 PolarHBondContact O-N 3.28Å; S650-L652 VanDerWaalsContact C-N 3.3Å; S650-L652 PolarHBondContact O-N 2.94Å; S650-D653 PolarHBondContact O-N 3.28Å; S650-D654 PolarHBondContact O-N 3.36Å; S650-D654 VanDerWaalsContact O-OD2 3.13Å |
| 651 | I | 85.8 | Confident | 88.4 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | -178.7 | -58.7 | 173.6 | 0 | 0 | 0 | 110.7 | L581 L647 T648 S649 C655 | L581-I651 HydrophobicContact CD2-CG2 4.18Å; L647-I651 HydrophobicContact CD1-CG2 4.18Å; L647-I651 HydrophobicContact CD2-CG2 4.48Å; T648-I651 PolarHBondContact O-N 2.65Å; T648-I651 WeakPolarHBondContact OG1-CG1 3.26Å; S649-I651 PolarHBondContact O-N 2.94Å; I651-C655 WeakPolarHBondContact O-CB 3.16Å; I651-C655 PolarHBondContact O-N 2.96Å; I651-C655 PolarHBondContact O-SG 2.67Å |
| 652 | L | 90.2 | Very high | 88.4 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 175.4 | -175.7 | 63.4 | 0 | 0 | 0 | 112.1 | V640 T648 S649 S650 C655 R656 | V640-L652 HydrophobicContact CG1-CD1 4.19Å; T648-L652 PolarHBondContact O-N 2.89Å; S649-L652 CarbonylContact O-C 3.59Å; S649-L652 WeakPolarHBondContact O-CB 3.43Å; S649-L652 PolarHBondContact O-N 2.97Å; S649-L652 VanDerWaalsContact O-N 3.09Å; S650-L652 VanDerWaalsContact C-N 3.3Å; S650-L652 PolarHBondContact O-N 2.94Å; L652-C655 PolarHBondContact O-N 2.98Å; L652-R656 WeakPolarHBondContact O-CB 3.36Å; L652-R656 WeakPolarHBondContact O-CD 3.19Å; L652-R656 WeakPolarHBondContact O-CG 3.36Å; L652-R656 PolarHBondContact O-N 2.77Å |
| 653 | D | 89.6 | Confident | 88.6 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -75.7 | -34.5 | -179.5 | -68.4 | -44.3 | 0 | 0 | 0 | 112.1 | S649 S650 R656 A657 | S649-D653 WeakPolarHBondContact O-CB 3.36Å; S649-D653 PolarHBondContact O-N 3.38Å; S649-D653 PolarHBondContact OG-OD2 3.23Å; S650-D653 PolarHBondContact O-N 3.28Å; D653-R656 PolarHBondContact O-N 2.87Å; D653-R656 WeakPolarHBondContact OD1-CD 3.42Å; D653-R656 IonicContact OD1-CZ 2.6Å; D653-R656 IonicContact OD1-NE 3.65Å; D653-R656 IonicContact OD1-NH1 2.8Å; D653-R656 PolarHBondContact OD1-NH1 3.12Å; D653-A657 PolarHBondContact O-N 2.73Å |
| 654 | D | 89 | Confident | 88.9 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 163.4 | -74.5 | -48.8 | 0 | 0 | 0 | 111.2 | S650 R656 A657 N658 N1135 | S650-D654 PolarHBondContact O-N 3.36Å; S650-D654 VanDerWaalsContact O-OD2 3.13Å; D654-R656 PolarHBondContact O-N 3.31Å; D654-A657 WeakPolarHBondContact O-CA 3.07Å; D654-A657 WeakPolarHBondContact O-CB 3.44Å; D654-A657 PolarHBondContact O-N 2.77Å; D654-N658 PolarHBondContact O-N 2.61Å; D654-N658 PolarHBondContact O-OD1 3.42Å; D654-N1135 PolarHBondContact OD1-ND2 2.76Å |
| 655 | C | 90.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -34.3 | 177.3 | -72.4 | 0 | 0 | 0 | 0 | 112.5 | Q636 V640 I651 L652 E659 | Q636-C655 VanDerWaalsContact NE2-CA 3.33Å; Q636-C655 PolarHBondContact NE2-O 3.14Å; V640-C655 HydrophobicContact CG2-CB 3.67Å; V640-C655 WeakPolarHBondContact CG2-O 3.41Å; I651-C655 WeakPolarHBondContact O-CB 3.16Å; I651-C655 PolarHBondContact O-N 2.96Å; I651-C655 PolarHBondContact O-SG 2.67Å; L652-C655 PolarHBondContact O-N 2.98Å; C655-E659 WeakPolarHBondContact O-CB 3.42Å; C655-E659 PolarHBondContact O-N 2.7Å |
| 656 | R | 91.4 | Very high | 89.8 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.5 | -29.6 | 171.2 | -72.7 | 159.7 | 169 | 173 | -2.9 | 112.8 | V640 L652 D653 D654 R660 | V640-R656 HydrophobicContact CG1-CG 3.92Å; V640-R656 HydrophobicContact CG2-CG 4.36Å; L652-R656 WeakPolarHBondContact O-CB 3.36Å; L652-R656 WeakPolarHBondContact O-CD 3.19Å; L652-R656 WeakPolarHBondContact O-CG 3.36Å; L652-R656 PolarHBondContact O-N 2.77Å; D653-R656 PolarHBondContact O-N 2.87Å; D653-R656 WeakPolarHBondContact OD1-CD 3.42Å; D653-R656 IonicContact OD1-CZ 2.6Å; D653-R656 IonicContact OD1-NE 3.65Å; D653-R656 IonicContact OD1-NH1 2.8Å; D653-R656 PolarHBondContact OD1-NH1 3.12Å; D654-R656 PolarHBondContact O-N 3.31Å; R656-R660 WeakPolarHBondContact O-CB 3.48Å; R656-R660 WeakPolarHBondContact O-CG 3.49Å; R656-R660 PolarHBondContact O-N 2.88Å; R656-R660 VanDerWaalsContact O-N 3.13Å; R656-R660 PolarHBondContact O-NE 2.95Å |
| 657 | A | 91.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 19% | 0.19 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D653 D654 E659 R660 A661 | D653-A657 PolarHBondContact O-N 2.73Å; D654-A657 WeakPolarHBondContact O-CA 3.07Å; D654-A657 WeakPolarHBondContact O-CB 3.44Å; D654-A657 PolarHBondContact O-N 2.77Å; A657-E659 PolarHBondContact O-N 3.43Å; A657-R660 VanDerWaalsContact CA-NH2 3.35Å; A657-R660 PolarHBondContact O-N 3.45Å; A657-A661 PolarHBondContact O-N 2.9Å |
| 658 | N | 92.3 | Very high | 90.6 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.6 | -49.1 | 172.5 | -61.4 | -7.4 | 0 | 0 | 0 | 111 | L589 Q636 D654 R660 A661 L662 A1137 | L589-N658 HydrophobicContact CD2-CB 4.03Å; Q636-N658 HydrophobicContact CG-CB 4.13Å; D654-N658 PolarHBondContact O-N 2.61Å; D654-N658 PolarHBondContact O-OD1 3.42Å; N658-R660 VanDerWaalsContact C-N 3.35Å; N658-R660 PolarHBondContact O-N 3.31Å; N658-A661 PolarHBondContact O-N 3.2Å; N658-L662 WeakPolarHBondContact O-CB 3.35Å; N658-L662 WeakPolarHBondContact O-CG 3.46Å; N658-L662 PolarHBondContact O-N 2.96Å; N658-A1137 WeakPolarHBondContact OD1-CB 3.41Å |
| 659 | E | 93 | Very high | 90.9 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 16% | 0.164 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.2 | -45.7 | 177.4 | -167.2 | -162.9 | 157.1 | 0 | 0 | 112.3 | Q636 C655 A657 K663 | Q636-E659 HydrophobicContact CG-CB 4.02Å; C655-E659 WeakPolarHBondContact O-CB 3.42Å; C655-E659 PolarHBondContact O-N 2.7Å; A657-E659 PolarHBondContact O-N 3.43Å; E659-K663 HydrophobicContact CG-CD 4.25Å; E659-K663 WeakPolarHBondContact O-CB 3.34Å; E659-K663 VanDerWaalsContact O-CG 3.31Å; E659-K663 WeakPolarHBondContact O-CG 3.3Å; E659-K663 PolarHBondContact O-N 3.37Å; E659-K663 IonicContact OE1-NZ 2.73Å; E659-K663 PolarHBondContact OE1-NZ 3.27Å |
| 660 | R | 91.1 | Very high | 91.2 | Very high | 155 Ų | 155 | 39.1 Ų | 39.1 | 59% | 0.585 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -64.7 | -42.6 | 177.2 | -78.1 | 173.6 | -73.9 | 153.3 | -5.4 | 112.4 | R656 A657 N658 T664 | R656-R660 WeakPolarHBondContact O-CB 3.48Å; R656-R660 WeakPolarHBondContact O-CG 3.49Å; R656-R660 PolarHBondContact O-N 2.88Å; R656-R660 VanDerWaalsContact O-N 3.13Å; R656-R660 PolarHBondContact O-NE 2.95Å; A657-R660 VanDerWaalsContact CA-NH2 3.35Å; A657-R660 PolarHBondContact O-N 3.45Å; N658-R660 VanDerWaalsContact C-N 3.35Å; N658-R660 PolarHBondContact O-N 3.31Å; R660-T664 WeakPolarHBondContact O-CB 3.29Å; R660-T664 PolarHBondContact O-N 2.95Å; R660-T664 PolarHBondContact O-OG1 2.92Å |
| 661 | A | 92 | Very high | 91.5 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A657 N658 K663 T664 V665 A1137 L1141 | A657-A661 PolarHBondContact O-N 2.9Å; N658-A661 PolarHBondContact O-N 3.2Å; A661-K663 PolarHBondContact O-N 2.91Å; A661-T664 WeakPolarHBondContact O-CB 3.37Å; A661-T664 PolarHBondContact O-N 3.47Å; A661-T664 VanDerWaalsContact O-N 3.11Å; A661-V665 WeakPolarHBondContact O-CG2 3.35Å; A661-V665 PolarHBondContact O-N 3.4Å; A661-A1137 HydrophobicContact CB-CB 3.76Å; A661-A1137 WeakPolarHBondContact CB-O 3.42Å; A661-L1141 HydrophobicContact CB-CD1 4.49Å; A661-L1141 HydrophobicContact CB-CD2 4.26Å; A661-L1141 HydrophobicContact CB-CG 4.27Å |
| 662 | L | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 178.2 | -65.4 | 166.9 | 0 | 0 | 0 | 111.9 | I588 A592 L629 V633 Q636 N658 T664 V665 L666 L1140 | I588-L662 HydrophobicContact CG2-CD1 3.62Å; I588-L662 HydrophobicContact CG2-CD2 4.4Å; A592-L662 HydrophobicContact CB-CD2 3.25Å; L629-L662 HydrophobicContact CD1-CD2 4.01Å; V633-L662 HydrophobicContact CG2-CB 3.57Å; Q636-L662 HydrophobicContact CB-CD1 3.79Å; Q636-L662 HydrophobicContact CG-CD1 3.92Å; N658-L662 WeakPolarHBondContact O-CB 3.35Å; N658-L662 WeakPolarHBondContact O-CG 3.46Å; N658-L662 PolarHBondContact O-N 2.96Å; L662-T664 VanDerWaalsContact C-N 3.32Å; L662-T664 PolarHBondContact O-N 3.24Å; L662-V665 PolarHBondContact O-N 2.99Å; L662-L666 WeakPolarHBondContact O-CB 3.44Å; L662-L666 PolarHBondContact O-N 2.95Å; L662-L1140 HydrophobicContact CD2-CD1 3.95Å |
| 663 | K | 93.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 32 Ų | 32 | 36% | 0.357 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61 | -39.9 | 174.9 | -75.9 | 175.3 | 178 | 178.6 | 0 | 112.1 | V633 E659 A661 L666 E667 | V633-K663 HydrophobicContact CG1-CD 4.21Å; V633-K663 VanDerWaalsContact CG1-CE 3.5Å; V633-K663 HydrophobicContact CG1-CG 3.56Å; V633-K663 HydrophobicContact CG2-CG 4.13Å; E659-K663 HydrophobicContact CG-CD 4.25Å; E659-K663 WeakPolarHBondContact O-CB 3.34Å; E659-K663 VanDerWaalsContact O-CG 3.31Å; E659-K663 WeakPolarHBondContact O-CG 3.3Å; E659-K663 PolarHBondContact O-N 3.37Å; E659-K663 IonicContact OE1-NZ 2.73Å; E659-K663 PolarHBondContact OE1-NZ 3.27Å; A661-K663 PolarHBondContact O-N 2.91Å; K663-L666 PolarHBondContact O-N 2.91Å; K663-E667 WeakPolarHBondContact O-CG 3.16Å; K663-E667 PolarHBondContact O-N 3.29Å |
| 664 | T | 91.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 29.9 Ų | 29.9 | 15% | 0.153 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 179.3 | -58.5 | 0 | 0 | 0 | 0 | 112 | R660 A661 L662 Y668 M741 L1141 | R660-T664 WeakPolarHBondContact O-CB 3.29Å; R660-T664 PolarHBondContact O-N 2.95Å; R660-T664 PolarHBondContact O-OG1 2.92Å; A661-T664 WeakPolarHBondContact O-CB 3.37Å; A661-T664 PolarHBondContact O-N 3.47Å; A661-T664 VanDerWaalsContact O-N 3.11Å; L662-T664 VanDerWaalsContact C-N 3.32Å; L662-T664 PolarHBondContact O-N 3.24Å; T664-Y668 PolarHBondContact O-N 3.4Å; T664-Y668 VanDerWaalsContact O-N 3.15Å; T664-M741 WeakPolarHBondContact CG2-O 3.4Å; T664-L1141 HydrophobicContact CG2-CD2 3.76Å |
| 665 | V | 92.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | K596 L629 A661 L662 Y668 Q669 L742 L1140 L1141 | K596-V665 HydrophobicContact CB-CG1 4.09Å; K596-V665 HydrophobicContact CD-CG1 4Å; K596-V665 HydrophobicContact CD-CG2 4.19Å; K596-V665 HydrophobicContact CG-CG1 3.91Å; L629-V665 HydrophobicContact CD2-CB 4.15Å; L629-V665 HydrophobicContact CD2-CG1 3.75Å; A661-V665 WeakPolarHBondContact O-CG2 3.35Å; A661-V665 PolarHBondContact O-N 3.4Å; L662-V665 PolarHBondContact O-N 2.99Å; V665-Y668 PolarHBondContact O-N 2.99Å; V665-Q669 WeakPolarHBondContact O-CG 3.36Å; V665-Q669 PolarHBondContact O-N 2.99Å; V665-L742 HydrophobicContact CG2-CD2 4.38Å; V665-L1140 HydrophobicContact CG2-CB 4.37Å; V665-L1140 WeakPolarHBondContact CG2-O 3.29Å; V665-L1141 HydrophobicContact CG2-CD2 4.23Å |
| 666 | L | 93.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.1 | -46 | 178.1 | -178.8 | 64.1 | 0 | 0 | 0 | 112.1 | S626 L629 R630 V633 L662 K663 Q669 R670 | S626-L666 WeakPolarHBondContact O-CD1 3.22Å; L629-L666 HydrophobicContact CB-CD1 4.28Å; L629-L666 HydrophobicContact CD2-CB 4Å; L629-L666 HydrophobicContact CD2-CD1 4.25Å; L629-L666 HydrophobicContact CG-CB 4.25Å; L629-L666 HydrophobicContact CG-CD1 4.27Å; R630-L666 HydrophobicContact CB-CD1 4.34Å; R630-L666 HydrophobicContact CB-CD2 4.14Å; R630-L666 HydrophobicContact CG-CD2 4.2Å; V633-L666 HydrophobicContact CG2-CB 4.5Å; V633-L666 HydrophobicContact CG2-CD2 4.14Å; L662-L666 WeakPolarHBondContact O-CB 3.44Å; L662-L666 PolarHBondContact O-N 2.95Å; K663-L666 PolarHBondContact O-N 2.91Å; L666-Q669 PolarHBondContact O-N 3.46Å; L666-R670 WeakPolarHBondContact O-CG 3.41Å; L666-R670 PolarHBondContact O-N 3.42Å |
| 667 | E | 91.5 | Very high | 91.4 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 12% | 0.117 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | 178.2 | -63.9 | -51.6 | 129.8 | 0 | 0 | 112.3 | K663 R670 V671 M741 L748 | K663-E667 WeakPolarHBondContact O-CG 3.16Å; K663-E667 PolarHBondContact O-N 3.29Å; E667-R670 PolarHBondContact O-N 3.03Å; E667-R670 WeakPolarHBondContact OE1-CD 3.45Å; E667-R670 IonicContact OE1-CZ 2.69Å; E667-R670 IonicContact OE1-NE 2.8Å; E667-R670 IonicContact OE1-NH1 2.68Å; E667-R670 PolarHBondContact OE1-NH1 2.88Å; E667-R670 IonicContact OE2-CZ 3.15Å; E667-R670 IonicContact OE2-NE 3.45Å; E667-R670 IonicContact OE2-NH1 3.02Å; E667-R670 PolarHBondContact OE2-NH1 3.33Å; E667-V671 WeakPolarHBondContact O-CB 2.79Å; E667-V671 WeakPolarHBondContact O-CG2 3.4Å; E667-V671 PolarHBondContact O-N 3.45Å; E667-M741 HydrophobicContact CB-CE 3.69Å; E667-L748 HydrophobicContact CB-CD1 4.25Å; E667-L748 HydrophobicContact CG-CD1 4.27Å; E667-L748 HydrophobicContact CG-CD2 4.24Å |
| 668 | Y | 91.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58 | -48.6 | 167.7 | 162.5 | -94.1 | 0 | 0 | 0 | 111.9 | T664 V665 R670 V671 L672 I738 H739 M741 L742 | T664-Y668 PolarHBondContact O-N 3.4Å; T664-Y668 VanDerWaalsContact O-N 3.15Å; V665-Y668 PolarHBondContact O-N 2.99Å; Y668-R670 PolarHBondContact O-N 3.43Å; Y668-V671 PolarHBondContact O-N 3.29Å; Y668-L672 HydrophobicContact CE1-CD2 4.17Å; Y668-L672 WeakPolarHBondContact O-CB 3.47Å; Y668-L672 PolarHBondContact O-N 3.39Å; Y668-I738 HydrophobicContact CD2-CG2 4Å; Y668-I738 HydrophobicContact CE2-CG2 3.87Å; Y668-H739 AromaticContact CE2-CE1 3.51Å; Y668-H739 AromaticContact CE2-ND1 3.65Å; Y668-H739 AromaticContact CE2-NE2 3.51Å; Y668-H739 AromaticContact CZ-NE2 3.22Å; Y668-H739 PolarHBondContact OH-NE2 3.1Å; Y668-M741 HydrophobicContact CD2-CB 4.2Å; Y668-L742 HydrophobicContact CD1-CD2 3.86Å; Y668-L742 HydrophobicContact CD1-CG 4.37Å; Y668-L742 HydrophobicContact CD2-CD1 4.15Å; Y668-L742 HydrophobicContact CD2-CD2 4.03Å; Y668-L742 HydrophobicContact CD2-CG 3.71Å; Y668-L742 HydrophobicContact CE2-CD1 4.11Å; Y668-L742 HydrophobicContact CE2-CG 4.2Å; Y668-L742 HydrophobicContact CG-CD1 4.4Å; Y668-L742 HydrophobicContact CG-CD2 3.56Å; Y668-L742 HydrophobicContact CG-CG 3.81Å |
| 669 | Q | 91.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -40.4 | 178.8 | -74.9 | -176.1 | -13.4 | 0 | 0 | 112.4 | C599 F622 L629 V665 L666 L672 L673 | C599-Q669 PolarHBondContact SG-NE2 2.99Å; C599-Q669 VanDerWaalsContact SG-NE2 3.39Å; F622-Q669 HydrophobicContact CE1-CB 4.06Å; F622-Q669 WeakPolarHBondContact CE1-O 3.38Å; F622-Q669 HydrophobicContact CZ-CB 4.03Å; F622-Q669 HydrophobicContact CZ-CG 4.12Å; L629-Q669 VanDerWaalsContact CD2-OE1 3.26Å; V665-Q669 WeakPolarHBondContact O-CG 3.36Å; V665-Q669 PolarHBondContact O-N 2.99Å; L666-Q669 PolarHBondContact O-N 3.46Å; Q669-L672 PolarHBondContact O-N 2.86Å; Q669-L673 WeakPolarHBondContact O-CB 3.12Å; Q669-L673 PolarHBondContact O-N 3Å |
| 670 | R | 92.2 | Very high | 90.1 | Very high | 58 Ų | 58 | 28.6 Ų | 28.6 | 22% | 0.219 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -46.2 | 175.4 | -73.8 | 175.6 | 66.2 | -169.5 | -1 | 112.1 | L666 E667 Y668 W674 A773 F774 | L666-R670 WeakPolarHBondContact O-CG 3.41Å; L666-R670 PolarHBondContact O-N 3.42Å; E667-R670 PolarHBondContact O-N 3.03Å; E667-R670 WeakPolarHBondContact OE1-CD 3.45Å; E667-R670 IonicContact OE1-CZ 2.69Å; E667-R670 IonicContact OE1-NE 2.8Å; E667-R670 IonicContact OE1-NH1 2.68Å; E667-R670 PolarHBondContact OE1-NH1 2.88Å; E667-R670 IonicContact OE2-CZ 3.15Å; E667-R670 IonicContact OE2-NE 3.45Å; E667-R670 IonicContact OE2-NH1 3.02Å; E667-R670 PolarHBondContact OE2-NH1 3.33Å; Y668-R670 PolarHBondContact O-N 3.43Å; R670-W674 VanDerWaalsContact O-CB 3.29Å; R670-W674 WeakPolarHBondContact O-CB 3.3Å; R670-W674 PolarHBondContact O-N 3.33Å; R670-A773 PolarHBondContact NH2-O 3.15Å; R670-F774 HydrophobicContact CB-CE1 3.69Å; R670-F774 HydrophobicContact CB-CZ 3.92Å |
| 671 | V | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | E667 Y668 L673 W674 F675 I738 M741 I755 F770 F774 | E667-V671 WeakPolarHBondContact O-CB 2.79Å; E667-V671 WeakPolarHBondContact O-CG2 3.4Å; E667-V671 PolarHBondContact O-N 3.45Å; Y668-V671 PolarHBondContact O-N 3.29Å; V671-L673 PolarHBondContact O-N 3.42Å; V671-W674 PolarHBondContact O-N 2.97Å; V671-F675 HydrophobicContact CG1-CD2 3.91Å; V671-F675 HydrophobicContact CG1-CE2 3.87Å; V671-F675 VanDerWaalsContact O-CD2 3.29Å; V671-F675 WeakPolarHBondContact O-CD2 3.31Å; V671-F675 PolarHBondContact O-N 2.94Å; V671-I738 HydrophobicContact CG1-CG1 4.39Å; V671-I738 HydrophobicContact CG1-CG2 4.28Å; V671-M741 HydrophobicContact CB-CG 4.43Å; V671-M741 HydrophobicContact CG1-CG 4.47Å; V671-M741 HydrophobicContact CG2-CE 3.86Å; V671-M741 HydrophobicContact CG2-CG 4.34Å; V671-M741 HydrophobicContact CG2-SD 4.29Å; V671-I755 HydrophobicContact CB-CD1 4.47Å; V671-I755 HydrophobicContact CG1-CD1 3.78Å; V671-I755 HydrophobicContact CG2-CD1 3.85Å; V671-F770 HydrophobicContact CG2-CE2 4.47Å; V671-F770 HydrophobicContact CG2-CZ 4.3Å; V671-F774 HydrophobicContact CB-CZ 4.47Å; V671-F774 HydrophobicContact CG2-CE1 3.74Å; V671-F774 HydrophobicContact CG2-CZ 3.79Å |
| 672 | L | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.2 | -50.3 | 179.4 | 178.8 | 51.3 | 0 | 0 | 0 | 112.2 | C603 F607 F622 Y668 Q669 W674 F675 I676 L681 I738 | C603-L672 HydrophobicContact CB-CD2 4.13Å; F607-L672 HydrophobicContact CE1-CD1 4.44Å; F607-L672 HydrophobicContact CE2-CD1 4.34Å; F607-L672 HydrophobicContact CZ-CD1 3.61Å; F622-L672 HydrophobicContact CE2-CD2 4.34Å; F622-L672 HydrophobicContact CZ-CD2 4.27Å; F622-L672 HydrophobicContact CZ-CG 4.38Å; Y668-L672 HydrophobicContact CE1-CD2 4.17Å; Y668-L672 WeakPolarHBondContact O-CB 3.47Å; Y668-L672 PolarHBondContact O-N 3.39Å; Q669-L672 PolarHBondContact O-N 2.86Å; L672-W674 PolarHBondContact O-N 2.87Å; L672-F675 PolarHBondContact O-N 3.29Å; L672-I676 HydrophobicContact CD1-CD1 4.08Å; L672-I676 HydrophobicContact CG-CD1 4.17Å; L672-I676 WeakPolarHBondContact O-CD1 3.45Å; L672-I676 WeakPolarHBondContact O-CG1 3.45Å; L672-I676 PolarHBondContact O-N 2.96Å; L672-I676 VanDerWaalsContact O-N 3.15Å; L672-L681 HydrophobicContact CD1-CD1 3.64Å; L672-I738 HydrophobicContact CB-CG2 4.34Å |
| 673 | L | 89.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 24.3 Ų | 24.3 | 12% | 0.115 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 176.6 | -178.7 | 64.3 | 0 | 0 | 0 | 111.9 | F622 Q623 Q669 V671 F675 I676 D677 | F622-L673 HydrophobicContact CD1-CB 4.01Å; F622-L673 HydrophobicContact CD1-CD1 4.01Å; F622-L673 HydrophobicContact CD1-CD2 4.17Å; F622-L673 HydrophobicContact CD1-CG 4.29Å; F622-L673 HydrophobicContact CE1-CB 3.73Å; F622-L673 HydrophobicContact CE1-CG 4.49Å; Q623-L673 HydrophobicContact CG-CD1 4.49Å; Q623-L673 HydrophobicContact CG-CD2 3.64Å; Q669-L673 WeakPolarHBondContact O-CB 3.12Å; Q669-L673 PolarHBondContact O-N 3Å; V671-L673 PolarHBondContact O-N 3.42Å; L673-F675 VanDerWaalsContact C-N 3.3Å; L673-F675 PolarHBondContact O-N 2.73Å; L673-I676 WeakPolarHBondContact O-CB 3.5Å; L673-I676 PolarHBondContact O-N 2.99Å; L673-I676 VanDerWaalsContact O-N 3.1Å; L673-D677 PolarHBondContact O-N 3.19Å |
| 674 | W | 92.2 | Very high | 85.9 | Confident | 19 Ų | 19 | 22.2 Ų | 22.2 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -36.2 | 179.7 | -175.3 | 101.1 | 0 | 0 | 0 | 112.4 | R670 V671 L672 H678 L680 L759 L766 R769 F770 F774 | R670-W674 VanDerWaalsContact O-CB 3.29Å; R670-W674 WeakPolarHBondContact O-CB 3.3Å; R670-W674 PolarHBondContact O-N 3.33Å; V671-W674 PolarHBondContact O-N 2.97Å; L672-W674 PolarHBondContact O-N 2.87Å; W674-H678 AromaticContact CD1-CE1 3.68Å; W674-H678 AromaticContact CD1-ND1 3.86Å; W674-H678 AromaticContact CD2-CE1 3.93Å; W674-H678 AromaticContact CD2-ND1 3.51Å; W674-H678 AromaticContact CE2-CE1 3.38Å; W674-H678 AromaticContact CE2-ND1 3.39Å; W674-H678 AromaticContact CG-ND1 3.82Å; W674-H678 AromaticContact CZ2-CE1 3.84Å; W674-H678 AromaticContact CZ2-ND1 3.85Å; W674-H678 AromaticContact NE1-CE1 3.23Å; W674-H678 PolarHBondContact NE1-CE1 3.34Å; W674-H678 AromaticContact NE1-ND1 3.63Å; W674-H678 WeakPolarHBondContact O-CB 3.31Å; W674-H678 PolarHBondContact O-N 3.31Å; W674-H678 VanDerWaalsContact O-N 3.09Å; W674-H678 PolarHBondContact O-ND1 3.45Å; W674-L680 HydrophobicContact CZ3-CD1 3.98Å; W674-L759 HydrophobicContact CH2-CD1 3.61Å; W674-L759 HydrophobicContact CH2-CD2 3.95Å; W674-L759 HydrophobicContact CH2-CG 4.45Å; W674-L759 HydrophobicContact CZ3-CD1 3.8Å; W674-L759 HydrophobicContact CZ3-CD2 3.82Å; W674-L759 HydrophobicContact CZ3-CG 4.48Å; W674-L766 HydrophobicContact CH2-CB 4.04Å; W674-R769 HydrophobicContact CZ2-CB 4.25Å; W674-F770 AromaticContact CD2-CD2 3.77Å; W674-F770 HydrophobicContact CD2-CD2 3.77Å; W674-F770 HydrophobicContact CD2-CE2 4.32Å; W674-F770 AromaticContact CE2-CD2 3.73Å; W674-F770 AromaticContact CE3-CD2 3.81Å; W674-F770 HydrophobicContact CE3-CD2 3.81Å; W674-F770 HydrophobicContact CE3-CE2 4.23Å; W674-F770 HydrophobicContact CG-CD2 4.48Å; W674-F770 HydrophobicContact CH2-CB 3.94Å; W674-F770 AromaticContact CH2-CD2 3.78Å; W674-F770 HydrophobicContact CH2-CD2 3.78Å; W674-F770 HydrophobicContact CH2-CG 4.32Å; W674-F770 HydrophobicContact CZ2-CB 3.63Å; W674-F770 AromaticContact CZ2-CD2 3.76Å; W674-F770 HydrophobicContact CZ2-CD2 3.76Å; W674-F770 HydrophobicContact CZ2-CG 4.21Å; W674-F770 AromaticContact CZ3-CD2 3.82Å; W674-F770 HydrophobicContact CZ3-CD2 3.82Å; W674-F770 HydrophobicContact CZ3-CE2 4.5Å; W674-F774 HydrophobicContact CB-CE2 4.09Å; W674-F774 HydrophobicContact CB-CZ 4.29Å; W674-F774 AromaticContact CD1-CE2 3.93Å; W674-F774 HydrophobicContact CD2-CE2 4.49Å; W674-F774 AromaticContact CG-CE2 3.92Å; W674-F774 HydrophobicContact CG-CE2 3.92Å |
| 675 | F | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -36.6 | 174 | -91.1 | -116.8 | 0 | 0 | 0 | 112.2 | V671 L672 L673 G679 L680 L681 L734 I738 I755 L759 | V671-F675 HydrophobicContact CG1-CD2 3.91Å; V671-F675 HydrophobicContact CG1-CE2 3.87Å; V671-F675 VanDerWaalsContact O-CD2 3.29Å; V671-F675 WeakPolarHBondContact O-CD2 3.31Å; V671-F675 PolarHBondContact O-N 2.94Å; L672-F675 PolarHBondContact O-N 3.29Å; L673-F675 VanDerWaalsContact C-N 3.3Å; L673-F675 PolarHBondContact O-N 2.73Å; F675-G679 PolarHBondContact O-N 3.43Å; F675-L680 HydrophobicContact CB-CB 4.35Å; F675-L680 HydrophobicContact CD1-CB 3.73Å; F675-L680 HydrophobicContact CD1-CD1 3.65Å; F675-L680 HydrophobicContact CD1-CG 4.36Å; F675-L680 HydrophobicContact CD2-CD1 4.49Å; F675-L680 HydrophobicContact CE1-CB 4.43Å; F675-L680 HydrophobicContact CE1-CD1 3.77Å; F675-L680 HydrophobicContact CG-CB 4.31Å; F675-L680 HydrophobicContact CG-CD1 4.04Å; F675-L680 HydrophobicContact CZ-CD1 4.25Å; F675-L680 PolarHBondContact O-N 3.26Å; F675-L681 HydrophobicContact CB-CD1 3.88Å; F675-L681 HydrophobicContact CB-CG 4.16Å; F675-L734 HydrophobicContact CE1-CD2 4.47Å; F675-I738 HydrophobicContact CB-CD1 4.32Å; F675-I738 HydrophobicContact CD1-CD1 3.83Å; F675-I738 HydrophobicContact CE1-CD1 4.27Å; F675-I738 HydrophobicContact CG-CD1 3.99Å; F675-I755 HydrophobicContact CE2-CG2 3.92Å; F675-I755 HydrophobicContact CZ-CG2 4.14Å; F675-L759 HydrophobicContact CZ-CD2 4.36Å |
| 676 | I | 87.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 32.5 Ų | 32.5 | 6% | 0.056 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -48.9 | 174.9 | -63.5 | 160.3 | 0 | 0 | 0 | 110.4 | I606 L614 L672 L673 H678 G679 L681 | I606-I676 HydrophobicContact CD1-CD1 3.44Å; I606-I676 VanDerWaalsContact CD1-CD1 3.44Å; I606-I676 HydrophobicContact CD1-CG1 3.98Å; L614-I676 HydrophobicContact CD1-CD1 4.05Å; L614-I676 HydrophobicContact CG-CG2 4.45Å; L672-I676 HydrophobicContact CD1-CD1 4.08Å; L672-I676 HydrophobicContact CG-CD1 4.17Å; L672-I676 WeakPolarHBondContact O-CD1 3.45Å; L672-I676 WeakPolarHBondContact O-CG1 3.45Å; L672-I676 PolarHBondContact O-N 2.96Å; L672-I676 VanDerWaalsContact O-N 3.15Å; L673-I676 WeakPolarHBondContact O-CB 3.5Å; L673-I676 PolarHBondContact O-N 2.99Å; L673-I676 VanDerWaalsContact O-N 3.1Å; I676-H678 PolarHBondContact O-N 2.92Å; I676-G679 PolarHBondContact O-N 3.13Å; I676-L681 HydrophobicContact CG1-CB 4.19Å; I676-L681 HydrophobicContact CG1-CD1 4.22Å |
| 677 | D | 86.9 | Confident | 79.9 | Confident | 78 Ų | 78 | 36.6 Ų | 36.6 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.3 | -26.4 | -178.9 | -72.8 | -23.5 | 0 | 0 | 0 | 113 | L673 | L673-D677 PolarHBondContact O-N 3.19Å |
| 678 | H | 86 | Confident | 77.4 | Confident | 54 Ų | 54 | 42.8 Ų | 42.8 | 25% | 0.25 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 4.2 | 173.8 | -70 | 79.9 | 0 | 0 | 0 | 114.1 | W674 I676 L680 L766 | W674-H678 AromaticContact CD1-CE1 3.68Å; W674-H678 AromaticContact CD1-ND1 3.86Å; W674-H678 AromaticContact CD2-CE1 3.93Å; W674-H678 AromaticContact CD2-ND1 3.51Å; W674-H678 AromaticContact CE2-CE1 3.38Å; W674-H678 AromaticContact CE2-ND1 3.39Å; W674-H678 AromaticContact CG-ND1 3.82Å; W674-H678 AromaticContact CZ2-CE1 3.84Å; W674-H678 AromaticContact CZ2-ND1 3.85Å; W674-H678 AromaticContact NE1-CE1 3.23Å; W674-H678 PolarHBondContact NE1-CE1 3.34Å; W674-H678 AromaticContact NE1-ND1 3.63Å; W674-H678 WeakPolarHBondContact O-CB 3.31Å; W674-H678 PolarHBondContact O-N 3.31Å; W674-H678 VanDerWaalsContact O-N 3.09Å; W674-H678 PolarHBondContact O-ND1 3.45Å; I676-H678 PolarHBondContact O-N 2.92Å; H678-L680 VanDerWaalsContact C-N 3.32Å; H678-L680 PolarHBondContact O-N 3.23Å; H678-L766 HydrophobicContact CB-CD2 4.46Å |
| 679 | G | 79.7 | Confident | 74.9 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 41% | 0.412 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 23.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F675 I676 L681 H686 | F675-G679 PolarHBondContact O-N 3.43Å; I676-G679 PolarHBondContact O-N 3.13Å; G679-L681 VanDerWaalsContact C-N 3.28Å; G679-H686 PolarHBondContact O-CE1 3.07Å |
| 680 | L | 82.4 | Confident | 72.2 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | trans | -80.7 | -12.2 | 172.3 | -62.3 | 176 | 0 | 0 | 0 | 112.4 | W674 F675 H678 L734 L759 L766 | W674-L680 HydrophobicContact CZ3-CD1 3.98Å; F675-L680 HydrophobicContact CB-CB 4.35Å; F675-L680 HydrophobicContact CD1-CB 3.73Å; F675-L680 HydrophobicContact CD1-CD1 3.65Å; F675-L680 HydrophobicContact CD1-CG 4.36Å; F675-L680 HydrophobicContact CD2-CD1 4.49Å; F675-L680 HydrophobicContact CE1-CB 4.43Å; F675-L680 HydrophobicContact CE1-CD1 3.77Å; F675-L680 HydrophobicContact CG-CB 4.31Å; F675-L680 HydrophobicContact CG-CD1 4.04Å; F675-L680 HydrophobicContact CZ-CD1 4.25Å; F675-L680 PolarHBondContact O-N 3.26Å; H678-L680 VanDerWaalsContact C-N 3.32Å; H678-L680 PolarHBondContact O-N 3.23Å; L680-L734 VanDerWaalsContact O-CD1 3.31Å; L680-L734 WeakPolarHBondContact O-CD1 3.23Å; L680-L759 HydrophobicContact CD1-CD2 3.69Å; L680-L766 HydrophobicContact CD1-CD1 4.11Å; L680-L766 HydrophobicContact CD2-CD1 3.93Å; L680-L766 HydrophobicContact CG-CD1 4.28Å | ||
| 681 | L | 82.7 | Confident | 69.6 | Low | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | trans | -132.6 | 145.9 | 176.3 | -69.2 | 177.4 | 0 | 0 | 0 | 109 | I606 F607 L672 F675 I676 G679 E683 L734 I738 | I606-L681 HydrophobicContact CG2-CB 3.63Å; I606-L681 HydrophobicContact CG2-CD1 4.32Å; I606-L681 HydrophobicContact CG2-CG 4.42Å; F607-L681 HydrophobicContact CD1-CD2 4.39Å; F607-L681 HydrophobicContact CE1-CD1 3.95Å; F607-L681 HydrophobicContact CE1-CD2 4.06Å; F607-L681 HydrophobicContact CZ-CD1 4.34Å; L672-L681 HydrophobicContact CD1-CD1 3.64Å; F675-L681 HydrophobicContact CB-CD1 3.88Å; F675-L681 HydrophobicContact CB-CG 4.16Å; I676-L681 HydrophobicContact CG1-CB 4.19Å; I676-L681 HydrophobicContact CG1-CD1 4.22Å; G679-L681 VanDerWaalsContact C-N 3.28Å; L681-E683 HydrophobicContact CD2-CG 3.6Å; L681-L734 HydrophobicContact CD2-CB 4.34Å; L681-L734 HydrophobicContact CD2-CD1 4.3Å; L681-I738 HydrophobicContact CD1-CD1 3.82Å | ||
| 682 | P | 72.3 | Confident | 67.4 | Low | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.052 | 37% | 0.366 | C | S | . | . | S | Bend | cis | -72.3 | 154.2 | 5.3 | 30.3 | -38.1 | 0 | 0 | 0 | 114.9 | I606 G684 Q685 | I606-P682 HydrophobicContact CG2-CB 4.01Å; I606-P682 VanDerWaalsContact O-CA 3.32Å; I606-P682 WeakPolarHBondContact O-CA 3.43Å; I606-P682 WeakPolarHBondContact O-CB 3.02Å; P682-G684 PolarHBondContact O-N 3.25Å; P682-Q685 HydrophobicContact CG-CB 4.43Å; P682-Q685 HydrophobicContact CG-CG 3.86Å |
| 683 | E | 68.6 | Low | 65.1 | Low | 54 Ų | 54 | 67.8 Ų | 67.8 | 25% | 0.252 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 88.6 | -177.3 | -68.5 | -168.7 | -121 | 0 | 0 | 112.4 | L681 S733 L734 H735 | L681-E683 HydrophobicContact CD2-CG 3.6Å; E683-S733 WeakPolarHBondContact OE2-CA 3.22Å; E683-S733 WeakPolarHBondContact OE2-CB 3.19Å; E683-L734 VanDerWaalsContact CD-N 3.33Å; E683-L734 HydrophobicContact CG-CB 4.1Å; E683-L734 HydrophobicContact CG-CD1 4.22Å; E683-L734 HydrophobicContact CG-CG 4.38Å; E683-L734 PolarHBondContact OE1-N 3.05Å; E683-L734 PolarHBondContact OE2-N 3.21Å; E683-H735 WeakPolarHBondContact OE1-CB 3.5Å; E683-H735 PolarHBondContact OE1-N 3.21Å |
| 684 | G | 59.8 | Low | 63.4 | Low | 38 Ų | 38 | 73.5 Ų | 73.5 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 151.2 | -17.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | P682 H686 | P682-G684 PolarHBondContact O-N 3.25Å; G684-H686 VanDerWaalsContact C-N 3.28Å; G684-H686 PolarHBondContact O-N 2.63Å |
| 685 | Q | 55.8 | Low | 62 | Low | 113 Ų | 113 | 77.7 Ų | 77.7 | 53% | 0.528 | 43% | 0.433 | S | S | . | . | trans | -78.4 | 4.6 | -171 | -72.7 | -166.6 | 0.4 | 0 | 0 | 116.1 | G611 P682 M687 | G611-Q685 PolarHBondContact O-NE2 2.91Å; P682-Q685 HydrophobicContact CG-CB 4.43Å; P682-Q685 HydrophobicContact CG-CG 3.86Å; Q685-M687 PolarHBondContact O-N 3.18Å | ||
| 686 | H | 51.8 | Low | 61 | Low | 131 Ų | 131 | 80.3 Ų | 80.3 | 61% | 0.606 | 46% | 0.455 | S | S | * | . | trans | -68.2 | 9.3 | 179.6 | -78.1 | -44.9 | 0 | 0 | 0 | 115.8 | G679 G684 | G679-H686 PolarHBondContact O-CE1 3.07Å; G684-H686 VanDerWaalsContact C-N 3.28Å; G684-H686 PolarHBondContact O-N 2.63Å | ||
| 687 | M | 42.4 | Very low | 60.4 | Low | 94 Ų | 94 | 80.9 Ų | 80.9 | 46% | 0.463 | 46% | 0.457 | S | S | . | . | trans | -128.5 | 42.6 | -163.6 | -72.7 | -67.8 | -175.4 | 0 | 0 | 115.3 | Q685 G693 | Q685-M687 PolarHBondContact O-N 3.18Å; M687-G693 WeakPolarHBondContact CE-O 3.33Å | ||
| 688 | D | 40.7 | Very low | 60 | Low | 156 Ų | 156 | 80.1 Ų | 80.1 | 83% | 0.834 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -98 | -6.6 | 171.3 | -112.8 | -6 | 0 | 0 | 0 | 114.1 | ||
| 689 | N | 37.7 | Very low | 59.7 | Low | 140 Ų | 140 | 84.7 Ų | 84.7 | 75% | 0.749 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -143.2 | 130.7 | 172.7 | -76.2 | -82.4 | 0 | 0 | 0 | 112.1 | ||
| 690 | L | 34.9 | Very low | 60 | Low | 160 Ų | 160 | 83.5 Ų | 83.5 | 84% | 0.838 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 71.7 | 96.6 | 169.5 | -64.5 | 149.4 | 0 | 0 | 0 | 118.2 | ||
| 691 | V | 39.4 | Very low | 60.1 | Low | 114 Ų | 114 | 85.5 Ų | 85.5 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | trans | 72.4 | 133.6 | 157.3 | -170.8 | 0 | 0 | 0 | 0 | 116.1 | G693 | V691-G693 PolarHBondContact O-N 2.97Š| ||
| 692 | P | 44 | Very low | 60.2 | Low | 133 Ų | 133 | 90.5 Ų | 90.5 | 86% | 0.864 | 49% | 0.486 | S | S | * | . | trans | -73.7 | 72.9 | 170.6 | 32.8 | -36.5 | 0 | 0 | 0 | 111.3 | ||||
| 693 | G | 43.3 | Very low | 60.9 | Low | 43 Ų | 43 | 93.5 Ų | 93.5 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -77 | 153.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M687 V691 | M687-G693 WeakPolarHBondContact CE-O 3.33Å; V691-G693 PolarHBondContact O-N 2.97Å |
| 694 | E | 52.7 | Low | 61.9 | Low | 141 Ų | 141 | 90.9 Ų | 90.9 | 66% | 0.659 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -60 | 141 | 169.3 | -68 | 167.5 | 144.3 | 0 | 0 | 110 | A696 R699 | E694-A696 PolarHBondContact O-N 3.35Å; E694-R699 HydrophobicContact CB-CG 3.62Å; E694-R699 WeakPolarHBondContact O-CD 3.32Å |
| 695 | Q | 63.2 | Low | 63.1 | Low | 107 Ų | 107 | 91.9 Ų | 91.9 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 134.4 | 177.5 | -71.2 | 174.2 | -37.4 | 0 | 0 | 110 | F697 V698 R699 | Q695-F697 PolarHBondContact O-N 3.24Å; Q695-V698 HydrophobicContact CB-CG2 4.24Å; Q695-V698 PolarHBondContact O-N 3.12Å; Q695-R699 PolarHBondContact O-N 2.82Å; Q695-R699 VanDerWaalsContact O-N 3.15Å |
| 696 | A | 69.2 | Low | 64.6 | Low | 55 Ų | 55 | 91.2 Ų | 91.2 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -52.3 | -38.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E694 R699 L700 L762 | E694-A696 PolarHBondContact O-N 3.35Å; A696-R699 PolarHBondContact O-N 2.94Å; A696-L700 VanDerWaalsContact O-CG 3.31Å; A696-L700 WeakPolarHBondContact O-CG 3.27Å; A696-L700 PolarHBondContact O-N 2.83Å; A696-L762 HydrophobicContact CB-CD2 4.39Å |
| 697 | F | 75.7 | Confident | 66.2 | Low | 24 Ų | 24 | 86 Ų | 86 | 11% | 0.105 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.2 | -136.5 | -122.2 | 0 | 0 | 0 | 113.2 | Q695 R699 L700 Q701 P730 P731 S733 L734 L758 L762 | Q695-F697 PolarHBondContact O-N 3.24Å; F697-R699 VanDerWaalsContact C-N 3.34Å; F697-R699 PolarHBondContact O-N 2.93Å; F697-L700 PolarHBondContact O-N 2.89Å; F697-Q701 WeakPolarHBondContact O-CG 3.4Å; F697-Q701 PolarHBondContact O-N 2.99Å; F697-P730 HydrophobicContact CE1-CB 4.5Å; F697-P730 HydrophobicContact CE2-CB 4.17Å; F697-P730 HydrophobicContact CZ-CB 4.11Å; F697-P731 WeakPolarHBondContact CE1-O 3.31Å; F697-S733 VanDerWaalsContact CE1-C 3.43Å; F697-L734 HydrophobicContact CD2-CD2 3.98Å; F697-L734 HydrophobicContact CE2-CD2 3.32Å; F697-L734 HydrophobicContact CE2-CG 4.12Å; F697-L734 HydrophobicContact CZ-CD2 3.75Å; F697-L734 HydrophobicContact CZ-CG 4.29Å; F697-L758 HydrophobicContact CE2-CD1 3.8Å; F697-L758 HydrophobicContact CE2-CD2 4.27Å; F697-L762 HydrophobicContact CD2-CD2 4.48Å |
| 698 | V | 77.3 | Confident | 68.3 | Low | 62 Ų | 62 | 84.6 Ų | 84.6 | 38% | 0.376 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.9 | -36.5 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | Q695 Q701 H702 | Q695-V698 HydrophobicContact CB-CG2 4.24Å; Q695-V698 PolarHBondContact O-N 3.12Å; V698-Q701 PolarHBondContact O-N 2.92Å; V698-H702 PolarHBondContact O-N 2.96Å |
| 699 | R | 81 | Confident | 70.4 | Confident | 150 Ų | 150 | 81.5 Ų | 81.5 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 173.6 | -67.5 | -179.9 | 56.9 | -151 | -11 | 111.7 | E694 Q695 A696 F697 H702 E703 | E694-R699 HydrophobicContact CB-CG 3.62Å; E694-R699 WeakPolarHBondContact O-CD 3.32Å; Q695-R699 PolarHBondContact O-N 2.82Å; Q695-R699 VanDerWaalsContact O-N 3.15Å; A696-R699 PolarHBondContact O-N 2.94Å; F697-R699 VanDerWaalsContact C-N 3.34Å; F697-R699 PolarHBondContact O-N 2.93Å; R699-H702 PolarHBondContact O-N 2.75Å; R699-E703 PolarHBondContact O-N 2.7Å |
| 700 | L | 84.4 | Confident | 72.5 | Confident | 15 Ų | 15 | 80.4 Ų | 80.4 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 175.7 | -68.2 | 164.9 | 0 | 0 | 0 | 111.6 | A696 F697 H702 E703 Y704 P730 D761 L762 | A696-L700 VanDerWaalsContact O-CG 3.31Å; A696-L700 WeakPolarHBondContact O-CG 3.27Å; A696-L700 PolarHBondContact O-N 2.83Å; F697-L700 PolarHBondContact O-N 2.89Å; L700-H702 VanDerWaalsContact C-N 3.32Å; L700-H702 PolarHBondContact O-N 3.29Å; L700-E703 PolarHBondContact O-N 3.4Å; L700-Y704 HydrophobicContact CD2-CE2 4.26Å; L700-Y704 WeakPolarHBondContact O-CB 3.39Å; L700-Y704 WeakPolarHBondContact O-CD2 3.34Å; L700-Y704 PolarHBondContact O-N 3.31Å; L700-P730 HydrophobicContact CB-CG 3.79Å; L700-D761 HydrophobicContact CD1-CB 3.86Å; L700-D761 HydrophobicContact CD2-CB 3.81Å; L700-D761 HydrophobicContact CG-CB 4.5Å; L700-L762 HydrophobicContact CD1-CD2 4.01Å |
| 701 | Q | 84.4 | Confident | 74.6 | Confident | 53 Ų | 53 | 75.7 Ų | 75.7 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -55 | -47.2 | 171.6 | -73.7 | 173.4 | -9.5 | 0 | 0 | 111.5 | F697 V698 S705 P730 P731 | F697-Q701 WeakPolarHBondContact O-CG 3.4Å; F697-Q701 PolarHBondContact O-N 2.99Å; V698-Q701 PolarHBondContact O-N 2.92Å; Q701-S705 VanDerWaalsContact O-CB 3.27Å; Q701-S705 WeakPolarHBondContact O-CB 3.42Å; Q701-S705 PolarHBondContact O-N 3.13Å; Q701-S705 PolarHBondContact O-OG 3.29Å; Q701-P730 HydrophobicContact CG-CG 3.88Å; Q701-P731 PolarHBondContact NE2-O 2.92Å |
| 702 | H | 84.8 | Confident | 76.3 | Confident | 110 Ų | 110 | 74 Ų | 74 | 51% | 0.509 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -53.4 | 177.2 | -163.8 | -81.1 | 0 | 0 | 0 | 111.3 | V698 R699 L700 Y704 S705 E706 | V698-H702 PolarHBondContact O-N 2.96Å; R699-H702 PolarHBondContact O-N 2.75Å; L700-H702 VanDerWaalsContact C-N 3.32Å; L700-H702 PolarHBondContact O-N 3.29Å; H702-Y704 PolarHBondContact O-N 3.07Å; H702-S705 WeakPolarHBondContact O-CA 3.42Å; H702-S705 WeakPolarHBondContact O-CB 3.25Å; H702-S705 PolarHBondContact O-N 3.38Å; H702-S705 PolarHBondContact O-OG 2.81Å; H702-E706 IonicContact CE1-OE1 2.79Å; H702-E706 PolarHBondContact CE1-OE1 3.39Å; H702-E706 IonicContact CE1-OE2 2.65Å; H702-E706 PolarHBondContact CE1-OE2 3.2Å; H702-E706 VanDerWaalsContact ND1-CD 3.3Å; H702-E706 IonicContact ND1-OE1 2.73Å; H702-E706 IonicContact ND1-OE2 3.23Å; H702-E706 PolarHBondContact ND1-OE2 3.02Å; H702-E706 PolarHBondContact O-N 3.15Å |
| 703 | E | 87.2 | Confident | 78.1 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 33% | 0.327 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | -177.1 | -171.4 | -176.5 | 152.4 | 0 | 0 | 112.4 | R699 L700 S705 E706 K707 H792 | R699-E703 PolarHBondContact O-N 2.7Å; L700-E703 PolarHBondContact O-N 3.4Å; E703-S705 VanDerWaalsContact C-N 3.31Å; E703-S705 PolarHBondContact O-N 3.46Å; E703-E706 PolarHBondContact O-N 3.16Å; E703-K707 HydrophobicContact CG-CD 4.38Å; E703-K707 WeakPolarHBondContact O-CG 3.35Å; E703-K707 PolarHBondContact O-N 3.49Å; E703-K707 WeakPolarHBondContact OE1-CE 3.25Å; E703-K707 IonicContact OE1-NZ 3.35Å; E703-K707 PolarHBondContact OE1-NZ 3.04Å; E703-H792 IonicContact OE1-CD2 3.02Å; E703-H792 PolarHBondContact OE1-CD2 3.46Å; E703-H792 IonicContact OE1-NE2 3.99Å |
| 704 | Y | 89.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.7 | -25.3 | 176.5 | -79.9 | -92.7 | 0 | 0 | 0 | 112.4 | L700 H702 K707 R708 L714 I716 Y729 Y757 D761 H792 | L700-Y704 HydrophobicContact CD2-CE2 4.26Å; L700-Y704 WeakPolarHBondContact O-CB 3.39Å; L700-Y704 WeakPolarHBondContact O-CD2 3.34Å; L700-Y704 PolarHBondContact O-N 3.31Å; H702-Y704 PolarHBondContact O-N 3.07Å; Y704-K707 HydrophobicContact CD1-CD 4.49Å; Y704-R708 VanDerWaalsContact O-CG 3.29Å; Y704-R708 WeakPolarHBondContact O-CG 3.2Å; Y704-R708 PolarHBondContact O-N 3.2Å; Y704-R708 PolarHBondContact O-NH1 3.15Å; Y704-L714 HydrophobicContact CD1-CD1 3.8Å; Y704-L714 HydrophobicContact CE1-CD1 4.35Å; Y704-I716 HydrophobicContact CD1-CG2 3.99Å; Y704-I716 HydrophobicContact CE1-CG2 3.67Å; Y704-Y729 WeakPolarHBondContact CB-O 3.22Å; Y704-Y729 AromaticContact CD1-CD1 3.92Å; Y704-Y729 HydrophobicContact CD1-CD1 3.92Å; Y704-Y729 HydrophobicContact CD1-CE1 4.27Å; Y704-Y729 HydrophobicContact CD2-CD1 4.4Å; Y704-Y729 HydrophobicContact CD2-CE1 4.2Å; Y704-Y729 AromaticContact CE1-CD1 3.99Å; Y704-Y729 HydrophobicContact CE1-CD1 3.99Å; Y704-Y729 AromaticContact CE1-CE1 3.99Å; Y704-Y729 HydrophobicContact CE1-CE1 3.99Å; Y704-Y729 HydrophobicContact CE2-CD1 4.43Å; Y704-Y729 AromaticContact CE2-CE1 3.88Å; Y704-Y729 HydrophobicContact CE2-CE1 3.88Å; Y704-Y729 HydrophobicContact CG-CD1 4.14Å; Y704-Y729 HydrophobicContact CG-CE1 4.38Å; Y704-Y729 AromaticContact CZ-CE1 3.76Å; Y704-Y757 HydrophobicContact CE1-CE1 4.48Å; Y704-Y757 VanDerWaalsContact OH-CE1 3.29Å; Y704-Y757 WeakPolarHBondContact OH-CE1 3.32Å; Y704-Y757 PolarHBondContact OH-OH 2.69Å; Y704-D761 WeakPolarHBondContact CE2-OD2 3.5Å; Y704-D761 PolarHBondContact OH-OD1 2.59Å; Y704-D761 VanDerWaalsContact OH-OD1 3.06Å; Y704-D761 PolarHBondContact OH-OD2 3.01Å; Y704-D761 VanDerWaalsContact OH-OD2 3.08Å; Y704-H792 PolarHBondContact OH-CE1 3.43Å; Y704-H792 VanDerWaalsContact OH-CE1 3.29Å |
| 705 | S | 86.5 | Confident | 82 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 170.4 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | Q701 H702 E703 R708 A709 | Q701-S705 VanDerWaalsContact O-CB 3.27Å; Q701-S705 WeakPolarHBondContact O-CB 3.42Å; Q701-S705 PolarHBondContact O-N 3.13Å; Q701-S705 PolarHBondContact O-OG 3.29Å; H702-S705 WeakPolarHBondContact O-CA 3.42Å; H702-S705 WeakPolarHBondContact O-CB 3.25Å; H702-S705 PolarHBondContact O-N 3.38Å; H702-S705 PolarHBondContact O-OG 2.81Å; E703-S705 VanDerWaalsContact C-N 3.31Å; E703-S705 PolarHBondContact O-N 3.46Å; S705-R708 PolarHBondContact O-N 3.36Å; S705-A709 PolarHBondContact O-N 3.35Å |
| 706 | E | 86.2 | Confident | 83.2 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 177 | -71.4 | -176 | 117.4 | 0 | 0 | 112 | H702 E703 R708 A709 Q710 | H702-E706 IonicContact CE1-OE1 2.79Å; H702-E706 PolarHBondContact CE1-OE1 3.39Å; H702-E706 IonicContact CE1-OE2 2.65Å; H702-E706 PolarHBondContact CE1-OE2 3.2Å; H702-E706 VanDerWaalsContact ND1-CD 3.3Å; H702-E706 IonicContact ND1-OE1 2.73Å; H702-E706 IonicContact ND1-OE2 3.23Å; H702-E706 PolarHBondContact ND1-OE2 3.02Å; H702-E706 PolarHBondContact O-N 3.15Å; E703-E706 PolarHBondContact O-N 3.16Å; E706-R708 VanDerWaalsContact C-N 3.27Å; E706-R708 PolarHBondContact O-N 3.19Å; E706-A709 PolarHBondContact O-N 3.4Å; E706-A709 VanDerWaalsContact O-N 3.11Å; E706-Q710 WeakPolarHBondContact O-CG 3.27Å; E706-Q710 PolarHBondContact O-N 3.2Å |
| 707 | K | 85.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56 | -40.7 | 172.5 | -73.5 | 171.5 | -178.5 | 173.1 | 0 | 111.7 | E703 Y704 Q710 K712 L714 D791 H792 | E703-K707 HydrophobicContact CG-CD 4.38Å; E703-K707 WeakPolarHBondContact O-CG 3.35Å; E703-K707 PolarHBondContact O-N 3.49Å; E703-K707 WeakPolarHBondContact OE1-CE 3.25Å; E703-K707 IonicContact OE1-NZ 3.35Å; E703-K707 PolarHBondContact OE1-NZ 3.04Å; Y704-K707 HydrophobicContact CD1-CD 4.49Å; K707-Q710 PolarHBondContact O-N 3.12Å; K707-K712 PolarHBondContact O-N 3.39Å; K707-L714 HydrophobicContact CB-CD1 4Å; K707-L714 HydrophobicContact CB-CD2 4.25Å; K707-L714 HydrophobicContact CD-CD2 4.47Å; K707-D791 WeakPolarHBondContact CD-O 3.23Å; K707-D791 WeakPolarHBondContact CE-O 3.21Å; K707-D791 PolarHBondContact NZ-O 2.89Å; K707-H792 PolarHBondContact NZ-CD2 2.97Å; K707-H792 PolarHBondContact NZ-NE2 3.11Å; K707-H792 VanDerWaalsContact NZ-NE2 3.15Å |
| 708 | R | 86.6 | Confident | 84.6 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 25% | 0.249 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 173.8 | -70.6 | 174.1 | -169.2 | 112.7 | 2.6 | 112.9 | Y704 S705 E706 Q710 G711 L714 D717 Y729 | Y704-R708 VanDerWaalsContact O-CG 3.29Å; Y704-R708 WeakPolarHBondContact O-CG 3.2Å; Y704-R708 PolarHBondContact O-N 3.2Å; Y704-R708 PolarHBondContact O-NH1 3.15Å; S705-R708 PolarHBondContact O-N 3.36Å; E706-R708 VanDerWaalsContact C-N 3.27Å; E706-R708 PolarHBondContact O-N 3.19Å; R708-Q710 PolarHBondContact O-N 3.08Å; R708-G711 PolarHBondContact O-N 3.14Å; R708-L714 HydrophobicContact CG-CD1 4.13Å; R708-D717 IonicContact CZ-OD1 3.88Å; R708-D717 IonicContact CZ-OD2 2.7Å; R708-D717 IonicContact NE-OD1 3.99Å; R708-D717 PolarHBondContact NE-OD1 2.97Å; R708-D717 IonicContact NE-OD2 2.75Å; R708-D717 PolarHBondContact NE-OD2 3.44Å; R708-D717 IonicContact NH2-OD1 3.78Å; R708-D717 PolarHBondContact NH2-OD1 2.93Å; R708-D717 IonicContact NH2-OD2 2.7Å; R708-Y729 VanDerWaalsContact CZ-O 3.27Å; R708-Y729 PolarHBondContact NH1-O 3.31Å; R708-Y729 VanDerWaalsContact NH2-N 3.1Å; R708-Y729 PolarHBondContact NH2-O 2.93Å |
| 709 | A | 85 | Confident | 85.1 | Confident | 90 Ų | 90 | 55.7 Ų | 55.7 | 74% | 0.744 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.8 | -27.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S705 E706 G711 | S705-A709 PolarHBondContact O-N 3.35Å; E706-A709 PolarHBondContact O-N 3.4Å; E706-A709 VanDerWaalsContact O-N 3.11Å; A709-G711 PolarHBondContact O-N 3.4Å |
| 710 | Q | 82.5 | Confident | 85.2 | Confident | 118 Ų | 118 | 48.9 Ų | 48.9 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -2.5 | 170.3 | -67 | 170.6 | 22.6 | 0 | 0 | 113.7 | E706 K707 R708 K712 | E706-Q710 WeakPolarHBondContact O-CG 3.27Å; E706-Q710 PolarHBondContact O-N 3.2Å; K707-Q710 PolarHBondContact O-N 3.12Å; R708-Q710 PolarHBondContact O-N 3.08Å; Q710-K712 VanDerWaalsContact C-N 3.26Å; Q710-K712 HydrophobicContact CB-CD 4.36Å; Q710-K712 HydrophobicContact CB-CG 4.27Å; Q710-K712 PolarHBondContact O-N 3.34Å |
| 711 | G | 78.1 | Confident | 85.2 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 63% | 0.629 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 9.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R708 A709 | R708-G711 PolarHBondContact O-N 3.14Å; A709-G711 PolarHBondContact O-N 3.4Å |
| 712 | K | 76.3 | Confident | 85 | Confident | 77 Ų | 77 | 60 Ų | 60 | 34% | 0.335 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 135.6 | -177.7 | -71.3 | 175.5 | 170.9 | 164.9 | 0 | 111.2 | K707 Q710 L714 E827 | K707-K712 PolarHBondContact O-N 3.39Å; Q710-K712 VanDerWaalsContact C-N 3.26Å; Q710-K712 HydrophobicContact CB-CD 4.36Å; Q710-K712 HydrophobicContact CB-CG 4.27Å; Q710-K712 PolarHBondContact O-N 3.34Å; K712-L714 HydrophobicContact CB-CD2 4.43Å; K712-L714 PolarHBondContact O-N 3.44Å; K712-E827 VanDerWaalsContact CE-OE1 3.23Å; K712-E827 WeakPolarHBondContact CE-OE1 3.44Å |
| 713 | I | 81.6 | Confident | 84.5 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 59% | 0.59 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -80 | 120.7 | 174 | -50.3 | 179.1 | 0 | 0 | 0 | 108.2 | L819 K823 | I713-L819 HydrophobicContact CB-CD1 4.41Å; I713-L819 HydrophobicContact CG2-CD1 3.61Å; I713-K823 PolarHBondContact O-NZ 3.31Å |
| 714 | L | 86.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 138 | -178.6 | -57.9 | -177.5 | 0 | 0 | 0 | 110.9 | Y704 K707 R708 K712 I716 D717 S718 D791 | Y704-L714 HydrophobicContact CD1-CD1 3.8Å; Y704-L714 HydrophobicContact CE1-CD1 4.35Å; K707-L714 HydrophobicContact CB-CD1 4Å; K707-L714 HydrophobicContact CB-CD2 4.25Å; K707-L714 HydrophobicContact CD-CD2 4.47Å; R708-L714 HydrophobicContact CG-CD1 4.13Å; K712-L714 HydrophobicContact CB-CD2 4.43Å; K712-L714 PolarHBondContact O-N 3.44Å; L714-I716 VanDerWaalsContact C-N 3.32Å; L714-I716 HydrophobicContact CB-CG2 4.29Å; L714-D717 HydrophobicContact CB-CB 4.3Å; L714-D717 PolarHBondContact O-N 3.06Å; L714-S718 PolarHBondContact O-N 3.19Å; L714-D791 WeakPolarHBondContact CA-OD1 3.45Å; L714-D791 WeakPolarHBondContact CB-OD2 3.1Å; L714-D791 HydrophobicContact CD2-CB 4.33Å |
| 715 | Y | 90.1 | Very high | 83.2 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 171.7 | 172.3 | -95.3 | 0 | 0 | 0 | 110.8 | D717 S718 L719 Y757 L784 F787 D791 W815 Q816 L819 | Y715-D717 VanDerWaalsContact C-N 3.27Å; Y715-D717 PolarHBondContact O-N 2.97Å; Y715-S718 CarbonylContact O-C 3.29Å; Y715-S718 WeakPolarHBondContact O-CA 3.49Å; Y715-S718 PolarHBondContact O-N 2.95Å; Y715-S718 PolarHBondContact O-OG 3.32Å; Y715-L719 HydrophobicContact CE1-CB 4.14Å; Y715-L719 HydrophobicContact CE1-CD2 3.72Å; Y715-L719 PolarHBondContact O-N 3.38Å; Y715-Y757 HydrophobicContact CD1-CD2 4.15Å; Y715-Y757 HydrophobicContact CD1-CE2 4Å; Y715-Y757 HydrophobicContact CE1-CD2 4.31Å; Y715-L784 HydrophobicContact CE1-CD2 3.57Å; Y715-L784 WeakPolarHBondContact OH-CD2 3.46Å; Y715-F787 HydrophobicContact CD1-CB 3.74Å; Y715-F787 HydrophobicContact CD1-CG 4.29Å; Y715-F787 HydrophobicContact CD2-CB 3.61Å; Y715-F787 AromaticContact CD2-CD1 3.42Å; Y715-F787 HydrophobicContact CD2-CD1 3.42Å; Y715-F787 VanDerWaalsContact CD2-CD1 3.42Å; Y715-F787 AromaticContact CD2-CD2 3.61Å; Y715-F787 HydrophobicContact CD2-CD2 3.61Å; Y715-F787 AromaticContact CD2-CE1 4Å; Y715-F787 HydrophobicContact CD2-CE1 4Å; Y715-F787 HydrophobicContact CD2-CE2 4.17Å; Y715-F787 AromaticContact CD2-CG 3.23Å; Y715-F787 HydrophobicContact CD2-CG 3.23Å; Y715-F787 HydrophobicContact CD2-CZ 4.36Å; Y715-F787 HydrophobicContact CE1-CB 4.19Å; Y715-F787 HydrophobicContact CE2-CB 4.04Å; Y715-F787 HydrophobicContact CE2-CD1 4.09Å; Y715-F787 AromaticContact CE2-CD2 3.39Å; Y715-F787 HydrophobicContact CE2-CD2 3.39Å; Y715-F787 HydrophobicContact CE2-CE1 4.48Å; Y715-F787 AromaticContact CE2-CE2 3.86Å; Y715-F787 HydrophobicContact CE2-CE2 3.86Å; Y715-F787 AromaticContact CE2-CG 3.55Å; Y715-F787 HydrophobicContact CE2-CG 3.55Å; Y715-F787 HydrophobicContact CE2-CZ 4.4Å; Y715-F787 HydrophobicContact CG-CB 3.42Å; Y715-F787 VanDerWaalsContact CG-CB 3.42Å; Y715-F787 AromaticContact CG-CD1 3.92Å; Y715-F787 HydrophobicContact CG-CD1 3.92Å; Y715-F787 HydrophobicContact CG-CD2 4.32Å; Y715-F787 AromaticContact CG-CG 3.63Å; Y715-F787 HydrophobicContact CG-CG 3.63Å; Y715-F787 AromaticContact CZ-CD2 3.98Å; Y715-D791 VanDerWaalsContact N-CG 3.27Å; Y715-D791 PolarHBondContact N-OD1 2.91Å; Y715-D791 PolarHBondContact N-OD2 3.44Å; Y715-W815 HydrophobicContact CD2-CH2 4.44Å; Y715-W815 HydrophobicContact CD2-CZ3 4.31Å; Y715-W815 AromaticContact CE2-CH2 3.82Å; Y715-W815 HydrophobicContact CE2-CH2 3.82Å; Y715-W815 HydrophobicContact CE2-CZ3 4.07Å; Y715-Q816 HydrophobicContact CE2-CG 4.34Å; Y715-Q816 PolarHBondContact OH-NE2 3.28Å; Y715-L819 HydrophobicContact CD2-CD2 4.05Å |
| 716 | I | 89 | Confident | 82.3 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.5 | -34.7 | -174.4 | -165.6 | 54.8 | 0 | 0 | 0 | 112.5 | Y704 L714 L719 G720 Y729 L754 Y757 D791 | Y704-I716 HydrophobicContact CD1-CG2 3.99Å; Y704-I716 HydrophobicContact CE1-CG2 3.67Å; L714-I716 VanDerWaalsContact C-N 3.32Å; L714-I716 HydrophobicContact CB-CG2 4.29Å; I716-L719 HydrophobicContact CD1-CD2 4.34Å; I716-L719 PolarHBondContact O-N 3.29Å; I716-G720 PolarHBondContact O-N 2.72Å; I716-Y729 HydrophobicContact CB-CD1 4.2Å; I716-Y729 HydrophobicContact CB-CG 4.37Å; I716-Y729 HydrophobicContact CD1-CD2 4.18Å; I716-Y729 HydrophobicContact CD1-CE2 4.34Å; I716-Y729 HydrophobicContact CD1-CG 4.39Å; I716-Y729 HydrophobicContact CG1-CD1 3.53Å; I716-Y729 HydrophobicContact CG1-CD2 3.61Å; I716-Y729 HydrophobicContact CG1-CE1 3.94Å; I716-Y729 HydrophobicContact CG1-CE2 4.01Å; I716-Y729 HydrophobicContact CG1-CG 3.36Å; I716-Y729 HydrophobicContact CG2-CD1 3.64Å; I716-Y729 HydrophobicContact CG2-CE1 4.31Å; I716-Y729 HydrophobicContact CG2-CG 4.08Å; I716-L754 HydrophobicContact CD1-CD2 3.54Å; I716-Y757 HydrophobicContact CB-CD1 4.2Å; I716-Y757 HydrophobicContact CB-CE1 3.82Å; I716-Y757 HydrophobicContact CD1-CD1 3.59Å; I716-Y757 HydrophobicContact CD1-CD2 4.37Å; I716-Y757 HydrophobicContact CD1-CE1 4.13Å; I716-Y757 HydrophobicContact CD1-CG 3.75Å; I716-Y757 HydrophobicContact CG1-CD1 3.8Å; I716-Y757 HydrophobicContact CG1-CE1 3.87Å; I716-Y757 HydrophobicContact CG1-CG 4.4Å; I716-Y757 HydrophobicContact CG2-CE1 4.34Å; I716-D791 PolarHBondContact N-OD2 3.31Å |
| 717 | D | 87.3 | Confident | 81.5 | Confident | 34 Ų | 34 | 59.4 Ų | 59.4 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70 | -35 | 173.8 | -74.5 | -2.2 | 0 | 0 | 0 | 112.5 | R708 L714 Y715 K721 | R708-D717 IonicContact CZ-OD1 3.88Å; R708-D717 IonicContact CZ-OD2 2.7Å; R708-D717 IonicContact NE-OD1 3.99Å; R708-D717 PolarHBondContact NE-OD1 2.97Å; R708-D717 IonicContact NE-OD2 2.75Å; R708-D717 PolarHBondContact NE-OD2 3.44Å; R708-D717 IonicContact NH2-OD1 3.78Å; R708-D717 PolarHBondContact NH2-OD1 2.93Å; R708-D717 IonicContact NH2-OD2 2.7Å; L714-D717 HydrophobicContact CB-CB 4.3Å; L714-D717 PolarHBondContact O-N 3.06Å; Y715-D717 VanDerWaalsContact C-N 3.27Å; Y715-D717 PolarHBondContact O-N 2.97Å; D717-K721 WeakPolarHBondContact O-CB 3.47Å; D717-K721 WeakPolarHBondContact O-CD 3.49Å; D717-K721 VanDerWaalsContact O-CG 3.25Å; D717-K721 WeakPolarHBondContact O-CG 3.29Å; D717-K721 PolarHBondContact O-N 3.41Å; D717-K721 VanDerWaalsContact O-N 3.08Å |
| 718 | S | 86.7 | Confident | 81.1 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.4 | -32.5 | 176.1 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | L714 Y715 R722 W815 L819 | L714-S718 PolarHBondContact O-N 3.19Å; Y715-S718 CarbonylContact O-C 3.29Å; Y715-S718 WeakPolarHBondContact O-CA 3.49Å; Y715-S718 PolarHBondContact O-N 2.95Å; Y715-S718 PolarHBondContact O-OG 3.32Å; S718-R722 VanDerWaalsContact O-CG 3.3Å; S718-R722 WeakPolarHBondContact O-CG 3.29Å; S718-R722 PolarHBondContact O-N 2.93Å; S718-W815 WeakPolarHBondContact OG-CZ3 3.46Å; S718-L819 WeakPolarHBondContact OG-CD2 3.49Å |
| 719 | L | 86.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.4 | -46.2 | 172.2 | 179.3 | 60.4 | 0 | 0 | 0 | 110.6 | Y715 I716 K721 R722 A723 H750 A753 L754 | Y715-L719 HydrophobicContact CE1-CB 4.14Å; Y715-L719 HydrophobicContact CE1-CD2 3.72Å; Y715-L719 PolarHBondContact O-N 3.38Å; I716-L719 HydrophobicContact CD1-CD2 4.34Å; I716-L719 PolarHBondContact O-N 3.29Å; L719-K721 PolarHBondContact O-N 2.55Å; L719-R722 CarbonylContact O-C 3.53Å; L719-R722 WeakPolarHBondContact O-CA 3.43Å; L719-R722 PolarHBondContact O-N 3.08Å; L719-A723 WeakPolarHBondContact O-CB 3.34Å; L719-A723 PolarHBondContact O-N 3.23Å; L719-H750 HydrophobicContact CD1-CB 4.35Å; L719-A753 HydrophobicContact CD2-CB 4.03Å; L719-L754 HydrophobicContact CD2-CD2 3.75Å; L719-L754 HydrophobicContact CD2-CG 4.01Å; L719-L754 HydrophobicContact CG-CD2 3.9Å; L719-L754 HydrophobicContact CG-CG 4.21Å |
| 720 | G | 84 | Confident | 80.5 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 7% | 0.072 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I716 R722 A723 S724 F725 | I716-G720 PolarHBondContact O-N 2.72Å; G720-R722 VanDerWaalsContact C-N 3.25Å; G720-R722 PolarHBondContact O-N 3.22Å; G720-A723 CarbonylContact O-C 3.55Å; G720-A723 WeakPolarHBondContact O-CA 3.23Å; G720-A723 PolarHBondContact O-N 2.88Å; G720-S724 PolarHBondContact O-N 2.77Å; G720-S724 VanDerWaalsContact O-N 3.08Å; G720-F725 PolarHBondContact O-N 3.24Å |
| 721 | K | 83.7 | Confident | 80.1 | Confident | 167 Ų | 167 | 50.2 Ų | 50.2 | 73% | 0.726 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59 | -32 | 174.5 | -73.9 | 167.4 | -175.6 | 170.5 | 0 | 113.7 | D717 L719 | D717-K721 WeakPolarHBondContact O-CB 3.47Å; D717-K721 WeakPolarHBondContact O-CD 3.49Å; D717-K721 VanDerWaalsContact O-CG 3.25Å; D717-K721 WeakPolarHBondContact O-CG 3.29Å; D717-K721 PolarHBondContact O-N 3.41Å; D717-K721 VanDerWaalsContact O-N 3.08Å; L719-K721 PolarHBondContact O-N 2.55Å |
| 722 | R | 80.3 | Confident | 79.9 | Confident | 133 Ų | 133 | 53.9 Ų | 53.9 | 50% | 0.502 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -82.1 | -22.4 | 176.5 | -74.9 | 175.6 | 168.6 | -76.8 | -5.2 | 113.5 | S718 L719 G720 S724 W815 | S718-R722 VanDerWaalsContact O-CG 3.3Å; S718-R722 WeakPolarHBondContact O-CG 3.29Å; S718-R722 PolarHBondContact O-N 2.93Å; L719-R722 CarbonylContact O-C 3.53Å; L719-R722 WeakPolarHBondContact O-CA 3.43Å; L719-R722 PolarHBondContact O-N 3.08Å; G720-R722 VanDerWaalsContact C-N 3.25Å; G720-R722 PolarHBondContact O-N 3.22Å; R722-S724 VanDerWaalsContact C-N 3.33Å; R722-W815 VanDerWaalsContact CZ-CD1 3.44Å; R722-W815 VanDerWaalsContact NH2-CB 3.31Å |
| 723 | A | 75.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 11.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L719 G720 F725 I746 H750 L754 | L719-A723 WeakPolarHBondContact O-CB 3.34Å; L719-A723 PolarHBondContact O-N 3.23Å; G720-A723 CarbonylContact O-C 3.55Å; G720-A723 WeakPolarHBondContact O-CA 3.23Å; G720-A723 PolarHBondContact O-N 2.88Å; A723-F725 PolarHBondContact O-N 3.08Å; A723-I746 HydrophobicContact CB-CD1 4.44Å; A723-I746 HydrophobicContact CB-CG2 3.88Å; A723-I746 WeakPolarHBondContact O-CD1 3.35Å; A723-I746 VanDerWaalsContact O-CG1 3.27Å; A723-I746 WeakPolarHBondContact O-CG1 3.35Å; A723-H750 HydrophobicContact CB-CB 4.28Å; A723-L754 HydrophobicContact CB-CD1 3.94Å |
| 724 | S | 75.4 | Confident | 79.9 | Confident | 101 Ų | 101 | 46.6 Ų | 46.6 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 26.9 | -175.7 | -57 | 0 | 0 | 0 | 0 | 114.3 | G720 R722 P726 | G720-S724 PolarHBondContact O-N 2.77Å; G720-S724 VanDerWaalsContact O-N 3.08Å; R722-S724 VanDerWaalsContact C-N 3.33Å; S724-P726 WeakPolarHBondContact O-CD 3.3Å |
| 725 | F | 73.5 | Confident | 79.4 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 11% | 0.114 | 26% | 0.259 | C | S | . | . | trans | -72.3 | 121.4 | -179.3 | -168.9 | -115.6 | 0 | 0 | 0 | 109.6 | G720 A723 E727 P731 Y737 L740 | G720-F725 PolarHBondContact O-N 3.24Å; A723-F725 PolarHBondContact O-N 3.08Å; F725-E727 WeakPolarHBondContact CD1-O 3.44Å; F725-E727 HydrophobicContact CE1-CB 3.74Å; F725-E727 VanDerWaalsContact CE1-O 3.23Å; F725-E727 WeakPolarHBondContact CE1-O 3.42Å; F725-E727 HydrophobicContact CZ-CB 3.91Å; F725-P731 HydrophobicContact CE1-CG 4.1Å; F725-P731 HydrophobicContact CZ-CB 4.3Å; F725-P731 HydrophobicContact CZ-CG 3.75Å; F725-Y737 HydrophobicContact CZ-CD2 4.33Å; F725-L740 HydrophobicContact CD2-CD1 3.63Å; F725-L740 HydrophobicContact CD2-CD2 3.54Å; F725-L740 HydrophobicContact CD2-CG 4.14Å; F725-L740 HydrophobicContact CE2-CD1 4.16Å; F725-L740 HydrophobicContact CE2-CD2 3.99Å; F725-L740 HydrophobicContact CE2-CG 4.48Å; F725-L740 HydrophobicContact CG-CD2 4.28Å | ||
| 726 | P | 67.5 | Low | 78.7 | Confident | 115 Ų | 115 | 49.2 Ų | 49.2 | 75% | 0.747 | 27% | 0.268 | S | S | * | . | trans | -84.6 | -22.1 | -168.6 | 32.6 | -35.9 | 0 | 0 | 0 | 113.9 | S724 | S724-P726 WeakPolarHBondContact O-CD 3.3Š| ||
| 727 | E | 70.2 | Confident | 78.3 | Confident | 82 Ų | 82 | 49.3 Ų | 49.3 | 38% | 0.383 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -94.1 | 151.1 | -178.1 | -72.7 | 173.1 | -164.5 | 0 | 0 | 111.4 | F725 | F725-E727 WeakPolarHBondContact CD1-O 3.44Å; F725-E727 HydrophobicContact CE1-CB 3.74Å; F725-E727 VanDerWaalsContact CE1-O 3.23Å; F725-E727 WeakPolarHBondContact CE1-O 3.42Å; F725-E727 HydrophobicContact CZ-CB 3.91Å |
| 728 | P | 76.9 | Confident | 78.2 | Confident | 88 Ų | 88 | 47.7 Ų | 47.7 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 152.6 | 168.7 | 30.5 | -34.8 | 0 | 0 | 0 | 110.5 | P730 | P728-P730 CarbonylContact O-C 3.28Å; P728-P730 VanDerWaalsContact O-O 3.13Å |
| 729 | Y | 82.7 | Confident | 77.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -90.4 | 145.4 | 177.7 | 176.4 | -88.1 | 0 | 0 | 0 | 112.9 | Y704 R708 I716 Y737 Y757 L758 D761 | Y704-Y729 WeakPolarHBondContact CB-O 3.22Å; Y704-Y729 AromaticContact CD1-CD1 3.92Å; Y704-Y729 HydrophobicContact CD1-CD1 3.92Å; Y704-Y729 HydrophobicContact CD1-CE1 4.27Å; Y704-Y729 HydrophobicContact CD2-CD1 4.4Å; Y704-Y729 HydrophobicContact CD2-CE1 4.2Å; Y704-Y729 AromaticContact CE1-CD1 3.99Å; Y704-Y729 HydrophobicContact CE1-CD1 3.99Å; Y704-Y729 AromaticContact CE1-CE1 3.99Å; Y704-Y729 HydrophobicContact CE1-CE1 3.99Å; Y704-Y729 HydrophobicContact CE2-CD1 4.43Å; Y704-Y729 AromaticContact CE2-CE1 3.88Å; Y704-Y729 HydrophobicContact CE2-CE1 3.88Å; Y704-Y729 HydrophobicContact CG-CD1 4.14Å; Y704-Y729 HydrophobicContact CG-CE1 4.38Å; Y704-Y729 AromaticContact CZ-CE1 3.76Å; R708-Y729 VanDerWaalsContact CZ-O 3.27Å; R708-Y729 PolarHBondContact NH1-O 3.31Å; R708-Y729 VanDerWaalsContact NH2-N 3.1Å; R708-Y729 PolarHBondContact NH2-O 2.93Å; I716-Y729 HydrophobicContact CB-CD1 4.2Å; I716-Y729 HydrophobicContact CB-CG 4.37Å; I716-Y729 HydrophobicContact CD1-CD2 4.18Å; I716-Y729 HydrophobicContact CD1-CE2 4.34Å; I716-Y729 HydrophobicContact CD1-CG 4.39Å; I716-Y729 HydrophobicContact CG1-CD1 3.53Å; I716-Y729 HydrophobicContact CG1-CD2 3.61Å; I716-Y729 HydrophobicContact CG1-CE1 3.94Å; I716-Y729 HydrophobicContact CG1-CE2 4.01Å; I716-Y729 HydrophobicContact CG1-CG 3.36Å; I716-Y729 HydrophobicContact CG2-CD1 3.64Å; I716-Y729 HydrophobicContact CG2-CE1 4.31Å; I716-Y729 HydrophobicContact CG2-CG 4.08Å; Y729-Y737 HydrophobicContact CD2-CE2 4.13Å; Y729-Y737 HydrophobicContact CE2-CE2 4.24Å; Y729-Y737 AromaticContact CE2-CZ 3.95Å; Y729-Y737 WeakPolarHBondContact CE2-OH 3.34Å; Y729-Y757 HydrophobicContact CE1-CD1 4.18Å; Y729-Y757 AromaticContact CE1-CE1 3.97Å; Y729-Y757 HydrophobicContact CE1-CE1 3.97Å; Y729-Y757 HydrophobicContact CE2-CD1 4.48Å; Y729-Y757 AromaticContact CZ-CD1 3.87Å; Y729-L758 HydrophobicContact CE2-CB 4.41Å; Y729-L758 WeakPolarHBondContact OH-CA 3.46Å; Y729-D761 WeakPolarHBondContact CE1-OD2 3.39Å; Y729-D761 VanDerWaalsContact CZ-OD2 3.28Å; Y729-D761 PolarHBondContact OH-OD2 2.9Å |
| 730 | P | 76.3 | Confident | 77.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | S | Bend | cis | -68.3 | 159.3 | -19.6 | 31.6 | -37 | 0 | 0 | 0 | 111.3 | F697 L700 Q701 P728 | F697-P730 HydrophobicContact CE1-CB 4.5Å; F697-P730 HydrophobicContact CE2-CB 4.17Å; F697-P730 HydrophobicContact CZ-CB 4.11Å; L700-P730 HydrophobicContact CB-CG 3.79Å; Q701-P730 HydrophobicContact CG-CG 3.88Å; P728-P730 CarbonylContact O-C 3.28Å; P728-P730 VanDerWaalsContact O-O 3.13Å |
| 731 | P | 74.8 | Confident | 77.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.013 | 26% | 0.261 | C | S | . | . | trans | -66.8 | -175.7 | -177.5 | -15.7 | 29.3 | 0 | 0 | 0 | 113.7 | F697 Q701 F725 S733 A736 Y737 | F697-P731 WeakPolarHBondContact CE1-O 3.31Å; Q701-P731 PolarHBondContact NE2-O 2.92Å; F725-P731 HydrophobicContact CE1-CG 4.1Å; F725-P731 HydrophobicContact CZ-CB 4.3Å; F725-P731 HydrophobicContact CZ-CG 3.75Å; P731-S733 VanDerWaalsContact C-N 3.31Å; P731-S733 PolarHBondContact O-N 3.23Å; P731-A736 HydrophobicContact CB-CB 4.21Å; P731-Y737 HydrophobicContact CG-CD2 3.42Å; P731-Y737 VanDerWaalsContact CG-CD2 3.42Å; P731-Y737 HydrophobicContact CG-CE2 4.14Å; P731-Y737 HydrophobicContact CG-CG 4.12Å | ||
| 732 | D | 73.2 | Confident | 77.9 | Confident | 137 Ų | 137 | 41.2 Ų | 41.2 | 73% | 0.733 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -72.8 | -17.6 | 172.6 | -79.9 | -2.9 | 0 | 0 | 0 | 114.1 | ||
| 733 | S | 76.9 | Confident | 78 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | trans | -156.4 | 156.9 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | E683 F697 P731 H735 A736 Y737 | E683-S733 WeakPolarHBondContact OE2-CA 3.22Å; E683-S733 WeakPolarHBondContact OE2-CB 3.19Å; F697-S733 VanDerWaalsContact CE1-C 3.43Å; P731-S733 VanDerWaalsContact C-N 3.31Å; P731-S733 PolarHBondContact O-N 3.23Å; S733-H735 VanDerWaalsContact C-N 3.26Å; S733-A736 PolarHBondContact O-N 3.35Å; S733-A736 WeakPolarHBondContact OG-CB 3.35Å; S733-A736 PolarHBondContact OG-N 3.22Å; S733-A736 VanDerWaalsContact OG-N 3.12Å; S733-Y737 PolarHBondContact O-N 3.01Å | ||
| 734 | L | 80.2 | Confident | 77.9 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -38.2 | 169 | -65.6 | 177.7 | 0 | 0 | 0 | 110.7 | F675 L680 L681 E683 F697 A736 Y737 I738 L758 L762 | F675-L734 HydrophobicContact CE1-CD2 4.47Å; L680-L734 VanDerWaalsContact O-CD1 3.31Å; L680-L734 WeakPolarHBondContact O-CD1 3.23Å; L681-L734 HydrophobicContact CD2-CB 4.34Å; L681-L734 HydrophobicContact CD2-CD1 4.3Å; E683-L734 VanDerWaalsContact CD-N 3.33Å; E683-L734 HydrophobicContact CG-CB 4.1Å; E683-L734 HydrophobicContact CG-CD1 4.22Å; E683-L734 HydrophobicContact CG-CG 4.38Å; E683-L734 PolarHBondContact OE1-N 3.05Å; E683-L734 PolarHBondContact OE2-N 3.21Å; F697-L734 HydrophobicContact CD2-CD2 3.98Å; F697-L734 HydrophobicContact CE2-CD2 3.32Å; F697-L734 HydrophobicContact CE2-CG 4.12Å; F697-L734 HydrophobicContact CZ-CD2 3.75Å; F697-L734 HydrophobicContact CZ-CG 4.29Å; L734-A736 PolarHBondContact O-N 3.31Å; L734-Y737 CarbonylContact O-C 3.53Å; L734-Y737 WeakPolarHBondContact O-CA 3.01Å; L734-Y737 VanDerWaalsContact O-CB 3.3Å; L734-Y737 WeakPolarHBondContact O-CB 3.49Å; L734-Y737 PolarHBondContact O-N 3.5Å; L734-I738 WeakPolarHBondContact O-CG1 3.4Å; L734-I738 PolarHBondContact O-N 3.27Å; L734-L758 HydrophobicContact CD2-CD2 3.73Å; L734-L762 HydrophobicContact CD2-CD1 4.15Å |
| 735 | H | 77.2 | Confident | 77.8 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 17% | 0.167 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -46.5 | -55.1 | 170 | 165.9 | -93.8 | 0 | 0 | 0 | 112.9 | F607 E683 S733 Y737 I738 H739 L1147 | F607-H735 HydrophobicContact CD1-CB 3.65Å; F607-H735 AromaticContact CD1-CD2 3.71Å; F607-H735 AromaticContact CD2-CD2 3.95Å; F607-H735 HydrophobicContact CE1-CB 3.9Å; F607-H735 AromaticContact CE1-CD2 3.98Å; F607-H735 HydrophobicContact CG-CB 4.39Å; F607-H735 AromaticContact CG-CD2 3.67Å; E683-H735 WeakPolarHBondContact OE1-CB 3.5Å; E683-H735 PolarHBondContact OE1-N 3.21Å; S733-H735 VanDerWaalsContact C-N 3.26Å; H735-Y737 PolarHBondContact O-N 3.42Å; H735-I738 PolarHBondContact O-N 2.94Å; H735-H739 AromaticContact CD2-CD2 3.5Å; H735-H739 AromaticContact CE1-CD2 3.7Å; H735-H739 AromaticContact NE2-CD2 3.27Å; H735-H739 PolarHBondContact NE2-CD2 3.4Å; H735-H739 VanDerWaalsContact NE2-CD2 3.27Å; H735-H739 PolarHBondContact O-CD2 2.98Å; H735-H739 PolarHBondContact O-N 3.32Å; H735-L1147 WeakPolarHBondContact NE2-CD1 3.44Å; H735-L1147 WeakPolarHBondContact NE2-CD2 3.48Å |
| 736 | A | 76.2 | Confident | 78.2 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -34.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P731 S733 L734 | P731-A736 HydrophobicContact CB-CB 4.21Å; S733-A736 PolarHBondContact O-N 3.35Å; S733-A736 WeakPolarHBondContact OG-CB 3.35Å; S733-A736 PolarHBondContact OG-N 3.22Å; S733-A736 VanDerWaalsContact OG-N 3.12Å; L734-A736 PolarHBondContact O-N 3.31Å |
| 737 | Y | 80.3 | Confident | 78.9 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -71.3 | -43.9 | 177 | -149.2 | -122.7 | 0 | 0 | 0 | 113.3 | F725 Y729 P731 S733 L734 H735 H739 L740 L754 I755 L758 | F725-Y737 HydrophobicContact CZ-CD2 4.33Å; Y729-Y737 HydrophobicContact CD2-CE2 4.13Å; Y729-Y737 HydrophobicContact CE2-CE2 4.24Å; Y729-Y737 AromaticContact CE2-CZ 3.95Å; Y729-Y737 WeakPolarHBondContact CE2-OH 3.34Å; P731-Y737 HydrophobicContact CG-CD2 3.42Å; P731-Y737 VanDerWaalsContact CG-CD2 3.42Å; P731-Y737 HydrophobicContact CG-CE2 4.14Å; P731-Y737 HydrophobicContact CG-CG 4.12Å; S733-Y737 PolarHBondContact O-N 3.01Å; L734-Y737 CarbonylContact O-C 3.53Å; L734-Y737 WeakPolarHBondContact O-CA 3.01Å; L734-Y737 VanDerWaalsContact O-CB 3.3Å; L734-Y737 WeakPolarHBondContact O-CB 3.49Å; L734-Y737 PolarHBondContact O-N 3.5Å; H735-Y737 PolarHBondContact O-N 3.42Å; Y737-H739 VanDerWaalsContact C-N 3.29Å; Y737-H739 PolarHBondContact O-N 2.88Å; Y737-L740 WeakPolarHBondContact O-CB 3.46Å; Y737-L740 PolarHBondContact O-N 3.41Å; Y737-L740 VanDerWaalsContact O-N 3.14Å; Y737-L754 HydrophobicContact CE1-CB 4.41Å; Y737-L754 VanDerWaalsContact OH-C 3.24Å; Y737-L754 WeakPolarHBondContact OH-CA 3.46Å; Y737-L754 WeakPolarHBondContact OH-CB 3.41Å; Y737-L754 PolarHBondContact OH-O 3.08Å; Y737-I755 HydrophobicContact CE1-CG1 4.4Å; Y737-L758 HydrophobicContact CD1-CB 4.31Å; Y737-L758 HydrophobicContact CD1-CD2 3.35Å; Y737-L758 HydrophobicContact CD1-CG 4.46Å; Y737-L758 HydrophobicContact CE1-CB 3.56Å; Y737-L758 HydrophobicContact CE1-CD2 3.51Å; Y737-L758 HydrophobicContact CE1-CG 4.17Å; Y737-L758 HydrophobicContact CG-CD2 4.16Å |
| 738 | I | 84.4 | Confident | 79.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -34.8 | 178.6 | -64.1 | 167.7 | 0 | 0 | 0 | 110.2 | Y668 V671 L672 F675 L681 L734 H735 L740 M741 | Y668-I738 HydrophobicContact CD2-CG2 4Å; Y668-I738 HydrophobicContact CE2-CG2 3.87Å; V671-I738 HydrophobicContact CG1-CG1 4.39Å; V671-I738 HydrophobicContact CG1-CG2 4.28Å; L672-I738 HydrophobicContact CB-CG2 4.34Å; F675-I738 HydrophobicContact CB-CD1 4.32Å; F675-I738 HydrophobicContact CD1-CD1 3.83Å; F675-I738 HydrophobicContact CE1-CD1 4.27Å; F675-I738 HydrophobicContact CG-CD1 3.99Å; L681-I738 HydrophobicContact CD1-CD1 3.82Å; L734-I738 WeakPolarHBondContact O-CG1 3.4Å; L734-I738 PolarHBondContact O-N 3.27Å; H735-I738 PolarHBondContact O-N 2.94Å; I738-L740 PolarHBondContact O-N 3.06Å; I738-M741 VanDerWaalsContact O-CB 3.24Å; I738-M741 WeakPolarHBondContact O-CB 3.5Å; I738-M741 WeakPolarHBondContact O-CG 3.36Å; I738-M741 PolarHBondContact O-N 3.32Å |
| 739 | H | 79.7 | Confident | 79.9 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -19.1 | 174.6 | -82 | -61.6 | 0 | 0 | 0 | 114.8 | Y668 H735 Y737 M741 L742 P1144 | Y668-H739 AromaticContact CE2-CE1 3.51Å; Y668-H739 AromaticContact CE2-ND1 3.65Å; Y668-H739 AromaticContact CE2-NE2 3.51Å; Y668-H739 AromaticContact CZ-NE2 3.22Å; Y668-H739 PolarHBondContact OH-NE2 3.1Å; H735-H739 AromaticContact CD2-CD2 3.5Å; H735-H739 AromaticContact CE1-CD2 3.7Å; H735-H739 AromaticContact NE2-CD2 3.27Å; H735-H739 PolarHBondContact NE2-CD2 3.4Å; H735-H739 VanDerWaalsContact NE2-CD2 3.27Å; H735-H739 PolarHBondContact O-CD2 2.98Å; H735-H739 PolarHBondContact O-N 3.32Å; Y737-H739 VanDerWaalsContact C-N 3.29Å; Y737-H739 PolarHBondContact O-N 2.88Å; H739-M741 PolarHBondContact O-N 2.87Å; H739-M741 VanDerWaalsContact O-N 3.15Å; H739-L742 WeakPolarHBondContact CE1-CD1 3.28Å; H739-L742 VanDerWaalsContact CE1-CG 3.49Å; H739-L742 WeakPolarHBondContact CE1-CG 3.15Å; H739-L742 PolarHBondContact O-N 3.13Å; H739-P1144 WeakPolarHBondContact NE2-CD 3.32Å; H739-P1144 WeakPolarHBondContact NE2-CG 3.36Å |
| 740 | L | 82.8 | Confident | 80 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -58.9 | -24 | 168.9 | -167.3 | 59.7 | 0 | 0 | 0 | 112.5 | F725 Y737 I738 L742 S743 I746 K751 L754 | F725-L740 HydrophobicContact CD2-CD1 3.63Å; F725-L740 HydrophobicContact CD2-CD2 3.54Å; F725-L740 HydrophobicContact CD2-CG 4.14Å; F725-L740 HydrophobicContact CE2-CD1 4.16Å; F725-L740 HydrophobicContact CE2-CD2 3.99Å; F725-L740 HydrophobicContact CE2-CG 4.48Å; F725-L740 HydrophobicContact CG-CD2 4.28Å; Y737-L740 WeakPolarHBondContact O-CB 3.46Å; Y737-L740 PolarHBondContact O-N 3.41Å; Y737-L740 VanDerWaalsContact O-N 3.14Å; I738-L740 PolarHBondContact O-N 3.06Å; L740-L742 PolarHBondContact O-N 3.46Å; L740-S743 PolarHBondContact O-N 3.02Å; L740-S743 PolarHBondContact O-OG 2.93Å; L740-I746 HydrophobicContact CD1-CD1 3.36Å; L740-I746 HydrophobicContact CG-CD1 3.91Å; L740-K751 WeakPolarHBondContact O-CE 3.46Å; L740-L754 HydrophobicContact CD2-CD1 3.49Å; L740-L754 VanDerWaalsContact CD2-CD1 3.49Å |
| 741 | M | 85.7 | Confident | 80.6 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -61.5 | -27.7 | 174.4 | -66.8 | -63 | -67.8 | 0 | 0 | 113 | T664 E667 Y668 V671 I738 H739 L748 K751 I755 | T664-M741 WeakPolarHBondContact CG2-O 3.4Å; E667-M741 HydrophobicContact CB-CE 3.69Å; Y668-M741 HydrophobicContact CD2-CB 4.2Å; V671-M741 HydrophobicContact CB-CG 4.43Å; V671-M741 HydrophobicContact CG1-CG 4.47Å; V671-M741 HydrophobicContact CG2-CE 3.86Å; V671-M741 HydrophobicContact CG2-CG 4.34Å; V671-M741 HydrophobicContact CG2-SD 4.29Å; I738-M741 VanDerWaalsContact O-CB 3.24Å; I738-M741 WeakPolarHBondContact O-CB 3.5Å; I738-M741 WeakPolarHBondContact O-CG 3.36Å; I738-M741 PolarHBondContact O-N 3.32Å; H739-M741 PolarHBondContact O-N 2.87Å; H739-M741 VanDerWaalsContact O-N 3.15Å; M741-L748 HydrophobicContact CE-CD1 3.89Å; M741-K751 PolarHBondContact O-NZ 3.49Å; M741-K751 HydrophobicContact SD-CB 3.7Å; M741-K751 HydrophobicContact SD-CD 4.11Å; M741-K751 HydrophobicContact SD-CG 4.41Å; M741-I755 HydrophobicContact CG-CD1 4.02Å; M741-I755 HydrophobicContact SD-CD1 3.47Å; M741-I755 WeakPolarHBondContact SD-CD1 3.42Å |
| 742 | L | 86.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -80.9 | -14 | -176.7 | -67.8 | 177.2 | 0 | 0 | 0 | 114.9 | V665 Y668 H739 L740 | V665-L742 HydrophobicContact CG2-CD2 4.38Å; Y668-L742 HydrophobicContact CD1-CD2 3.86Å; Y668-L742 HydrophobicContact CD1-CG 4.37Å; Y668-L742 HydrophobicContact CD2-CD1 4.15Å; Y668-L742 HydrophobicContact CD2-CD2 4.03Å; Y668-L742 HydrophobicContact CD2-CG 3.71Å; Y668-L742 HydrophobicContact CE2-CD1 4.11Å; Y668-L742 HydrophobicContact CE2-CG 4.2Å; Y668-L742 HydrophobicContact CG-CD1 4.4Å; Y668-L742 HydrophobicContact CG-CD2 3.56Å; Y668-L742 HydrophobicContact CG-CG 3.81Å; H739-L742 WeakPolarHBondContact CE1-CD1 3.28Å; H739-L742 VanDerWaalsContact CE1-CG 3.49Å; H739-L742 WeakPolarHBondContact CE1-CG 3.15Å; H739-L742 PolarHBondContact O-N 3.13Å; L740-L742 PolarHBondContact O-N 3.46Å |
| 743 | S | 82.9 | Confident | 82 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | trans | -66.3 | 132.1 | -177.3 | 63.5 | 0 | 0 | 0 | 0 | 112 | L740 I746 K751 | L740-S743 PolarHBondContact O-N 3.02Å; L740-S743 PolarHBondContact O-OG 2.93Å; S743-I746 WeakPolarHBondContact OG-CD1 3.01Å; S743-I746 WeakPolarHBondContact OG-CG1 3.29Å; S743-K751 WeakPolarHBondContact O-CE 3.22Å; S743-K751 PolarHBondContact O-NZ 3.11Å; S743-K751 WeakPolarHBondContact OG-CE 3.48Å | ||
| 744 | P | 72.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 34.8 Ų | 34.8 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -33.5 | -179.9 | 21.4 | -27.3 | 0 | 0 | 0 | 114 | I746 L1141 | P744-I746 PolarHBondContact O-N 2.98Å; P744-L1141 HydrophobicContact CB-CD1 3.74Å; P744-L1141 HydrophobicContact CG-CD1 4.1Å |
| 745 | D | 74.6 | Confident | 83.1 | Confident | 148 Ų | 148 | 34.3 Ų | 34.3 | 79% | 0.791 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6 | -160.9 | -46.7 | -65.5 | 0 | 0 | 0 | 115.1 | ||
| 746 | I | 79.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -99 | 125.9 | -176.9 | -48.5 | 175 | 0 | 0 | 0 | 110.4 | A723 L740 S743 P744 L748 H750 K751 | A723-I746 HydrophobicContact CB-CD1 4.44Å; A723-I746 HydrophobicContact CB-CG2 3.88Å; A723-I746 WeakPolarHBondContact O-CD1 3.35Å; A723-I746 VanDerWaalsContact O-CG1 3.27Å; A723-I746 WeakPolarHBondContact O-CG1 3.35Å; L740-I746 HydrophobicContact CD1-CD1 3.36Å; L740-I746 HydrophobicContact CG-CD1 3.91Å; S743-I746 WeakPolarHBondContact OG-CD1 3.01Å; S743-I746 WeakPolarHBondContact OG-CG1 3.29Å; P744-I746 PolarHBondContact O-N 2.98Å; I746-L748 PolarHBondContact O-N 3.07Å; I746-H750 HydrophobicContact CG2-CB 3.98Å; I746-K751 HydrophobicContact CB-CG 4.16Å; I746-K751 HydrophobicContact CG2-CG 3.84Å; I746-K751 WeakPolarHBondContact O-CE 3.19Å |
| 747 | E | 82.3 | Confident | 84.4 | Confident | 98 Ų | 98 | 31.5 Ų | 31.5 | 46% | 0.458 | 17% | 0.173 | S | C | . | . | trans | -50.4 | 130.7 | 169.7 | -60.7 | -177.9 | 171.2 | 0 | 0 | 110.9 | C749 H750 K751 K813 | E747-C749 PolarHBondContact O-N 2.87Å; E747-H750 WeakPolarHBondContact CB-CE1 3.34Å; E747-H750 VanDerWaalsContact CG-CE1 3.43Å; E747-H750 WeakPolarHBondContact CG-CE1 3.45Å; E747-H750 PolarHBondContact N-CE1 2.95Å; E747-H750 PolarHBondContact O-N 3.42Å; E747-H750 IonicContact OE1-NE2 3.74Å; E747-H750 PolarHBondContact OE1-NE2 3.41Å; E747-H750 IonicContact OE2-CE1 3.23Å; E747-H750 IonicContact OE2-ND1 2.75Å; E747-H750 PolarHBondContact OE2-ND1 3.5Å; E747-H750 IonicContact OE2-NE2 2.84Å; E747-H750 PolarHBondContact OE2-NE2 3.28Å; E747-K751 PolarHBondContact O-N 3.44Å; E747-K813 IonicContact OE2-NZ 3.87Å; E747-K813 PolarHBondContact OE2-NZ 3Å; E747-K813 VanDerWaalsContact OE2-NZ 3.15Å | ||
| 748 | L | 83.8 | Confident | 84.8 | Confident | 75 Ų | 75 | 31.3 Ų | 31.3 | 39% | 0.393 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -53.5 | -32.3 | 177.7 | -173.9 | 63.1 | 0 | 0 | 0 | 112.7 | E667 M741 I746 H750 K751 H752 | E667-L748 HydrophobicContact CB-CD1 4.25Å; E667-L748 HydrophobicContact CG-CD1 4.27Å; E667-L748 HydrophobicContact CG-CD2 4.24Å; M741-L748 HydrophobicContact CE-CD1 3.89Å; I746-L748 PolarHBondContact O-N 3.07Å; L748-H750 PolarHBondContact O-N 3.01Å; L748-K751 HydrophobicContact CD1-CD 4.26Å; L748-K751 PolarHBondContact O-N 2.99Å; L748-H752 PolarHBondContact O-N 3.32Å |
| 749 | C | 84.1 | Confident | 85 | Confident | 77 Ų | 77 | 31.3 Ų | 31.3 | 52% | 0.52 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.3 | -41.4 | 174.6 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | E747 A753 | E747-C749 PolarHBondContact O-N 2.87Å; C749-A753 VanDerWaalsContact O-CB 3.23Å; C749-A753 WeakPolarHBondContact O-CB 3.22Å; C749-A753 PolarHBondContact O-N 2.82Å |
| 750 | H | 86.5 | Confident | 85.5 | Confident | 36 Ų | 36 | 30.3 Ų | 30.3 | 17% | 0.167 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.5 | -37.2 | 176.8 | -60.2 | 132.1 | 0 | 0 | 0 | 111.3 | L719 A723 I746 E747 L748 A753 L754 K813 | L719-H750 HydrophobicContact CD1-CB 4.35Å; A723-H750 HydrophobicContact CB-CB 4.28Å; I746-H750 HydrophobicContact CG2-CB 3.98Å; E747-H750 WeakPolarHBondContact CB-CE1 3.34Å; E747-H750 VanDerWaalsContact CG-CE1 3.43Å; E747-H750 WeakPolarHBondContact CG-CE1 3.45Å; E747-H750 PolarHBondContact N-CE1 2.95Å; E747-H750 PolarHBondContact O-N 3.42Å; E747-H750 IonicContact OE1-NE2 3.74Å; E747-H750 PolarHBondContact OE1-NE2 3.41Å; E747-H750 IonicContact OE2-CE1 3.23Å; E747-H750 IonicContact OE2-ND1 2.75Å; E747-H750 PolarHBondContact OE2-ND1 3.5Å; E747-H750 IonicContact OE2-NE2 2.84Å; E747-H750 PolarHBondContact OE2-NE2 3.28Å; L748-H750 PolarHBondContact O-N 3.01Å; H750-A753 PolarHBondContact O-N 3.22Å; H750-L754 VanDerWaalsContact O-CG 3.32Å; H750-L754 WeakPolarHBondContact O-CG 3.45Å; H750-L754 PolarHBondContact O-N 2.9Å; H750-K813 PolarHBondContact NE2-NZ 2.67Å |
| 751 | K | 87.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 30.2 Ų | 30.2 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 174.7 | -61.2 | 176.4 | 173.2 | 178.8 | 0 | 111.9 | L740 M741 S743 I746 E747 L748 L754 I755 | L740-K751 WeakPolarHBondContact O-CE 3.46Å; M741-K751 PolarHBondContact O-NZ 3.49Å; M741-K751 HydrophobicContact SD-CB 3.7Å; M741-K751 HydrophobicContact SD-CD 4.11Å; M741-K751 HydrophobicContact SD-CG 4.41Å; S743-K751 WeakPolarHBondContact O-CE 3.22Å; S743-K751 PolarHBondContact O-NZ 3.11Å; S743-K751 WeakPolarHBondContact OG-CE 3.48Å; I746-K751 HydrophobicContact CB-CG 4.16Å; I746-K751 HydrophobicContact CG2-CG 3.84Å; I746-K751 WeakPolarHBondContact O-CE 3.19Å; E747-K751 PolarHBondContact O-N 3.44Å; L748-K751 HydrophobicContact CD1-CD 4.26Å; L748-K751 PolarHBondContact O-N 2.99Å; K751-L754 PolarHBondContact O-N 3.43Å; K751-I755 PolarHBondContact O-N 2.95Å; K751-I755 VanDerWaalsContact O-N 3.08Å |
| 752 | H | 89.4 | Confident | 85.7 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.2 | -36.2 | 175.4 | -68.4 | 168.4 | 0 | 0 | 0 | 112.6 | L748 L754 I755 L756 L776 | L748-H752 PolarHBondContact O-N 3.32Å; H752-L754 VanDerWaalsContact C-N 3.34Å; H752-I755 PolarHBondContact O-N 3.31Å; H752-L756 WeakPolarHBondContact O-CB 3.39Å; H752-L756 PolarHBondContact O-N 2.97Å; H752-L776 HydrophobicContact CB-CD1 4.42Å; H752-L776 HydrophobicContact CB-CD2 3.93Å; H752-L776 WeakPolarHBondContact ND1-CD2 3.04Å |
| 753 | A | 89.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L719 C749 H750 Y757 L780 L784 | L719-A753 HydrophobicContact CD2-CB 4.03Å; C749-A753 VanDerWaalsContact O-CB 3.23Å; C749-A753 WeakPolarHBondContact O-CB 3.22Å; C749-A753 PolarHBondContact O-N 2.82Å; H750-A753 PolarHBondContact O-N 3.22Å; A753-Y757 WeakPolarHBondContact O-CB 3.2Å; A753-Y757 PolarHBondContact O-N 3.42Å; A753-L780 HydrophobicContact CB-CD1 4.27Å; A753-L784 HydrophobicContact CB-CD1 3.86Å; A753-L784 HydrophobicContact CB-CD2 4.19Å |
| 754 | L | 89.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -53.3 | 173.3 | -74.2 | 171.1 | 0 | 0 | 0 | 111.2 | I716 L719 A723 Y737 L740 H750 K751 H752 L756 Y757 L758 | I716-L754 HydrophobicContact CD1-CD2 3.54Å; L719-L754 HydrophobicContact CD2-CD2 3.75Å; L719-L754 HydrophobicContact CD2-CG 4.01Å; L719-L754 HydrophobicContact CG-CD2 3.9Å; L719-L754 HydrophobicContact CG-CG 4.21Å; A723-L754 HydrophobicContact CB-CD1 3.94Å; Y737-L754 HydrophobicContact CE1-CB 4.41Å; Y737-L754 VanDerWaalsContact OH-C 3.24Å; Y737-L754 WeakPolarHBondContact OH-CA 3.46Å; Y737-L754 WeakPolarHBondContact OH-CB 3.41Å; Y737-L754 PolarHBondContact OH-O 3.08Å; L740-L754 HydrophobicContact CD2-CD1 3.49Å; L740-L754 VanDerWaalsContact CD2-CD1 3.49Å; H750-L754 VanDerWaalsContact O-CG 3.32Å; H750-L754 WeakPolarHBondContact O-CG 3.45Å; H750-L754 PolarHBondContact O-N 2.9Å; K751-L754 PolarHBondContact O-N 3.43Å; H752-L754 VanDerWaalsContact C-N 3.34Å; L754-L756 VanDerWaalsContact C-N 3.32Å; L754-L756 PolarHBondContact O-N 3.36Å; L754-Y757 WeakPolarHBondContact O-CB 3.47Å; L754-Y757 PolarHBondContact O-N 3.24Å; L754-L758 PolarHBondContact O-N 2.72Å |
| 755 | I | 89.5 | Confident | 85.8 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 177.9 | -66.6 | 164 | 0 | 0 | 0 | 111.9 | V671 F675 Y737 M741 K751 H752 Y757 L758 L759 F770 | V671-I755 HydrophobicContact CB-CD1 4.47Å; V671-I755 HydrophobicContact CG1-CD1 3.78Å; V671-I755 HydrophobicContact CG2-CD1 3.85Å; F675-I755 HydrophobicContact CE2-CG2 3.92Å; F675-I755 HydrophobicContact CZ-CG2 4.14Å; Y737-I755 HydrophobicContact CE1-CG1 4.4Å; M741-I755 HydrophobicContact CG-CD1 4.02Å; M741-I755 HydrophobicContact SD-CD1 3.47Å; M741-I755 WeakPolarHBondContact SD-CD1 3.42Å; K751-I755 PolarHBondContact O-N 2.95Å; K751-I755 VanDerWaalsContact O-N 3.08Å; H752-I755 PolarHBondContact O-N 3.31Å; I755-Y757 VanDerWaalsContact C-N 3.29Å; I755-Y757 PolarHBondContact O-N 2.79Å; I755-L758 PolarHBondContact O-N 3.46Å; I755-L759 HydrophobicContact CG2-CD1 3.95Å; I755-L759 HydrophobicContact CG2-CG 4.37Å; I755-L759 VanDerWaalsContact O-CG 3.31Å; I755-L759 WeakPolarHBondContact O-CG 3.31Å; I755-L759 PolarHBondContact O-N 2.88Å; I755-F770 HydrophobicContact CB-CE1 4.35Å; I755-F770 HydrophobicContact CB-CZ 4.1Å; I755-F770 HydrophobicContact CD1-CZ 4.41Å; I755-F770 HydrophobicContact CG2-CD2 4.34Å; I755-F770 HydrophobicContact CG2-CE1 3.87Å; I755-F770 HydrophobicContact CG2-CE2 3.66Å; I755-F770 HydrophobicContact CG2-CZ 3.39Å |
| 756 | L | 89.6 | Confident | 86.4 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -36.1 | 178 | -160.7 | 86.6 | 0 | 0 | 0 | 112.2 | H752 L754 L759 M760 V767 F770 Q771 L776 A781 L784 | H752-L756 WeakPolarHBondContact O-CB 3.39Å; H752-L756 PolarHBondContact O-N 2.97Å; L754-L756 VanDerWaalsContact C-N 3.32Å; L754-L756 PolarHBondContact O-N 3.36Å; L756-L759 PolarHBondContact O-N 2.94Å; L756-M760 PolarHBondContact O-N 3.08Å; L756-M760 VanDerWaalsContact O-N 3.1Å; L756-V767 HydrophobicContact CD1-CG1 3.95Å; L756-V767 HydrophobicContact CD2-CG1 4.36Å; L756-V767 HydrophobicContact CG-CG1 4.07Å; L756-F770 HydrophobicContact CD1-CB 4.4Å; L756-F770 HydrophobicContact CD1-CD1 3.87Å; L756-Q771 HydrophobicContact CD1-CG 3.86Å; L756-L776 HydrophobicContact CD1-CD1 4.11Å; L756-A781 HydrophobicContact CD2-CB 4.32Å; L756-L784 HydrophobicContact CB-CD1 4.17Å; L756-L784 HydrophobicContact CD2-CB 4.27Å; L756-L784 HydrophobicContact CD2-CD1 3.63Å |
| 757 | Y | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -45.1 | 176.3 | -165.9 | -79.3 | 0 | 0 | 0 | 111.5 | Y704 Y715 I716 Y729 A753 L754 I755 L759 M760 D761 L784 W788 D791 | Y704-Y757 HydrophobicContact CE1-CE1 4.48Å; Y704-Y757 VanDerWaalsContact OH-CE1 3.29Å; Y704-Y757 WeakPolarHBondContact OH-CE1 3.32Å; Y704-Y757 PolarHBondContact OH-OH 2.69Å; Y715-Y757 HydrophobicContact CD1-CD2 4.15Å; Y715-Y757 HydrophobicContact CD1-CE2 4Å; Y715-Y757 HydrophobicContact CE1-CD2 4.31Å; I716-Y757 HydrophobicContact CB-CD1 4.2Å; I716-Y757 HydrophobicContact CB-CE1 3.82Å; I716-Y757 HydrophobicContact CD1-CD1 3.59Å; I716-Y757 HydrophobicContact CD1-CD2 4.37Å; I716-Y757 HydrophobicContact CD1-CE1 4.13Å; I716-Y757 HydrophobicContact CD1-CG 3.75Å; I716-Y757 HydrophobicContact CG1-CD1 3.8Å; I716-Y757 HydrophobicContact CG1-CE1 3.87Å; I716-Y757 HydrophobicContact CG1-CG 4.4Å; I716-Y757 HydrophobicContact CG2-CE1 4.34Å; Y729-Y757 HydrophobicContact CE1-CD1 4.18Å; Y729-Y757 AromaticContact CE1-CE1 3.97Å; Y729-Y757 HydrophobicContact CE1-CE1 3.97Å; Y729-Y757 HydrophobicContact CE2-CD1 4.48Å; Y729-Y757 AromaticContact CZ-CD1 3.87Å; A753-Y757 WeakPolarHBondContact O-CB 3.2Å; A753-Y757 PolarHBondContact O-N 3.42Å; L754-Y757 WeakPolarHBondContact O-CB 3.47Å; L754-Y757 PolarHBondContact O-N 3.24Å; I755-Y757 VanDerWaalsContact C-N 3.29Å; I755-Y757 PolarHBondContact O-N 2.79Å; Y757-L759 VanDerWaalsContact C-N 3.32Å; Y757-L759 PolarHBondContact O-N 2.68Å; Y757-M760 HydrophobicContact CD2-CE 3.89Å; Y757-M760 HydrophobicContact CG-CE 4.29Å; Y757-M760 WeakPolarHBondContact O-CB 3.47Å; Y757-M760 PolarHBondContact O-N 2.99Å; Y757-M760 VanDerWaalsContact O-N 3.13Å; Y757-D761 PolarHBondContact O-N 3Å; Y757-L784 HydrophobicContact CD2-CD2 4.39Å; Y757-W788 HydrophobicContact CD2-CB 4.49Å; Y757-W788 HydrophobicContact CE2-CB 3.88Å; Y757-W788 AromaticContact CE2-CD1 3.96Å; Y757-W788 HydrophobicContact CE2-CG 4.36Å; Y757-W788 AromaticContact CZ-CD1 3.71Å; Y757-D791 WeakPolarHBondContact OH-CB 3.4Å; Y757-D791 PolarHBondContact OH-OD2 3.26Å |
| 758 | L | 89.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 172.7 | 176.3 | 61.5 | 0 | 0 | 0 | 112.8 | F697 Y729 L734 Y737 L754 I755 M760 D761 L762 | F697-L758 HydrophobicContact CE2-CD1 3.8Å; F697-L758 HydrophobicContact CE2-CD2 4.27Å; Y729-L758 HydrophobicContact CE2-CB 4.41Å; Y729-L758 WeakPolarHBondContact OH-CA 3.46Å; L734-L758 HydrophobicContact CD2-CD2 3.73Å; Y737-L758 HydrophobicContact CD1-CB 4.31Å; Y737-L758 HydrophobicContact CD1-CD2 3.35Å; Y737-L758 HydrophobicContact CD1-CG 4.46Å; Y737-L758 HydrophobicContact CE1-CB 3.56Å; Y737-L758 HydrophobicContact CE1-CD2 3.51Å; Y737-L758 HydrophobicContact CE1-CG 4.17Å; Y737-L758 HydrophobicContact CG-CD2 4.16Å; L754-L758 PolarHBondContact O-N 2.72Å; I755-L758 PolarHBondContact O-N 3.46Å; L758-M760 VanDerWaalsContact C-N 3.26Å; L758-M760 PolarHBondContact O-N 2.58Å; L758-D761 PolarHBondContact O-N 3.19Å; L758-L762 HydrophobicContact CD1-CD1 3.87Å; L758-L762 HydrophobicContact CD1-CD2 4.5Å; L758-L762 HydrophobicContact CD1-CG 3.86Å; L758-L762 HydrophobicContact CD2-CD1 4.29Å; L758-L762 HydrophobicContact CG-CD1 3.8Å; L758-L762 HydrophobicContact CG-CG 4.22Å; L758-L762 WeakPolarHBondContact O-CG 3.48Å; L758-L762 PolarHBondContact O-N 3.44Å |
| 759 | L | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -26.2 | 176.5 | -68.8 | 171.9 | 0 | 0 | 0 | 112.7 | W674 F675 L680 I755 L756 Y757 N763 L766 V767 F770 | W674-L759 HydrophobicContact CH2-CD1 3.61Å; W674-L759 HydrophobicContact CH2-CD2 3.95Å; W674-L759 HydrophobicContact CH2-CG 4.45Å; W674-L759 HydrophobicContact CZ3-CD1 3.8Å; W674-L759 HydrophobicContact CZ3-CD2 3.82Å; W674-L759 HydrophobicContact CZ3-CG 4.48Å; F675-L759 HydrophobicContact CZ-CD2 4.36Å; L680-L759 HydrophobicContact CD1-CD2 3.69Å; I755-L759 HydrophobicContact CG2-CD1 3.95Å; I755-L759 HydrophobicContact CG2-CG 4.37Å; I755-L759 VanDerWaalsContact O-CG 3.31Å; I755-L759 WeakPolarHBondContact O-CG 3.31Å; I755-L759 PolarHBondContact O-N 2.88Å; L756-L759 PolarHBondContact O-N 2.94Å; Y757-L759 VanDerWaalsContact C-N 3.32Å; Y757-L759 PolarHBondContact O-N 2.68Å; L759-N763 CarbonylContact O-C 3.55Å; L759-N763 PolarHBondContact O-N 2.81Å; L759-L766 HydrophobicContact CD2-CB 4.35Å; L759-L766 HydrophobicContact CD2-CD1 4.34Å; L759-V767 HydrophobicContact CB-CG2 3.89Å; L759-F770 HydrophobicContact CD1-CB 3.7Å; L759-F770 HydrophobicContact CD1-CD1 4.2Å; L759-F770 HydrophobicContact CD1-CD2 3.62Å; L759-F770 HydrophobicContact CD1-CE2 4.32Å; L759-F770 HydrophobicContact CD1-CG 3.57Å |
| 760 | M | 89.2 | Confident | 87.3 | Confident | 9 Ų | 9 | 31.4 Ų | 31.4 | 4% | 0.044 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -41.3 | 170.4 | -71.8 | -176 | -64 | 0 | 0 | 112.2 | L756 Y757 L758 V767 L784 R785 W788 | L756-M760 PolarHBondContact O-N 3.08Å; L756-M760 VanDerWaalsContact O-N 3.1Å; Y757-M760 HydrophobicContact CD2-CE 3.89Å; Y757-M760 HydrophobicContact CG-CE 4.29Å; Y757-M760 WeakPolarHBondContact O-CB 3.47Å; Y757-M760 PolarHBondContact O-N 2.99Å; Y757-M760 VanDerWaalsContact O-N 3.13Å; L758-M760 VanDerWaalsContact C-N 3.26Å; L758-M760 PolarHBondContact O-N 2.58Å; M760-V767 HydrophobicContact CB-CG2 4.33Å; M760-V767 HydrophobicContact CG-CG1 4.22Å; M760-V767 HydrophobicContact CG-CG2 3.56Å; M760-L784 HydrophobicContact CE-CB 3.91Å; M760-R785 HydrophobicContact SD-CB 4.37Å; M760-R785 HydrophobicContact SD-CG 3.73Å; M760-W788 HydrophobicContact CB-CD2 4.27Å; M760-W788 HydrophobicContact CB-CG 4.02Å; M760-W788 HydrophobicContact CE-CB 3.64Å; M760-W788 HydrophobicContact CE-CG 3.95Å; M760-W788 HydrophobicContact SD-CB 3.99Å; M760-W788 HydrophobicContact SD-CG 4.09Å |
| 761 | D | 88.8 | Confident | 87.5 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 12% | 0.118 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67 | -33.3 | 175.4 | -79.9 | -14.5 | 0 | 0 | 0 | 112.8 | L700 Y704 Y729 Y757 L758 W788 H792 | L700-D761 HydrophobicContact CD1-CB 3.86Å; L700-D761 HydrophobicContact CD2-CB 3.81Å; L700-D761 HydrophobicContact CG-CB 4.5Å; Y704-D761 WeakPolarHBondContact CE2-OD2 3.5Å; Y704-D761 PolarHBondContact OH-OD1 2.59Å; Y704-D761 VanDerWaalsContact OH-OD1 3.06Å; Y704-D761 PolarHBondContact OH-OD2 3.01Å; Y704-D761 VanDerWaalsContact OH-OD2 3.08Å; Y729-D761 WeakPolarHBondContact CE1-OD2 3.39Å; Y729-D761 VanDerWaalsContact CZ-OD2 3.28Å; Y729-D761 PolarHBondContact OH-OD2 2.9Å; Y757-D761 PolarHBondContact O-N 3Å; L758-D761 PolarHBondContact O-N 3.19Å; D761-W788 PolarHBondContact OD1-NE1 3.34Å; D761-H792 IonicContact OD1-CE1 2.65Å; D761-H792 PolarHBondContact OD1-CE1 3.48Å; D761-H792 IonicContact OD1-NE2 2.79Å |
| 762 | L | 83.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 37.6 Ų | 37.6 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -86 | -53.3 | -179.5 | -68.4 | 176.4 | 0 | 0 | 0 | 113.6 | A696 F697 L700 L734 L758 | A696-L762 HydrophobicContact CB-CD2 4.39Å; F697-L762 HydrophobicContact CD2-CD2 4.48Å; L700-L762 HydrophobicContact CD1-CD2 4.01Å; L734-L762 HydrophobicContact CD2-CD1 4.15Å; L758-L762 HydrophobicContact CD1-CD1 3.87Å; L758-L762 HydrophobicContact CD1-CD2 4.5Å; L758-L762 HydrophobicContact CD1-CG 3.86Å; L758-L762 HydrophobicContact CD2-CD1 4.29Å; L758-L762 HydrophobicContact CG-CD1 3.8Å; L758-L762 HydrophobicContact CG-CG 4.22Å; L758-L762 WeakPolarHBondContact O-CG 3.48Å; L758-L762 PolarHBondContact O-N 3.44Å |
| 763 | N | 81.9 | Confident | 87.4 | Confident | 66 Ų | 66 | 39 Ų | 39 | 35% | 0.353 | 20% | 0.199 | S | C | . | . | trans | -164.2 | 103.7 | 179.9 | -179 | -11.1 | 0 | 0 | 0 | 111.4 | L759 Q765 L766 | L759-N763 CarbonylContact O-C 3.55Å; L759-N763 PolarHBondContact O-N 2.81Å; N763-Q765 PolarHBondContact O-N 2.92Å; N763-Q765 WeakPolarHBondContact OD1-CB 3.47Å; N763-Q765 PolarHBondContact OD1-N 3.26Å; N763-L766 HydrophobicContact CB-CD1 3.97Å; N763-L766 HydrophobicContact CB-CG 3.98Å; N763-L766 WeakPolarHBondContact O-CB 3.49Å; N763-L766 PolarHBondContact O-N 2.95Å | ||
| 764 | Q | 82.4 | Confident | 87.3 | Confident | 103 Ų | 103 | 39.6 Ų | 39.6 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -55.3 | -21.7 | -179.7 | -63.6 | -174.2 | -4.3 | 0 | 0 | 115.2 | L766 V767 W788 | Q764-L766 VanDerWaalsContact C-N 3.34Å; Q764-V767 WeakPolarHBondContact O-CB 3.38Å; Q764-W788 VanDerWaalsContact NE2-CZ3 3.3Å |
| 765 | Q | 80.6 | Confident | 87.2 | Confident | 151 Ų | 151 | 48 Ų | 48 | 71% | 0.706 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -70.1 | -30.9 | 175.2 | -60.8 | -173.6 | -7.4 | 0 | 0 | 112.6 | N763 V767 | N763-Q765 PolarHBondContact O-N 2.92Å; N763-Q765 WeakPolarHBondContact OD1-CB 3.47Å; N763-Q765 PolarHBondContact OD1-N 3.26Å; Q765-V767 VanDerWaalsContact C-N 3.29Å; Q765-V767 PolarHBondContact O-N 3.27Å |
| 766 | L | 85.9 | Confident | 87 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.3 | -27.1 | -179.5 | -62.4 | -176.3 | 0 | 0 | 0 | 112.3 | W674 H678 L680 L759 N763 Q764 G768 R769 F770 | W674-L766 HydrophobicContact CH2-CB 4.04Å; H678-L766 HydrophobicContact CB-CD2 4.46Å; L680-L766 HydrophobicContact CD1-CD1 4.11Å; L680-L766 HydrophobicContact CD2-CD1 3.93Å; L680-L766 HydrophobicContact CG-CD1 4.28Å; L759-L766 HydrophobicContact CD2-CB 4.35Å; L759-L766 HydrophobicContact CD2-CD1 4.34Å; N763-L766 HydrophobicContact CB-CD1 3.97Å; N763-L766 HydrophobicContact CB-CG 3.98Å; N763-L766 WeakPolarHBondContact O-CB 3.49Å; N763-L766 PolarHBondContact O-N 2.95Å; Q764-L766 VanDerWaalsContact C-N 3.34Å; L766-G768 VanDerWaalsContact C-N 3.31Å; L766-G768 PolarHBondContact O-N 2.96Å; L766-R769 PolarHBondContact O-N 3.45Å; L766-R769 VanDerWaalsContact O-N 3.08Å; L766-F770 PolarHBondContact O-N 3.24Å |
| 767 | V | 87.5 | Confident | 86.7 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -42.5 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 112 | L756 L759 M760 Q764 Q765 Q771 | L756-V767 HydrophobicContact CD1-CG1 3.95Å; L756-V767 HydrophobicContact CD2-CG1 4.36Å; L756-V767 HydrophobicContact CG-CG1 4.07Å; L759-V767 HydrophobicContact CB-CG2 3.89Å; M760-V767 HydrophobicContact CB-CG2 4.33Å; M760-V767 HydrophobicContact CG-CG1 4.22Å; M760-V767 HydrophobicContact CG-CG2 3.56Å; Q764-V767 WeakPolarHBondContact O-CB 3.38Å; Q765-V767 VanDerWaalsContact C-N 3.29Å; Q765-V767 PolarHBondContact O-N 3.27Å; V767-Q771 VanDerWaalsContact O-CD 3.32Å; V767-Q771 VanDerWaalsContact O-CG 3.27Å; V767-Q771 WeakPolarHBondContact O-CG 3.22Å; V767-Q771 PolarHBondContact O-N 3.45Å; V767-Q771 VanDerWaalsContact O-N 3.09Å; V767-Q771 PolarHBondContact O-NE2 2.72Å |
| 768 | G | 84.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L766 Q771 I772 | L766-G768 VanDerWaalsContact C-N 3.31Å; L766-G768 PolarHBondContact O-N 2.96Å; G768-Q771 PolarHBondContact O-N 2.92Å; G768-I772 WeakPolarHBondContact O-CG1 3.19Å; G768-I772 PolarHBondContact O-N 3.42Å |
| 769 | R | 87.2 | Confident | 85.8 | Confident | 145 Ų | 145 | 61 Ų | 61 | 55% | 0.547 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176.2 | -61.2 | -174.6 | -177 | -173 | 1.9 | 111.7 | W674 L766 I772 A773 | W674-R769 HydrophobicContact CZ2-CB 4.25Å; L766-R769 PolarHBondContact O-N 3.45Å; L766-R769 VanDerWaalsContact O-N 3.08Å; R769-I772 PolarHBondContact O-N 3.05Å; R769-A773 VanDerWaalsContact O-CB 3.31Å; R769-A773 WeakPolarHBondContact O-CB 3.48Å; R769-A773 PolarHBondContact O-N 3.35Å |
| 770 | F | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.2 | -165 | -96.2 | 0 | 0 | 0 | 111.6 | V671 W674 I755 L756 L759 L766 I772 A773 F774 L776 | V671-F770 HydrophobicContact CG2-CE2 4.47Å; V671-F770 HydrophobicContact CG2-CZ 4.3Å; W674-F770 AromaticContact CD2-CD2 3.77Å; W674-F770 HydrophobicContact CD2-CD2 3.77Å; W674-F770 HydrophobicContact CD2-CE2 4.32Å; W674-F770 AromaticContact CE2-CD2 3.73Å; W674-F770 AromaticContact CE3-CD2 3.81Å; W674-F770 HydrophobicContact CE3-CD2 3.81Å; W674-F770 HydrophobicContact CE3-CE2 4.23Å; W674-F770 HydrophobicContact CG-CD2 4.48Å; W674-F770 HydrophobicContact CH2-CB 3.94Å; W674-F770 AromaticContact CH2-CD2 3.78Å; W674-F770 HydrophobicContact CH2-CD2 3.78Å; W674-F770 HydrophobicContact CH2-CG 4.32Å; W674-F770 HydrophobicContact CZ2-CB 3.63Å; W674-F770 AromaticContact CZ2-CD2 3.76Å; W674-F770 HydrophobicContact CZ2-CD2 3.76Å; W674-F770 HydrophobicContact CZ2-CG 4.21Å; W674-F770 AromaticContact CZ3-CD2 3.82Å; W674-F770 HydrophobicContact CZ3-CD2 3.82Å; W674-F770 HydrophobicContact CZ3-CE2 4.5Å; I755-F770 HydrophobicContact CB-CE1 4.35Å; I755-F770 HydrophobicContact CB-CZ 4.1Å; I755-F770 HydrophobicContact CD1-CZ 4.41Å; I755-F770 HydrophobicContact CG2-CD2 4.34Å; I755-F770 HydrophobicContact CG2-CE1 3.87Å; I755-F770 HydrophobicContact CG2-CE2 3.66Å; I755-F770 HydrophobicContact CG2-CZ 3.39Å; L756-F770 HydrophobicContact CD1-CB 4.4Å; L756-F770 HydrophobicContact CD1-CD1 3.87Å; L759-F770 HydrophobicContact CD1-CB 3.7Å; L759-F770 HydrophobicContact CD1-CD1 4.2Å; L759-F770 HydrophobicContact CD1-CD2 3.62Å; L759-F770 HydrophobicContact CD1-CE2 4.32Å; L759-F770 HydrophobicContact CD1-CG 3.57Å; L766-F770 PolarHBondContact O-N 3.24Å; F770-I772 VanDerWaalsContact C-N 3.31Å; F770-I772 PolarHBondContact O-N 2.69Å; F770-A773 PolarHBondContact O-N 3.4Å; F770-F774 HydrophobicContact CD1-CD2 4.16Å; F770-F774 AromaticContact CD2-CD2 3.65Å; F770-F774 HydrophobicContact CD2-CD2 3.65Å; F770-F774 AromaticContact CD2-CE2 3.67Å; F770-F774 HydrophobicContact CD2-CE2 3.67Å; F770-F774 HydrophobicContact CE1-CB 4.38Å; F770-F774 AromaticContact CE1-CD2 3.99Å; F770-F774 HydrophobicContact CE1-CD2 3.99Å; F770-F774 HydrophobicContact CE1-CG 4.18Å; F770-F774 AromaticContact CE2-CD2 3.44Å; F770-F774 HydrophobicContact CE2-CD2 3.44Å; F770-F774 VanDerWaalsContact CE2-CD2 3.44Å; F770-F774 AromaticContact CE2-CE2 3.28Å; F770-F774 HydrophobicContact CE2-CE2 3.28Å; F770-F774 HydrophobicContact CE2-CG 4.25Å; F770-F774 AromaticContact CE2-CZ 3.97Å; F770-F774 HydrophobicContact CE2-CZ 3.97Å; F770-F774 HydrophobicContact CG-CD2 4Å; F770-F774 HydrophobicContact CG-CE2 4.47Å; F770-F774 HydrophobicContact CZ-CD1 4.42Å; F770-F774 AromaticContact CZ-CD2 3.61Å; F770-F774 HydrophobicContact CZ-CD2 3.61Å; F770-F774 AromaticContact CZ-CE2 3.81Å; F770-F774 HydrophobicContact CZ-CE2 3.81Å; F770-F774 AromaticContact CZ-CG 3.96Å; F770-F774 HydrophobicContact CZ-CG 3.96Å; F770-F774 HydrophobicContact CZ-CZ 4.29Å; F770-F774 PolarHBondContact O-N 3.15Å; F770-L776 HydrophobicContact CD1-CD1 3.7Å; F770-L776 HydrophobicContact CE1-CD1 3.85Å |
| 771 | Q | 89.4 | Confident | 85.3 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 15% | 0.15 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.5 | -43.7 | 176.1 | -76.7 | 158.8 | 20.9 | 0 | 0 | 112.4 | L756 V767 G768 Q775 L776 A781 | L756-Q771 HydrophobicContact CD1-CG 3.86Å; V767-Q771 VanDerWaalsContact O-CD 3.32Å; V767-Q771 VanDerWaalsContact O-CG 3.27Å; V767-Q771 WeakPolarHBondContact O-CG 3.22Å; V767-Q771 PolarHBondContact O-N 3.45Å; V767-Q771 VanDerWaalsContact O-N 3.09Å; V767-Q771 PolarHBondContact O-NE2 2.72Å; G768-Q771 PolarHBondContact O-N 2.92Å; Q771-Q775 WeakPolarHBondContact O-CA 3.42Å; Q771-Q775 PolarHBondContact O-N 2.97Å; Q771-L776 HydrophobicContact CG-CB 4.34Å; Q771-L776 HydrophobicContact CG-CD1 4.4Å; Q771-L776 PolarHBondContact O-N 2.99Å; Q771-A781 VanDerWaalsContact CD-CB 3.47Å; Q771-A781 HydrophobicContact CG-CB 4.22Å |
| 772 | I | 87.5 | Confident | 85.2 | Confident | 141 Ų | 141 | 62.9 Ų | 62.9 | 72% | 0.723 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.9 | -49.2 | 176.8 | -63.7 | 166.4 | 0 | 0 | 0 | 110.8 | G768 R769 F770 F774 Q775 | G768-I772 WeakPolarHBondContact O-CG1 3.19Å; G768-I772 PolarHBondContact O-N 3.42Å; R769-I772 PolarHBondContact O-N 3.05Å; F770-I772 VanDerWaalsContact C-N 3.31Å; F770-I772 PolarHBondContact O-N 2.69Å; I772-F774 VanDerWaalsContact C-N 3.29Å; I772-F774 PolarHBondContact O-N 3.34Å; I772-Q775 PolarHBondContact O-N 3.01Å |
| 773 | A | 87.3 | Confident | 85.4 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -26.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | R670 R769 F770 | R670-A773 PolarHBondContact NH2-O 3.15Å; R769-A773 VanDerWaalsContact O-CB 3.31Å; R769-A773 WeakPolarHBondContact O-CB 3.48Å; R769-A773 PolarHBondContact O-N 3.35Å; F770-A773 PolarHBondContact O-N 3.4Å |
| 774 | F | 88.9 | Confident | 85.7 | Confident | 16 Ų | 16 | 57.7 Ų | 57.7 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 6.7 | 178.8 | -69.5 | -92.7 | 0 | 0 | 0 | 113.9 | R670 V671 W674 F770 I772 L776 | R670-F774 HydrophobicContact CB-CE1 3.69Å; R670-F774 HydrophobicContact CB-CZ 3.92Å; V671-F774 HydrophobicContact CB-CZ 4.47Å; V671-F774 HydrophobicContact CG2-CE1 3.74Å; V671-F774 HydrophobicContact CG2-CZ 3.79Å; W674-F774 HydrophobicContact CB-CE2 4.09Å; W674-F774 HydrophobicContact CB-CZ 4.29Å; W674-F774 AromaticContact CD1-CE2 3.93Å; W674-F774 HydrophobicContact CD2-CE2 4.49Å; W674-F774 AromaticContact CG-CE2 3.92Å; W674-F774 HydrophobicContact CG-CE2 3.92Å; F770-F774 HydrophobicContact CD1-CD2 4.16Å; F770-F774 AromaticContact CD2-CD2 3.65Å; F770-F774 HydrophobicContact CD2-CD2 3.65Å; F770-F774 AromaticContact CD2-CE2 3.67Å; F770-F774 HydrophobicContact CD2-CE2 3.67Å; F770-F774 HydrophobicContact CE1-CB 4.38Å; F770-F774 AromaticContact CE1-CD2 3.99Å; F770-F774 HydrophobicContact CE1-CD2 3.99Å; F770-F774 HydrophobicContact CE1-CG 4.18Å; F770-F774 AromaticContact CE2-CD2 3.44Å; F770-F774 HydrophobicContact CE2-CD2 3.44Å; F770-F774 VanDerWaalsContact CE2-CD2 3.44Å; F770-F774 AromaticContact CE2-CE2 3.28Å; F770-F774 HydrophobicContact CE2-CE2 3.28Å; F770-F774 HydrophobicContact CE2-CG 4.25Å; F770-F774 AromaticContact CE2-CZ 3.97Å; F770-F774 HydrophobicContact CE2-CZ 3.97Å; F770-F774 HydrophobicContact CG-CD2 4Å; F770-F774 HydrophobicContact CG-CE2 4.47Å; F770-F774 HydrophobicContact CZ-CD1 4.42Å; F770-F774 AromaticContact CZ-CD2 3.61Å; F770-F774 HydrophobicContact CZ-CD2 3.61Å; F770-F774 AromaticContact CZ-CE2 3.81Å; F770-F774 HydrophobicContact CZ-CE2 3.81Å; F770-F774 AromaticContact CZ-CG 3.96Å; F770-F774 HydrophobicContact CZ-CG 3.96Å; F770-F774 HydrophobicContact CZ-CZ 4.29Å; F770-F774 PolarHBondContact O-N 3.15Å; I772-F774 VanDerWaalsContact C-N 3.29Å; I772-F774 PolarHBondContact O-N 3.34Å; F774-L776 VanDerWaalsContact C-N 3.28Å; F774-L776 HydrophobicContact CB-CD2 3.99Å; F774-L776 HydrophobicContact CB-CG 3.97Å; F774-L776 PolarHBondContact O-N 3.38Å |
| 775 | Q | 87.6 | Confident | 86.1 | Confident | 179 Ų | 179 | 55.8 Ų | 55.8 | 84% | 0.836 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 44.5 | 177.5 | -59.4 | 177.6 | -0.5 | 0 | 0 | 112.7 | Q771 I772 | Q771-Q775 WeakPolarHBondContact O-CA 3.42Å; Q771-Q775 PolarHBondContact O-N 2.97Å; I772-Q775 PolarHBondContact O-N 3.01Å |
| 776 | L | 85.2 | Confident | 86.5 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | trans | -78.2 | 145 | -175.9 | -57.2 | -178.1 | 0 | 0 | 0 | 112 | H752 L756 F770 Q771 F774 | H752-L776 HydrophobicContact CB-CD1 4.42Å; H752-L776 HydrophobicContact CB-CD2 3.93Å; H752-L776 WeakPolarHBondContact ND1-CD2 3.04Å; L756-L776 HydrophobicContact CD1-CD1 4.11Å; F770-L776 HydrophobicContact CD1-CD1 3.7Å; F770-L776 HydrophobicContact CE1-CD1 3.85Å; Q771-L776 HydrophobicContact CG-CB 4.34Å; Q771-L776 HydrophobicContact CG-CD1 4.4Å; Q771-L776 PolarHBondContact O-N 2.99Å; F774-L776 VanDerWaalsContact C-N 3.28Å; F774-L776 HydrophobicContact CB-CD2 3.99Å; F774-L776 HydrophobicContact CB-CG 3.97Å; F774-L776 PolarHBondContact O-N 3.38Å | ||
| 777 | D | 81.7 | Confident | 86.8 | Confident | 75 Ų | 75 | 48 Ų | 48 | 40% | 0.401 | 24% | 0.239 | S | C | . | . | trans | -58.6 | 135 | 174.2 | -179.3 | 14.4 | 0 | 0 | 0 | 111.8 | D779 L780 A781 N811 | D777-D779 VanDerWaalsContact C-N 3.31Å; D777-D779 PolarHBondContact O-N 2.97Å; D777-D779 PolarHBondContact OD1-N 3.42Å; D777-L780 HydrophobicContact CB-CB 4.15Å; D777-L780 PolarHBondContact O-N 3.02Å; D777-A781 PolarHBondContact O-N 3.11Å; D777-A781 VanDerWaalsContact O-N 3.17Å; D777-N811 PolarHBondContact OD2-ND2 3.16Å | ||
| 778 | K | 81.2 | Confident | 87 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 61% | 0.609 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -63.8 | -36.1 | 174.5 | -72.7 | -175 | 173.4 | -172 | 0 | 111.6 | L780 A781 T782 | K778-L780 VanDerWaalsContact C-N 3.31Å; K778-L780 PolarHBondContact O-N 3.39Å; K778-A781 WeakPolarHBondContact O-CB 3.34Å; K778-A781 PolarHBondContact O-N 3.4Å; K778-T782 WeakPolarHBondContact O-CB 3.46Å; K778-T782 PolarHBondContact O-N 3.42Å; K778-T782 PolarHBondContact O-OG1 3.33Å |
| 779 | D | 81 | Confident | 87.3 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -37.4 | 179 | -82.9 | 18.6 | 0 | 0 | 0 | 110.9 | D777 S783 A809 K810 N811 | D777-D779 VanDerWaalsContact C-N 3.31Å; D777-D779 PolarHBondContact O-N 2.97Å; D777-D779 PolarHBondContact OD1-N 3.42Å; D779-S783 VanDerWaalsContact O-CB 3.25Å; D779-S783 WeakPolarHBondContact O-CB 3.46Å; D779-S783 PolarHBondContact O-N 3.45Å; D779-S783 PolarHBondContact O-OG 3.25Å; D779-A809 HydrophobicContact CB-CB 4.01Å; D779-A809 WeakPolarHBondContact OD2-CA 3.41Å; D779-K810 PolarHBondContact OD2-N 2.87Å; D779-N811 HydrophobicContact CB-CB 4.05Å; D779-N811 PolarHBondContact OD2-ND2 3.05Å |
| 780 | L | 84.1 | Confident | 87.4 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 173 | 178.5 | 62.3 | 0 | 0 | 0 | 111.3 | A753 D777 K778 S783 L784 | A753-L780 HydrophobicContact CB-CD1 4.27Å; D777-L780 HydrophobicContact CB-CB 4.15Å; D777-L780 PolarHBondContact O-N 3.02Å; K778-L780 VanDerWaalsContact C-N 3.31Å; K778-L780 PolarHBondContact O-N 3.39Å; L780-S783 PolarHBondContact O-N 2.93Å; L780-L784 HydrophobicContact CD1-CD1 3.82Å; L780-L784 HydrophobicContact CD1-CG 4.28Å; L780-L784 HydrophobicContact CG-CD1 3.87Å; L780-L784 WeakPolarHBondContact O-CB 3.46Å; L780-L784 WeakPolarHBondContact O-CD1 3.46Å; L780-L784 VanDerWaalsContact O-CG 3.28Å; L780-L784 WeakPolarHBondContact O-CG 3.29Å; L780-L784 PolarHBondContact O-N 3.01Å |
| 781 | A | 84.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L756 Q771 D777 K778 L784 R785 | L756-A781 HydrophobicContact CD2-CB 4.32Å; Q771-A781 VanDerWaalsContact CD-CB 3.47Å; Q771-A781 HydrophobicContact CG-CB 4.22Å; D777-A781 PolarHBondContact O-N 3.11Å; D777-A781 VanDerWaalsContact O-N 3.17Å; K778-A781 WeakPolarHBondContact O-CB 3.34Å; K778-A781 PolarHBondContact O-N 3.4Å; A781-L784 PolarHBondContact O-N 3.44Å; A781-R785 PolarHBondContact O-N 2.7Å |
| 782 | T | 86.4 | Confident | 87.2 | Confident | 26 Ų | 26 | 45.2 Ų | 45.2 | 16% | 0.16 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | -179.5 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | K778 L784 R785 C786 E801 | K778-T782 WeakPolarHBondContact O-CB 3.46Å; K778-T782 PolarHBondContact O-N 3.42Å; K778-T782 PolarHBondContact O-OG1 3.33Å; T782-L784 VanDerWaalsContact C-N 3.32Å; T782-L784 PolarHBondContact O-N 3.05Å; T782-R785 PolarHBondContact O-N 2.94Å; T782-C786 PolarHBondContact O-N 2.97Å; T782-C786 VanDerWaalsContact O-N 3.11Å; T782-E801 HydrophobicContact CG2-CG 4.43Å; T782-E801 WeakPolarHBondContact CG2-O 3.34Å |
| 783 | S | 87.4 | Confident | 87.1 | Confident | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 172.7 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | D779 L780 C786 F787 L812 | D779-S783 VanDerWaalsContact O-CB 3.25Å; D779-S783 WeakPolarHBondContact O-CB 3.46Å; D779-S783 PolarHBondContact O-N 3.45Å; D779-S783 PolarHBondContact O-OG 3.25Å; L780-S783 PolarHBondContact O-N 2.93Å; S783-C786 WeakPolarHBondContact O-CB 3.38Å; S783-C786 PolarHBondContact O-N 3.4Å; S783-F787 WeakPolarHBondContact O-CD2 3.28Å; S783-F787 PolarHBondContact O-N 3.03Å; S783-F787 VanDerWaalsContact O-N 3.11Å; S783-L812 VanDerWaalsContact OG-CD1 3.26Å; S783-L812 WeakPolarHBondContact OG-CD1 3.33Å |
| 784 | L | 89.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.9 | -40.6 | -179.8 | -74.2 | 164.8 | 0 | 0 | 0 | 112.4 | Y715 A753 L756 Y757 M760 L780 A781 T782 C786 F787 W788 | Y715-L784 HydrophobicContact CE1-CD2 3.57Å; Y715-L784 WeakPolarHBondContact OH-CD2 3.46Å; A753-L784 HydrophobicContact CB-CD1 3.86Å; A753-L784 HydrophobicContact CB-CD2 4.19Å; L756-L784 HydrophobicContact CB-CD1 4.17Å; L756-L784 HydrophobicContact CD2-CB 4.27Å; L756-L784 HydrophobicContact CD2-CD1 3.63Å; Y757-L784 HydrophobicContact CD2-CD2 4.39Å; M760-L784 HydrophobicContact CE-CB 3.91Å; L780-L784 HydrophobicContact CD1-CD1 3.82Å; L780-L784 HydrophobicContact CD1-CG 4.28Å; L780-L784 HydrophobicContact CG-CD1 3.87Å; L780-L784 WeakPolarHBondContact O-CB 3.46Å; L780-L784 WeakPolarHBondContact O-CD1 3.46Å; L780-L784 VanDerWaalsContact O-CG 3.28Å; L780-L784 WeakPolarHBondContact O-CG 3.29Å; L780-L784 PolarHBondContact O-N 3.01Å; A781-L784 PolarHBondContact O-N 3.44Å; T782-L784 VanDerWaalsContact C-N 3.32Å; T782-L784 PolarHBondContact O-N 3.05Å; L784-C786 VanDerWaalsContact C-N 3.34Å; L784-C786 PolarHBondContact O-N 3.26Å; L784-F787 PolarHBondContact O-N 2.97Å; L784-W788 WeakPolarHBondContact O-CB 3.39Å; L784-W788 PolarHBondContact O-N 3.19Å |
| 785 | R | 89.7 | Confident | 86.9 | Confident | 63 Ų | 63 | 41.2 Ų | 41.2 | 24% | 0.238 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.2 | -45.3 | 172.9 | -71.1 | -178.5 | -167.4 | 108 | 6.8 | 111.8 | M760 A781 T782 F787 W788 Y789 E801 | M760-R785 HydrophobicContact SD-CB 4.37Å; M760-R785 HydrophobicContact SD-CG 3.73Å; A781-R785 PolarHBondContact O-N 2.7Å; T782-R785 PolarHBondContact O-N 2.94Å; R785-F787 PolarHBondContact O-N 3.16Å; R785-W788 PolarHBondContact O-N 3.28Å; R785-Y789 HydrophobicContact CB-CE2 4.49Å; R785-Y789 WeakPolarHBondContact O-CD2 3.47Å; R785-Y789 PolarHBondContact O-N 2.86Å; R785-E801 HydrophobicContact CB-CG 3.99Å |
| 786 | C | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.2 | -52.7 | 174.1 | 166.3 | 0 | 0 | 0 | 0 | 111.7 | T782 S783 L784 W788 Y789 L790 G798 L802 | T782-C786 PolarHBondContact O-N 2.97Å; T782-C786 VanDerWaalsContact O-N 3.11Å; S783-C786 WeakPolarHBondContact O-CB 3.38Å; S783-C786 PolarHBondContact O-N 3.4Å; L784-C786 VanDerWaalsContact C-N 3.34Å; L784-C786 PolarHBondContact O-N 3.26Å; C786-W788 VanDerWaalsContact C-N 3.32Å; C786-W788 PolarHBondContact O-N 3.13Å; C786-Y789 PolarHBondContact O-N 3.38Å; C786-L790 VanDerWaalsContact O-CG 3.26Å; C786-L790 WeakPolarHBondContact O-CG 3.38Å; C786-L790 PolarHBondContact O-N 3.47Å; C786-L790 VanDerWaalsContact O-N 3.09Å; C786-G798 VanDerWaalsContact CB-O 3.29Å; C786-G798 WeakPolarHBondContact CB-O 3.17Å; C786-G798 PolarHBondContact SG-O 3.17Å; C786-L802 HydrophobicContact CB-CD1 4.27Å; C786-L802 HydrophobicContact CB-CD2 4.25Å; C786-L802 HydrophobicContact CB-CG 3.83Å; C786-L802 WeakPolarHBondContact SG-CD1 3.07Å |
| 787 | F | 91.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.2 | -30.5 | -179.8 | -75.3 | -63.4 | 0 | 0 | 0 | 113.9 | Y715 S783 L784 R785 L790 D791 L812 Q816 L820 | Y715-F787 HydrophobicContact CD1-CB 3.74Å; Y715-F787 HydrophobicContact CD1-CG 4.29Å; Y715-F787 HydrophobicContact CD2-CB 3.61Å; Y715-F787 AromaticContact CD2-CD1 3.42Å; Y715-F787 HydrophobicContact CD2-CD1 3.42Å; Y715-F787 VanDerWaalsContact CD2-CD1 3.42Å; Y715-F787 AromaticContact CD2-CD2 3.61Å; Y715-F787 HydrophobicContact CD2-CD2 3.61Å; Y715-F787 AromaticContact CD2-CE1 4Å; Y715-F787 HydrophobicContact CD2-CE1 4Å; Y715-F787 HydrophobicContact CD2-CE2 4.17Å; Y715-F787 AromaticContact CD2-CG 3.23Å; Y715-F787 HydrophobicContact CD2-CG 3.23Å; Y715-F787 HydrophobicContact CD2-CZ 4.36Å; Y715-F787 HydrophobicContact CE1-CB 4.19Å; Y715-F787 HydrophobicContact CE2-CB 4.04Å; Y715-F787 HydrophobicContact CE2-CD1 4.09Å; Y715-F787 AromaticContact CE2-CD2 3.39Å; Y715-F787 HydrophobicContact CE2-CD2 3.39Å; Y715-F787 HydrophobicContact CE2-CE1 4.48Å; Y715-F787 AromaticContact CE2-CE2 3.86Å; Y715-F787 HydrophobicContact CE2-CE2 3.86Å; Y715-F787 AromaticContact CE2-CG 3.55Å; Y715-F787 HydrophobicContact CE2-CG 3.55Å; Y715-F787 HydrophobicContact CE2-CZ 4.4Å; Y715-F787 HydrophobicContact CG-CB 3.42Å; Y715-F787 VanDerWaalsContact CG-CB 3.42Å; Y715-F787 AromaticContact CG-CD1 3.92Å; Y715-F787 HydrophobicContact CG-CD1 3.92Å; Y715-F787 HydrophobicContact CG-CD2 4.32Å; Y715-F787 AromaticContact CG-CG 3.63Å; Y715-F787 HydrophobicContact CG-CG 3.63Å; Y715-F787 AromaticContact CZ-CD2 3.98Å; S783-F787 WeakPolarHBondContact O-CD2 3.28Å; S783-F787 PolarHBondContact O-N 3.03Å; S783-F787 VanDerWaalsContact O-N 3.11Å; L784-F787 PolarHBondContact O-N 2.97Å; R785-F787 PolarHBondContact O-N 3.16Å; F787-L790 HydrophobicContact CD1-CD1 4.01Å; F787-L790 HydrophobicContact CE1-CD1 4.33Å; F787-L790 PolarHBondContact O-N 3.44Å; F787-D791 WeakPolarHBondContact O-CB 3.14Å; F787-D791 PolarHBondContact O-N 3.26Å; F787-L812 HydrophobicContact CE2-CD2 4.04Å; F787-L812 HydrophobicContact CZ-CD2 4.07Å; F787-Q816 HydrophobicContact CE2-CB 3.9Å; F787-Q816 HydrophobicContact CE2-CG 4.36Å; F787-Q816 HydrophobicContact CZ-CB 3.73Å; F787-Q816 WeakPolarHBondContact CZ-O 3.38Å; F787-L820 HydrophobicContact CE1-CB 3.95Å; F787-L820 HydrophobicContact CZ-CB 4.07Å |
| 788 | W | 92.4 | Very high | 87 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -47.5 | 173.5 | -176.5 | 88 | 0 | 0 | 0 | 111.9 | Y757 M760 D761 Q764 L784 R785 C786 L790 D791 H792 | Y757-W788 HydrophobicContact CD2-CB 4.49Å; Y757-W788 HydrophobicContact CE2-CB 3.88Å; Y757-W788 AromaticContact CE2-CD1 3.96Å; Y757-W788 HydrophobicContact CE2-CG 4.36Å; Y757-W788 AromaticContact CZ-CD1 3.71Å; M760-W788 HydrophobicContact CB-CD2 4.27Å; M760-W788 HydrophobicContact CB-CG 4.02Å; M760-W788 HydrophobicContact CE-CB 3.64Å; M760-W788 HydrophobicContact CE-CG 3.95Å; M760-W788 HydrophobicContact SD-CB 3.99Å; M760-W788 HydrophobicContact SD-CG 4.09Å; D761-W788 PolarHBondContact OD1-NE1 3.34Å; Q764-W788 VanDerWaalsContact NE2-CZ3 3.3Å; L784-W788 WeakPolarHBondContact O-CB 3.39Å; L784-W788 PolarHBondContact O-N 3.19Å; R785-W788 PolarHBondContact O-N 3.28Å; C786-W788 VanDerWaalsContact C-N 3.32Å; C786-W788 PolarHBondContact O-N 3.13Å; W788-L790 VanDerWaalsContact C-N 3.31Å; W788-L790 PolarHBondContact O-N 3.28Å; W788-D791 PolarHBondContact O-N 3.42Å; W788-H792 AromaticContact CD1-CE1 3.87Å; W788-H792 AromaticContact CD2-ND1 3.75Å; W788-H792 AromaticContact CE2-CE1 3.41Å; W788-H792 VanDerWaalsContact CE2-CE1 3.41Å; W788-H792 AromaticContact CE2-ND1 3.57Å; W788-H792 AromaticContact CZ2-CE1 3.69Å; W788-H792 AromaticContact CZ2-ND1 3.86Å; W788-H792 AromaticContact NE1-CE1 3.32Å; W788-H792 PolarHBondContact NE1-CE1 2.68Å; W788-H792 VanDerWaalsContact NE1-CE1 3.32Å; W788-H792 AromaticContact NE1-ND1 3.83Å; W788-H792 PolarHBondContact O-N 2.91Å; W788-H792 VanDerWaalsContact O-N 3.13Å; W788-H792 PolarHBondContact O-ND1 3.35Å |
| 789 | Y | 90.2 | Very high | 87.3 | Confident | 48 Ų | 48 | 34.8 Ų | 34.8 | 19% | 0.188 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 174 | -76 | -61.7 | 0 | 0 | 0 | 111.7 | R785 C786 D791 H792 G793 D794 R797 | R785-Y789 HydrophobicContact CB-CE2 4.49Å; R785-Y789 WeakPolarHBondContact O-CD2 3.47Å; R785-Y789 PolarHBondContact O-N 2.86Å; C786-Y789 PolarHBondContact O-N 3.38Å; Y789-D791 PolarHBondContact O-N 3.43Å; Y789-H792 CarbonylContact O-C 3.55Å; Y789-H792 WeakPolarHBondContact O-CA 3.33Å; Y789-H792 PolarHBondContact O-N 3.3Å; Y789-G793 PolarHBondContact O-N 2.92Å; Y789-D794 HydrophobicContact CD1-CB 4.09Å; Y789-D794 PolarHBondContact O-N 3.39Å; Y789-R797 HydrophobicContact CD1-CB 4.27Å; Y789-R797 HydrophobicContact CD2-CB 4.41Å; Y789-R797 HydrophobicContact CE1-CB 4.35Å; Y789-R797 HydrophobicContact CE2-CB 4.49Å; Y789-R797 HydrophobicContact CG-CB 4.32Å |
| 790 | L | 89.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 175.7 | -66.8 | 166.9 | 0 | 0 | 0 | 113 | C786 F787 W788 H792 G793 Y795 L820 K823 L824 | C786-L790 VanDerWaalsContact O-CG 3.26Å; C786-L790 WeakPolarHBondContact O-CG 3.38Å; C786-L790 PolarHBondContact O-N 3.47Å; C786-L790 VanDerWaalsContact O-N 3.09Å; F787-L790 HydrophobicContact CD1-CD1 4.01Å; F787-L790 HydrophobicContact CE1-CD1 4.33Å; F787-L790 PolarHBondContact O-N 3.44Å; W788-L790 VanDerWaalsContact C-N 3.31Å; W788-L790 PolarHBondContact O-N 3.28Å; L790-H792 PolarHBondContact O-N 2.97Å; L790-G793 PolarHBondContact O-N 3.4Å; L790-Y795 HydrophobicContact CD2-CD1 3.83Å; L790-L820 HydrophobicContact CD1-CD1 3.4Å; L790-K823 HydrophobicContact CB-CD 4.27Å; L790-K823 WeakPolarHBondContact O-CE 3.43Å; L790-K823 PolarHBondContact O-NZ 2.67Å; L790-K823 VanDerWaalsContact O-NZ 3.14Å; L790-L824 HydrophobicContact CD2-CD2 3.82Å; L790-L824 HydrophobicContact CD2-CG 4.37Å |
| 791 | D | 89.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.1 | -8.5 | 174.1 | -81.6 | 11.4 | 0 | 0 | 0 | 113.5 | K707 L714 Y715 I716 Y757 F787 W788 Y789 K823 | K707-D791 WeakPolarHBondContact CD-O 3.23Å; K707-D791 WeakPolarHBondContact CE-O 3.21Å; K707-D791 PolarHBondContact NZ-O 2.89Å; L714-D791 WeakPolarHBondContact CA-OD1 3.45Å; L714-D791 WeakPolarHBondContact CB-OD2 3.1Å; L714-D791 HydrophobicContact CD2-CB 4.33Å; Y715-D791 VanDerWaalsContact N-CG 3.27Å; Y715-D791 PolarHBondContact N-OD1 2.91Å; Y715-D791 PolarHBondContact N-OD2 3.44Å; I716-D791 PolarHBondContact N-OD2 3.31Å; Y757-D791 WeakPolarHBondContact OH-CB 3.4Å; Y757-D791 PolarHBondContact OH-OD2 3.26Å; F787-D791 WeakPolarHBondContact O-CB 3.14Å; F787-D791 PolarHBondContact O-N 3.26Å; W788-D791 PolarHBondContact O-N 3.42Å; Y789-D791 PolarHBondContact O-N 3.43Å; D791-K823 IonicContact OD1-NZ 3.71Å; D791-K823 PolarHBondContact OD1-NZ 3.28Å |
| 792 | H | 87.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 37.6 Ų | 37.6 | 29% | 0.292 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -104.8 | -6.1 | 169.3 | -68.5 | 82.9 | 0 | 0 | 0 | 114 | E703 Y704 K707 D761 W788 Y789 L790 | E703-H792 IonicContact OE1-CD2 3.02Å; E703-H792 PolarHBondContact OE1-CD2 3.46Å; E703-H792 IonicContact OE1-NE2 3.99Å; Y704-H792 PolarHBondContact OH-CE1 3.43Å; Y704-H792 VanDerWaalsContact OH-CE1 3.29Å; K707-H792 PolarHBondContact NZ-CD2 2.97Å; K707-H792 PolarHBondContact NZ-NE2 3.11Å; K707-H792 VanDerWaalsContact NZ-NE2 3.15Å; D761-H792 IonicContact OD1-CE1 2.65Å; D761-H792 PolarHBondContact OD1-CE1 3.48Å; D761-H792 IonicContact OD1-NE2 2.79Å; W788-H792 AromaticContact CD1-CE1 3.87Å; W788-H792 AromaticContact CD2-ND1 3.75Å; W788-H792 AromaticContact CE2-CE1 3.41Å; W788-H792 VanDerWaalsContact CE2-CE1 3.41Å; W788-H792 AromaticContact CE2-ND1 3.57Å; W788-H792 AromaticContact CZ2-CE1 3.69Å; W788-H792 AromaticContact CZ2-ND1 3.86Å; W788-H792 AromaticContact NE1-CE1 3.32Å; W788-H792 PolarHBondContact NE1-CE1 2.68Å; W788-H792 VanDerWaalsContact NE1-CE1 3.32Å; W788-H792 AromaticContact NE1-ND1 3.83Å; W788-H792 PolarHBondContact O-N 2.91Å; W788-H792 VanDerWaalsContact O-N 3.13Å; W788-H792 PolarHBondContact O-ND1 3.35Å; Y789-H792 CarbonylContact O-C 3.55Å; Y789-H792 WeakPolarHBondContact O-CA 3.33Å; Y789-H792 PolarHBondContact O-N 3.3Å; L790-H792 PolarHBondContact O-N 2.97Å |
| 793 | G | 84.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 38 Ų | 38 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 7.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y789 L790 Y795 | Y789-G793 PolarHBondContact O-N 2.92Å; L790-G793 PolarHBondContact O-N 3.4Å; G793-Y795 VanDerWaalsContact O-CD2 3.3Å; G793-Y795 WeakPolarHBondContact O-CD2 3.31Å; G793-Y795 WeakPolarHBondContact O-CE2 3.46Å; G793-Y795 PolarHBondContact O-N 3.13Å |
| 794 | D | 87.5 | Confident | 87 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | trans | -89.6 | 81.7 | 175.5 | -169.3 | -22.6 | 0 | 0 | 0 | 110.3 | Y789 E796 R797 G798 | Y789-D794 HydrophobicContact CD1-CB 4.09Å; Y789-D794 PolarHBondContact O-N 3.39Å; D794-E796 VanDerWaalsContact C-N 3.34Å; D794-E796 PolarHBondContact O-N 2.98Å; D794-R797 VanDerWaalsContact OD1-CB 3.3Å; D794-R797 WeakPolarHBondContact OD1-CB 3.34Å; D794-R797 WeakPolarHBondContact OD1-CG 3.26Å; D794-R797 PolarHBondContact OD1-N 3.07Å; D794-R797 WeakPolarHBondContact OD2-CD 3.28Å; D794-R797 VanDerWaalsContact OD2-CG 3.27Å; D794-R797 WeakPolarHBondContact OD2-CG 3.42Å; D794-R797 IonicContact OD2-CZ 3.43Å; D794-R797 IonicContact OD2-NE 3.16Å; D794-R797 IonicContact OD2-NH1 3.88Å; D794-R797 PolarHBondContact OD2-NH1 2.92Å; D794-G798 PolarHBondContact O-N 3.43Å | ||
| 795 | Y | 86.4 | Confident | 86 | Confident | 47 Ų | 47 | 50 Ų | 50 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.7 | -30.6 | -174.7 | -46.2 | -64.8 | 0 | 0 | 0 | 113.2 | L790 G793 V799 L824 E827 A829 | L790-Y795 HydrophobicContact CD2-CD1 3.83Å; G793-Y795 VanDerWaalsContact O-CD2 3.3Å; G793-Y795 WeakPolarHBondContact O-CD2 3.31Å; G793-Y795 WeakPolarHBondContact O-CE2 3.46Å; G793-Y795 PolarHBondContact O-N 3.13Å; Y795-V799 WeakPolarHBondContact O-CG2 3.47Å; Y795-V799 PolarHBondContact O-N 3.34Å; Y795-L824 HydrophobicContact CD1-CD2 4.39Å; Y795-L824 HydrophobicContact CG-CD2 4.5Å; Y795-E827 HydrophobicContact CD1-CB 4.41Å; Y795-E827 HydrophobicContact CE1-CB 3.72Å; Y795-E827 HydrophobicContact CE1-CG 3.69Å; Y795-E827 HydrophobicContact CE2-CB 3.91Å; Y795-E827 VanDerWaalsContact CZ-CB 3.45Å; Y795-E827 VanDerWaalsContact OH-CG 3.31Å; Y795-E827 WeakPolarHBondContact OH-CG 3.34Å; Y795-E827 PolarHBondContact OH-OE1 3.38Å; Y795-A829 HydrophobicContact CD2-CB 4.41Å; Y795-A829 HydrophobicContact CG-CB 4.1Å |
| 796 | E | 84.4 | Confident | 84.6 | Confident | 135 Ų | 135 | 52.9 Ų | 52.9 | 63% | 0.631 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -78.9 | -52.5 | -177.6 | -60 | -138.7 | 135.9 | 0 | 0 | 110.9 | D794 G798 V799 E800 | D794-E796 VanDerWaalsContact C-N 3.34Å; D794-E796 PolarHBondContact O-N 2.98Å; E796-G798 VanDerWaalsContact C-N 3.26Å; E796-G798 PolarHBondContact O-N 3.18Å; E796-V799 PolarHBondContact O-N 3.31Å; E796-V799 VanDerWaalsContact O-N 3.11Å; E796-E800 WeakPolarHBondContact O-CG 3.29Å; E796-E800 PolarHBondContact O-N 3.33Å |
| 797 | R | 84.9 | Confident | 83.2 | Confident | 150 Ų | 150 | 55.6 Ų | 55.6 | 57% | 0.566 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.3 | -34.8 | 176.7 | -62.7 | -167.7 | -174.3 | 110.1 | -5.3 | 112.1 | Y789 D794 V799 E800 E801 | Y789-R797 HydrophobicContact CD1-CB 4.27Å; Y789-R797 HydrophobicContact CD2-CB 4.41Å; Y789-R797 HydrophobicContact CE1-CB 4.35Å; Y789-R797 HydrophobicContact CE2-CB 4.49Å; Y789-R797 HydrophobicContact CG-CB 4.32Å; D794-R797 VanDerWaalsContact OD1-CB 3.3Å; D794-R797 WeakPolarHBondContact OD1-CB 3.34Å; D794-R797 WeakPolarHBondContact OD1-CG 3.26Å; D794-R797 PolarHBondContact OD1-N 3.07Å; D794-R797 WeakPolarHBondContact OD2-CD 3.28Å; D794-R797 VanDerWaalsContact OD2-CG 3.27Å; D794-R797 WeakPolarHBondContact OD2-CG 3.42Å; D794-R797 IonicContact OD2-CZ 3.43Å; D794-R797 IonicContact OD2-NE 3.16Å; D794-R797 IonicContact OD2-NH1 3.88Å; D794-R797 PolarHBondContact OD2-NH1 2.92Å; R797-V799 VanDerWaalsContact C-N 3.34Å; R797-V799 PolarHBondContact O-N 3.47Å; R797-E800 PolarHBondContact O-N 3.02Å; R797-E801 PolarHBondContact O-N 3.39Å |
| 798 | G | 85.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | C786 D794 E796 | C786-G798 VanDerWaalsContact CB-O 3.29Å; C786-G798 WeakPolarHBondContact CB-O 3.17Å; C786-G798 PolarHBondContact SG-O 3.17Å; D794-G798 PolarHBondContact O-N 3.43Å; E796-G798 VanDerWaalsContact C-N 3.26Å; E796-G798 PolarHBondContact O-N 3.18Å |
| 799 | V | 87.6 | Confident | 80.2 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -78 | -29.5 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | Y795 E796 R797 Y803 L824 A832 K835 V836 | Y795-V799 WeakPolarHBondContact O-CG2 3.47Å; Y795-V799 PolarHBondContact O-N 3.34Å; E796-V799 PolarHBondContact O-N 3.31Å; E796-V799 VanDerWaalsContact O-N 3.11Å; R797-V799 VanDerWaalsContact C-N 3.34Å; R797-V799 PolarHBondContact O-N 3.47Å; V799-Y803 HydrophobicContact CG1-CD2 4.19Å; V799-Y803 HydrophobicContact CG1-CE2 4.05Å; V799-Y803 WeakPolarHBondContact O-CD2 3.47Å; V799-L824 HydrophobicContact CG2-CD1 3.77Å; V799-L824 HydrophobicContact CG2-CD2 4.08Å; V799-A832 HydrophobicContact CG2-CB 4.18Å; V799-K835 HydrophobicContact CG1-CD 3.9Å; V799-K835 HydrophobicContact CG1-CG 4.32Å; V799-V836 HydrophobicContact CB-CG2 4.42Å; V799-V836 HydrophobicContact CG1-CG2 3.71Å; V799-V836 HydrophobicContact CG2-CG2 3.79Å |
| 800 | E | 86.8 | Confident | 79.1 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 172.9 | -71.1 | -164.8 | 142.6 | 0 | 0 | 112.8 | E796 R797 L802 Y803 K804 | E796-E800 WeakPolarHBondContact O-CG 3.29Å; E796-E800 PolarHBondContact O-N 3.33Å; R797-E800 PolarHBondContact O-N 3.02Å; E800-L802 VanDerWaalsContact C-N 3.25Å; E800-L802 PolarHBondContact O-N 3.48Å; E800-Y803 CarbonylContact O-C 3.57Å; E800-Y803 WeakPolarHBondContact O-CA 3.45Å; E800-Y803 PolarHBondContact O-N 3.11Å; E800-K804 PolarHBondContact O-N 3.27Å |
| 801 | E | 84.2 | Confident | 78.2 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -30.1 | -178.8 | -157 | 66.9 | 174.3 | 0 | 0 | 112.3 | T782 R785 R797 Y803 K804 | T782-E801 HydrophobicContact CG2-CG 4.43Å; T782-E801 WeakPolarHBondContact CG2-O 3.34Å; R785-E801 HydrophobicContact CB-CG 3.99Å; R797-E801 PolarHBondContact O-N 3.39Å; E801-Y803 PolarHBondContact O-N 2.96Å; E801-K804 IonicContact OE1-NZ 3.76Å; E801-K804 PolarHBondContact OE1-NZ 2.68Å; E801-K804 IonicContact OE2-NZ 2.59Å; E801-K804 PolarHBondContact OE2-NZ 2.9Å |
| 802 | L | 84 | Confident | 77.9 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.3 | 170.3 | -78.6 | 171.1 | 0 | 0 | 0 | 114.4 | C786 E800 L812 L820 P841 | C786-L802 HydrophobicContact CB-CD1 4.27Å; C786-L802 HydrophobicContact CB-CD2 4.25Å; C786-L802 HydrophobicContact CB-CG 3.83Å; C786-L802 WeakPolarHBondContact SG-CD1 3.07Å; E800-L802 VanDerWaalsContact C-N 3.25Å; E800-L802 PolarHBondContact O-N 3.48Å; L802-L812 HydrophobicContact CD2-CD1 4.03Å; L802-L820 HydrophobicContact CD1-CD2 3.73Å; L802-P841 HydrophobicContact CD1-CG 4.33Å; L802-P841 HydrophobicContact CD2-CB 4.37Å; L802-P841 HydrophobicContact CD2-CG 4.41Å |
| 803 | Y | 84.9 | Confident | 77.8 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | 15.6 | -177.3 | -63.9 | -66.2 | 0 | 0 | 0 | 113.1 | V799 E800 E801 E805 P808 K835 V836 R839 | V799-Y803 HydrophobicContact CG1-CD2 4.19Å; V799-Y803 HydrophobicContact CG1-CE2 4.05Å; V799-Y803 WeakPolarHBondContact O-CD2 3.47Å; E800-Y803 CarbonylContact O-C 3.57Å; E800-Y803 WeakPolarHBondContact O-CA 3.45Å; E800-Y803 PolarHBondContact O-N 3.11Å; E801-Y803 PolarHBondContact O-N 2.96Å; Y803-E805 VanDerWaalsContact C-N 3.32Å; Y803-E805 PolarHBondContact O-N 3Å; Y803-P808 HydrophobicContact CD1-CB 3.96Å; Y803-P808 HydrophobicContact CE1-CB 3.73Å; Y803-P808 HydrophobicContact CE1-CG 4.28Å; Y803-K835 HydrophobicContact CD2-CG 4.41Å; Y803-K835 HydrophobicContact CE2-CG 4.17Å; Y803-V836 HydrophobicContact CE2-CG2 4.46Å; Y803-V836 WeakPolarHBondContact OH-CA 3.07Å; Y803-V836 PolarHBondContact OH-O 2.9Å; Y803-R839 HydrophobicContact CE1-CB 3.79Å; Y803-R839 WeakPolarHBondContact CE1-O 3.47Å; Y803-R839 PolarHBondContact OH-O 3.03Å |
| 804 | K | 77.3 | Confident | 77.7 | Confident | 144 Ų | 144 | 67.2 Ų | 67.2 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -63.6 | -37.2 | 179 | -155.7 | -159.9 | -157.5 | 96.1 | 0 | 112.2 | E800 E801 | E800-K804 PolarHBondContact O-N 3.27Å; E801-K804 IonicContact OE1-NZ 3.76Å; E801-K804 PolarHBondContact OE1-NZ 2.68Å; E801-K804 IonicContact OE2-NZ 2.59Å; E801-K804 PolarHBondContact OE2-NZ 2.9Å |
| 805 | E | 68 | Low | 77.7 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -96.4 | 148 | 171.1 | -66.2 | -165.9 | -169.5 | 0 | 0 | 110.2 | Y803 A807 | Y803-E805 VanDerWaalsContact C-N 3.32Å; Y803-E805 PolarHBondContact O-N 3Å; E805-A807 CarbonylContact O-C 3.56Å; E805-A807 PolarHBondContact O-N 3.24Å |
| 806 | P | 60 | Low | 77.9 | Confident | 124 Ų | 124 | 65.7 Ų | 65.7 | 81% | 0.805 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -65.9 | -23.8 | -168.9 | 24.1 | -34.4 | 0 | 0 | 0 | 114.3 | R839 | P806-R839 PolarHBondContact O-NH2 2.9Å; P806-R839 VanDerWaalsContact O-NH2 3.08Å |
| 807 | A | 60.6 | Low | 78.1 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -97.6 | 126.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | E805 | E805-A807 CarbonylContact O-C 3.56Å; E805-A807 PolarHBondContact O-N 3.24Å |
| 808 | P | 61.3 | Low | 78.3 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 17% | 0.169 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 146.1 | 174 | 27.4 | -33.3 | 0 | 0 | 0 | 110.5 | Y803 K810 P841 | Y803-P808 HydrophobicContact CD1-CB 3.96Å; Y803-P808 HydrophobicContact CE1-CB 3.73Å; Y803-P808 HydrophobicContact CE1-CG 4.28Å; P808-K810 WeakPolarHBondContact O-CG 2.93Å; P808-K810 PolarHBondContact O-N 3.37Å; P808-P841 HydrophobicContact CB-CB 4.2Å |
| 809 | A | 60.4 | Low | 78.5 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 5% | 0.05 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 126.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | D779 P841 | D779-A809 HydrophobicContact CB-CB 4.01Å; D779-A809 WeakPolarHBondContact OD2-CA 3.41Å; A809-P841 CarbonylContact O-C 3.46Å; A809-P841 WeakPolarHBondContact O-CA 3.43Å; A809-P841 VanDerWaalsContact O-CB 3.22Å; A809-P841 WeakPolarHBondContact O-CB 3.36Å |
| 810 | K | 66 | Low | 78.6 | Confident | 156 Ų | 156 | 57.7 Ų | 57.7 | 68% | 0.678 | 29% | 0.291 | S | S | * | . | trans | -93.9 | -4.2 | -165.8 | -63.5 | -179.2 | -177.1 | 168.8 | 0 | 113.6 | D779 P808 P841 | D779-K810 PolarHBondContact OD2-N 2.87Å; P808-K810 WeakPolarHBondContact O-CG 2.93Å; P808-K810 PolarHBondContact O-N 3.37Å; K810-P841 CarbonylContact C-O 3.58Å | ||
| 811 | N | 71 | Confident | 78.7 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | trans | -104.1 | 10.8 | -158.4 | -63 | -12.9 | 0 | 0 | 0 | 114.5 | D777 D779 K813 | D777-N811 PolarHBondContact OD2-ND2 3.16Å; D779-N811 HydrophobicContact CB-CB 4.05Å; D779-N811 PolarHBondContact OD2-ND2 3.05Å; N811-K813 PolarHBondContact O-N 3.08Å | ||
| 812 | L | 82.8 | Confident | 79 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | trans | -66 | 127.1 | 175.3 | -84.5 | 75.3 | 0 | 0 | 0 | 110.6 | S783 F787 L802 Q816 L820 P841 P843 | S783-L812 VanDerWaalsContact OG-CD1 3.26Å; S783-L812 WeakPolarHBondContact OG-CD1 3.33Å; F787-L812 HydrophobicContact CE2-CD2 4.04Å; F787-L812 HydrophobicContact CZ-CD2 4.07Å; L802-L812 HydrophobicContact CD2-CD1 4.03Å; L812-Q816 HydrophobicContact CB-CB 4.35Å; L812-Q816 HydrophobicContact CD2-CB 4.3Å; L812-Q816 HydrophobicContact CG-CB 4.35Å; L812-L820 HydrophobicContact CD2-CD2 4.09Å; L812-P841 HydrophobicContact CD1-CB 4.19Å; L812-P841 HydrophobicContact CD1-CG 4.43Å; L812-P841 HydrophobicContact CD2-CG 4.2Å; L812-P841 PolarHBondContact N-O 3.44Å; L812-P843 WeakPolarHBondContact O-CD 3.3Å | ||
| 813 | K | 84.7 | Confident | 79.1 | Confident | 82 Ų | 82 | 54 Ų | 54 | 36% | 0.357 | 28% | 0.275 | S | S | . | . | trans | -69.6 | 150.3 | 171.8 | -60.6 | -177.9 | -179.9 | -177.5 | 0 | 109.3 | E747 H750 N811 W815 Q816 M817 | E747-K813 IonicContact OE2-NZ 3.87Å; E747-K813 PolarHBondContact OE2-NZ 3Å; E747-K813 VanDerWaalsContact OE2-NZ 3.15Å; H750-K813 PolarHBondContact NE2-NZ 2.67Å; N811-K813 PolarHBondContact O-N 3.08Å; K813-W815 PolarHBondContact O-N 3.41Å; K813-Q816 HydrophobicContact CB-CG 4.41Å; K813-Q816 WeakPolarHBondContact O-CA 3.49Å; K813-Q816 VanDerWaalsContact O-CB 3.29Å; K813-Q816 WeakPolarHBondContact O-CB 3.49Å; K813-Q816 PolarHBondContact O-N 2.93Å; K813-M817 PolarHBondContact O-N 2.99Å; K813-M817 VanDerWaalsContact O-N 3.11Å | ||
| 814 | S | 83.5 | Confident | 79.3 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.3 | -28.9 | -173.6 | -7.2 | 0 | 0 | 0 | 0 | 114.6 | M817 R818 | S814-M817 PolarHBondContact O-N 3.28Å; S814-R818 PolarHBondContact O-N 2.97Å |
| 815 | W | 87.5 | Confident | 79.8 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 15% | 0.148 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.8 | -30.8 | 174.6 | 71.7 | -96.5 | 0 | 0 | 0 | 113.4 | Y715 S718 R722 K813 L819 | Y715-W815 HydrophobicContact CD2-CH2 4.44Å; Y715-W815 HydrophobicContact CD2-CZ3 4.31Å; Y715-W815 AromaticContact CE2-CH2 3.82Å; Y715-W815 HydrophobicContact CE2-CH2 3.82Å; Y715-W815 HydrophobicContact CE2-CZ3 4.07Å; S718-W815 WeakPolarHBondContact OG-CZ3 3.46Å; R722-W815 VanDerWaalsContact CZ-CD1 3.44Å; R722-W815 VanDerWaalsContact NH2-CB 3.31Å; K813-W815 PolarHBondContact O-N 3.41Å; W815-L819 WeakPolarHBondContact O-CB 3.43Å; W815-L819 PolarHBondContact O-N 3.31Å |
| 816 | Q | 89.6 | Confident | 80.6 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.9 | -42 | 173.2 | -61.6 | 175.9 | -54.3 | 0 | 0 | 109.3 | Y715 F787 L812 K813 R818 L819 L820 | Y715-Q816 HydrophobicContact CE2-CG 4.34Å; Y715-Q816 PolarHBondContact OH-NE2 3.28Å; F787-Q816 HydrophobicContact CE2-CB 3.9Å; F787-Q816 HydrophobicContact CE2-CG 4.36Å; F787-Q816 HydrophobicContact CZ-CB 3.73Å; F787-Q816 WeakPolarHBondContact CZ-O 3.38Å; L812-Q816 HydrophobicContact CB-CB 4.35Å; L812-Q816 HydrophobicContact CD2-CB 4.3Å; L812-Q816 HydrophobicContact CG-CB 4.35Å; K813-Q816 HydrophobicContact CB-CG 4.41Å; K813-Q816 WeakPolarHBondContact O-CA 3.49Å; K813-Q816 VanDerWaalsContact O-CB 3.29Å; K813-Q816 WeakPolarHBondContact O-CB 3.49Å; K813-Q816 PolarHBondContact O-N 2.93Å; Q816-R818 VanDerWaalsContact C-N 3.33Å; Q816-R818 PolarHBondContact O-N 3.48Å; Q816-L819 PolarHBondContact O-N 3.35Å; Q816-L820 VanDerWaalsContact O-CB 3.25Å; Q816-L820 WeakPolarHBondContact O-CB 3.43Å; Q816-L820 PolarHBondContact O-N 3.15Å |
| 817 | M | 90 | Very high | 81.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | 173.4 | -168.2 | 70.9 | -97.5 | 0 | 0 | 111.8 | K813 S814 L820 I821 V836 P841 L844 | K813-M817 PolarHBondContact O-N 2.99Å; K813-M817 VanDerWaalsContact O-N 3.11Å; S814-M817 PolarHBondContact O-N 3.28Å; M817-L820 HydrophobicContact CE-CB 4.48Å; M817-L820 HydrophobicContact CE-CD2 3.79Å; M817-L820 HydrophobicContact CE-CG 4.33Å; M817-I821 HydrophobicContact CE-CD1 3.87Å; M817-I821 HydrophobicContact CE-CG1 4.02Å; M817-I821 PolarHBondContact O-N 3.06Å; M817-V836 HydrophobicContact CE-CG1 3.36Å; M817-P841 HydrophobicContact SD-CG 4.3Å; M817-L844 HydrophobicContact CG-CB 4.26Å; M817-L844 HydrophobicContact CG-CD1 4.22Å |
| 818 | R | 89.2 | Confident | 82.7 | Confident | 98 Ų | 98 | 42.8 Ų | 42.8 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.1 | -53.5 | 173.5 | -175.8 | 168.3 | -56.9 | 159.3 | 11.7 | 112.2 | S814 Q816 L820 I821 D822 L848 E872 | S814-R818 PolarHBondContact O-N 2.97Å; Q816-R818 VanDerWaalsContact C-N 3.33Å; Q816-R818 PolarHBondContact O-N 3.48Å; R818-L820 PolarHBondContact O-N 2.86Å; R818-I821 PolarHBondContact O-N 2.91Å; R818-D822 VanDerWaalsContact CG-OD2 3.25Å; R818-D822 WeakPolarHBondContact CG-OD2 3.43Å; R818-D822 WeakPolarHBondContact O-CB 3.42Å; R818-D822 PolarHBondContact O-N 3.25Å; R818-L848 HydrophobicContact CB-CD1 3.78Å; R818-L848 HydrophobicContact CG-CD1 3.96Å; R818-L848 HydrophobicContact CG-CD2 4.13Å; R818-E872 IonicContact CZ-OE1 3.59Å; R818-E872 IonicContact CZ-OE2 2.65Å; R818-E872 IonicContact NH2-OE1 2.65Å; R818-E872 PolarHBondContact NH2-OE1 3.27Å; R818-E872 IonicContact NH2-OE2 3.38Å; R818-E872 PolarHBondContact NH2-OE2 2.98Å |
| 819 | L | 89.1 | Confident | 83.8 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 11% | 0.105 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | -178.2 | -178.2 | 66.3 | 0 | 0 | 0 | 112.5 | I713 Y715 S718 W815 Q816 I821 D822 K823 | I713-L819 HydrophobicContact CB-CD1 4.41Å; I713-L819 HydrophobicContact CG2-CD1 3.61Å; Y715-L819 HydrophobicContact CD2-CD2 4.05Å; S718-L819 WeakPolarHBondContact OG-CD2 3.49Å; W815-L819 WeakPolarHBondContact O-CB 3.43Å; W815-L819 PolarHBondContact O-N 3.31Å; Q816-L819 PolarHBondContact O-N 3.35Å; L819-I821 PolarHBondContact O-N 3.21Å; L819-D822 PolarHBondContact O-N 3.49Å; L819-K823 WeakPolarHBondContact O-CB 3.48Å; L819-K823 PolarHBondContact O-N 3.01Å |
| 820 | L | 89.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.8 | -50.5 | 175.5 | 173.8 | 57.6 | 0 | 0 | 0 | 111.2 | F787 L790 L802 L812 Q816 M817 R818 L824 V836 | F787-L820 HydrophobicContact CE1-CB 3.95Å; F787-L820 HydrophobicContact CZ-CB 4.07Å; L790-L820 HydrophobicContact CD1-CD1 3.4Å; L802-L820 HydrophobicContact CD1-CD2 3.73Å; L812-L820 HydrophobicContact CD2-CD2 4.09Å; Q816-L820 VanDerWaalsContact O-CB 3.25Å; Q816-L820 WeakPolarHBondContact O-CB 3.43Å; Q816-L820 PolarHBondContact O-N 3.15Å; M817-L820 HydrophobicContact CE-CB 4.48Å; M817-L820 HydrophobicContact CE-CD2 3.79Å; M817-L820 HydrophobicContact CE-CG 4.33Å; R818-L820 PolarHBondContact O-N 2.86Å; L820-L824 HydrophobicContact CD1-CD1 3.76Å; L820-L824 HydrophobicContact CD1-CG 4.28Å; L820-L824 HydrophobicContact CG-CD1 4.21Å; L820-L824 WeakPolarHBondContact O-CB 3.38Å; L820-L824 VanDerWaalsContact O-CG 3.23Å; L820-L824 WeakPolarHBondContact O-CG 3.38Å; L820-L824 PolarHBondContact O-N 2.97Å; L820-L824 VanDerWaalsContact O-N 3.08Å; L820-V836 HydrophobicContact CD2-CG1 3.83Å; L820-V836 HydrophobicContact CD2-CG2 4.45Å; L820-V836 HydrophobicContact CG-CG1 4.29Å |
| 821 | I | 89.8 | Confident | 86 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -49 | 178.2 | -78.8 | 171.6 | 0 | 0 | 0 | 111.8 | M817 R818 L819 K823 L824 L825 V837 L844 L848 V852 | M817-I821 HydrophobicContact CE-CD1 3.87Å; M817-I821 HydrophobicContact CE-CG1 4.02Å; M817-I821 PolarHBondContact O-N 3.06Å; R818-I821 PolarHBondContact O-N 2.91Å; L819-I821 PolarHBondContact O-N 3.21Å; I821-K823 VanDerWaalsContact C-N 3.25Å; I821-K823 PolarHBondContact O-N 3.1Å; I821-L824 PolarHBondContact O-N 2.87Å; I821-L825 HydrophobicContact CG2-CD1 3.87Å; I821-L825 HydrophobicContact CG2-CG 4.37Å; I821-L825 WeakPolarHBondContact O-CB 3.49Å; I821-L825 VanDerWaalsContact O-CG 3.31Å; I821-L825 WeakPolarHBondContact O-CG 3.3Å; I821-L825 PolarHBondContact O-N 2.67Å; I821-V837 HydrophobicContact CD1-CG2 3.57Å; I821-V837 HydrophobicContact CG1-CG2 4.24Å; I821-L844 HydrophobicContact CD1-CD1 3.34Å; I821-L848 HydrophobicContact CD1-CB 4.25Å; I821-L848 HydrophobicContact CG2-CD2 4.02Å; I821-V852 HydrophobicContact CB-CG2 4.37Å; I821-V852 HydrophobicContact CD1-CG2 4.23Å; I821-V852 HydrophobicContact CG1-CG2 4.16Å; I821-V852 HydrophobicContact CG2-CG2 3.4Å |
| 822 | D | 89 | Confident | 86.7 | Confident | 48 Ų | 48 | 41.3 Ų | 41.3 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.8 | -35 | -176.6 | -76 | -33.9 | 0 | 0 | 0 | 111.7 | R818 L819 A826 K851 | R818-D822 VanDerWaalsContact CG-OD2 3.25Å; R818-D822 WeakPolarHBondContact CG-OD2 3.43Å; R818-D822 WeakPolarHBondContact O-CB 3.42Å; R818-D822 PolarHBondContact O-N 3.25Å; L819-D822 PolarHBondContact O-N 3.49Å; D822-A826 VanDerWaalsContact O-CB 3.28Å; D822-A826 WeakPolarHBondContact O-CB 3.43Å; D822-A826 PolarHBondContact O-N 2.8Å; D822-K851 IonicContact OD1-NZ 3.94Å; D822-K851 PolarHBondContact OD1-NZ 3.46Å |
| 823 | K | 87.3 | Confident | 87 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.8 | -45.5 | 176.3 | -171.4 | 157.2 | -175.8 | 164.3 | 0 | 112.9 | I713 L790 D791 L819 I821 L825 A826 E827 | I713-K823 PolarHBondContact O-NZ 3.31Å; L790-K823 HydrophobicContact CB-CD 4.27Å; L790-K823 WeakPolarHBondContact O-CE 3.43Å; L790-K823 PolarHBondContact O-NZ 2.67Å; L790-K823 VanDerWaalsContact O-NZ 3.14Å; D791-K823 IonicContact OD1-NZ 3.71Å; D791-K823 PolarHBondContact OD1-NZ 3.28Å; L819-K823 WeakPolarHBondContact O-CB 3.48Å; L819-K823 PolarHBondContact O-N 3.01Å; I821-K823 VanDerWaalsContact C-N 3.25Å; I821-K823 PolarHBondContact O-N 3.1Å; K823-L825 VanDerWaalsContact C-N 3.25Å; K823-L825 PolarHBondContact O-N 3.2Å; K823-A826 PolarHBondContact O-N 2.93Å; K823-E827 PolarHBondContact O-N 2.84Å; K823-E827 VanDerWaalsContact O-N 3.16Å |
| 824 | L | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -32.7 | 174.6 | -71.2 | 171.3 | 0 | 0 | 0 | 112.4 | L790 Y795 V799 L820 I821 A829 A832 A833 V836 | L790-L824 HydrophobicContact CD2-CD2 3.82Å; L790-L824 HydrophobicContact CD2-CG 4.37Å; Y795-L824 HydrophobicContact CD1-CD2 4.39Å; Y795-L824 HydrophobicContact CG-CD2 4.5Å; V799-L824 HydrophobicContact CG2-CD1 3.77Å; V799-L824 HydrophobicContact CG2-CD2 4.08Å; L820-L824 HydrophobicContact CD1-CD1 3.76Å; L820-L824 HydrophobicContact CD1-CG 4.28Å; L820-L824 HydrophobicContact CG-CD1 4.21Å; L820-L824 WeakPolarHBondContact O-CB 3.38Å; L820-L824 VanDerWaalsContact O-CG 3.23Å; L820-L824 WeakPolarHBondContact O-CG 3.38Å; L820-L824 PolarHBondContact O-N 2.97Å; L820-L824 VanDerWaalsContact O-N 3.08Å; I821-L824 PolarHBondContact O-N 2.87Å; L824-A829 HydrophobicContact CB-CB 4.4Å; L824-A829 HydrophobicContact CD2-CB 3.83Å; L824-A829 CarbonylContact O-C 3.53Å; L824-A829 WeakPolarHBondContact O-CA 3.15Å; L824-A829 WeakPolarHBondContact O-CB 3.41Å; L824-A829 PolarHBondContact O-N 3.2Å; L824-A832 HydrophobicContact CD2-CB 4.19Å; L824-A833 HydrophobicContact CB-CB 4.03Å; L824-A833 HydrophobicContact CD1-CB 4.47Å; L824-V836 HydrophobicContact CD1-CG2 4.03Å |
| 825 | L | 88 | Confident | 87.2 | Confident | 30 Ų | 30 | 42 Ų | 42 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.6 | -38.5 | 174.9 | -70.3 | 179.7 | 0 | 0 | 0 | 113 | I821 K823 G828 V830 A833 K851 V852 A855 | I821-L825 HydrophobicContact CG2-CD1 3.87Å; I821-L825 HydrophobicContact CG2-CG 4.37Å; I821-L825 WeakPolarHBondContact O-CB 3.49Å; I821-L825 VanDerWaalsContact O-CG 3.31Å; I821-L825 WeakPolarHBondContact O-CG 3.3Å; I821-L825 PolarHBondContact O-N 2.67Å; K823-L825 VanDerWaalsContact C-N 3.25Å; K823-L825 PolarHBondContact O-N 3.2Å; L825-G828 PolarHBondContact O-N 2.84Å; L825-V830 HydrophobicContact CD2-CG2 4.5Å; L825-A833 HydrophobicContact CD2-CB 4.07Å; L825-A833 HydrophobicContact CG-CB 4.45Å; L825-K851 HydrophobicContact CD1-CD 3.88Å; L825-K851 HydrophobicContact CD1-CG 3.81Å; L825-V852 HydrophobicContact CD1-CG2 3.91Å; L825-V852 HydrophobicContact CD2-CG2 4.35Å; L825-V852 HydrophobicContact CG-CG2 4.29Å; L825-A855 HydrophobicContact CD2-CB 3.63Å |
| 826 | A | 84.9 | Confident | 87.2 | Confident | 82 Ų | 82 | 40.1 Ų | 40.1 | 68% | 0.678 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65 | -37.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D822 K823 G828 | D822-A826 VanDerWaalsContact O-CB 3.28Å; D822-A826 WeakPolarHBondContact O-CB 3.43Å; D822-A826 PolarHBondContact O-N 2.8Å; K823-A826 PolarHBondContact O-N 2.93Å; A826-G828 VanDerWaalsContact C-N 3.34Å |
| 827 | E | 81 | Confident | 87 | Confident | 70 Ų | 70 | 39.7 Ų | 39.7 | 33% | 0.327 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 12.9 | -178.1 | -55.6 | -84.3 | -157.3 | 0 | 0 | 112.3 | K712 Y795 K823 A829 | K712-E827 VanDerWaalsContact CE-OE1 3.23Å; K712-E827 WeakPolarHBondContact CE-OE1 3.44Å; Y795-E827 HydrophobicContact CD1-CB 4.41Å; Y795-E827 HydrophobicContact CE1-CB 3.72Å; Y795-E827 HydrophobicContact CE1-CG 3.69Å; Y795-E827 HydrophobicContact CE2-CB 3.91Å; Y795-E827 VanDerWaalsContact CZ-CB 3.45Å; Y795-E827 VanDerWaalsContact OH-CG 3.31Å; Y795-E827 WeakPolarHBondContact OH-CG 3.34Å; Y795-E827 PolarHBondContact OH-OE1 3.38Å; K823-E827 PolarHBondContact O-N 2.84Å; K823-E827 VanDerWaalsContact O-N 3.16Å; E827-A829 VanDerWaalsContact C-N 3.32Å; E827-A829 PolarHBondContact O-N 3.39Å |
| 828 | G | 82.4 | Confident | 86.8 | Confident | 55 Ų | 55 | 43.8 Ų | 43.8 | 57% | 0.567 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 6.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | L825 A826 V830 | L825-G828 PolarHBondContact O-N 2.84Å; A826-G828 VanDerWaalsContact C-N 3.34Å; G828-V830 PolarHBondContact O-N 2.89Å |
| 829 | A | 85.9 | Confident | 86.6 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 16% | 0.157 | 25% | 0.25 | C | S | . | . | trans | -75.6 | 46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y795 L824 E827 K831 A832 A833 | Y795-A829 HydrophobicContact CD2-CB 4.41Å; Y795-A829 HydrophobicContact CG-CB 4.1Å; L824-A829 HydrophobicContact CB-CB 4.4Å; L824-A829 HydrophobicContact CD2-CB 3.83Å; L824-A829 CarbonylContact O-C 3.53Å; L824-A829 WeakPolarHBondContact O-CA 3.15Å; L824-A829 WeakPolarHBondContact O-CB 3.41Å; L824-A829 PolarHBondContact O-N 3.2Å; E827-A829 VanDerWaalsContact C-N 3.32Å; E827-A829 PolarHBondContact O-N 3.39Å; A829-K831 VanDerWaalsContact C-N 3.32Å; A829-K831 PolarHBondContact O-N 3.46Å; A829-A832 HydrophobicContact CB-CB 4.3Å; A829-A832 WeakPolarHBondContact O-CB 3.48Å; A829-A832 PolarHBondContact O-N 3.38Å; A829-A833 PolarHBondContact O-N 3.37Å | ||
| 830 | V | 85.9 | Confident | 86.3 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -34.6 | -167.5 | -176.6 | 0 | 0 | 0 | 0 | 113 | L825 G828 A833 K834 A855 N856 | L825-V830 HydrophobicContact CD2-CG2 4.5Å; G828-V830 PolarHBondContact O-N 2.89Å; V830-A833 PolarHBondContact O-N 3Å; V830-K834 PolarHBondContact O-N 3.25Å; V830-A855 HydrophobicContact CG1-CB 3.98Å; V830-A855 WeakPolarHBondContact CG1-O 3.47Å; V830-N856 HydrophobicContact CG1-CB 4.3Å; V830-N856 VanDerWaalsContact CG1-CG 3.47Å; V830-N856 VanDerWaalsContact CG1-ND2 3.26Å; V830-N856 WeakPolarHBondContact CG1-ND2 3.5Å; V830-N856 PolarHBondContact O-ND2 3.24Å; V830-N856 PolarHBondContact O-OD1 3.43Å |
| 831 | K | 85.4 | Confident | 85.9 | Confident | 180 Ų | 180 | 47.5 Ų | 47.5 | 78% | 0.783 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 173.4 | -64.1 | 175.4 | -174.5 | 167 | 0 | 111.9 | A829 K834 K835 | A829-K831 VanDerWaalsContact C-N 3.32Å; A829-K831 PolarHBondContact O-N 3.46Å; K831-K834 WeakPolarHBondContact O-CB 3.23Å; K831-K834 PolarHBondContact O-N 3.24Å; K831-K835 PolarHBondContact O-N 3.07Å |
| 832 | A | 85.5 | Confident | 85.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 7% | 0.074 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | V799 L824 A829 K834 K835 V836 | V799-A832 HydrophobicContact CG2-CB 4.18Å; L824-A832 HydrophobicContact CD2-CB 4.19Å; A829-A832 HydrophobicContact CB-CB 4.3Å; A829-A832 WeakPolarHBondContact O-CB 3.48Å; A829-A832 PolarHBondContact O-N 3.38Å; A832-K834 VanDerWaalsContact C-N 3.3Å; A832-K834 PolarHBondContact O-N 3.41Å; A832-K835 WeakPolarHBondContact O-CB 3.38Å; A832-K835 PolarHBondContact O-N 3.26Å; A832-V836 WeakPolarHBondContact O-CG2 3.45Å; A832-V836 PolarHBondContact O-N 3.07Å |
| 833 | A | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L824 L825 A829 V830 V836 V837 V852 | L824-A833 HydrophobicContact CB-CB 4.03Å; L824-A833 HydrophobicContact CD1-CB 4.47Å; L825-A833 HydrophobicContact CD2-CB 4.07Å; L825-A833 HydrophobicContact CG-CB 4.45Å; A829-A833 PolarHBondContact O-N 3.37Å; V830-A833 PolarHBondContact O-N 3Å; A833-V836 PolarHBondContact O-N 3.45Å; A833-V837 WeakPolarHBondContact O-CB 3.4Å; A833-V837 PolarHBondContact O-N 2.86Å; A833-V852 HydrophobicContact CB-CG1 3.88Å; A833-V852 HydrophobicContact CB-CG2 4.21Å |
| 834 | K | 88 | Confident | 85.1 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 174.6 | -157.8 | 177.7 | -174.5 | 169.5 | 0 | 112.8 | V830 K831 A832 V836 V837 S838 N856 N858 | V830-K834 PolarHBondContact O-N 3.25Å; K831-K834 WeakPolarHBondContact O-CB 3.23Å; K831-K834 PolarHBondContact O-N 3.24Å; A832-K834 VanDerWaalsContact C-N 3.3Å; A832-K834 PolarHBondContact O-N 3.41Å; K834-V836 VanDerWaalsContact C-N 3.33Å; K834-V837 PolarHBondContact O-N 2.63Å; K834-S838 WeakPolarHBondContact O-CB 3.36Å; K834-S838 PolarHBondContact O-N 3.27Å; K834-S838 PolarHBondContact O-OG 2.85Å; K834-N856 WeakPolarHBondContact CB-OD1 2.62Å; K834-N856 HydrophobicContact CD-CB 4.17Å; K834-N858 PolarHBondContact NZ-ND2 2.92Å |
| 835 | K | 86.2 | Confident | 85 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 37% | 0.37 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 174.1 | -178.1 | 179.2 | 174.1 | -173.4 | 0 | 110.4 | V799 Y803 K831 A832 S838 | V799-K835 HydrophobicContact CG1-CD 3.9Å; V799-K835 HydrophobicContact CG1-CG 4.32Å; Y803-K835 HydrophobicContact CD2-CG 4.41Å; Y803-K835 HydrophobicContact CE2-CG 4.17Å; K831-K835 PolarHBondContact O-N 3.07Å; A832-K835 WeakPolarHBondContact O-CB 3.38Å; A832-K835 PolarHBondContact O-N 3.26Å; K835-S838 PolarHBondContact O-N 3.5Å; K835-S838 PolarHBondContact O-OG 2.7Å; K835-S838 VanDerWaalsContact O-OG 3.06Å |
| 836 | V | 85.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | V799 Y803 M817 L820 L824 A832 A833 K834 S838 R839 P840 | V799-V836 HydrophobicContact CB-CG2 4.42Å; V799-V836 HydrophobicContact CG1-CG2 3.71Å; V799-V836 HydrophobicContact CG2-CG2 3.79Å; Y803-V836 HydrophobicContact CE2-CG2 4.46Å; Y803-V836 WeakPolarHBondContact OH-CA 3.07Å; Y803-V836 PolarHBondContact OH-O 2.9Å; M817-V836 HydrophobicContact CE-CG1 3.36Å; L820-V836 HydrophobicContact CD2-CG1 3.83Å; L820-V836 HydrophobicContact CD2-CG2 4.45Å; L820-V836 HydrophobicContact CG-CG1 4.29Å; L824-V836 HydrophobicContact CD1-CG2 4.03Å; A832-V836 WeakPolarHBondContact O-CG2 3.45Å; A832-V836 PolarHBondContact O-N 3.07Å; A833-V836 PolarHBondContact O-N 3.45Å; K834-V836 VanDerWaalsContact C-N 3.33Å; V836-S838 VanDerWaalsContact C-N 3.34Å; V836-S838 PolarHBondContact O-N 2.99Å; V836-R839 CarbonylContact O-C 3.58Å; V836-R839 PolarHBondContact O-N 3.25Å; V836-P840 VanDerWaalsContact O-CA 3.3Å; V836-P840 WeakPolarHBondContact O-CA 3.25Å |
| 837 | V | 86.9 | Confident | 84.9 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.1 | -29.3 | -178.4 | 161.6 | 0 | 0 | 0 | 0 | 113.5 | I821 A833 K834 L844 H849 V852 | I821-V837 HydrophobicContact CD1-CG2 3.57Å; I821-V837 HydrophobicContact CG1-CG2 4.24Å; A833-V837 WeakPolarHBondContact O-CB 3.4Å; A833-V837 PolarHBondContact O-N 2.86Å; K834-V837 PolarHBondContact O-N 2.63Å; V837-L844 HydrophobicContact CB-CD2 4.29Å; V837-L844 HydrophobicContact CG1-CD2 4.01Å; V837-L844 HydrophobicContact CG2-CD1 4.46Å; V837-L844 HydrophobicContact CG2-CD2 3.96Å; V837-H849 WeakPolarHBondContact CG1-CD2 3.14Å; V837-H849 VanDerWaalsContact CG1-NE2 3.32Å; V837-H849 WeakPolarHBondContact CG1-NE2 3.4Å; V837-V852 HydrophobicContact CB-CB 4.5Å; V837-V852 HydrophobicContact CB-CG1 4.09Å; V837-V852 HydrophobicContact CG2-CB 3.83Å; V837-V852 HydrophobicContact CG2-CG1 3.81Å; V837-V852 HydrophobicContact CG2-CG2 3.77Å |
| 838 | S | 85 | Confident | 85 | Confident | 85 Ų | 85 | 45.9 Ų | 45.9 | 59% | 0.594 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -75.3 | -20.8 | 178.4 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | K834 K835 V836 | K834-S838 WeakPolarHBondContact O-CB 3.36Å; K834-S838 PolarHBondContact O-N 3.27Å; K834-S838 PolarHBondContact O-OG 2.85Å; K835-S838 PolarHBondContact O-N 3.5Å; K835-S838 PolarHBondContact O-OG 2.7Å; K835-S838 VanDerWaalsContact O-OG 3.06Å; V836-S838 VanDerWaalsContact C-N 3.34Å; V836-S838 PolarHBondContact O-N 2.99Å |
| 839 | R | 84.3 | Confident | 85.3 | Confident | 135 Ų | 135 | 45.8 Ų | 45.8 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -139.2 | 64.7 | 177.5 | -64.5 | -176.4 | 69.1 | -169.9 | -3.5 | 110.3 | Y803 P806 V836 | Y803-R839 HydrophobicContact CE1-CB 3.79Å; Y803-R839 WeakPolarHBondContact CE1-O 3.47Å; Y803-R839 PolarHBondContact OH-O 3.03Å; P806-R839 PolarHBondContact O-NH2 2.9Å; P806-R839 VanDerWaalsContact O-NH2 3.08Å; V836-R839 CarbonylContact O-C 3.58Å; V836-R839 PolarHBondContact O-N 3.25Å |
| 840 | P | 83.6 | Confident | 85.5 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 38% | 0.383 | 24% | 0.241 | S | C | . | . | trans | -64.6 | 127.4 | -164 | 25.3 | -34.1 | 0 | 0 | 0 | 112.6 | V836 G842 L844 | V836-P840 VanDerWaalsContact O-CA 3.3Å; V836-P840 WeakPolarHBondContact O-CA 3.25Å; P840-G842 PolarHBondContact O-N 2.83Å; P840-L844 HydrophobicContact CB-CB 4.14Å; P840-L844 HydrophobicContact CB-CD2 4.31Å | ||
| 841 | P | 81.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.019 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -82.6 | 16.8 | 179.3 | 36.6 | -39.1 | 0 | 0 | 0 | 113.4 | L802 P808 A809 K810 L812 M817 | L802-P841 HydrophobicContact CD1-CG 4.33Å; L802-P841 HydrophobicContact CD2-CB 4.37Å; L802-P841 HydrophobicContact CD2-CG 4.41Å; P808-P841 HydrophobicContact CB-CB 4.2Å; A809-P841 CarbonylContact O-C 3.46Å; A809-P841 WeakPolarHBondContact O-CA 3.43Å; A809-P841 VanDerWaalsContact O-CB 3.22Å; A809-P841 WeakPolarHBondContact O-CB 3.36Å; K810-P841 CarbonylContact C-O 3.58Å; L812-P841 HydrophobicContact CD1-CB 4.19Å; L812-P841 HydrophobicContact CD1-CG 4.43Å; L812-P841 HydrophobicContact CD2-CG 4.2Å; L812-P841 PolarHBondContact N-O 3.44Å; M817-P841 HydrophobicContact SD-CG 4.3Å |
| 842 | G | 82.5 | Confident | 85.8 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -175.1 | -178.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P840 L844 | P840-G842 PolarHBondContact O-N 2.83Å; G842-L844 PolarHBondContact O-N 2.79Å |
| 843 | P | 82.8 | Confident | 85.9 | Confident | 76 Ų | 76 | 39.2 Ų | 39.2 | 49% | 0.494 | 21% | 0.21 | S | C | . | . | trans | -72.1 | 103.5 | 179.6 | 29.4 | -29.5 | 0 | 0 | 0 | 110 | L812 | L812-P843 WeakPolarHBondContact O-CD 3.3Š| ||
| 844 | L | 84.7 | Confident | 85.9 | Confident | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.188 | 21% | 0.214 | C | C | . | . | trans | -89.7 | 127.7 | 174.9 | 176.7 | 63.3 | 0 | 0 | 0 | 109.9 | M817 I821 V837 P840 G842 L848 H849 | M817-L844 HydrophobicContact CG-CB 4.26Å; M817-L844 HydrophobicContact CG-CD1 4.22Å; I821-L844 HydrophobicContact CD1-CD1 3.34Å; V837-L844 HydrophobicContact CB-CD2 4.29Å; V837-L844 HydrophobicContact CG1-CD2 4.01Å; V837-L844 HydrophobicContact CG2-CD1 4.46Å; V837-L844 HydrophobicContact CG2-CD2 3.96Å; P840-L844 HydrophobicContact CB-CB 4.14Å; P840-L844 HydrophobicContact CB-CD2 4.31Å; G842-L844 PolarHBondContact O-N 2.79Å; L844-L848 HydrophobicContact CD1-CB 3.73Å; L844-H849 HydrophobicContact CD2-CB 3.92Å; L844-H849 HydrophobicContact CG-CB 4.2Å | ||
| 845 | S | 85.8 | Confident | 85.7 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 16% | 0.161 | 22% | 0.216 | C | C | . | . | trans | -87.3 | 148 | 171.4 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | A847 L848 H849 E872 | S845-A847 PolarHBondContact O-N 3.05Å; S845-L848 WeakPolarHBondContact O-CB 3.49Å; S845-L848 PolarHBondContact O-N 2.87Å; S845-H849 PolarHBondContact O-N 3.28Å; S845-E872 WeakPolarHBondContact CB-OE1 3.32Å; S845-E872 PolarHBondContact OG-OE1 3.45Å | ||
| 846 | S | 84.4 | Confident | 85.7 | Confident | 29 Ų | 29 | 36 Ų | 36 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.9 | -30 | -175.6 | -56.4 | 0 | 0 | 0 | 0 | 113.1 | L848 H849 M850 D869 | S846-L848 PolarHBondContact O-N 3.28Å; S846-H849 PolarHBondContact O-N 3.11Å; S846-M850 VanDerWaalsContact O-CB 3.27Å; S846-M850 WeakPolarHBondContact O-CB 3.46Å; S846-M850 PolarHBondContact O-N 3.16Å; S846-D869 VanDerWaalsContact CB-CB 3.49Å; S846-D869 VanDerWaalsContact CB-OD2 3.22Å; S846-D869 WeakPolarHBondContact CB-OD2 3.43Å; S846-D869 WeakPolarHBondContact OG-CB 3.44Å; S846-D869 VanDerWaalsContact OG-CG 3.3Å; S846-D869 PolarHBondContact OG-OD2 2.55Å |
| 847 | A | 86 | Confident | 85.5 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -43.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S845 K851 D871 L877 | S845-A847 PolarHBondContact O-N 3.05Å; A847-K851 WeakPolarHBondContact O-CB 3.15Å; A847-K851 PolarHBondContact O-N 2.66Å; A847-K851 VanDerWaalsContact O-N 3.07Å; A847-D871 HydrophobicContact CB-CB 4.09Å; A847-L877 HydrophobicContact CB-CD2 3.83Å |
| 848 | L | 85.2 | Confident | 85.4 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.6 | -39 | 177.7 | -74 | 166.6 | 0 | 0 | 0 | 111.8 | R818 I821 L844 S845 S846 K851 V852 | R818-L848 HydrophobicContact CB-CD1 3.78Å; R818-L848 HydrophobicContact CG-CD1 3.96Å; R818-L848 HydrophobicContact CG-CD2 4.13Å; I821-L848 HydrophobicContact CD1-CB 4.25Å; I821-L848 HydrophobicContact CG2-CD2 4.02Å; L844-L848 HydrophobicContact CD1-CB 3.73Å; S845-L848 WeakPolarHBondContact O-CB 3.49Å; S845-L848 PolarHBondContact O-N 2.87Å; S846-L848 PolarHBondContact O-N 3.28Å; L848-K851 PolarHBondContact O-N 2.98Å; L848-V852 PolarHBondContact O-N 2.93Å |
| 849 | H | 88.5 | Confident | 85.4 | Confident | 53 Ų | 53 | 39.2 Ų | 39.2 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -51.7 | 174 | -162.4 | 151.2 | 0 | 0 | 0 | 110.3 | V837 L844 S845 S846 K851 V852 L853 I865 | V837-H849 WeakPolarHBondContact CG1-CD2 3.14Å; V837-H849 VanDerWaalsContact CG1-NE2 3.32Å; V837-H849 WeakPolarHBondContact CG1-NE2 3.4Å; L844-H849 HydrophobicContact CD2-CB 3.92Å; L844-H849 HydrophobicContact CG-CB 4.2Å; S845-H849 PolarHBondContact O-N 3.28Å; S846-H849 PolarHBondContact O-N 3.11Å; H849-K851 PolarHBondContact O-N 3.48Å; H849-V852 PolarHBondContact O-N 3.46Å; H849-L853 VanDerWaalsContact CD2-CD1 3.43Å; H849-L853 WeakPolarHBondContact CD2-CD1 3.4Å; H849-L853 WeakPolarHBondContact O-CG 3.32Å; H849-L853 PolarHBondContact O-N 3.06Å; H849-I865 HydrophobicContact CB-CD1 4.1Å; H849-I865 WeakPolarHBondContact CD2-CD1 3.42Å; H849-I865 VanDerWaalsContact CG-CD1 3.45Å |
| 850 | M | 89.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.034 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.2 | -45.6 | 175.5 | -175.2 | -166.7 | 71.8 | 0 | 0 | 111.7 | S846 V852 L853 L854 A862 A866 L877 R880 F881 | S846-M850 VanDerWaalsContact O-CB 3.27Å; S846-M850 WeakPolarHBondContact O-CB 3.46Å; S846-M850 PolarHBondContact O-N 3.16Å; M850-V852 VanDerWaalsContact C-N 3.31Å; M850-V852 PolarHBondContact O-N 3.13Å; M850-L853 PolarHBondContact O-N 3.45Å; M850-L854 HydrophobicContact CE-CD1 4.22Å; M850-L854 HydrophobicContact CG-CD1 3.85Å; M850-L854 HydrophobicContact CG-CG 4.27Å; M850-L854 WeakPolarHBondContact O-CB 3.36Å; M850-L854 VanDerWaalsContact O-CG 3.27Å; M850-L854 WeakPolarHBondContact O-CG 3.45Å; M850-L854 PolarHBondContact O-N 3.27Å; M850-L854 HydrophobicContact SD-CD1 4.34Å; M850-A862 HydrophobicContact CG-CB 4.31Å; M850-A866 HydrophobicContact SD-CB 3.7Å; M850-L877 HydrophobicContact CE-CD2 4Å; M850-L877 HydrophobicContact SD-CB 4.09Å; M850-L877 HydrophobicContact SD-CD2 4.36Å; M850-R880 HydrophobicContact CE-CB 4.18Å; M850-R880 HydrophobicContact CE-CG 4.21Å; M850-F881 HydrophobicContact SD-CB 3.92Å |
| 851 | K | 87.8 | Confident | 85.3 | Confident | 96 Ų | 96 | 38.2 Ų | 38.2 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.4 | -42.5 | 177.7 | -171.8 | -175.5 | 176.1 | -177.8 | 0 | 112.4 | D822 L825 A847 L848 H849 A855 | D822-K851 IonicContact OD1-NZ 3.94Å; D822-K851 PolarHBondContact OD1-NZ 3.46Å; L825-K851 HydrophobicContact CD1-CD 3.88Å; L825-K851 HydrophobicContact CD1-CG 3.81Å; A847-K851 WeakPolarHBondContact O-CB 3.15Å; A847-K851 PolarHBondContact O-N 2.66Å; A847-K851 VanDerWaalsContact O-N 3.07Å; L848-K851 PolarHBondContact O-N 2.98Å; H849-K851 PolarHBondContact O-N 3.48Å; K851-A855 PolarHBondContact O-N 3Å; K851-A855 VanDerWaalsContact O-N 3.15Å |
| 852 | V | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.3 | -39.8 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | I821 L825 A833 V837 L848 H849 M850 A855 N856 | I821-V852 HydrophobicContact CB-CG2 4.37Å; I821-V852 HydrophobicContact CD1-CG2 4.23Å; I821-V852 HydrophobicContact CG1-CG2 4.16Å; I821-V852 HydrophobicContact CG2-CG2 3.4Å; L825-V852 HydrophobicContact CD1-CG2 3.91Å; L825-V852 HydrophobicContact CD2-CG2 4.35Å; L825-V852 HydrophobicContact CG-CG2 4.29Å; A833-V852 HydrophobicContact CB-CG1 3.88Å; A833-V852 HydrophobicContact CB-CG2 4.21Å; V837-V852 HydrophobicContact CB-CB 4.5Å; V837-V852 HydrophobicContact CB-CG1 4.09Å; V837-V852 HydrophobicContact CG2-CB 3.83Å; V837-V852 HydrophobicContact CG2-CG1 3.81Å; V837-V852 HydrophobicContact CG2-CG2 3.77Å; L848-V852 PolarHBondContact O-N 2.93Å; H849-V852 PolarHBondContact O-N 3.46Å; M850-V852 VanDerWaalsContact C-N 3.31Å; M850-V852 PolarHBondContact O-N 3.13Å; V852-A855 PolarHBondContact O-N 3.33Å; V852-N856 WeakPolarHBondContact O-CB 3.24Å; V852-N856 PolarHBondContact O-N 3.45Å; V852-N856 PolarHBondContact O-ND2 3.14Å |
| 853 | L | 88.6 | Confident | 85.7 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 177.4 | -71.3 | 169.9 | 0 | 0 | 0 | 112 | H849 M850 N856 E857 N858 E861 A862 I865 | H849-L853 VanDerWaalsContact CD2-CD1 3.43Å; H849-L853 WeakPolarHBondContact CD2-CD1 3.4Å; H849-L853 WeakPolarHBondContact O-CG 3.32Å; H849-L853 PolarHBondContact O-N 3.06Å; M850-L853 PolarHBondContact O-N 3.45Å; L853-N856 CarbonylContact O-C 3.59Å; L853-N856 PolarHBondContact O-N 2.86Å; L853-E857 PolarHBondContact O-N 3.02Å; L853-N858 HydrophobicContact CB-CB 4.4Å; L853-N858 HydrophobicContact CD2-CB 3.98Å; L853-N858 PolarHBondContact O-N 3.01Å; L853-E861 HydrophobicContact CD1-CB 3.83Å; L853-E861 HydrophobicContact CD2-CB 4.23Å; L853-E861 WeakPolarHBondContact CD2-OE2 3.45Å; L853-A862 HydrophobicContact CB-CB 3.88Å; L853-I865 HydrophobicContact CD1-CD1 3.66Å |
| 854 | L | 87.7 | Confident | 85.8 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.2 | -71.7 | 174.2 | 0 | 0 | 0 | 111.6 | M850 N856 E857 A862 F881 H884 | M850-L854 HydrophobicContact CE-CD1 4.22Å; M850-L854 HydrophobicContact CG-CD1 3.85Å; M850-L854 HydrophobicContact CG-CG 4.27Å; M850-L854 WeakPolarHBondContact O-CB 3.36Å; M850-L854 VanDerWaalsContact O-CG 3.27Å; M850-L854 WeakPolarHBondContact O-CG 3.45Å; M850-L854 PolarHBondContact O-N 3.27Å; M850-L854 HydrophobicContact SD-CD1 4.34Å; L854-N856 VanDerWaalsContact C-N 3.26Å; L854-N856 PolarHBondContact O-N 3.05Å; L854-E857 PolarHBondContact O-N 3.38Å; L854-A862 HydrophobicContact CD2-CB 3.64Å; L854-A862 HydrophobicContact CG-CB 3.85Å; L854-F881 HydrophobicContact CD2-CD2 3.84Å; L854-F881 HydrophobicContact CD2-CE2 3.88Å; L854-H884 HydrophobicContact CD1-CB 4.28Å |
| 855 | A | 85.1 | Confident | 85.7 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -32.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L825 V830 K851 V852 E857 | L825-A855 HydrophobicContact CD2-CB 3.63Å; V830-A855 HydrophobicContact CG1-CB 3.98Å; V830-A855 WeakPolarHBondContact CG1-O 3.47Å; K851-A855 PolarHBondContact O-N 3Å; K851-A855 VanDerWaalsContact O-N 3.15Å; V852-A855 PolarHBondContact O-N 3.33Å; A855-E857 PolarHBondContact O-N 3.39Å |
| 856 | N | 84.9 | Confident | 85.7 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 11.1 | 173.8 | -83.8 | -87.7 | 0 | 0 | 0 | 114.2 | V830 K834 V852 L853 L854 N858 | V830-N856 HydrophobicContact CG1-CB 4.3Å; V830-N856 VanDerWaalsContact CG1-CG 3.47Å; V830-N856 VanDerWaalsContact CG1-ND2 3.26Å; V830-N856 WeakPolarHBondContact CG1-ND2 3.5Å; V830-N856 PolarHBondContact O-ND2 3.24Å; V830-N856 PolarHBondContact O-OD1 3.43Å; K834-N856 WeakPolarHBondContact CB-OD1 2.62Å; K834-N856 HydrophobicContact CD-CB 4.17Å; V852-N856 WeakPolarHBondContact O-CB 3.24Å; V852-N856 PolarHBondContact O-N 3.45Å; V852-N856 PolarHBondContact O-ND2 3.14Å; L853-N856 CarbonylContact O-C 3.59Å; L853-N856 PolarHBondContact O-N 2.86Å; L854-N856 VanDerWaalsContact C-N 3.26Å; L854-N856 PolarHBondContact O-N 3.05Å; N856-N858 PolarHBondContact O-N 3.19Å |
| 857 | E | 83.3 | Confident | 85.7 | Confident | 119 Ų | 119 | 40.5 Ų | 40.5 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 13.8 | -174.8 | -49.5 | -158.8 | 165.8 | 0 | 0 | 116 | L853 L854 A855 I859 R890 | L853-E857 PolarHBondContact O-N 3.02Å; L854-E857 PolarHBondContact O-N 3.38Å; A855-E857 PolarHBondContact O-N 3.39Å; E857-I859 PolarHBondContact O-N 3.1Å; E857-R890 IonicContact OE1-CZ 2.79Å; E857-R890 IonicContact OE1-NH1 3.21Å; E857-R890 IonicContact OE1-NH2 3.42Å; E857-R890 PolarHBondContact OE1-NH2 3.32Å; E857-R890 IonicContact OE2-CZ 3.17Å; E857-R890 VanDerWaalsContact OE2-CZ 3.26Å; E857-R890 IonicContact OE2-NH1 3.98Å; E857-R890 PolarHBondContact OE2-NH1 2.93Å; E857-R890 IonicContact OE2-NH2 3.29Å; E857-R890 PolarHBondContact OE2-NH2 2.64Å |
| 858 | N | 85.2 | Confident | 85.4 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | trans | -83.9 | 62.5 | -177.2 | -157.7 | -5.6 | 0 | 0 | 0 | 111.7 | K834 L853 N856 T860 E861 A862 | K834-N858 PolarHBondContact NZ-ND2 2.92Å; L853-N858 HydrophobicContact CB-CB 4.4Å; L853-N858 HydrophobicContact CD2-CB 3.98Å; L853-N858 PolarHBondContact O-N 3.01Å; N856-N858 PolarHBondContact O-N 3.19Å; N858-T860 PolarHBondContact O-N 2.69Å; N858-T860 PolarHBondContact OD1-OG1 2.93Å; N858-E861 PolarHBondContact ND2-OE1 3.04Å; N858-E861 PolarHBondContact ND2-OE2 3.19Å; N858-E861 PolarHBondContact O-N 2.86Å; N858-A862 WeakPolarHBondContact O-CB 3.45Å; N858-A862 PolarHBondContact O-N 3.3Å | ||
| 859 | I | 84 | Confident | 85.1 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -31 | -169.4 | -59.3 | 163.7 | 0 | 0 | 0 | 111.8 | E857 F863 F881 V893 | E857-I859 PolarHBondContact O-N 3.1Å; I859-F863 WeakPolarHBondContact O-CB 3.32Å; I859-F863 PolarHBondContact O-N 2.75Å; I859-F881 HydrophobicContact CG2-CE2 3.8Å; I859-F881 HydrophobicContact CG2-CZ 3.56Å; I859-V893 HydrophobicContact CB-CG1 4.2Å; I859-V893 HydrophobicContact CD1-CG1 4.33Å; I859-V893 HydrophobicContact CD1-CG2 4.13Å; I859-V893 HydrophobicContact CG2-CG1 3.63Å |
| 860 | T | 82.8 | Confident | 84.6 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.3 | -37.1 | 179.8 | 40.5 | 0 | 0 | 0 | 0 | 113.9 | N858 Q864 | N858-T860 PolarHBondContact O-N 2.69Å; N858-T860 PolarHBondContact OD1-OG1 2.93Å; T860-Q864 WeakPolarHBondContact O-CG 3.17Å; T860-Q864 PolarHBondContact O-NE2 3Å |
| 861 | E | 82.5 | Confident | 83.8 | Confident | 89 Ų | 89 | 50.7 Ų | 50.7 | 42% | 0.416 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -77.2 | -41.3 | 172 | -75.7 | 165.5 | -142.4 | 0 | 0 | 110.8 | L853 N858 F863 Q864 I865 | L853-E861 HydrophobicContact CD1-CB 3.83Å; L853-E861 HydrophobicContact CD2-CB 4.23Å; L853-E861 WeakPolarHBondContact CD2-OE2 3.45Å; N858-E861 PolarHBondContact ND2-OE1 3.04Å; N858-E861 PolarHBondContact ND2-OE2 3.19Å; N858-E861 PolarHBondContact O-N 2.86Å; E861-F863 VanDerWaalsContact C-N 3.3Å; E861-F863 PolarHBondContact O-N 3.49Å; E861-Q864 PolarHBondContact O-N 3.26Å; E861-I865 PolarHBondContact O-N 3.04Å; E861-I865 VanDerWaalsContact O-N 3.11Å |
| 862 | A | 86.2 | Confident | 83 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M850 L853 L854 N858 A866 F881 | M850-A862 HydrophobicContact CG-CB 4.31Å; L853-A862 HydrophobicContact CB-CB 3.88Å; L854-A862 HydrophobicContact CD2-CB 3.64Å; L854-A862 HydrophobicContact CG-CB 3.85Å; N858-A862 WeakPolarHBondContact O-CB 3.45Å; N858-A862 PolarHBondContact O-N 3.3Å; A862-A866 VanDerWaalsContact O-CB 3.25Å; A862-A866 WeakPolarHBondContact O-CB 3.45Å; A862-A866 PolarHBondContact O-N 2.66Å; A862-F881 HydrophobicContact CB-CD2 4.08Å; A862-F881 HydrophobicContact CB-CE2 3.94Å |
| 863 | F | 86.9 | Confident | 82.1 | Confident | 12 Ų | 12 | 58 Ų | 58 | 5% | 0.053 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 174.7 | 179.1 | -110.9 | 0 | 0 | 0 | 112.8 | I859 E861 A866 R867 L878 F881 F882 L897 L899 | I859-F863 WeakPolarHBondContact O-CB 3.32Å; I859-F863 PolarHBondContact O-N 2.75Å; E861-F863 VanDerWaalsContact C-N 3.3Å; E861-F863 PolarHBondContact O-N 3.49Å; F863-A866 PolarHBondContact O-N 2.69Å; F863-R867 WeakPolarHBondContact O-CB 3.39Å; F863-R867 PolarHBondContact O-N 3.45Å; F863-R867 VanDerWaalsContact O-N 3.13Å; F863-L878 HydrophobicContact CD2-CD1 4.06Å; F863-L878 HydrophobicContact CE2-CD1 3.71Å; F863-F881 HydrophobicContact CB-CE1 4.16Å; F863-F881 HydrophobicContact CB-CE2 3.82Å; F863-F881 HydrophobicContact CB-CZ 3.61Å; F863-F881 HydrophobicContact CD2-CD1 4.02Å; F863-F881 AromaticContact CD2-CE1 3.58Å; F863-F881 HydrophobicContact CD2-CE1 3.58Å; F863-F881 AromaticContact CD2-CZ 3.95Å; F863-F881 HydrophobicContact CD2-CZ 3.95Å; F863-F881 HydrophobicContact CE2-CE1 4.48Å; F863-F881 HydrophobicContact CG-CE1 4.31Å; F863-F881 HydrophobicContact CG-CZ 4.22Å; F863-F882 HydrophobicContact CE2-CE1 4.14Å; F863-F882 HydrophobicContact CE2-CZ 4.35Å; F863-L897 HydrophobicContact CB-CD2 4.2Å; F863-L897 HydrophobicContact CD1-CD2 3.64Å; F863-L897 HydrophobicContact CD2-CD1 3.7Å; F863-L897 HydrophobicContact CD2-CD2 4.31Å; F863-L897 HydrophobicContact CE1-CD2 4.02Å; F863-L897 HydrophobicContact CE2-CD1 3.94Å; F863-L897 HydrophobicContact CG-CD1 3.99Å; F863-L897 HydrophobicContact CG-CD2 3.78Å; F863-L897 HydrophobicContact CG-CG 4.49Å; F863-L897 HydrophobicContact CZ-CB 4.43Å; F863-L897 HydrophobicContact CZ-CD1 4.45Å; F863-L899 HydrophobicContact CE2-CD2 3.78Å; F863-L899 HydrophobicContact CZ-CD2 3.72Å |
| 864 | Q | 84.2 | Confident | 81.3 | Confident | 116 Ų | 116 | 60.1 Ų | 60.1 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | -179.7 | -74.9 | 172.4 | 68.1 | 0 | 0 | 111.5 | T860 E861 R867 L868 | T860-Q864 WeakPolarHBondContact O-CG 3.17Å; T860-Q864 PolarHBondContact O-NE2 3Å; E861-Q864 PolarHBondContact O-N 3.26Å; Q864-R867 PolarHBondContact O-N 3.02Å; Q864-L868 VanDerWaalsContact O-CG 3.32Å; Q864-L868 WeakPolarHBondContact O-CG 3.46Å; Q864-L868 PolarHBondContact O-N 3.15Å |
| 865 | I | 82.9 | Confident | 80.7 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 174.3 | -63.1 | -175.7 | 0 | 0 | 0 | 110.1 | H849 L853 E861 R867 L868 D869 | H849-I865 HydrophobicContact CB-CD1 4.1Å; H849-I865 WeakPolarHBondContact CD2-CD1 3.42Å; H849-I865 VanDerWaalsContact CG-CD1 3.45Å; L853-I865 HydrophobicContact CD1-CD1 3.66Å; E861-I865 PolarHBondContact O-N 3.04Å; E861-I865 VanDerWaalsContact O-N 3.11Å; I865-R867 PolarHBondContact O-N 2.99Å; I865-L868 PolarHBondContact O-N 3.24Å; I865-L868 VanDerWaalsContact O-N 3.08Å; I865-D869 PolarHBondContact O-N 3.41Å |
| 866 | A | 84.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.033 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -14.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M850 A862 F863 L877 L878 F881 | M850-A866 HydrophobicContact SD-CB 3.7Å; A862-A866 VanDerWaalsContact O-CB 3.25Å; A862-A866 WeakPolarHBondContact O-CB 3.45Å; A862-A866 PolarHBondContact O-N 2.66Å; F863-A866 PolarHBondContact O-N 2.69Å; A866-L877 HydrophobicContact CB-CB 4.06Å; A866-L878 WeakPolarHBondContact O-CA 3.36Å; A866-L878 WeakPolarHBondContact O-CB 3.34Å; A866-L878 PolarHBondContact O-N 2.75Å; A866-F881 HydrophobicContact CB-CB 3.72Å; A866-F881 HydrophobicContact CB-CD2 4.38Å; A866-F881 HydrophobicContact CB-CG 4.12Å |
| 867 | R | 84.4 | Confident | 80.5 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 28% | 0.275 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -103.2 | -12.5 | -179.1 | -165.8 | -176.1 | -159.1 | -173.5 | 15.6 | 113.8 | F863 Q864 I865 Y898 E903 | F863-R867 WeakPolarHBondContact O-CB 3.39Å; F863-R867 PolarHBondContact O-N 3.45Å; F863-R867 VanDerWaalsContact O-N 3.13Å; Q864-R867 PolarHBondContact O-N 3.02Å; I865-R867 PolarHBondContact O-N 2.99Å; R867-Y898 PolarHBondContact NH1-O 3.37Å; R867-Y898 PolarHBondContact NH2-O 3.28Å; R867-E903 IonicContact CZ-OE1 2.67Å; R867-E903 IonicContact CZ-OE2 3.42Å; R867-E903 IonicContact NE-OE1 3.7Å; R867-E903 PolarHBondContact NE-OE1 3.16Å; R867-E903 IonicContact NE-OE2 3.7Å; R867-E903 PolarHBondContact NE-OE2 3.06Å; R867-E903 IonicContact NH2-OE1 3.51Å; R867-E903 IonicContact NH2-OE2 3.45Å; R867-E903 PolarHBondContact NH2-OE2 3.17Å |
| 868 | L | 80.4 | Confident | 80.6 | Confident | 118 Ų | 118 | 59.2 Ų | 59.2 | 62% | 0.618 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -110.3 | -32.6 | -177.5 | -70.4 | 173.1 | 0 | 0 | 0 | 112.5 | Q864 I865 | Q864-L868 VanDerWaalsContact O-CG 3.32Å; Q864-L868 WeakPolarHBondContact O-CG 3.46Å; Q864-L868 PolarHBondContact O-N 3.15Å; I865-L868 PolarHBondContact O-N 3.24Å; I865-L868 VanDerWaalsContact O-N 3.08Å |
| 869 | D | 78.6 | Confident | 80.7 | Confident | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.353 | 32% | 0.322 | S | S | . | . | trans | -119.9 | 144.8 | -172.5 | -55.9 | -23.3 | 0 | 0 | 0 | 111.8 | S846 I865 L877 | S846-D869 VanDerWaalsContact CB-CB 3.49Å; S846-D869 VanDerWaalsContact CB-OD2 3.22Å; S846-D869 WeakPolarHBondContact CB-OD2 3.43Å; S846-D869 WeakPolarHBondContact OG-CB 3.44Å; S846-D869 VanDerWaalsContact OG-CG 3.3Å; S846-D869 PolarHBondContact OG-OD2 2.55Å; I865-D869 PolarHBondContact O-N 3.41Å; D869-L877 HydrophobicContact CB-CD1 4.38Å; D869-L877 WeakPolarHBondContact O-CD1 3.45Å | ||
| 870 | D | 77.5 | Confident | 80.6 | Confident | 96 Ų | 96 | 67.4 Ų | 67.4 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 172.7 | 167.3 | -59.5 | -56.4 | 0 | 0 | 0 | 110.7 | Q875 P876 | D870-Q875 WeakPolarHBondContact CA-O 3.37Å; D870-P876 WeakPolarHBondContact OD1-CA 3.41Å |
| 871 | D | 74 | Confident | 80.9 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 15% | 0.15 | 32% | 0.321 | C | S | . | . | trans | -84.3 | 178.7 | 170.7 | 73.8 | 14.7 | 0 | 0 | 0 | 113.6 | A847 D873 G874 Q875 L877 R880 | A847-D871 HydrophobicContact CB-CB 4.09Å; D871-D873 PolarHBondContact O-N 2.89Å; D871-D873 PolarHBondContact OD1-N 3.05Å; D871-D873 VanDerWaalsContact OD1-N 3.15Å; D871-G874 PolarHBondContact O-N 2.71Å; D871-G874 PolarHBondContact OD1-N 3.05Å; D871-Q875 PolarHBondContact N-O 3.21Å; D871-Q875 WeakPolarHBondContact OD1-CB 3.47Å; D871-Q875 PolarHBondContact OD1-N 2.8Å; D871-L877 HydrophobicContact CB-CD2 3.79Å; D871-L877 HydrophobicContact CB-CG 4.28Å; D871-R880 IonicContact OD2-NH1 3.28Å; D871-R880 PolarHBondContact OD2-NH1 2.94Å | ||
| 872 | E | 69.4 | Low | 81.2 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.4 | -175.9 | -71.1 | 173 | -140.5 | 0 | 0 | 113.4 | R818 S845 | R818-E872 IonicContact CZ-OE1 3.59Å; R818-E872 IonicContact CZ-OE2 2.65Å; R818-E872 IonicContact NH2-OE1 2.65Å; R818-E872 PolarHBondContact NH2-OE1 3.27Å; R818-E872 IonicContact NH2-OE2 3.38Å; R818-E872 PolarHBondContact NH2-OE2 2.98Å; S845-E872 WeakPolarHBondContact CB-OE1 3.32Å; S845-E872 PolarHBondContact OG-OE1 3.45Å |
| 873 | D | 71.8 | Confident | 81.2 | Confident | 137 Ų | 137 | 63 Ų | 63 | 73% | 0.733 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 9.9 | 174.2 | -60.8 | -61.8 | 0 | 0 | 0 | 112 | D871 Q875 | D871-D873 PolarHBondContact O-N 2.89Å; D871-D873 PolarHBondContact OD1-N 3.05Å; D871-D873 VanDerWaalsContact OD1-N 3.15Å; D873-Q875 VanDerWaalsContact C-N 3.34Å; D873-Q875 HydrophobicContact CB-CG 4.4Å; D873-Q875 PolarHBondContact O-N 2.89Å; D873-Q875 PolarHBondContact O-NE2 2.96Å |
| 874 | G | 70.9 | Confident | 81.1 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 51% | 0.505 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 71.2 | 23.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D871 | D871-G874 PolarHBondContact O-N 2.71Å; D871-G874 PolarHBondContact OD1-N 3.05Å |
| 875 | Q | 74.6 | Confident | 81.2 | Confident | 112 Ų | 112 | 59.9 Ų | 59.9 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | trans | -94 | 143 | 177.7 | -51.8 | -54 | -62 | 0 | 0 | 111.3 | D870 D871 D873 L877 | D870-Q875 WeakPolarHBondContact CA-O 3.37Å; D871-Q875 PolarHBondContact N-O 3.21Å; D871-Q875 WeakPolarHBondContact OD1-CB 3.47Å; D871-Q875 PolarHBondContact OD1-N 2.8Å; D873-Q875 VanDerWaalsContact C-N 3.34Å; D873-Q875 HydrophobicContact CB-CG 4.4Å; D873-Q875 PolarHBondContact O-N 2.89Å; D873-Q875 PolarHBondContact O-NE2 2.96Å; Q875-L877 PolarHBondContact O-N 3.2Å | ||
| 876 | P | 79.9 | Confident | 81.3 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 42% | 0.416 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -69.7 | 115.4 | -176.6 | 27.3 | -34.7 | 0 | 0 | 0 | 111.8 | D870 L878 E879 | D870-P876 WeakPolarHBondContact OD1-CA 3.41Å; P876-L878 PolarHBondContact O-N 2.78Å; P876-E879 PolarHBondContact O-N 3.5Å |
| 877 | L | 85.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.1 | -25.4 | -179.7 | -76.4 | 176.4 | 0 | 0 | 0 | 113.5 | A847 M850 A866 D869 D871 Q875 E879 R880 F881 | A847-L877 HydrophobicContact CB-CD2 3.83Å; M850-L877 HydrophobicContact CE-CD2 4Å; M850-L877 HydrophobicContact SD-CB 4.09Å; M850-L877 HydrophobicContact SD-CD2 4.36Å; A866-L877 HydrophobicContact CB-CB 4.06Å; D869-L877 HydrophobicContact CB-CD1 4.38Å; D869-L877 WeakPolarHBondContact O-CD1 3.45Å; D871-L877 HydrophobicContact CB-CD2 3.79Å; D871-L877 HydrophobicContact CB-CG 4.28Å; Q875-L877 PolarHBondContact O-N 3.2Å; L877-E879 VanDerWaalsContact C-N 3.28Å; L877-E879 PolarHBondContact O-N 3.5Å; L877-R880 WeakPolarHBondContact O-CB 3.16Å; L877-R880 PolarHBondContact O-N 3.47Å; L877-F881 PolarHBondContact O-N 3.35Å |
| 878 | L | 87.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.2 | -39.7 | 178.5 | -165.6 | 65 | 0 | 0 | 0 | 113.8 | F863 A866 P876 R880 F881 F882 E903 L906 | F863-L878 HydrophobicContact CD2-CD1 4.06Å; F863-L878 HydrophobicContact CE2-CD1 3.71Å; A866-L878 WeakPolarHBondContact O-CA 3.36Å; A866-L878 WeakPolarHBondContact O-CB 3.34Å; A866-L878 PolarHBondContact O-N 2.75Å; P876-L878 PolarHBondContact O-N 2.78Å; L878-R880 VanDerWaalsContact C-N 3.31Å; L878-R880 PolarHBondContact O-N 3.46Å; L878-F881 PolarHBondContact O-N 2.94Å; L878-F882 HydrophobicContact CD1-CE1 4.17Å; L878-F882 HydrophobicContact CD1-CE2 4.05Å; L878-F882 HydrophobicContact CD1-CZ 3.76Å; L878-F882 HydrophobicContact CD2-CE2 3.89Å; L878-F882 HydrophobicContact CD2-CZ 4.16Å; L878-F882 HydrophobicContact CG-CD2 4.12Å; L878-F882 HydrophobicContact CG-CE2 3.59Å; L878-F882 HydrophobicContact CG-CZ 3.84Å; L878-F882 WeakPolarHBondContact O-CD2 3.42Å; L878-F882 WeakPolarHBondContact O-CG 3.45Å; L878-F882 PolarHBondContact O-N 3.29Å; L878-E903 HydrophobicContact CD2-CB 3.98Å; L878-E903 HydrophobicContact CD2-CG 3.64Å; L878-L906 HydrophobicContact CB-CD2 4.47Å; L878-L906 HydrophobicContact CD2-CD2 4.22Å; L878-L906 HydrophobicContact CG-CD2 4.34Å |
| 879 | E | 85.9 | Confident | 81.2 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 29% | 0.29 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 179.1 | -165.9 | -179.4 | 141.6 | 0 | 0 | 111.2 | P876 L877 F882 R883 L906 L910 | P876-E879 PolarHBondContact O-N 3.5Å; L877-E879 VanDerWaalsContact C-N 3.28Å; L877-E879 PolarHBondContact O-N 3.5Å; E879-F882 PolarHBondContact O-N 2.9Å; E879-R883 PolarHBondContact O-N 2.94Å; E879-R883 IonicContact OE1-CZ 3.68Å; E879-R883 IonicContact OE1-NH1 3.71Å; E879-R883 PolarHBondContact OE1-NH1 3.23Å; E879-R883 IonicContact OE1-NH2 3.39Å; E879-R883 PolarHBondContact OE1-NH2 3.49Å; E879-L906 HydrophobicContact CB-CD2 4.17Å; E879-L906 HydrophobicContact CG-CD1 4.1Å; E879-L910 HydrophobicContact CG-CD1 3.99Å; E879-L910 HydrophobicContact CG-CD2 3.96Å; E879-L910 HydrophobicContact CG-CG 4.48Å |
| 880 | R | 83.3 | Confident | 81.2 | Confident | 151 Ų | 151 | 69.2 Ų | 69.2 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -72.5 | -39.5 | 180 | -158 | 173.7 | -164.6 | 151.4 | 2.6 | 111.5 | M850 D871 L877 L878 H884 | M850-R880 HydrophobicContact CE-CB 4.18Å; M850-R880 HydrophobicContact CE-CG 4.21Å; D871-R880 IonicContact OD2-NH1 3.28Å; D871-R880 PolarHBondContact OD2-NH1 2.94Å; L877-R880 WeakPolarHBondContact O-CB 3.16Å; L877-R880 PolarHBondContact O-N 3.47Å; L878-R880 VanDerWaalsContact C-N 3.31Å; L878-R880 PolarHBondContact O-N 3.46Å; R880-H884 WeakPolarHBondContact O-CB 3.12Å; R880-H884 PolarHBondContact O-N 3.01Å |
| 881 | F | 88.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -48 | 170.2 | 170.6 | -87.5 | 0 | 0 | 0 | 111.9 | M850 L854 I859 A862 F863 A866 L877 L878 H884 C885 L894 L897 | M850-F881 HydrophobicContact SD-CB 3.92Å; L854-F881 HydrophobicContact CD2-CD2 3.84Å; L854-F881 HydrophobicContact CD2-CE2 3.88Å; I859-F881 HydrophobicContact CG2-CE2 3.8Å; I859-F881 HydrophobicContact CG2-CZ 3.56Å; A862-F881 HydrophobicContact CB-CD2 4.08Å; A862-F881 HydrophobicContact CB-CE2 3.94Å; F863-F881 HydrophobicContact CB-CE1 4.16Å; F863-F881 HydrophobicContact CB-CE2 3.82Å; F863-F881 HydrophobicContact CB-CZ 3.61Å; F863-F881 HydrophobicContact CD2-CD1 4.02Å; F863-F881 AromaticContact CD2-CE1 3.58Å; F863-F881 HydrophobicContact CD2-CE1 3.58Å; F863-F881 AromaticContact CD2-CZ 3.95Å; F863-F881 HydrophobicContact CD2-CZ 3.95Å; F863-F881 HydrophobicContact CE2-CE1 4.48Å; F863-F881 HydrophobicContact CG-CE1 4.31Å; F863-F881 HydrophobicContact CG-CZ 4.22Å; A866-F881 HydrophobicContact CB-CB 3.72Å; A866-F881 HydrophobicContact CB-CD2 4.38Å; A866-F881 HydrophobicContact CB-CG 4.12Å; L877-F881 PolarHBondContact O-N 3.35Å; L878-F881 PolarHBondContact O-N 2.94Å; F881-H884 PolarHBondContact O-N 3.42Å; F881-C885 PolarHBondContact O-N 3.48Å; F881-C885 VanDerWaalsContact O-N 3.07Å; F881-C885 PolarHBondContact O-SG 3Å; F881-L894 HydrophobicContact CE1-CD2 4.37Å; F881-L897 HydrophobicContact CE1-CD1 3.82Å; F881-L897 HydrophobicContact CZ-CD1 4.02Å |
| 882 | F | 88.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | -179.6 | -72.1 | -30.9 | 0 | 0 | 0 | 112.4 | F863 L878 E879 H884 C885 I886 L894 L899 E903 L906 L907 L910 | F863-F882 HydrophobicContact CE2-CE1 4.14Å; F863-F882 HydrophobicContact CE2-CZ 4.35Å; L878-F882 HydrophobicContact CD1-CE1 4.17Å; L878-F882 HydrophobicContact CD1-CE2 4.05Å; L878-F882 HydrophobicContact CD1-CZ 3.76Å; L878-F882 HydrophobicContact CD2-CE2 3.89Å; L878-F882 HydrophobicContact CD2-CZ 4.16Å; L878-F882 HydrophobicContact CG-CD2 4.12Å; L878-F882 HydrophobicContact CG-CE2 3.59Å; L878-F882 HydrophobicContact CG-CZ 3.84Å; L878-F882 WeakPolarHBondContact O-CD2 3.42Å; L878-F882 WeakPolarHBondContact O-CG 3.45Å; L878-F882 PolarHBondContact O-N 3.29Å; E879-F882 PolarHBondContact O-N 2.9Å; F882-H884 VanDerWaalsContact C-N 3.32Å; F882-H884 PolarHBondContact O-N 3.2Å; F882-C885 PolarHBondContact O-N 2.85Å; F882-I886 VanDerWaalsContact O-CG1 3.29Å; F882-I886 WeakPolarHBondContact O-CG1 3.38Å; F882-I886 PolarHBondContact O-N 3.41Å; F882-L894 HydrophobicContact CD1-CD2 3.7Å; F882-L894 HydrophobicContact CE1-CD2 4.17Å; F882-L899 HydrophobicContact CE1-CD2 3.98Å; F882-L899 HydrophobicContact CZ-CD1 4.41Å; F882-L899 HydrophobicContact CZ-CD2 3.78Å; F882-E903 HydrophobicContact CZ-CB 4.48Å; F882-L906 HydrophobicContact CD2-CD2 4.16Å; F882-L906 HydrophobicContact CD2-CG 4.26Å; F882-L906 HydrophobicContact CE2-CD2 4.19Å; F882-L906 HydrophobicContact CE2-CG 4.44Å; F882-L907 HydrophobicContact CB-CD1 4.04Å; F882-L907 HydrophobicContact CD1-CD1 4.04Å; F882-L907 HydrophobicContact CD2-CB 4.05Å; F882-L907 HydrophobicContact CD2-CD1 4.33Å; F882-L907 HydrophobicContact CE2-CB 3.96Å; F882-L907 HydrophobicContact CG-CB 4.45Å; F882-L907 HydrophobicContact CG-CD1 3.91Å; F882-L907 HydrophobicContact CZ-CB 4.3Å; F882-L910 HydrophobicContact CB-CD1 3.47Å; F882-L910 VanDerWaalsContact CB-CD1 3.47Å; F882-L910 HydrophobicContact CD2-CD1 4.05Å; F882-L910 HydrophobicContact CG-CD1 4.28Å |
| 883 | R | 86.4 | Confident | 82 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55 | -48.3 | 174.7 | -77.2 | -162.4 | -179.9 | 94.3 | 11.5 | 111.7 | E879 C885 I886 E887 L910 | E879-R883 PolarHBondContact O-N 2.94Å; E879-R883 IonicContact OE1-CZ 3.68Å; E879-R883 IonicContact OE1-NH1 3.71Å; E879-R883 PolarHBondContact OE1-NH1 3.23Å; E879-R883 IonicContact OE1-NH2 3.39Å; E879-R883 PolarHBondContact OE1-NH2 3.49Å; R883-C885 VanDerWaalsContact C-N 3.35Å; R883-C885 PolarHBondContact O-N 2.92Å; R883-I886 WeakPolarHBondContact O-CB 3.48Å; R883-I886 PolarHBondContact O-N 2.87Å; R883-I886 VanDerWaalsContact O-N 3.1Å; R883-E887 VanDerWaalsContact O-CG 3.3Å; R883-E887 WeakPolarHBondContact O-CG 3.44Å; R883-E887 PolarHBondContact O-N 3.1Å; R883-L910 HydrophobicContact CG-CD1 4.42Å; R883-L910 HydrophobicContact CG-CD2 3.98Å; R883-L910 VanDerWaalsContact NH2-CD2 3.27Å |
| 884 | H | 84.7 | Confident | 82.4 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 27% | 0.269 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 179.6 | -169.1 | 73.5 | 0 | 0 | 0 | 113.3 | L854 R880 F881 F882 I886 E887 I888 | L854-H884 HydrophobicContact CD1-CB 4.28Å; R880-H884 WeakPolarHBondContact O-CB 3.12Å; R880-H884 PolarHBondContact O-N 3.01Å; F881-H884 PolarHBondContact O-N 3.42Å; F882-H884 VanDerWaalsContact C-N 3.32Å; F882-H884 PolarHBondContact O-N 3.2Å; H884-I886 VanDerWaalsContact C-N 3.32Å; H884-I886 PolarHBondContact O-N 2.87Å; H884-E887 PolarHBondContact O-N 3.06Å; H884-I888 VanDerWaalsContact NE2-CD1 3.26Å; H884-I888 WeakPolarHBondContact NE2-CD1 3.5Å; H884-I888 PolarHBondContact O-N 2.93Å |
| 885 | C | 85.2 | Confident | 82.6 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 3% | 0.034 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.9 | -30.7 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | F881 F882 R883 R889 R890 L894 | F881-C885 PolarHBondContact O-N 3.48Å; F881-C885 VanDerWaalsContact O-N 3.07Å; F881-C885 PolarHBondContact O-SG 3Å; F882-C885 PolarHBondContact O-N 2.85Å; R883-C885 VanDerWaalsContact C-N 3.35Å; R883-C885 PolarHBondContact O-N 2.92Å; C885-R889 PolarHBondContact O-N 3.44Å; C885-R890 PolarHBondContact O-N 3.36Å; C885-L894 HydrophobicContact CB-CD1 3.85Å; C885-L894 HydrophobicContact CB-CD2 3.76Å; C885-L894 HydrophobicContact CB-CG 3.88Å |
| 886 | I | 86 | Confident | 82.8 | Confident | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.2 | -43.6 | 173.8 | -66.8 | 164.4 | 0 | 0 | 0 | 110.6 | F882 R883 H884 I888 R889 F891 L894 L907 L910 L911 C914 T919 | F882-I886 VanDerWaalsContact O-CG1 3.29Å; F882-I886 WeakPolarHBondContact O-CG1 3.38Å; F882-I886 PolarHBondContact O-N 3.41Å; R883-I886 WeakPolarHBondContact O-CB 3.48Å; R883-I886 PolarHBondContact O-N 2.87Å; R883-I886 VanDerWaalsContact O-N 3.1Å; H884-I886 VanDerWaalsContact C-N 3.32Å; H884-I886 PolarHBondContact O-N 2.87Å; I886-I888 PolarHBondContact O-N 3.45Å; I886-R889 WeakPolarHBondContact O-CA 3.5Å; I886-R889 PolarHBondContact O-N 3.03Å; I886-F891 HydrophobicContact CB-CE1 4.38Å; I886-F891 HydrophobicContact CG1-CE1 4.38Å; I886-F891 HydrophobicContact CG2-CE1 4.14Å; I886-L894 HydrophobicContact CG1-CD1 3.97Å; I886-L907 HydrophobicContact CD1-CD1 4.06Å; I886-L910 HydrophobicContact CD1-CB 3.92Å; I886-L911 HydrophobicContact CD1-CD2 3.8Å; I886-L911 HydrophobicContact CD1-CG 4.06Å; I886-L911 HydrophobicContact CG1-CD2 3.82Å; I886-C914 HydrophobicContact CG2-CB 4.28Å; I886-T919 HydrophobicContact CG2-CG2 3.8Å |
| 887 | E | 83.2 | Confident | 82.8 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 62% | 0.617 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.8 | -45.4 | 176.7 | -73.3 | 159.6 | -166.5 | 0 | 0 | 111.9 | R883 H884 R889 | R883-E887 VanDerWaalsContact O-CG 3.3Å; R883-E887 WeakPolarHBondContact O-CG 3.44Å; R883-E887 PolarHBondContact O-N 3.1Å; H884-E887 PolarHBondContact O-N 3.06Å; E887-R889 PolarHBondContact O-N 2.92Å |
| 888 | I | 81.4 | Confident | 82.5 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 46% | 0.456 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 4.8 | 175.8 | -56.6 | -175 | 0 | 0 | 0 | 111.9 | H884 I886 R890 | H884-I888 VanDerWaalsContact NE2-CD1 3.26Å; H884-I888 WeakPolarHBondContact NE2-CD1 3.5Å; H884-I888 PolarHBondContact O-N 2.93Å; I886-I888 PolarHBondContact O-N 3.45Å; I888-R890 HydrophobicContact CG2-CG 4.08Å; I888-R890 PolarHBondContact O-N 2.92Å; I888-R890 VanDerWaalsContact O-N 3.08Å |
| 889 | R | 82 | Confident | 82.2 | Confident | 167 Ų | 167 | 68.6 Ų | 68.6 | 63% | 0.63 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 23.7 | 177.7 | -53.9 | -170.9 | -171.7 | -171.5 | 13.8 | 115.1 | C885 I886 E887 F891 | C885-R889 PolarHBondContact O-N 3.44Å; I886-R889 WeakPolarHBondContact O-CA 3.5Å; I886-R889 PolarHBondContact O-N 3.03Å; E887-R889 PolarHBondContact O-N 2.92Å; R889-F891 HydrophobicContact CB-CD2 4.18Å; R889-F891 HydrophobicContact CB-CE2 3.58Å; R889-F891 HydrophobicContact CB-CZ 4.08Å; R889-F891 HydrophobicContact CG-CE2 4.06Å; R889-F891 HydrophobicContact CG-CZ 4.26Å; R889-F891 WeakPolarHBondContact O-CD2 3.43Å; R889-F891 PolarHBondContact O-N 3.36Å |
| 890 | R | 80.4 | Confident | 82.1 | Confident | 84 Ų | 84 | 70.3 Ų | 70.3 | 32% | 0.317 | 31% | 0.305 | S | S | . | . | trans | -81.1 | 48.7 | -178.5 | -76.2 | -176.5 | -179 | -150.8 | 0.5 | 112.7 | E857 C885 I888 K892 V893 L894 | E857-R890 IonicContact OE1-CZ 2.79Å; E857-R890 IonicContact OE1-NH1 3.21Å; E857-R890 IonicContact OE1-NH2 3.42Å; E857-R890 PolarHBondContact OE1-NH2 3.32Å; E857-R890 IonicContact OE2-CZ 3.17Å; E857-R890 VanDerWaalsContact OE2-CZ 3.26Å; E857-R890 IonicContact OE2-NH1 3.98Å; E857-R890 PolarHBondContact OE2-NH1 2.93Å; E857-R890 IonicContact OE2-NH2 3.29Å; E857-R890 PolarHBondContact OE2-NH2 2.64Å; C885-R890 PolarHBondContact O-N 3.36Å; I888-R890 HydrophobicContact CG2-CG 4.08Å; I888-R890 PolarHBondContact O-N 2.92Å; I888-R890 VanDerWaalsContact O-N 3.08Å; R890-K892 VanDerWaalsContact C-N 3.27Å; R890-K892 PolarHBondContact O-N 2.77Å; R890-V893 HydrophobicContact CB-CG2 4.31Å; R890-V893 PolarHBondContact O-N 3.4Å; R890-L894 PolarHBondContact O-N 2.9Å | ||
| 891 | F | 81.1 | Confident | 81.7 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 9% | 0.088 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.4 | -32.3 | -174.4 | -56.5 | -60.5 | 0 | 0 | 0 | 114.4 | I886 R889 V893 L894 A895 L911 Q918 T919 V922 | I886-F891 HydrophobicContact CB-CE1 4.38Å; I886-F891 HydrophobicContact CG1-CE1 4.38Å; I886-F891 HydrophobicContact CG2-CE1 4.14Å; R889-F891 HydrophobicContact CB-CD2 4.18Å; R889-F891 HydrophobicContact CB-CE2 3.58Å; R889-F891 HydrophobicContact CB-CZ 4.08Å; R889-F891 HydrophobicContact CG-CE2 4.06Å; R889-F891 HydrophobicContact CG-CZ 4.26Å; R889-F891 WeakPolarHBondContact O-CD2 3.43Å; R889-F891 PolarHBondContact O-N 3.36Å; F891-V893 VanDerWaalsContact C-N 3.29Å; F891-V893 PolarHBondContact O-N 3.02Å; F891-L894 HydrophobicContact CD1-CD1 4.32Å; F891-L894 PolarHBondContact O-N 2.7Å; F891-A895 PolarHBondContact O-N 2.77Å; F891-A895 VanDerWaalsContact O-N 3.1Å; F891-L911 HydrophobicContact CD1-CD2 4.49Å; F891-L911 HydrophobicContact CE1-CD2 4.24Å; F891-Q918 HydrophobicContact CD2-CG 4.36Å; F891-Q918 HydrophobicContact CE2-CG 3.81Å; F891-T919 HydrophobicContact CE1-CG2 3.82Å; F891-T919 HydrophobicContact CZ-CG2 3.87Å; F891-V922 HydrophobicContact CB-CB 4.41Å; F891-V922 HydrophobicContact CB-CG1 3.9Å; F891-V922 HydrophobicContact CB-CG2 3.59Å; F891-V922 HydrophobicContact CD1-CB 4.32Å; F891-V922 HydrophobicContact CD1-CG1 3.92Å; F891-V922 HydrophobicContact CD1-CG2 3.96Å; F891-V922 HydrophobicContact CD2-CG2 3.84Å; F891-V922 HydrophobicContact CG-CB 4.34Å; F891-V922 HydrophobicContact CG-CG1 4.11Å; F891-V922 HydrophobicContact CG-CG2 3.52Å |
| 892 | K | 78.9 | Confident | 81 | Confident | 148 Ų | 148 | 71.4 Ų | 71.4 | 64% | 0.643 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.4 | -44.5 | 174 | 178.6 | 179.6 | 169.6 | -176.7 | 0 | 111.5 | R890 L894 A895 E896 | R890-K892 VanDerWaalsContact C-N 3.27Å; R890-K892 PolarHBondContact O-N 2.77Å; K892-L894 VanDerWaalsContact C-N 3.35Å; K892-L894 PolarHBondContact O-N 3.09Å; K892-A895 PolarHBondContact O-N 3.34Å; K892-E896 VanDerWaalsContact CE-CD 3.46Å; K892-E896 WeakPolarHBondContact CE-OE1 3.47Å; K892-E896 IonicContact NZ-OE1 3.21Å; K892-E896 WeakPolarHBondContact O-CG 3.18Å; K892-E896 PolarHBondContact O-N 3.18Å; K892-E896 VanDerWaalsContact O-N 3.12Å |
| 893 | V | 77.3 | Confident | 80.8 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.9 | -40.2 | -178.8 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | I859 R890 F891 A895 E896 L897 | I859-V893 HydrophobicContact CB-CG1 4.2Å; I859-V893 HydrophobicContact CD1-CG1 4.33Å; I859-V893 HydrophobicContact CD1-CG2 4.13Å; I859-V893 HydrophobicContact CG2-CG1 3.63Å; R890-V893 HydrophobicContact CB-CG2 4.31Å; R890-V893 PolarHBondContact O-N 3.4Å; F891-V893 VanDerWaalsContact C-N 3.29Å; F891-V893 PolarHBondContact O-N 3.02Å; V893-A895 VanDerWaalsContact C-N 3.26Å; V893-A895 PolarHBondContact O-N 3.22Å; V893-E896 PolarHBondContact O-N 3Å; V893-E896 VanDerWaalsContact O-N 3.08Å; V893-L897 WeakPolarHBondContact O-CG 3.4Å; V893-L897 PolarHBondContact O-N 3.3Å |
| 894 | L | 79.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -32.8 | 174.7 | -69.6 | 170.3 | 0 | 0 | 0 | 113.4 | F881 F882 C885 I886 R890 F891 K892 L897 L907 M926 | F881-L894 HydrophobicContact CE1-CD2 4.37Å; F882-L894 HydrophobicContact CD1-CD2 3.7Å; F882-L894 HydrophobicContact CE1-CD2 4.17Å; C885-L894 HydrophobicContact CB-CD1 3.85Å; C885-L894 HydrophobicContact CB-CD2 3.76Å; C885-L894 HydrophobicContact CB-CG 3.88Å; I886-L894 HydrophobicContact CG1-CD1 3.97Å; R890-L894 PolarHBondContact O-N 2.9Å; F891-L894 HydrophobicContact CD1-CD1 4.32Å; F891-L894 PolarHBondContact O-N 2.7Å; K892-L894 VanDerWaalsContact C-N 3.35Å; K892-L894 PolarHBondContact O-N 3.09Å; L894-L897 HydrophobicContact CD2-CD1 4.35Å; L894-L907 HydrophobicContact CB-CD2 4.38Å; L894-L907 HydrophobicContact CD1-CD1 4.22Å; L894-L907 HydrophobicContact CD2-CD1 4.26Å; L894-L907 HydrophobicContact CD2-CD2 4.42Å; L894-M926 WeakPolarHBondContact O-CE 3.36Å |
| 895 | A | 74.9 | Confident | 80.4 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.7 | -26.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F891 K892 V893 M926 | F891-A895 PolarHBondContact O-N 2.77Å; F891-A895 VanDerWaalsContact O-N 3.1Å; K892-A895 PolarHBondContact O-N 3.34Å; V893-A895 VanDerWaalsContact C-N 3.26Å; V893-A895 PolarHBondContact O-N 3.22Å; A895-M926 HydrophobicContact CB-CG 4.38Å |
| 896 | E | 78.9 | Confident | 80.4 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 56% | 0.556 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -84.4 | -6.9 | 178.2 | -70.6 | 172.6 | 161 | 0 | 0 | 113.2 | K892 V893 | K892-E896 VanDerWaalsContact CE-CD 3.46Å; K892-E896 WeakPolarHBondContact CE-OE1 3.47Å; K892-E896 IonicContact NZ-OE1 3.21Å; K892-E896 WeakPolarHBondContact O-CG 3.18Å; K892-E896 PolarHBondContact O-N 3.18Å; K892-E896 VanDerWaalsContact O-N 3.12Å; V893-E896 PolarHBondContact O-N 3Å; V893-E896 VanDerWaalsContact O-N 3.08Å |
| 897 | L | 79.8 | Confident | 80.3 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 12% | 0.115 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -81.8 | 133.7 | 177.5 | -70.7 | 173.6 | 0 | 0 | 0 | 113.2 | F863 F881 V893 L894 L899 | F863-L897 HydrophobicContact CB-CD2 4.2Å; F863-L897 HydrophobicContact CD1-CD2 3.64Å; F863-L897 HydrophobicContact CD2-CD1 3.7Å; F863-L897 HydrophobicContact CD2-CD2 4.31Å; F863-L897 HydrophobicContact CE1-CD2 4.02Å; F863-L897 HydrophobicContact CE2-CD1 3.94Å; F863-L897 HydrophobicContact CG-CD1 3.99Å; F863-L897 HydrophobicContact CG-CD2 3.78Å; F863-L897 HydrophobicContact CG-CG 4.49Å; F863-L897 HydrophobicContact CZ-CB 4.43Å; F863-L897 HydrophobicContact CZ-CD1 4.45Å; F881-L897 HydrophobicContact CE1-CD1 3.82Å; F881-L897 HydrophobicContact CZ-CD1 4.02Å; V893-L897 WeakPolarHBondContact O-CG 3.4Å; V893-L897 PolarHBondContact O-N 3.3Å; L894-L897 HydrophobicContact CD2-CD1 4.35Å; L897-L899 VanDerWaalsContact C-N 3.26Å; L897-L899 HydrophobicContact CB-CD2 3.82Å; L897-L899 HydrophobicContact CB-CG 4.33Å; L897-L899 PolarHBondContact O-N 3.43Å |
| 898 | Y | 79.4 | Confident | 80.5 | Confident | 208 Ų | 208 | 67.2 Ų | 67.2 | 82% | 0.816 | 30% | 0.303 | S | S | * | . | trans | -75.9 | 69.5 | 175.1 | -67 | -79.3 | 0 | 0 | 0 | 112.6 | R867 | R867-Y898 PolarHBondContact NH1-O 3.37Å; R867-Y898 PolarHBondContact NH2-O 3.28Å | ||
| 899 | L | 81.3 | Confident | 80.6 | Confident | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | trans | -67.8 | 145.8 | 177.9 | -51.5 | -175 | 0 | 0 | 0 | 112.7 | F863 F882 L897 E903 E904 L907 M926 | F863-L899 HydrophobicContact CE2-CD2 3.78Å; F863-L899 HydrophobicContact CZ-CD2 3.72Å; F882-L899 HydrophobicContact CE1-CD2 3.98Å; F882-L899 HydrophobicContact CZ-CD1 4.41Å; F882-L899 HydrophobicContact CZ-CD2 3.78Å; L897-L899 VanDerWaalsContact C-N 3.26Å; L897-L899 HydrophobicContact CB-CD2 3.82Å; L897-L899 HydrophobicContact CB-CG 4.33Å; L897-L899 PolarHBondContact O-N 3.43Å; L899-E903 WeakPolarHBondContact CA-OE2 3.47Å; L899-E903 HydrophobicContact CB-CB 4.28Å; L899-E904 HydrophobicContact CB-CG 3.86Å; L899-E904 HydrophobicContact CD1-CG 4.33Å; L899-L907 HydrophobicContact CD1-CB 4.42Å; L899-L907 HydrophobicContact CD1-CD2 3.54Å; L899-M926 HydrophobicContact CD1-CE 4.13Å | ||
| 900 | R | 81.8 | Confident | 80.6 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | trans | -88 | 159.6 | 167.7 | -70.3 | 172.7 | -69.5 | -151.8 | 8.7 | 110.8 | E903 E904 | R900-E903 HydrophobicContact CB-CG 4.09Å; R900-E903 IonicContact CZ-OE1 3.33Å; R900-E903 PolarHBondContact N-OE2 3.18Å; R900-E903 IonicContact NE-OE1 3.81Å; R900-E903 PolarHBondContact NE-OE1 3.27Å; R900-E903 IonicContact NE-OE2 3.95Å; R900-E903 IonicContact NH2-OE1 2.82Å; R900-E903 PolarHBondContact NH2-OE1 2.98Å; R900-E903 WeakPolarHBondContact O-CA 3.46Å; R900-E903 WeakPolarHBondContact O-CB 3.34Å; R900-E903 PolarHBondContact O-N 3.17Å; R900-E904 PolarHBondContact O-N 3.19Å | ||
| 901 | E | 75.2 | Confident | 80.8 | Confident | 94 Ų | 94 | 54.2 Ų | 54.2 | 44% | 0.439 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -42.9 | -50.1 | 179 | -153.6 | 94.6 | -112.6 | 0 | 0 | 115.6 | E903 R905 K932 | E901-E903 VanDerWaalsContact C-N 3.35Å; E901-E903 PolarHBondContact O-N 3.02Å; E901-R905 WeakPolarHBondContact O-CG 3.24Å; E901-R905 PolarHBondContact O-N 3.28Å; E901-K932 IonicContact OE1-NZ 2.67Å; E901-K932 PolarHBondContact OE1-NZ 3.13Å |
| 902 | P | 75.6 | Confident | 80.8 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.6 | -27.5 | 176.5 | 28.3 | -36.5 | 0 | 0 | 0 | 113.8 | R905 L906 | P902-R905 PolarHBondContact O-N 3.18Å; P902-L906 PolarHBondContact O-N 3.39Å |
| 903 | E | 83.3 | Confident | 80.9 | Confident | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.6 | -34.5 | 179.1 | -52.4 | 173.9 | 166.3 | 0 | 0 | 110.9 | R867 L878 F882 L899 R900 E901 L906 L907 | R867-E903 IonicContact CZ-OE1 2.67Å; R867-E903 IonicContact CZ-OE2 3.42Å; R867-E903 IonicContact NE-OE1 3.7Å; R867-E903 PolarHBondContact NE-OE1 3.16Å; R867-E903 IonicContact NE-OE2 3.7Å; R867-E903 PolarHBondContact NE-OE2 3.06Å; R867-E903 IonicContact NH2-OE1 3.51Å; R867-E903 IonicContact NH2-OE2 3.45Å; R867-E903 PolarHBondContact NH2-OE2 3.17Å; L878-E903 HydrophobicContact CD2-CB 3.98Å; L878-E903 HydrophobicContact CD2-CG 3.64Å; F882-E903 HydrophobicContact CZ-CB 4.48Å; L899-E903 WeakPolarHBondContact CA-OE2 3.47Å; L899-E903 HydrophobicContact CB-CB 4.28Å; R900-E903 HydrophobicContact CB-CG 4.09Å; R900-E903 IonicContact CZ-OE1 3.33Å; R900-E903 PolarHBondContact N-OE2 3.18Å; R900-E903 IonicContact NE-OE1 3.81Å; R900-E903 PolarHBondContact NE-OE1 3.27Å; R900-E903 IonicContact NE-OE2 3.95Å; R900-E903 IonicContact NH2-OE1 2.82Å; R900-E903 PolarHBondContact NH2-OE1 2.98Å; R900-E903 WeakPolarHBondContact O-CA 3.46Å; R900-E903 WeakPolarHBondContact O-CB 3.34Å; R900-E903 PolarHBondContact O-N 3.17Å; E901-E903 VanDerWaalsContact C-N 3.35Å; E901-E903 PolarHBondContact O-N 3.02Å; E903-L906 PolarHBondContact O-N 3.33Å; E903-L907 WeakPolarHBondContact O-CB 3.34Å; E903-L907 PolarHBondContact O-N 3.37Å |
| 904 | E | 82.1 | Confident | 80.8 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 167.7 | -68.1 | -179.5 | -161.6 | 0 | 0 | 111.2 | L899 R900 L906 L907 Y908 K930 K932 | L899-E904 HydrophobicContact CB-CG 3.86Å; L899-E904 HydrophobicContact CD1-CG 4.33Å; R900-E904 PolarHBondContact O-N 3.19Å; E904-L906 VanDerWaalsContact C-N 3.29Å; E904-L906 PolarHBondContact O-N 3.2Å; E904-L907 PolarHBondContact O-N 2.95Å; E904-Y908 HydrophobicContact CB-CD2 4.35Å; E904-Y908 HydrophobicContact CB-CE2 3.86Å; E904-Y908 WeakPolarHBondContact O-CB 3.34Å; E904-Y908 VanDerWaalsContact O-CD2 3.29Å; E904-Y908 WeakPolarHBondContact O-CD2 3.3Å; E904-Y908 PolarHBondContact O-N 3.31Å; E904-K930 HydrophobicContact CG-CD 4.47Å; E904-K930 VanDerWaalsContact OE1-CD 3.23Å; E904-K930 WeakPolarHBondContact OE1-CD 3.09Å; E904-K930 WeakPolarHBondContact OE1-CE 3.37Å; E904-K930 IonicContact OE1-NZ 3.67Å; E904-K930 PolarHBondContact OE1-NZ 3.19Å; E904-K932 IonicContact OE2-NZ 2.75Å; E904-K932 PolarHBondContact OE2-NZ 3.41Å |
| 905 | R | 81.6 | Confident | 80.5 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 42% | 0.415 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 178.1 | -67.9 | 170.1 | -167.6 | -172.7 | -0.6 | 111.3 | E901 P902 S909 E1025 | E901-R905 WeakPolarHBondContact O-CG 3.24Å; E901-R905 PolarHBondContact O-N 3.28Å; P902-R905 PolarHBondContact O-N 3.18Å; R905-S909 WeakPolarHBondContact O-CB 3.49Å; R905-S909 PolarHBondContact O-N 3.45Å; R905-E1025 IonicContact CZ-OE1 2.91Å; R905-E1025 VanDerWaalsContact CZ-OE1 3.23Å; R905-E1025 IonicContact CZ-OE2 3.2Å; R905-E1025 IonicContact NH1-OE1 2.7Å; R905-E1025 PolarHBondContact NH1-OE1 2.86Å; R905-E1025 IonicContact NH1-OE2 3.22Å; R905-E1025 IonicContact NH2-OE1 3.54Å; R905-E1025 PolarHBondContact NH2-OE1 3.45Å; R905-E1025 IonicContact NH2-OE2 3.98Å; R905-E1025 PolarHBondContact NH2-OE2 2.65Å |
| 906 | L | 83.6 | Confident | 80.5 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -53.8 | 174 | -175.2 | 62.7 | 0 | 0 | 0 | 111.2 | L878 E879 F882 P902 E903 E904 Y908 S909 L910 | L878-L906 HydrophobicContact CB-CD2 4.47Å; L878-L906 HydrophobicContact CD2-CD2 4.22Å; L878-L906 HydrophobicContact CG-CD2 4.34Å; E879-L906 HydrophobicContact CB-CD2 4.17Å; E879-L906 HydrophobicContact CG-CD1 4.1Å; F882-L906 HydrophobicContact CD2-CD2 4.16Å; F882-L906 HydrophobicContact CD2-CG 4.26Å; F882-L906 HydrophobicContact CE2-CD2 4.19Å; F882-L906 HydrophobicContact CE2-CG 4.44Å; P902-L906 PolarHBondContact O-N 3.39Å; E903-L906 PolarHBondContact O-N 3.33Å; E904-L906 VanDerWaalsContact C-N 3.29Å; E904-L906 PolarHBondContact O-N 3.2Å; L906-Y908 PolarHBondContact O-N 2.92Å; L906-S909 PolarHBondContact O-N 3.36Å; L906-S909 VanDerWaalsContact O-N 3.12Å; L906-S909 PolarHBondContact O-OG 3.26Å; L906-L910 HydrophobicContact CG-CD1 4.33Å; L906-L910 WeakPolarHBondContact O-CG 3.48Å; L906-L910 PolarHBondContact O-N 3.48Å |
| 907 | L | 85.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 179.8 | 178.6 | 60.5 | 0 | 0 | 0 | 112.7 | F882 I886 L894 L899 E903 E904 S909 L910 L911 M926 | F882-L907 HydrophobicContact CB-CD1 4.04Å; F882-L907 HydrophobicContact CD1-CD1 4.04Å; F882-L907 HydrophobicContact CD2-CB 4.05Å; F882-L907 HydrophobicContact CD2-CD1 4.33Å; F882-L907 HydrophobicContact CE2-CB 3.96Å; F882-L907 HydrophobicContact CG-CB 4.45Å; F882-L907 HydrophobicContact CG-CD1 3.91Å; F882-L907 HydrophobicContact CZ-CB 4.3Å; I886-L907 HydrophobicContact CD1-CD1 4.06Å; L894-L907 HydrophobicContact CB-CD2 4.38Å; L894-L907 HydrophobicContact CD1-CD1 4.22Å; L894-L907 HydrophobicContact CD2-CD1 4.26Å; L894-L907 HydrophobicContact CD2-CD2 4.42Å; L899-L907 HydrophobicContact CD1-CB 4.42Å; L899-L907 HydrophobicContact CD1-CD2 3.54Å; E903-L907 WeakPolarHBondContact O-CB 3.34Å; E903-L907 PolarHBondContact O-N 3.37Å; E904-L907 PolarHBondContact O-N 2.95Å; L907-S909 VanDerWaalsContact C-N 3.33Å; L907-S909 PolarHBondContact O-N 2.97Å; L907-L910 PolarHBondContact O-N 3.11Å; L907-L911 HydrophobicContact CD1-CD1 4.23Å; L907-L911 HydrophobicContact CD1-CG 4.2Å; L907-L911 HydrophobicContact CG-CD1 3.98Å; L907-L911 HydrophobicContact CG-CG 4.41Å; L907-L911 WeakPolarHBondContact O-CG 3.45Å; L907-L911 PolarHBondContact O-N 3.41Å; L907-M926 HydrophobicContact CD2-CE 3.58Å; L907-M926 HydrophobicContact CD2-SD 3.96Å |
| 908 | Y | 85.5 | Confident | 80.2 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 175.8 | -64.7 | -22.2 | 0 | 0 | 0 | 112.2 | E904 L906 L910 L911 R912 Q923 M926 L927 | E904-Y908 HydrophobicContact CB-CD2 4.35Å; E904-Y908 HydrophobicContact CB-CE2 3.86Å; E904-Y908 WeakPolarHBondContact O-CB 3.34Å; E904-Y908 VanDerWaalsContact O-CD2 3.29Å; E904-Y908 WeakPolarHBondContact O-CD2 3.3Å; E904-Y908 PolarHBondContact O-N 3.31Å; L906-Y908 PolarHBondContact O-N 2.92Å; Y908-L910 VanDerWaalsContact C-N 3.35Å; Y908-L911 HydrophobicContact CD1-CD1 4.44Å; Y908-R912 WeakPolarHBondContact O-CB 3.39Å; Y908-R912 PolarHBondContact O-N 3.03Å; Y908-R912 VanDerWaalsContact O-N 3.08Å; Y908-Q923 HydrophobicContact CD1-CG 3.93Å; Y908-Q923 HydrophobicContact CG-CG 4.38Å; Y908-Q923 PolarHBondContact O-OE1 2.82Å; Y908-M926 HydrophobicContact CE1-CB 3.91Å; Y908-L927 HydrophobicContact CD2-CD2 4.19Å; Y908-L927 HydrophobicContact CE2-CD2 3.54Å; Y908-L927 HydrophobicContact CE2-CG 4.32Å |
| 909 | S | 83.8 | Confident | 80.3 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 174 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | R905 L906 L907 Q913 | R905-S909 WeakPolarHBondContact O-CB 3.49Å; R905-S909 PolarHBondContact O-N 3.45Å; L906-S909 PolarHBondContact O-N 3.36Å; L906-S909 VanDerWaalsContact O-N 3.12Å; L906-S909 PolarHBondContact O-OG 3.26Å; L907-S909 VanDerWaalsContact C-N 3.33Å; L907-S909 PolarHBondContact O-N 2.97Å; S909-Q913 WeakPolarHBondContact O-CB 3.37Å; S909-Q913 PolarHBondContact O-N 2.99Å |
| 910 | L | 83.1 | Confident | 80.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.7 | -43.3 | 177 | -65.8 | 172.3 | 0 | 0 | 0 | 112.3 | E879 F882 R883 I886 L906 L907 Y908 R912 Q913 C914 | E879-L910 HydrophobicContact CG-CD1 3.99Å; E879-L910 HydrophobicContact CG-CD2 3.96Å; E879-L910 HydrophobicContact CG-CG 4.48Å; F882-L910 HydrophobicContact CB-CD1 3.47Å; F882-L910 VanDerWaalsContact CB-CD1 3.47Å; F882-L910 HydrophobicContact CD2-CD1 4.05Å; F882-L910 HydrophobicContact CG-CD1 4.28Å; R883-L910 HydrophobicContact CG-CD1 4.42Å; R883-L910 HydrophobicContact CG-CD2 3.98Å; R883-L910 VanDerWaalsContact NH2-CD2 3.27Å; I886-L910 HydrophobicContact CD1-CB 3.92Å; L906-L910 HydrophobicContact CG-CD1 4.33Å; L906-L910 WeakPolarHBondContact O-CG 3.48Å; L906-L910 PolarHBondContact O-N 3.48Å; L907-L910 PolarHBondContact O-N 3.11Å; Y908-L910 VanDerWaalsContact C-N 3.35Å; L910-R912 VanDerWaalsContact C-N 3.33Å; L910-R912 PolarHBondContact O-N 3.47Å; L910-Q913 WeakPolarHBondContact O-CB 3.47Å; L910-Q913 PolarHBondContact O-N 3.04Å; L910-Q913 VanDerWaalsContact O-N 3.09Å; L910-C914 PolarHBondContact O-N 2.96Å; L910-C914 VanDerWaalsContact O-N 3.08Å; L910-C914 PolarHBondContact O-SG 3.17Å; L910-C914 VanDerWaalsContact O-SG 3.4Å |
| 911 | L | 84.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 174.5 | -72.7 | 168.7 | 0 | 0 | 0 | 111.1 | I886 F891 L907 Y908 C914 T919 V922 Q923 M926 | I886-L911 HydrophobicContact CD1-CD2 3.8Å; I886-L911 HydrophobicContact CD1-CG 4.06Å; I886-L911 HydrophobicContact CG1-CD2 3.82Å; F891-L911 HydrophobicContact CD1-CD2 4.49Å; F891-L911 HydrophobicContact CE1-CD2 4.24Å; L907-L911 HydrophobicContact CD1-CD1 4.23Å; L907-L911 HydrophobicContact CD1-CG 4.2Å; L907-L911 HydrophobicContact CG-CD1 3.98Å; L907-L911 HydrophobicContact CG-CG 4.41Å; L907-L911 WeakPolarHBondContact O-CG 3.45Å; L907-L911 PolarHBondContact O-N 3.41Å; Y908-L911 HydrophobicContact CD1-CD1 4.44Å; L911-C914 PolarHBondContact O-N 2.69Å; L911-T919 HydrophobicContact CD2-CG2 3.73Å; L911-T919 PolarHBondContact O-OG1 3.03Å; L911-V922 HydrophobicContact CD1-CG1 4.33Å; L911-V922 HydrophobicContact CD2-CG1 4.39Å; L911-Q923 HydrophobicContact CB-CB 4.32Å; L911-Q923 HydrophobicContact CD1-CB 4.02Å; L911-M926 HydrophobicContact CD1-SD 4.45Å |
| 912 | R | 81.4 | Confident | 80.4 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 172.4 | -168 | 73.1 | 169.4 | -93.2 | -4.6 | 112.3 | Y908 L910 C914 R915 E942 E946 | Y908-R912 WeakPolarHBondContact O-CB 3.39Å; Y908-R912 PolarHBondContact O-N 3.03Å; Y908-R912 VanDerWaalsContact O-N 3.08Å; L910-R912 VanDerWaalsContact C-N 3.33Å; L910-R912 PolarHBondContact O-N 3.47Å; R912-C914 VanDerWaalsContact C-N 3.28Å; R912-C914 PolarHBondContact O-N 3.43Å; R912-R915 WeakPolarHBondContact O-CG 3.27Å; R912-R915 PolarHBondContact O-N 3.5Å; R912-E942 IonicContact CZ-OE2 2.82Å; R912-E942 VanDerWaalsContact CZ-OE2 3.23Å; R912-E942 IonicContact NH1-OE2 2.65Å; R912-E942 PolarHBondContact NH1-OE2 2.68Å; R912-E942 IonicContact NH2-OE2 2.69Å; R912-E942 PolarHBondContact NH2-OE2 3.12Å; R912-E946 IonicContact CZ-OE1 2.65Å; R912-E946 IonicContact NE-OE1 2.84Å; R912-E946 PolarHBondContact NE-OE1 3.25Å; R912-E946 IonicContact NH2-OE1 3.14Å; R912-E946 PolarHBondContact NH2-OE1 3.22Å |
| 913 | Q | 81.2 | Confident | 80.8 | Confident | 123 Ų | 123 | 50.6 Ų | 50.6 | 58% | 0.575 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.9 | -34.3 | 177.4 | -169.2 | 177.1 | 27.4 | 0 | 0 | 112.3 | S909 L910 R915 | S909-Q913 WeakPolarHBondContact O-CB 3.37Å; S909-Q913 PolarHBondContact O-N 2.99Å; L910-Q913 WeakPolarHBondContact O-CB 3.47Å; L910-Q913 PolarHBondContact O-N 3.04Å; L910-Q913 VanDerWaalsContact O-N 3.09Å; Q913-R915 VanDerWaalsContact C-N 3.34Å; Q913-R915 PolarHBondContact O-N 3.2Å |
| 914 | C | 75.3 | Confident | 80.7 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 41% | 0.412 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.7 | 179.1 | -67.1 | 0 | 0 | 0 | 0 | 114.8 | I886 L910 L911 R912 S916 T919 | I886-C914 HydrophobicContact CG2-CB 4.28Å; L910-C914 PolarHBondContact O-N 2.96Å; L910-C914 VanDerWaalsContact O-N 3.08Å; L910-C914 PolarHBondContact O-SG 3.17Å; L910-C914 VanDerWaalsContact O-SG 3.4Å; L911-C914 PolarHBondContact O-N 2.69Å; R912-C914 VanDerWaalsContact C-N 3.28Å; R912-C914 PolarHBondContact O-N 3.43Å; C914-S916 PolarHBondContact O-N 3.46Å; C914-T919 HydrophobicContact CB-CG2 4.12Å |
| 915 | R | 71.9 | Confident | 80.5 | Confident | 180 Ų | 180 | 54.7 Ų | 54.7 | 68% | 0.679 | 26% | 0.263 | S | S | * | . | trans | 54.5 | 11 | 170.4 | -71.7 | -176.6 | 152 | 178.7 | -7.2 | 117.9 | R912 Q913 E946 R947 | R912-R915 WeakPolarHBondContact O-CG 3.27Å; R912-R915 PolarHBondContact O-N 3.5Å; Q913-R915 VanDerWaalsContact C-N 3.34Å; Q913-R915 PolarHBondContact O-N 3.2Å; R915-E946 IonicContact NH2-OE2 2.68Å; R915-R947 PolarHBondContact O-NH2 3.01Å | ||
| 916 | S | 76.7 | Confident | 80.4 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | trans | -85.6 | 146.4 | -178.2 | 83.9 | 0 | 0 | 0 | 0 | 112 | C914 Q918 T919 D920 | C914-S916 PolarHBondContact O-N 3.46Å; S916-Q918 PolarHBondContact O-N 3.01Å; S916-Q918 VanDerWaalsContact O-N 3.17Å; S916-T919 PolarHBondContact N-OG1 2.94Å; S916-T919 PolarHBondContact O-N 3.34Å; S916-T919 VanDerWaalsContact O-N 3.13Å; S916-T919 PolarHBondContact O-OG1 2.98Å; S916-T919 WeakPolarHBondContact OG-CB 3.48Å; S916-T919 WeakPolarHBondContact OG-CG2 3.18Å; S916-T919 PolarHBondContact OG-N 3.39Å; S916-T919 PolarHBondContact OG-OG1 3.49Å; S916-D920 VanDerWaalsContact O-CG 3.25Å; S916-D920 PolarHBondContact O-N 3.3Å; S916-D920 VanDerWaalsContact O-N 3.11Å | ||
| 917 | R | 75.9 | Confident | 80.3 | Confident | 135 Ų | 135 | 47.9 Ų | 47.9 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.4 | -34.6 | 175.7 | -170.6 | 176.7 | -173 | 160.1 | 3.4 | 112.2 | C921 D950 S952 | R917-C921 PolarHBondContact O-N 3.46Å; R917-C921 VanDerWaalsContact O-N 3.09Å; R917-C921 PolarHBondContact O-SG 2.87Å; R917-D950 IonicContact CZ-OD2 3.13Å; R917-D950 IonicContact NH1-OD2 2.71Å; R917-D950 PolarHBondContact NH1-OD2 3.22Å; R917-D950 IonicContact NH2-OD2 3.79Å; R917-S952 PolarHBondContact NH2-OG 2.77Å |
| 918 | Q | 74.6 | Confident | 79.8 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -43 | 178.7 | -162.2 | 170.8 | 17.1 | 0 | 0 | 111.9 | F891 S916 D920 C921 V922 | F891-Q918 HydrophobicContact CD2-CG 4.36Å; F891-Q918 HydrophobicContact CE2-CG 3.81Å; S916-Q918 PolarHBondContact O-N 3.01Å; S916-Q918 VanDerWaalsContact O-N 3.17Å; Q918-D920 VanDerWaalsContact C-N 3.34Å; Q918-D920 PolarHBondContact O-N 3.03Å; Q918-C921 PolarHBondContact O-N 3.47Å; Q918-V922 VanDerWaalsContact O-CG2 3.23Å; Q918-V922 WeakPolarHBondContact O-CG2 3.42Å; Q918-V922 PolarHBondContact O-N 2.67Å |
| 919 | T | 81.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 176 | 45.6 | 0 | 0 | 0 | 0 | 112.5 | I886 F891 L911 C914 S916 V922 Q923 | I886-T919 HydrophobicContact CG2-CG2 3.8Å; F891-T919 HydrophobicContact CE1-CG2 3.82Å; F891-T919 HydrophobicContact CZ-CG2 3.87Å; L911-T919 HydrophobicContact CD2-CG2 3.73Å; L911-T919 PolarHBondContact O-OG1 3.03Å; C914-T919 HydrophobicContact CB-CG2 4.12Å; S916-T919 PolarHBondContact N-OG1 2.94Å; S916-T919 PolarHBondContact O-N 3.34Å; S916-T919 VanDerWaalsContact O-N 3.13Å; S916-T919 PolarHBondContact O-OG1 2.98Å; S916-T919 WeakPolarHBondContact OG-CB 3.48Å; S916-T919 WeakPolarHBondContact OG-CG2 3.18Å; S916-T919 PolarHBondContact OG-N 3.39Å; S916-T919 PolarHBondContact OG-OG1 3.49Å; T919-V922 PolarHBondContact O-N 3.31Å; T919-Q923 WeakPolarHBondContact O-CB 3.37Å; T919-Q923 PolarHBondContact O-N 3.38Å |
| 920 | D | 81 | Confident | 79 | Confident | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.4 | -40.7 | 177.4 | -48.2 | -46 | 0 | 0 | 0 | 112.2 | S916 Q918 V922 Q923 L924 F939 V943 R947 | S916-D920 VanDerWaalsContact O-CG 3.25Å; S916-D920 PolarHBondContact O-N 3.3Å; S916-D920 VanDerWaalsContact O-N 3.11Å; Q918-D920 VanDerWaalsContact C-N 3.34Å; Q918-D920 PolarHBondContact O-N 3.03Å; D920-V922 VanDerWaalsContact C-N 3.25Å; D920-V922 PolarHBondContact O-N 3.33Å; D920-Q923 PolarHBondContact O-N 3.4Å; D920-L924 WeakPolarHBondContact O-CB 3.43Å; D920-L924 PolarHBondContact O-N 2.86Å; D920-F939 HydrophobicContact CB-CE1 4.2Å; D920-F939 HydrophobicContact CB-CZ 3.86Å; D920-F939 WeakPolarHBondContact O-CE1 3.23Å; D920-V943 HydrophobicContact CB-CG1 4.44Å; D920-R947 IonicContact OD2-CZ 3.81Å; D920-R947 IonicContact OD2-NH1 3.59Å; D920-R947 PolarHBondContact OD2-NH1 3.49Å; D920-R947 IonicContact OD2-NH2 2.85Å; D920-R947 PolarHBondContact OD2-NH2 3.46Å |
| 921 | C | 79.1 | Confident | 78.7 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 40% | 0.399 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -39.3 | 172.4 | -70 | 0 | 0 | 0 | 0 | 111.2 | R917 Q918 I925 | R917-C921 PolarHBondContact O-N 3.46Å; R917-C921 VanDerWaalsContact O-N 3.09Å; R917-C921 PolarHBondContact O-SG 2.87Å; Q918-C921 PolarHBondContact O-N 3.47Å; C921-I925 WeakPolarHBondContact O-CB 3.29Å; C921-I925 WeakPolarHBondContact O-CD1 3.42Å; C921-I925 WeakPolarHBondContact O-CG1 3.39Å; C921-I925 PolarHBondContact O-N 2.73Å |
| 922 | V | 80.8 | Confident | 78.3 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -46.8 | 175 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | F891 L911 Q918 T919 D920 L924 I925 M926 | F891-V922 HydrophobicContact CB-CB 4.41Å; F891-V922 HydrophobicContact CB-CG1 3.9Å; F891-V922 HydrophobicContact CB-CG2 3.59Å; F891-V922 HydrophobicContact CD1-CB 4.32Å; F891-V922 HydrophobicContact CD1-CG1 3.92Å; F891-V922 HydrophobicContact CD1-CG2 3.96Å; F891-V922 HydrophobicContact CD2-CG2 3.84Å; F891-V922 HydrophobicContact CG-CB 4.34Å; F891-V922 HydrophobicContact CG-CG1 4.11Å; F891-V922 HydrophobicContact CG-CG2 3.52Å; L911-V922 HydrophobicContact CD1-CG1 4.33Å; L911-V922 HydrophobicContact CD2-CG1 4.39Å; Q918-V922 VanDerWaalsContact O-CG2 3.23Å; Q918-V922 WeakPolarHBondContact O-CG2 3.42Å; Q918-V922 PolarHBondContact O-N 2.67Å; T919-V922 PolarHBondContact O-N 3.31Å; D920-V922 VanDerWaalsContact C-N 3.25Å; D920-V922 PolarHBondContact O-N 3.33Å; V922-L924 VanDerWaalsContact C-N 3.32Å; V922-L924 PolarHBondContact O-N 2.82Å; V922-I925 PolarHBondContact O-N 3.11Å; V922-M926 HydrophobicContact CG1-CG 4.5Å; V922-M926 HydrophobicContact CG1-SD 4.21Å; V922-M926 WeakPolarHBondContact O-CG 3.43Å; V922-M926 PolarHBondContact O-N 3.33Å |
| 923 | Q | 84.4 | Confident | 77.8 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 177 | -179.8 | 164.7 | -9 | 0 | 0 | 111.7 | Y908 L911 T919 D920 M926 L927 F939 | Y908-Q923 HydrophobicContact CD1-CG 3.93Å; Y908-Q923 HydrophobicContact CG-CG 4.38Å; Y908-Q923 PolarHBondContact O-OE1 2.82Å; L911-Q923 HydrophobicContact CB-CB 4.32Å; L911-Q923 HydrophobicContact CD1-CB 4.02Å; T919-Q923 WeakPolarHBondContact O-CB 3.37Å; T919-Q923 PolarHBondContact O-N 3.38Å; D920-Q923 PolarHBondContact O-N 3.4Å; Q923-M926 PolarHBondContact O-N 2.92Å; Q923-L927 HydrophobicContact CG-CD1 4.2Å; Q923-L927 WeakPolarHBondContact O-CG 3.3Å; Q923-L927 PolarHBondContact O-N 2.98Å; Q923-F939 HydrophobicContact CB-CE1 4.12Å; Q923-F939 HydrophobicContact CB-CE2 4.33Å; Q923-F939 HydrophobicContact CB-CZ 3.77Å; Q923-F939 HydrophobicContact CG-CD2 4.28Å; Q923-F939 HydrophobicContact CG-CE1 4.11Å; Q923-F939 HydrophobicContact CG-CE2 3.81Å; Q923-F939 HydrophobicContact CG-CZ 3.72Å; Q923-F939 VanDerWaalsContact NE2-CE2 3.31Å |
| 924 | L | 80.8 | Confident | 77.4 | Confident | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | 173.1 | 179.5 | 58.6 | 0 | 0 | 0 | 111.5 | D920 V922 M926 L927 L928 A936 F939 M940 I956 | D920-L924 WeakPolarHBondContact O-CB 3.43Å; D920-L924 PolarHBondContact O-N 2.86Å; V922-L924 VanDerWaalsContact C-N 3.32Å; V922-L924 PolarHBondContact O-N 2.82Å; L924-M926 VanDerWaalsContact C-N 3.31Å; L924-M926 PolarHBondContact O-N 3.47Å; L924-L927 PolarHBondContact O-N 2.9Å; L924-L928 HydrophobicContact CD1-CD1 4.22Å; L924-L928 HydrophobicContact CD1-CG 4.24Å; L924-L928 HydrophobicContact CG-CD1 4Å; L924-L928 HydrophobicContact CG-CG 4.47Å; L924-L928 WeakPolarHBondContact O-CB 3.37Å; L924-L928 WeakPolarHBondContact O-CG 3.29Å; L924-L928 PolarHBondContact O-N 3.36Å; L924-A936 HydrophobicContact CD1-CB 4.03Å; L924-F939 HydrophobicContact CB-CD1 4.45Å; L924-F939 HydrophobicContact CB-CE1 4.24Å; L924-M940 HydrophobicContact CD1-CG 3.91Å; L924-M940 HydrophobicContact CD1-SD 4.07Å; L924-M940 HydrophobicContact CD2-CG 4Å; L924-M940 HydrophobicContact CD2-SD 3.76Å; L924-I956 HydrophobicContact CD2-CG2 4.3Å |
| 925 | I | 79.3 | Confident | 77.3 | Confident | 91 Ų | 91 | 57.8 Ų | 57.8 | 47% | 0.467 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | 177.3 | -72.2 | 163.1 | 0 | 0 | 0 | 111.6 | C921 V922 L928 Q929 | C921-I925 WeakPolarHBondContact O-CB 3.29Å; C921-I925 WeakPolarHBondContact O-CD1 3.42Å; C921-I925 WeakPolarHBondContact O-CG1 3.39Å; C921-I925 PolarHBondContact O-N 2.73Å; V922-I925 PolarHBondContact O-N 3.11Å; I925-L928 WeakPolarHBondContact O-CB 3.46Å; I925-L928 PolarHBondContact O-N 2.79Å; I925-Q929 HydrophobicContact CG2-CG 4.45Å; I925-Q929 WeakPolarHBondContact O-CB 3.46Å; I925-Q929 WeakPolarHBondContact O-CG 3.23Å; I925-Q929 PolarHBondContact O-N 3.42Å |
| 926 | M | 78.7 | Confident | 77.4 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.5 | -41.7 | 178.1 | -68.9 | -174.7 | 72.2 | 0 | 0 | 112.5 | L894 A895 L899 L907 Y908 L911 V922 Q923 L924 L928 Q929 K930 | L894-M926 WeakPolarHBondContact O-CE 3.36Å; A895-M926 HydrophobicContact CB-CG 4.38Å; L899-M926 HydrophobicContact CD1-CE 4.13Å; L907-M926 HydrophobicContact CD2-CE 3.58Å; L907-M926 HydrophobicContact CD2-SD 3.96Å; Y908-M926 HydrophobicContact CE1-CB 3.91Å; L911-M926 HydrophobicContact CD1-SD 4.45Å; V922-M926 HydrophobicContact CG1-CG 4.5Å; V922-M926 HydrophobicContact CG1-SD 4.21Å; V922-M926 WeakPolarHBondContact O-CG 3.43Å; V922-M926 PolarHBondContact O-N 3.33Å; Q923-M926 PolarHBondContact O-N 2.92Å; L924-M926 VanDerWaalsContact C-N 3.31Å; L924-M926 PolarHBondContact O-N 3.47Å; M926-L928 VanDerWaalsContact C-N 3.31Å; M926-L928 PolarHBondContact O-N 3.3Å; M926-Q929 PolarHBondContact O-N 3.1Å; M926-K930 WeakPolarHBondContact O-CG 3.18Å; M926-K930 PolarHBondContact O-N 3.38Å |
| 927 | L | 80.9 | Confident | 77.2 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.5 | -38.6 | 173.5 | -71.2 | 168.7 | 0 | 0 | 0 | 111.8 | Y908 Q923 L924 K930 S931 K932 E935 A936 F939 | Y908-L927 HydrophobicContact CD2-CD2 4.19Å; Y908-L927 HydrophobicContact CE2-CD2 3.54Å; Y908-L927 HydrophobicContact CE2-CG 4.32Å; Q923-L927 HydrophobicContact CG-CD1 4.2Å; Q923-L927 WeakPolarHBondContact O-CG 3.3Å; Q923-L927 PolarHBondContact O-N 2.98Å; L924-L927 PolarHBondContact O-N 2.9Å; L927-K930 CarbonylContact O-C 3.59Å; L927-K930 PolarHBondContact O-N 3.03Å; L927-S931 PolarHBondContact O-N 3.04Å; L927-S931 VanDerWaalsContact O-N 3.16Å; L927-K932 HydrophobicContact CD2-CB 3.93Å; L927-K932 HydrophobicContact CD2-CD 4.24Å; L927-K932 PolarHBondContact O-N 3.45Å; L927-E935 HydrophobicContact CD2-CB 4.08Å; L927-A936 HydrophobicContact CB-CB 4.12Å; L927-F939 HydrophobicContact CD1-CB 4.18Å; L927-F939 HydrophobicContact CD1-CD1 4.45Å; L927-F939 HydrophobicContact CD1-CG 4.28Å |
| 928 | L | 76.4 | Confident | 77.1 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -49.1 | 174.2 | -70.6 | 169.6 | 0 | 0 | 0 | 112.2 | L924 I925 M926 K930 S931 Y960 | L924-L928 HydrophobicContact CD1-CD1 4.22Å; L924-L928 HydrophobicContact CD1-CG 4.24Å; L924-L928 HydrophobicContact CG-CD1 4Å; L924-L928 HydrophobicContact CG-CG 4.47Å; L924-L928 WeakPolarHBondContact O-CB 3.37Å; L924-L928 WeakPolarHBondContact O-CG 3.29Å; L924-L928 PolarHBondContact O-N 3.36Å; I925-L928 WeakPolarHBondContact O-CB 3.46Å; I925-L928 PolarHBondContact O-N 2.79Å; M926-L928 VanDerWaalsContact C-N 3.31Å; M926-L928 PolarHBondContact O-N 3.3Å; L928-K930 PolarHBondContact O-N 2.89Å; L928-S931 PolarHBondContact O-N 3.18Å; L928-Y960 HydrophobicContact CD2-CD2 3.57Å; L928-Y960 HydrophobicContact CD2-CE2 3.39Å |
| 929 | Q | 77.3 | Confident | 77.3 | Confident | 128 Ų | 128 | 38.5 Ų | 38.5 | 60% | 0.598 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -58.8 | -31.8 | 177.4 | -78.4 | 176.3 | -34.6 | 0 | 0 | 112.6 | I925 M926 | I925-Q929 HydrophobicContact CG2-CG 4.45Å; I925-Q929 WeakPolarHBondContact O-CB 3.46Å; I925-Q929 WeakPolarHBondContact O-CG 3.23Å; I925-Q929 PolarHBondContact O-N 3.42Å; M926-Q929 PolarHBondContact O-N 3.1Å |
| 930 | K | 74.5 | Confident | 76.9 | Confident | 63 Ų | 63 | 39.4 Ų | 39.4 | 27% | 0.274 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 10.3 | 177.1 | -63.4 | -171.2 | 171.6 | -171.6 | 0 | 113.8 | E904 M926 L927 L928 K932 | E904-K930 HydrophobicContact CG-CD 4.47Å; E904-K930 VanDerWaalsContact OE1-CD 3.23Å; E904-K930 WeakPolarHBondContact OE1-CD 3.09Å; E904-K930 WeakPolarHBondContact OE1-CE 3.37Å; E904-K930 IonicContact OE1-NZ 3.67Å; E904-K930 PolarHBondContact OE1-NZ 3.19Å; M926-K930 WeakPolarHBondContact O-CG 3.18Å; M926-K930 PolarHBondContact O-N 3.38Å; L927-K930 CarbonylContact O-C 3.59Å; L927-K930 PolarHBondContact O-N 3.03Å; L928-K930 PolarHBondContact O-N 2.89Å; K930-K932 HydrophobicContact CB-CG 4.48Å; K930-K932 PolarHBondContact O-N 3.4Å; K930-K932 VanDerWaalsContact O-N 3.13Å |
| 931 | S | 76 | Confident | 76.5 | Confident | 78 Ų | 78 | 40.8 Ų | 40.8 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 23.4 | 177.4 | 65.5 | 0 | 0 | 0 | 0 | 115.5 | L927 L928 F933 | L927-S931 PolarHBondContact O-N 3.04Å; L927-S931 VanDerWaalsContact O-N 3.16Å; L928-S931 PolarHBondContact O-N 3.18Å; S931-F933 WeakPolarHBondContact O-CD2 3.44Å; S931-F933 WeakPolarHBondContact O-CE2 3.43Å; S931-F933 PolarHBondContact O-N 2.85Å |
| 932 | K | 77.3 | Confident | 76.3 | Confident | 36 Ų | 36 | 42 Ų | 42 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | trans | -82 | 62.1 | -179.6 | -74.6 | -179.6 | 167.2 | -177.5 | 0 | 110.8 | E901 E904 L927 K930 I934 E935 A936 | E901-K932 IonicContact OE1-NZ 2.67Å; E901-K932 PolarHBondContact OE1-NZ 3.13Å; E904-K932 IonicContact OE2-NZ 2.75Å; E904-K932 PolarHBondContact OE2-NZ 3.41Å; L927-K932 HydrophobicContact CD2-CB 3.93Å; L927-K932 HydrophobicContact CD2-CD 4.24Å; L927-K932 PolarHBondContact O-N 3.45Å; K930-K932 HydrophobicContact CB-CG 4.48Å; K930-K932 PolarHBondContact O-N 3.4Å; K930-K932 VanDerWaalsContact O-N 3.13Å; K932-I934 PolarHBondContact O-N 3.37Å; K932-E935 HydrophobicContact CB-CB 4.31Å; K932-E935 WeakPolarHBondContact CD-OE1 3.41Å; K932-E935 WeakPolarHBondContact CG-OE1 3.5Å; K932-E935 PolarHBondContact O-N 3.12Å; K932-A936 WeakPolarHBondContact O-CB 3.03Å; K932-A936 PolarHBondContact O-N 3.46Å | ||
| 933 | F | 70.3 | Confident | 75.9 | Confident | 54 Ų | 54 | 42.1 Ų | 42.1 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63 | -33.4 | -167.8 | -64.1 | -65.3 | 0 | 0 | 0 | 114.9 | S931 V937 Y960 M964 T968 | S931-F933 WeakPolarHBondContact O-CD2 3.44Å; S931-F933 WeakPolarHBondContact O-CE2 3.43Å; S931-F933 PolarHBondContact O-N 2.85Å; F933-V937 WeakPolarHBondContact O-CG2 3.44Å; F933-V937 PolarHBondContact O-N 2.93Å; F933-Y960 VanDerWaalsContact C-OH 3.29Å; F933-Y960 WeakPolarHBondContact CA-OH 3.27Å; F933-Y960 VanDerWaalsContact CB-OH 3.23Å; F933-Y960 WeakPolarHBondContact CB-OH 2.97Å; F933-Y960 AromaticContact CD1-CE2 3.97Å; F933-Y960 HydrophobicContact CD1-CE2 3.97Å; F933-Y960 WeakPolarHBondContact CD1-OH 3.15Å; F933-Y960 PolarHBondContact O-OH 3.16Å; F933-M964 HydrophobicContact CB-SD 4.1Å; F933-M964 HydrophobicContact CD1-CG 3.85Å; F933-M964 HydrophobicContact CD1-SD 4.37Å; F933-M964 HydrophobicContact CE1-CG 4.22Å; F933-M964 HydrophobicContact CG-CG 4.25Å; F933-M964 HydrophobicContact CG-SD 4.35Å; F933-T968 HydrophobicContact CB-CG2 3.96Å; F933-T968 HydrophobicContact CD2-CG2 3.65Å; F933-T968 HydrophobicContact CE2-CG2 4.38Å; F933-T968 HydrophobicContact CG-CG2 3.95Å |
| 934 | I | 72.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 22% | 0.221 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.4 | -43.3 | 179.4 | -60.6 | 177 | 0 | 0 | 0 | 110 | K932 A936 V937 S938 I971 Y975 A1018 | K932-I934 PolarHBondContact O-N 3.37Å; I934-A936 PolarHBondContact O-N 2.93Å; I934-V937 PolarHBondContact O-N 3.32Å; I934-S938 PolarHBondContact O-N 3.2Å; I934-S938 PolarHBondContact O-OG 2.94Å; I934-I971 HydrophobicContact CD1-CG2 4.27Å; I934-Y975 HydrophobicContact CG2-CD1 3.95Å; I934-Y975 HydrophobicContact CG2-CE1 3.83Å; I934-A1018 HydrophobicContact CD1-CB 3.94Å |
| 935 | E | 74.2 | Confident | 74.7 | Confident | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -39 | 175.1 | -65 | 164.4 | -112.7 | 0 | 0 | 111.9 | L927 K932 V937 S938 F939 | L927-E935 HydrophobicContact CD2-CB 4.08Å; K932-E935 HydrophobicContact CB-CB 4.31Å; K932-E935 WeakPolarHBondContact CD-OE1 3.41Å; K932-E935 WeakPolarHBondContact CG-OE1 3.5Å; K932-E935 PolarHBondContact O-N 3.12Å; E935-V937 VanDerWaalsContact C-N 3.31Å; E935-V937 PolarHBondContact O-N 3.33Å; E935-S938 PolarHBondContact O-N 3.1Å; E935-S938 PolarHBondContact O-OG 3.19Å; E935-F939 WeakPolarHBondContact O-CB 3.44Å; E935-F939 PolarHBondContact O-N 2.79Å |
| 936 | A | 73.6 | Confident | 74.2 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -37.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L924 L927 K932 I934 M940 Y960 | L924-A936 HydrophobicContact CD1-CB 4.03Å; L927-A936 HydrophobicContact CB-CB 4.12Å; K932-A936 WeakPolarHBondContact O-CB 3.03Å; K932-A936 PolarHBondContact O-N 3.46Å; I934-A936 PolarHBondContact O-N 2.93Å; A936-M940 WeakPolarHBondContact O-CB 3.29Å; A936-M940 WeakPolarHBondContact O-CG 3.5Å; A936-M940 PolarHBondContact O-N 2.9Å; A936-Y960 HydrophobicContact CB-CE2 4.44Å |
| 937 | V | 71.4 | Confident | 73.6 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.7 | -48 | 176.7 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | F933 I934 E935 F939 M940 D941 Y960 L976 | F933-V937 WeakPolarHBondContact O-CG2 3.44Å; F933-V937 PolarHBondContact O-N 2.93Å; I934-V937 PolarHBondContact O-N 3.32Å; E935-V937 VanDerWaalsContact C-N 3.31Å; E935-V937 PolarHBondContact O-N 3.33Å; V937-F939 VanDerWaalsContact C-N 3.3Å; V937-F939 PolarHBondContact O-N 2.92Å; V937-M940 PolarHBondContact O-N 2.82Å; V937-D941 PolarHBondContact O-N 3.39Å; V937-Y960 HydrophobicContact CG2-CD1 4.18Å; V937-Y960 HydrophobicContact CG2-CE1 3.25Å; V937-L976 HydrophobicContact CG1-CD1 4.18Å; V937-L976 HydrophobicContact CG1-CD2 3.82Å; V937-L976 HydrophobicContact CG1-CG 4.23Å |
| 938 | S | 75.6 | Confident | 72.3 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.2 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | I934 E935 M940 D941 E942 | I934-S938 PolarHBondContact O-N 3.2Å; I934-S938 PolarHBondContact O-OG 2.94Å; E935-S938 PolarHBondContact O-N 3.1Å; E935-S938 PolarHBondContact O-OG 3.19Å; S938-M940 PolarHBondContact O-N 3.21Å; S938-D941 PolarHBondContact O-N 3.36Å; S938-E942 WeakPolarHBondContact O-CB 3.36Å; S938-E942 WeakPolarHBondContact O-CG 3.4Å; S938-E942 PolarHBondContact O-N 3.03Å |
| 939 | F | 77.6 | Confident | 71.1 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 4% | 0.044 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.6 | -45.5 | 172.8 | 177.4 | -102.1 | 0 | 0 | 0 | 112.6 | D920 Q923 L924 L927 E935 V937 V943 | D920-F939 HydrophobicContact CB-CE1 4.2Å; D920-F939 HydrophobicContact CB-CZ 3.86Å; D920-F939 WeakPolarHBondContact O-CE1 3.23Å; Q923-F939 HydrophobicContact CB-CE1 4.12Å; Q923-F939 HydrophobicContact CB-CE2 4.33Å; Q923-F939 HydrophobicContact CB-CZ 3.77Å; Q923-F939 HydrophobicContact CG-CD2 4.28Å; Q923-F939 HydrophobicContact CG-CE1 4.11Å; Q923-F939 HydrophobicContact CG-CE2 3.81Å; Q923-F939 HydrophobicContact CG-CZ 3.72Å; Q923-F939 VanDerWaalsContact NE2-CE2 3.31Å; L924-F939 HydrophobicContact CB-CD1 4.45Å; L924-F939 HydrophobicContact CB-CE1 4.24Å; L927-F939 HydrophobicContact CD1-CB 4.18Å; L927-F939 HydrophobicContact CD1-CD1 4.45Å; L927-F939 HydrophobicContact CD1-CG 4.28Å; E935-F939 WeakPolarHBondContact O-CB 3.44Å; E935-F939 PolarHBondContact O-N 2.79Å; V937-F939 VanDerWaalsContact C-N 3.3Å; V937-F939 PolarHBondContact O-N 2.92Å; F939-V943 HydrophobicContact CD2-CG2 4.28Å; F939-V943 HydrophobicContact CE1-CG2 4.12Å; F939-V943 HydrophobicContact CE2-CG2 3.85Å; F939-V943 HydrophobicContact CZ-CG2 3.76Å; F939-V943 WeakPolarHBondContact O-CB 3.25Å; F939-V943 VanDerWaalsContact O-CG2 3.29Å; F939-V943 WeakPolarHBondContact O-CG2 3.45Å; F939-V943 PolarHBondContact O-N 3.46Å |
| 940 | M | 74.1 | Confident | 69.8 | Low | 22 Ų | 22 | 65 Ų | 65 | 11% | 0.108 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -44 | 176.2 | -83.9 | -163.7 | 72.4 | 0 | 0 | 113 | L924 A936 V937 S938 E942 V943 A944 I956 L957 | L924-M940 HydrophobicContact CD1-CG 3.91Å; L924-M940 HydrophobicContact CD1-SD 4.07Å; L924-M940 HydrophobicContact CD2-CG 4Å; L924-M940 HydrophobicContact CD2-SD 3.76Å; A936-M940 WeakPolarHBondContact O-CB 3.29Å; A936-M940 WeakPolarHBondContact O-CG 3.5Å; A936-M940 PolarHBondContact O-N 2.9Å; V937-M940 PolarHBondContact O-N 2.82Å; S938-M940 PolarHBondContact O-N 3.21Å; M940-E942 VanDerWaalsContact C-N 3.35Å; M940-V943 PolarHBondContact O-N 3.2Å; M940-A944 VanDerWaalsContact O-CB 3.26Å; M940-A944 WeakPolarHBondContact O-CB 3.12Å; M940-A944 PolarHBondContact O-N 2.94Å; M940-I956 HydrophobicContact CE-CB 3.74Å; M940-I956 HydrophobicContact CE-CG2 3.53Å; M940-I956 HydrophobicContact SD-CG2 3.78Å; M940-L957 HydrophobicContact CE-CD2 4.43Å; M940-L957 HydrophobicContact CE-CG 3.91Å; M940-L957 HydrophobicContact SD-CD2 4.34Å; M940-L957 HydrophobicContact SD-CG 4.44Å |
| 941 | D | 70.9 | Confident | 68.9 | Low | 39 Ų | 39 | 70 Ų | 70 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.1 | -77.6 | 1 | 0 | 0 | 0 | 111.1 | V937 S938 A944 A945 R979 | V937-D941 PolarHBondContact O-N 3.39Å; S938-D941 PolarHBondContact O-N 3.36Å; D941-A944 PolarHBondContact O-N 3.42Å; D941-A945 WeakPolarHBondContact O-CB 3.12Å; D941-A945 PolarHBondContact O-N 3.08Å; D941-R979 IonicContact OD2-CZ 3.62Å; D941-R979 VanDerWaalsContact OD2-CZ 3.22Å; D941-R979 IonicContact OD2-NH1 2.75Å; D941-R979 PolarHBondContact OD2-NH1 3.18Å; D941-R979 IonicContact OD2-NH2 2.89Å; D941-R979 PolarHBondContact OD2-NH2 3.08Å |
| 942 | E | 75.1 | Confident | 67.8 | Low | 83 Ų | 83 | 68.7 Ų | 68.7 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.5 | -72 | 167 | -139.5 | 0 | 0 | 112 | R912 S938 M940 A944 A945 E946 | R912-E942 IonicContact CZ-OE2 2.82Å; R912-E942 VanDerWaalsContact CZ-OE2 3.23Å; R912-E942 IonicContact NH1-OE2 2.65Å; R912-E942 PolarHBondContact NH1-OE2 2.68Å; R912-E942 IonicContact NH2-OE2 2.69Å; R912-E942 PolarHBondContact NH2-OE2 3.12Å; S938-E942 WeakPolarHBondContact O-CB 3.36Å; S938-E942 WeakPolarHBondContact O-CG 3.4Å; S938-E942 PolarHBondContact O-N 3.03Å; M940-E942 VanDerWaalsContact C-N 3.35Å; E942-A944 VanDerWaalsContact C-N 3.3Å; E942-A944 PolarHBondContact O-N 3.08Å; E942-A945 PolarHBondContact O-N 3.07Å; E942-E946 WeakPolarHBondContact O-CB 3.46Å; E942-E946 WeakPolarHBondContact O-CG 3.23Å; E942-E946 PolarHBondContact O-N 3.25Å |
| 943 | V | 73.1 | Confident | 66.6 | Low | 22 Ų | 22 | 68.8 Ų | 68.8 | 13% | 0.133 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.2 | -31.5 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | D920 F939 M940 R947 | D920-V943 HydrophobicContact CB-CG1 4.44Å; F939-V943 HydrophobicContact CD2-CG2 4.28Å; F939-V943 HydrophobicContact CE1-CG2 4.12Å; F939-V943 HydrophobicContact CE2-CG2 3.85Å; F939-V943 HydrophobicContact CZ-CG2 3.76Å; F939-V943 WeakPolarHBondContact O-CB 3.25Å; F939-V943 VanDerWaalsContact O-CG2 3.29Å; F939-V943 WeakPolarHBondContact O-CG2 3.45Å; F939-V943 PolarHBondContact O-N 3.46Å; M940-V943 PolarHBondContact O-N 3.2Å; V943-R947 WeakPolarHBondContact O-CB 3.48Å; V943-R947 WeakPolarHBondContact O-CG 3.04Å; V943-R947 PolarHBondContact O-N 3.27Å |
| 944 | A | 68.8 | Low | 65.9 | Low | 43 Ų | 43 | 71.6 Ų | 71.6 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.7 | -42.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M940 D941 E942 R947 | M940-A944 VanDerWaalsContact O-CB 3.26Å; M940-A944 WeakPolarHBondContact O-CB 3.12Å; M940-A944 PolarHBondContact O-N 2.94Å; D941-A944 PolarHBondContact O-N 3.42Å; E942-A944 VanDerWaalsContact C-N 3.3Å; E942-A944 PolarHBondContact O-N 3.08Å; A944-R947 CarbonylContact O-C 3.59Å; A944-R947 VanDerWaalsContact O-C 3.27Å; A944-R947 PolarHBondContact O-N 2.89Å |
| 945 | A | 70.7 | Confident | 65.2 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 60% | 0.603 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -66.3 | -34.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D941 E942 R947 | D941-A945 WeakPolarHBondContact O-CB 3.12Å; D941-A945 PolarHBondContact O-N 3.08Å; E942-A945 PolarHBondContact O-N 3.07Å; A945-R947 PolarHBondContact O-N 3.36Å |
| 946 | E | 68.2 | Low | 64.5 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 48% | 0.477 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -11.2 | 170.8 | -74.9 | -173.1 | -122.9 | 0 | 0 | 113.1 | R912 R915 E942 | R912-E946 IonicContact CZ-OE1 2.65Å; R912-E946 IonicContact NE-OE1 2.84Å; R912-E946 PolarHBondContact NE-OE1 3.25Å; R912-E946 IonicContact NH2-OE1 3.14Å; R912-E946 PolarHBondContact NH2-OE1 3.22Å; R915-E946 IonicContact NH2-OE2 2.68Å; E942-E946 WeakPolarHBondContact O-CB 3.46Å; E942-E946 WeakPolarHBondContact O-CG 3.23Å; E942-E946 PolarHBondContact O-N 3.25Å |
| 947 | R | 66.4 | Low | 63.8 | Low | 88 Ų | 88 | 76.8 Ų | 76.8 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 57.2 | -171.5 | -64.3 | -173.8 | 171.9 | 146.4 | 3.1 | 114.7 | R915 D920 V943 A944 A945 R949 | R915-R947 PolarHBondContact O-NH2 3.01Å; D920-R947 IonicContact OD2-CZ 3.81Å; D920-R947 IonicContact OD2-NH1 3.59Å; D920-R947 PolarHBondContact OD2-NH1 3.49Å; D920-R947 IonicContact OD2-NH2 2.85Å; D920-R947 PolarHBondContact OD2-NH2 3.46Å; V943-R947 WeakPolarHBondContact O-CB 3.48Å; V943-R947 WeakPolarHBondContact O-CG 3.04Å; V943-R947 PolarHBondContact O-N 3.27Å; A944-R947 CarbonylContact O-C 3.59Å; A944-R947 VanDerWaalsContact O-C 3.27Å; A944-R947 PolarHBondContact O-N 2.89Å; A945-R947 PolarHBondContact O-N 3.36Å; R947-R949 PolarHBondContact O-N 3.22Å |
| 948 | E | 54.9 | Low | 63.4 | Low | 178 Ų | 178 | 80.4 Ų | 80.4 | 83% | 0.832 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 30 | -179.3 | -60.7 | -168.7 | 118.3 | 0 | 0 | 117.4 | ||
| 949 | R | 51.3 | Low | 62.8 | Low | 247 Ų | 247 | 81.8 Ų | 81.8 | 93% | 0.932 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.1 | 22.6 | 179.6 | -62.8 | -162.9 | -162.7 | 167.1 | 8.5 | 116.7 | R947 | R947-R949 PolarHBondContact O-N 3.22Š|
| 950 | D | 49.5 | Very low | 61.9 | Low | 71 Ų | 71 | 82 Ų | 82 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | trans | -137 | 98.1 | 177.7 | -160.6 | -16 | 0 | 0 | 0 | 113.4 | R917 S952 S953 | R917-D950 IonicContact CZ-OD2 3.13Å; R917-D950 IonicContact NH1-OD2 2.71Å; R917-D950 PolarHBondContact NH1-OD2 3.22Å; R917-D950 IonicContact NH2-OD2 3.79Å; D950-S952 PolarHBondContact O-N 3.25Å; D950-S952 VanDerWaalsContact O-N 3.12Å; D950-S952 WeakPolarHBondContact OD1-CB 3.26Å; D950-S952 PolarHBondContact OD1-N 3.02Å; D950-S952 PolarHBondContact OD1-OG 2.84Å; D950-S952 PolarHBondContact OD2-OG 2.75Å; D950-S953 PolarHBondContact O-N 3.02Å; D950-S953 PolarHBondContact O-OG 2.94Å | ||
| 951 | E | 54.4 | Low | 61.4 | Low | 169 Ų | 169 | 83.5 Ų | 83.5 | 79% | 0.79 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -61.3 | -19.7 | -177.3 | -63.8 | -166.3 | 148.1 | 0 | 0 | 113.6 | S953 N954 | E951-S953 PolarHBondContact O-N 3.48Å; E951-N954 PolarHBondContact O-N 3.34Å; E951-N954 VanDerWaalsContact O-N 3.1Å |
| 952 | S | 54.2 | Low | 61.1 | Low | 50 Ų | 50 | 85.3 Ų | 85.3 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -61.7 | -13.9 | 178.8 | 62.3 | 0 | 0 | 0 | 0 | 114 | R917 D950 T955 | R917-S952 PolarHBondContact NH2-OG 2.77Å; D950-S952 PolarHBondContact O-N 3.25Å; D950-S952 VanDerWaalsContact O-N 3.12Å; D950-S952 WeakPolarHBondContact OD1-CB 3.26Å; D950-S952 PolarHBondContact OD1-N 3.02Å; D950-S952 PolarHBondContact OD1-OG 2.84Å; D950-S952 PolarHBondContact OD2-OG 2.75Å; S952-T955 PolarHBondContact O-OG1 3.39Å |
| 953 | S | 52.6 | Low | 60.5 | Low | 38 Ų | 38 | 86.5 Ų | 86.5 | 27% | 0.266 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -67.1 | -31.6 | 173.9 | -48.1 | 0 | 0 | 0 | 0 | 113.4 | D950 E951 T955 I956 | D950-S953 PolarHBondContact O-N 3.02Å; D950-S953 PolarHBondContact O-OG 2.94Å; E951-S953 PolarHBondContact O-N 3.48Å; S953-T955 VanDerWaalsContact C-N 3.3Å; S953-T955 PolarHBondContact O-N 3.15Å; S953-I956 PolarHBondContact O-N 2.65Å |
| 954 | N | 54.6 | Low | 60.1 | Low | 114 Ų | 114 | 86 Ų | 86 | 61% | 0.61 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -74.8 | -11 | -166.4 | -75.1 | -30.1 | 0 | 0 | 0 | 115.1 | E951 P958 | E951-N954 PolarHBondContact O-N 3.34Å; E951-N954 VanDerWaalsContact O-N 3.1Å; N954-P958 WeakPolarHBondContact O-CD 3.48Å; N954-P958 WeakPolarHBondContact O-CG 3.43Å |
| 955 | T | 58.6 | Low | 60.1 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 65% | 0.65 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -86.2 | -20.3 | 174.7 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | S952 S953 A959 | S952-T955 PolarHBondContact O-OG1 3.39Å; S953-T955 VanDerWaalsContact C-N 3.3Å; S953-T955 PolarHBondContact O-N 3.15Å; T955-A959 PolarHBondContact O-N 3.48Å |
| 956 | I | 58.9 | Low | 60.2 | Low | 74 Ų | 74 | 86.5 Ų | 86.5 | 38% | 0.379 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.3 | -46.7 | -177.6 | -60 | 175.8 | 0 | 0 | 0 | 110.6 | L924 M940 S953 A959 Y960 | L924-I956 HydrophobicContact CD2-CG2 4.3Å; M940-I956 HydrophobicContact CE-CB 3.74Å; M940-I956 HydrophobicContact CE-CG2 3.53Å; M940-I956 HydrophobicContact SD-CG2 3.78Å; S953-I956 PolarHBondContact O-N 2.65Å; I956-A959 PolarHBondContact O-N 3.09Å; I956-Y960 WeakPolarHBondContact O-CB 3.38Å; I956-Y960 PolarHBondContact O-N 2.98Å |
| 957 | L | 59.2 | Low | 60.3 | Low | 50 Ų | 50 | 86 Ų | 86 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.6 | -42.1 | -179.5 | -83.6 | 165.6 | 0 | 0 | 0 | 114.2 | M940 S961 | M940-L957 HydrophobicContact CE-CD2 4.43Å; M940-L957 HydrophobicContact CE-CG 3.91Å; M940-L957 HydrophobicContact SD-CD2 4.34Å; M940-L957 HydrophobicContact SD-CG 4.44Å; L957-S961 WeakPolarHBondContact O-CB 3.49Å; L957-S961 PolarHBondContact O-N 3.17Å; L957-S961 PolarHBondContact O-OG 2.7Å |
| 958 | P | 63.3 | Low | 60.4 | Low | 81 Ų | 81 | 84 Ų | 84 | 53% | 0.526 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 172.6 | -24.2 | 35.2 | 0 | 0 | 0 | 114.1 | N954 S961 A962 | N954-P958 WeakPolarHBondContact O-CD 3.48Å; N954-P958 WeakPolarHBondContact O-CG 3.43Å; P958-S961 WeakPolarHBondContact O-CB 3.06Å; P958-S961 PolarHBondContact O-N 3.44Å; P958-A962 PolarHBondContact O-N 3.38Å |
| 959 | A | 61.8 | Low | 61.2 | Low | 58 Ų | 58 | 79 Ų | 79 | 48% | 0.479 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T955 I956 A962 T963 | T955-A959 PolarHBondContact O-N 3.48Å; I956-A959 PolarHBondContact O-N 3.09Å; A959-A962 WeakPolarHBondContact O-CB 3.41Å; A959-A962 PolarHBondContact O-N 3.33Å; A959-T963 PolarHBondContact O-N 3.31Å; A959-T963 PolarHBondContact O-OG1 2.97Å |
| 960 | Y | 58.8 | Low | 62.1 | Low | 13 Ų | 13 | 71.3 Ų | 71.3 | 5% | 0.051 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 171.3 | 171 | -100.5 | 0 | 0 | 0 | 112.5 | L928 F933 A936 V937 I956 A962 T963 M964 | L928-Y960 HydrophobicContact CD2-CD2 3.57Å; L928-Y960 HydrophobicContact CD2-CE2 3.39Å; F933-Y960 VanDerWaalsContact C-OH 3.29Å; F933-Y960 WeakPolarHBondContact CA-OH 3.27Å; F933-Y960 VanDerWaalsContact CB-OH 3.23Å; F933-Y960 WeakPolarHBondContact CB-OH 2.97Å; F933-Y960 AromaticContact CD1-CE2 3.97Å; F933-Y960 HydrophobicContact CD1-CE2 3.97Å; F933-Y960 WeakPolarHBondContact CD1-OH 3.15Å; F933-Y960 PolarHBondContact O-OH 3.16Å; A936-Y960 HydrophobicContact CB-CE2 4.44Å; V937-Y960 HydrophobicContact CG2-CD1 4.18Å; V937-Y960 HydrophobicContact CG2-CE1 3.25Å; I956-Y960 WeakPolarHBondContact O-CB 3.38Å; I956-Y960 PolarHBondContact O-N 2.98Å; Y960-A962 PolarHBondContact O-N 2.78Å; Y960-T963 PolarHBondContact O-N 2.89Å; Y960-T963 PolarHBondContact O-OG1 2.8Å; Y960-M964 HydrophobicContact CD1-CE 4.01Å; Y960-M964 HydrophobicContact CE1-CE 3.45Å; Y960-M964 VanDerWaalsContact CE1-CE 3.45Å; Y960-M964 HydrophobicContact CE1-CG 4.43Å; Y960-M964 HydrophobicContact CE1-SD 3.88Å; Y960-M964 HydrophobicContact CE2-CG 4.5Å; Y960-M964 PolarHBondContact O-N 3.26Å |
| 961 | S | 63.2 | Low | 63.2 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 38% | 0.378 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.1 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | L957 P958 T963 Q969 | L957-S961 WeakPolarHBondContact O-CB 3.49Å; L957-S961 PolarHBondContact O-N 3.17Å; L957-S961 PolarHBondContact O-OG 2.7Å; P958-S961 WeakPolarHBondContact O-CB 3.06Å; P958-S961 PolarHBondContact O-N 3.44Å; S961-T963 VanDerWaalsContact C-N 3.35Å; S961-T963 PolarHBondContact O-N 3.22Å; S961-Q969 WeakPolarHBondContact O-CG 3.46Å; S961-Q969 PolarHBondContact O-NE2 3.36Å |
| 962 | A | 66.2 | Low | 63.8 | Low | 77 Ų | 77 | 62 Ų | 62 | 64% | 0.636 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -70.1 | -23.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P958 A959 Y960 | P958-A962 PolarHBondContact O-N 3.38Å; A959-A962 WeakPolarHBondContact O-CB 3.41Å; A959-A962 PolarHBondContact O-N 3.33Å; Y960-A962 PolarHBondContact O-N 2.78Å |
| 963 | T | 60.9 | Low | 64.5 | Low | 108 Ų | 108 | 61 Ų | 61 | 66% | 0.663 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -88.3 | -17.3 | 177.8 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | A959 Y960 S961 | A959-T963 PolarHBondContact O-N 3.31Å; A959-T963 PolarHBondContact O-OG1 2.97Å; Y960-T963 PolarHBondContact O-N 2.89Å; Y960-T963 PolarHBondContact O-OG1 2.8Å; S961-T963 VanDerWaalsContact C-N 3.35Å; S961-T963 PolarHBondContact O-N 3.22Å |
| 964 | M | 66.3 | Low | 65.5 | Low | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.059 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -69 | 140.8 | 171 | -77 | -170.2 | -72.1 | 0 | 0 | 112 | F933 Y960 T968 Q969 A972 | F933-M964 HydrophobicContact CB-SD 4.1Å; F933-M964 HydrophobicContact CD1-CG 3.85Å; F933-M964 HydrophobicContact CD1-SD 4.37Å; F933-M964 HydrophobicContact CE1-CG 4.22Å; F933-M964 HydrophobicContact CG-CG 4.25Å; F933-M964 HydrophobicContact CG-SD 4.35Å; Y960-M964 HydrophobicContact CD1-CE 4.01Å; Y960-M964 HydrophobicContact CE1-CE 3.45Å; Y960-M964 VanDerWaalsContact CE1-CE 3.45Å; Y960-M964 HydrophobicContact CE1-CG 4.43Å; Y960-M964 HydrophobicContact CE1-SD 3.88Å; Y960-M964 HydrophobicContact CE2-CG 4.5Å; Y960-M964 PolarHBondContact O-N 3.26Å; M964-T968 HydrophobicContact CB-CG2 4.49Å; M964-T968 HydrophobicContact CG-CG2 4.23Å; M964-T968 HydrophobicContact SD-CG2 3.84Å; M964-Q969 HydrophobicContact CB-CG 3.67Å; M964-Q969 WeakPolarHBondContact O-CG 3.35Å; M964-Q969 PolarHBondContact O-NE2 2.93Å; M964-Q969 VanDerWaalsContact O-NE2 3.11Å; M964-A972 HydrophobicContact CE-CB 4.1Å; M964-A972 HydrophobicContact SD-CB 4.05Å |
| 965 | G | 68.9 | Low | 66.2 | Low | 36 Ų | 36 | 55.3 Ų | 55.3 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | trans | -63.7 | 152.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | V967 T968 Q969 | G965-V967 VanDerWaalsContact C-N 3.25Å; G965-V967 PolarHBondContact O-N 2.91Å; G965-V967 VanDerWaalsContact O-N 3.1Å; G965-T968 CarbonylContact O-C 3.27Å; G965-T968 WeakPolarHBondContact O-CA 3.49Å; G965-T968 WeakPolarHBondContact O-CB 3.43Å; G965-T968 PolarHBondContact O-N 3.46Å; G965-Q969 PolarHBondContact O-N 3.17Å | ||
| 966 | P | 72.9 | Confident | 66.7 | Low | 91 Ų | 91 | 53.2 Ų | 53.2 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.4 | -24.8 | -168.1 | 22.8 | -34 | 0 | 0 | 0 | 114.7 | N970 | P966-N970 WeakPolarHBondContact O-CB 3.38Å; P966-N970 PolarHBondContact O-N 3.26Å; P966-N970 PolarHBondContact O-ND2 3.3Å |
| 967 | V | 69.5 | Low | 67.3 | Low | 91 Ų | 91 | 59.2 Ų | 59.2 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.8 | -46.5 | 171.4 | 178 | 0 | 0 | 0 | 0 | 110.4 | G965 N970 I971 F1011 | G965-V967 VanDerWaalsContact C-N 3.25Å; G965-V967 PolarHBondContact O-N 2.91Å; G965-V967 VanDerWaalsContact O-N 3.1Å; V967-N970 PolarHBondContact O-N 3.49Å; V967-I971 HydrophobicContact CG1-CD1 4.02Å; V967-I971 WeakPolarHBondContact O-CG1 3.46Å; V967-I971 PolarHBondContact O-N 3.26Å; V967-F1011 HydrophobicContact CG1-CE1 4.39Å |
| 968 | T | 69.3 | Low | 67.9 | Low | 45 Ų | 45 | 57.4 Ų | 57.4 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 177.6 | -41 | 0 | 0 | 0 | 0 | 111.8 | F933 M964 G965 N970 I971 A972 | F933-T968 HydrophobicContact CB-CG2 3.96Å; F933-T968 HydrophobicContact CD2-CG2 3.65Å; F933-T968 HydrophobicContact CE2-CG2 4.38Å; F933-T968 HydrophobicContact CG-CG2 3.95Å; M964-T968 HydrophobicContact CB-CG2 4.49Å; M964-T968 HydrophobicContact CG-CG2 4.23Å; M964-T968 HydrophobicContact SD-CG2 3.84Å; G965-T968 CarbonylContact O-C 3.27Å; G965-T968 WeakPolarHBondContact O-CA 3.49Å; G965-T968 WeakPolarHBondContact O-CB 3.43Å; G965-T968 PolarHBondContact O-N 3.46Å; T968-N970 VanDerWaalsContact C-N 3.31Å; T968-N970 PolarHBondContact O-N 3.34Å; T968-I971 PolarHBondContact O-N 3.25Å; T968-A972 WeakPolarHBondContact O-CB 3.37Å; T968-A972 PolarHBondContact O-N 2.92Å |
| 969 | Q | 70.2 | Confident | 68 | Low | 74 Ų | 74 | 56.2 Ų | 56.2 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.4 | -46.1 | 170.5 | -72.9 | 176.7 | -14.4 | 0 | 0 | 111.6 | S961 M964 G965 G973 | S961-Q969 WeakPolarHBondContact O-CG 3.46Å; S961-Q969 PolarHBondContact O-NE2 3.36Å; M964-Q969 HydrophobicContact CB-CG 3.67Å; M964-Q969 WeakPolarHBondContact O-CG 3.35Å; M964-Q969 PolarHBondContact O-NE2 2.93Å; M964-Q969 VanDerWaalsContact O-NE2 3.11Å; G965-Q969 PolarHBondContact O-N 3.17Å; Q969-G973 WeakPolarHBondContact O-CA 3.3Å; Q969-G973 PolarHBondContact O-N 3.18Å |
| 970 | N | 71.8 | Confident | 68.1 | Low | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -36.4 | 179.4 | -85.2 | -73.2 | 0 | 0 | 0 | 112.4 | P966 V967 T968 T974 F1011 | P966-N970 WeakPolarHBondContact O-CB 3.38Å; P966-N970 PolarHBondContact O-N 3.26Å; P966-N970 PolarHBondContact O-ND2 3.3Å; V967-N970 PolarHBondContact O-N 3.49Å; T968-N970 VanDerWaalsContact C-N 3.31Å; T968-N970 PolarHBondContact O-N 3.34Å; N970-T974 WeakPolarHBondContact O-CB 3.13Å; N970-T974 PolarHBondContact O-N 2.74Å; N970-T974 PolarHBondContact O-OG1 2.94Å; N970-F1011 HydrophobicContact CB-CD1 4.4Å; N970-F1011 HydrophobicContact CB-CE1 4.46Å |
| 971 | I | 70.8 | Confident | 68.4 | Low | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.205 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -68.4 | -51 | 175.7 | -66.9 | 168.8 | 0 | 0 | 0 | 110.4 | I934 V967 T968 T974 Y975 F1011 | I934-I971 HydrophobicContact CD1-CG2 4.27Å; V967-I971 HydrophobicContact CG1-CD1 4.02Å; V967-I971 WeakPolarHBondContact O-CG1 3.46Å; V967-I971 PolarHBondContact O-N 3.26Å; T968-I971 PolarHBondContact O-N 3.25Å; I971-T974 PolarHBondContact O-N 3.44Å; I971-Y975 WeakPolarHBondContact O-CB 3.44Å; I971-Y975 PolarHBondContact O-N 3.29Å; I971-F1011 HydrophobicContact CG1-CD1 3.87Å |
| 972 | A | 67.3 | Low | 68.5 | Low | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.033 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M964 T968 T974 Y975 L976 | M964-A972 HydrophobicContact CE-CB 4.1Å; M964-A972 HydrophobicContact SD-CB 4.05Å; T968-A972 WeakPolarHBondContact O-CB 3.37Å; T968-A972 PolarHBondContact O-N 2.92Å; A972-T974 VanDerWaalsContact C-N 3.31Å; A972-T974 PolarHBondContact O-N 3.09Å; A972-Y975 WeakPolarHBondContact O-CB 3.46Å; A972-Y975 PolarHBondContact O-N 2.81Å; A972-L976 WeakPolarHBondContact O-CG 3.23Å; A972-L976 PolarHBondContact O-N 3.19Å |
| 973 | G | 69.8 | Low | 67.7 | Low | 30 Ų | 30 | 66.8 Ų | 66.8 | 31% | 0.309 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -72 | -19.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q969 | Q969-G973 WeakPolarHBondContact O-CA 3.3Å; Q969-G973 PolarHBondContact O-N 3.18Å |
| 974 | T | 72.4 | Confident | 67.3 | Low | 20 Ų | 20 | 66.4 Ų | 66.4 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -81.9 | -41.5 | 167.4 | -58.7 | 0 | 0 | 0 | 0 | 110.6 | N970 I971 A972 R977 I978 F1011 Q1012 A1015 | N970-T974 WeakPolarHBondContact O-CB 3.13Å; N970-T974 PolarHBondContact O-N 2.74Å; N970-T974 PolarHBondContact O-OG1 2.94Å; I971-T974 PolarHBondContact O-N 3.44Å; A972-T974 VanDerWaalsContact C-N 3.31Å; A972-T974 PolarHBondContact O-N 3.09Å; T974-R977 WeakPolarHBondContact O-CB 3.15Å; T974-R977 PolarHBondContact O-N 3.37Å; T974-R977 VanDerWaalsContact O-N 3.11Å; T974-I978 WeakPolarHBondContact O-CG1 3.44Å; T974-I978 PolarHBondContact O-N 2.88Å; T974-F1011 HydrophobicContact CG2-CB 4.42Å; T974-Q1012 HydrophobicContact CG2-CB 3.93Å; T974-Q1012 HydrophobicContact CG2-CG 4.47Å; T974-A1015 HydrophobicContact CG2-CB 4.5Å |
| 975 | Y | 70.3 | Confident | 66.1 | Low | 13 Ų | 13 | 76.8 Ų | 76.8 | 5% | 0.051 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.9 | -51.4 | 175 | 173.9 | -121.3 | 0 | 0 | 0 | 111.9 | I934 I971 A972 R977 I978 R979 H1019 | I934-Y975 HydrophobicContact CG2-CD1 3.95Å; I934-Y975 HydrophobicContact CG2-CE1 3.83Å; I971-Y975 WeakPolarHBondContact O-CB 3.44Å; I971-Y975 PolarHBondContact O-N 3.29Å; A972-Y975 WeakPolarHBondContact O-CB 3.46Å; A972-Y975 PolarHBondContact O-N 2.81Å; Y975-R977 PolarHBondContact O-N 2.74Å; Y975-R977 VanDerWaalsContact O-N 3.16Å; Y975-I978 WeakPolarHBondContact O-CG1 3.4Å; Y975-I978 PolarHBondContact O-N 3.29Å; Y975-R979 HydrophobicContact CE2-CB 4.11Å; Y975-R979 HydrophobicContact CE2-CG 4.4Å; Y975-R979 WeakPolarHBondContact O-CB 3.43Å; Y975-R979 PolarHBondContact O-N 3.47Å; Y975-H1019 HydrophobicContact CD2-CB 4.32Å; Y975-H1019 HydrophobicContact CE2-CB 3.73Å; Y975-H1019 AromaticContact CE2-CG 3.63Å; Y975-H1019 AromaticContact CE2-ND1 3.57Å; Y975-H1019 AromaticContact CZ-ND1 3.78Å; Y975-H1019 PolarHBondContact OH-CE1 2.83Å; Y975-H1019 PolarHBondContact OH-ND1 3.11Å; Y975-H1019 VanDerWaalsContact OH-ND1 3.14Å |
| 976 | L | 68.1 | Low | 64.7 | Low | 62 Ų | 62 | 84 Ų | 84 | 33% | 0.325 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.4 | -32.8 | 174.7 | -76.4 | 169.4 | 0 | 0 | 0 | 113 | V937 A972 I978 | V937-L976 HydrophobicContact CG1-CD1 4.18Å; V937-L976 HydrophobicContact CG1-CD2 3.82Å; V937-L976 HydrophobicContact CG1-CG 4.23Å; A972-L976 WeakPolarHBondContact O-CG 3.23Å; A972-L976 PolarHBondContact O-N 3.19Å; L976-I978 VanDerWaalsContact C-N 3.33Å |
| 977 | R | 73.1 | Confident | 63.1 | Low | 199 Ų | 199 | 89.1 Ų | 89.1 | 75% | 0.751 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -78.8 | -13.6 | 179.7 | -159.2 | -177.1 | -57.4 | 158.8 | 8 | 113.9 | T974 Y975 | T974-R977 WeakPolarHBondContact O-CB 3.15Å; T974-R977 PolarHBondContact O-N 3.37Å; T974-R977 VanDerWaalsContact O-N 3.11Å; Y975-R977 PolarHBondContact O-N 2.74Å; Y975-R977 VanDerWaalsContact O-N 3.16Å |
| 978 | I | 72.1 | Confident | 61.5 | Low | 12 Ų | 12 | 92.5 Ų | 92.5 | 6% | 0.062 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -120.6 | -20.8 | -175.7 | 68.7 | -178.3 | 0 | 0 | 0 | 113.8 | T974 Y975 L976 D980 T981 L982 Q1012 A1015 V1016 | T974-I978 WeakPolarHBondContact O-CG1 3.44Å; T974-I978 PolarHBondContact O-N 2.88Å; Y975-I978 WeakPolarHBondContact O-CG1 3.4Å; Y975-I978 PolarHBondContact O-N 3.29Å; L976-I978 VanDerWaalsContact C-N 3.33Å; I978-D980 VanDerWaalsContact C-N 3.28Å; I978-D980 PolarHBondContact O-N 3.44Å; I978-T981 WeakPolarHBondContact O-CA 3.41Å; I978-T981 PolarHBondContact O-N 2.88Å; I978-T981 PolarHBondContact O-OG1 3.13Å; I978-L982 HydrophobicContact CB-CD1 4.33Å; I978-L982 HydrophobicContact CD1-CD1 4.14Å; I978-L982 HydrophobicContact CG1-CD1 3.87Å; I978-L982 WeakPolarHBondContact O-CG 3.39Å; I978-L982 PolarHBondContact O-N 3Å; I978-Q1012 HydrophobicContact CD1-CG 3.92Å; I978-Q1012 HydrophobicContact CG2-CG 4.17Å; I978-A1015 HydrophobicContact CD1-CB 3.75Å; I978-V1016 HydrophobicContact CD1-CG2 3.74Å |
| 979 | R | 65 | Low | 60.5 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 21% | 0.211 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -48.5 | -50.3 | 178.5 | 177.7 | -177.1 | 63.7 | -164 | -4.4 | 111.7 | D941 Y975 T981 L982 | D941-R979 IonicContact OD2-CZ 3.62Å; D941-R979 VanDerWaalsContact OD2-CZ 3.22Å; D941-R979 IonicContact OD2-NH1 2.75Å; D941-R979 PolarHBondContact OD2-NH1 3.18Å; D941-R979 IonicContact OD2-NH2 2.89Å; D941-R979 PolarHBondContact OD2-NH2 3.08Å; Y975-R979 HydrophobicContact CE2-CB 4.11Å; Y975-R979 HydrophobicContact CE2-CG 4.4Å; Y975-R979 WeakPolarHBondContact O-CB 3.43Å; Y975-R979 PolarHBondContact O-N 3.47Å; R979-T981 PolarHBondContact O-N 2.7Å; R979-L982 PolarHBondContact O-N 3.04Å |
| 980 | D | 62.9 | Low | 59.6 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.8 | -176.2 | -49 | -4.7 | 0 | 0 | 0 | 112.9 | I978 | I978-D980 VanDerWaalsContact C-N 3.28Å; I978-D980 PolarHBondContact O-N 3.44Å |
| 981 | T | 66.4 | Low | 58.6 | Low | 116 Ų | 116 | 98.3 Ų | 98.3 | 71% | 0.712 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 4.6 | 171.5 | 53.5 | 0 | 0 | 0 | 0 | 114.4 | I978 R979 | I978-T981 WeakPolarHBondContact O-CA 3.41Å; I978-T981 PolarHBondContact O-N 2.88Å; I978-T981 PolarHBondContact O-OG1 3.13Å; R979-T981 PolarHBondContact O-N 2.7Å |
| 982 | L | 64.4 | Low | 57.9 | Low | 52 Ų | 52 | 100.5 Ų | 100.5 | 27% | 0.272 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -8.4 | -179.5 | -67.6 | 166.8 | 0 | 0 | 0 | 113.5 | I978 R979 V1016 | I978-L982 HydrophobicContact CB-CD1 4.33Å; I978-L982 HydrophobicContact CD1-CD1 4.14Å; I978-L982 HydrophobicContact CG1-CD1 3.87Å; I978-L982 WeakPolarHBondContact O-CG 3.39Å; I978-L982 PolarHBondContact O-N 3Å; R979-L982 PolarHBondContact O-N 3.04Å; L982-V1016 HydrophobicContact CD1-CG2 4.15Å |
| 983 | E | 50.4 | Low | 57.2 | Low | 138 Ų | 138 | 103.4 Ų | 103.4 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -56.3 | 127.8 | 170.1 | -82.9 | -72 | 123.9 | 0 | 0 | 112 | Y985 | E983-Y985 PolarHBondContact O-N 3.33Š|
| 984 | P | 50.6 | Low | 56.5 | Low | 100 Ų | 100 | 105.3 Ų | 105.3 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | trans | -87.9 | 110 | -164.8 | 32.2 | -35.4 | 0 | 0 | 0 | 114.7 | Q986 | P984-Q986 PolarHBondContact O-N 2.88Š| ||
| 985 | Y | 42.6 | Very low | 55.8 | Low | 229 Ų | 229 | 106.3 Ų | 106.3 | 90% | 0.898 | 55% | 0.548 | S | S | * | . | trans | -64.8 | 100.2 | 165 | -102.6 | -82.4 | 0 | 0 | 0 | 112.1 | E983 K987 | E983-Y985 PolarHBondContact O-N 3.33Å; Y985-K987 PolarHBondContact O-N 3.4Å | ||
| 986 | Q | 38.6 | Very low | 55.3 | Low | 187 Ų | 187 | 108.1 Ų | 108.1 | 87% | 0.874 | 56% | 0.562 | S | S | * | * | trans | 7.7 | 88 | 160.3 | -65 | -179.4 | -9 | 0 | 0 | 117 | P984 | P984-Q986 PolarHBondContact O-N 2.88Š| ||
| 987 | K | 40.6 | Very low | 55.1 | Low | 200 Ų | 200 | 107.2 Ų | 107.2 | 87% | 0.87 | 56% | 0.556 | S | S | * | * | trans | -138.7 | 110.9 | 158.6 | -75.5 | -167.9 | 177.4 | 174.5 | 0 | 112 | Y985 G989 | Y985-K987 PolarHBondContact O-N 3.4Å; K987-G989 PolarHBondContact O-N 3.08Å | ||
| 988 | T | 35.7 | Very low | 54.4 | Low | 161 Ų | 161 | 100.2 Ų | 100.2 | 99% | 0.988 | 53% | 0.533 | S | S | * | . | trans | -69.8 | 103.7 | 170.7 | 29.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 989 | G | 48.5 | Very low | 54 | Low | 54 Ų | 54 | 104.4 Ų | 104.4 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -166.2 | 155.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K987 L991 | K987-G989 PolarHBondContact O-N 3.08Å; G989-L991 PolarHBondContact O-N 3.09Å |
| 990 | P | 50.2 | Low | 53.7 | Low | 131 Ų | 131 | 107.2 Ų | 107.2 | 85% | 0.851 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 131.9 | 179.1 | 26.4 | -33.7 | 0 | 0 | 0 | 110.5 | E992 | P990-E992 PolarHBondContact O-N 2.82Š|
| 991 | L | 51.8 | Low | 53.5 | Low | 142 Ų | 142 | 105.6 Ų | 105.6 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.9 | 178.2 | -73.3 | 165 | 0 | 0 | 0 | 110.3 | G989 W1020 | G989-L991 PolarHBondContact O-N 3.09Å; L991-W1020 HydrophobicContact CD2-CZ3 4.33Å |
| 992 | E | 55.3 | Low | 53.1 | Low | 86 Ų | 86 | 105 Ų | 105 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -67.8 | 138.1 | 169 | -74.2 | -176.9 | 141.4 | 0 | 0 | 110.1 | P990 C996 K1000 | P990-E992 PolarHBondContact O-N 2.82Å; E992-C996 HydrophobicContact CB-CB 4.15Å; E992-K1000 IonicContact OE1-NZ 2.64Å; E992-K1000 PolarHBondContact OE1-NZ 3.4Å; E992-K1000 WeakPolarHBondContact OE2-CE 3.43Å; E992-K1000 IonicContact OE2-NZ 3.92Å; E992-K1000 PolarHBondContact OE2-NZ 2.85Å |
| 993 | P | 53.4 | Low | 52.6 | Low | 64 Ų | 64 | 106.9 Ų | 106.9 | 42% | 0.416 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 149.5 | 179.9 | 25.3 | -33.9 | 0 | 0 | 0 | 111.1 | S995 C996 Q997 | P993-S995 PolarHBondContact O-N 3.33Å; P993-C996 HydrophobicContact CG-CB 4.42Å; P993-C996 WeakPolarHBondContact O-CA 3.38Å; P993-C996 WeakPolarHBondContact O-CB 3.48Å; P993-C996 PolarHBondContact O-N 3.41Å; P993-Q997 PolarHBondContact O-N 3.24Å |
| 994 | F | 54.2 | Low | 52.9 | Low | 71 Ų | 71 | 103.3 Ų | 103.3 | 31% | 0.311 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -54.3 | -28.7 | -172 | -173.8 | -118.7 | 0 | 0 | 0 | 114.4 | Q997 L998 V1016 S1017 | F994-Q997 PolarHBondContact O-N 3.24Å; F994-L998 HydrophobicContact CD1-CD1 3.79Å; F994-L998 HydrophobicContact CD1-CG 4.32Å; F994-L998 HydrophobicContact CE1-CD1 3.49Å; F994-L998 VanDerWaalsContact CE1-CD1 3.49Å; F994-L998 HydrophobicContact CE1-CG 4.01Å; F994-L998 HydrophobicContact CE2-CG 4.39Å; F994-L998 HydrophobicContact CZ-CD1 4.01Å; F994-L998 HydrophobicContact CZ-CD2 4.34Å; F994-L998 HydrophobicContact CZ-CG 4.04Å; F994-L998 WeakPolarHBondContact O-CB 3.45Å; F994-L998 PolarHBondContact O-N 3.5Å; F994-V1016 HydrophobicContact CE2-CG1 4.14Å; F994-S1017 WeakPolarHBondContact CZ-OG 3.41Å |
| 995 | S | 58 | Low | 53.2 | Low | 40 Ų | 40 | 101.8 Ų | 101.8 | 28% | 0.28 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.1 | -41.1 | 171.2 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | P993 V999 F1046 | P993-S995 PolarHBondContact O-N 3.33Å; S995-V999 WeakPolarHBondContact O-CB 3.37Å; S995-V999 VanDerWaalsContact O-CG2 3.26Å; S995-V999 WeakPolarHBondContact O-CG2 3.1Å; S995-V999 PolarHBondContact O-N 3.46Å; S995-F1046 WeakPolarHBondContact OG-CE2 3.43Å; S995-F1046 WeakPolarHBondContact OG-CZ 3.43Å |
| 996 | C | 60.5 | Low | 53.8 | Low | 51 Ų | 51 | 98.1 Ų | 98.1 | 35% | 0.345 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.3 | -36.5 | 176.9 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | E992 P993 V999 K1000 | E992-C996 HydrophobicContact CB-CB 4.15Å; P993-C996 HydrophobicContact CG-CB 4.42Å; P993-C996 WeakPolarHBondContact O-CA 3.38Å; P993-C996 WeakPolarHBondContact O-CB 3.48Å; P993-C996 PolarHBondContact O-N 3.41Å; C996-V999 PolarHBondContact O-N 2.98Å; C996-K1000 WeakPolarHBondContact O-CB 3.38Å; C996-K1000 WeakPolarHBondContact O-CG 3.39Å; C996-K1000 PolarHBondContact O-N 2.75Å |
| 997 | Q | 62 | Low | 54.5 | Low | 44 Ų | 44 | 92.4 Ų | 92.4 | 21% | 0.206 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 171.8 | -69.6 | -175.1 | -14.2 | 0 | 0 | 111.6 | P993 F994 V999 K1000 Q1001 | P993-Q997 PolarHBondContact O-N 3.24Å; F994-Q997 PolarHBondContact O-N 3.24Å; Q997-V999 VanDerWaalsContact C-N 3.34Å; Q997-V999 PolarHBondContact O-N 3.44Å; Q997-K1000 PolarHBondContact O-N 3.05Å; Q997-Q1001 WeakPolarHBondContact O-CB 3.46Å; Q997-Q1001 WeakPolarHBondContact O-CG 3.35Å; Q997-Q1001 PolarHBondContact O-N 2.92Å |
| 998 | L | 58.5 | Low | 55.2 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 27% | 0.267 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 174.4 | -83.4 | 173.2 | 0 | 0 | 0 | 112 | F994 Q1001 N1002 L1007 | F994-L998 HydrophobicContact CD1-CD1 3.79Å; F994-L998 HydrophobicContact CD1-CG 4.32Å; F994-L998 HydrophobicContact CE1-CD1 3.49Å; F994-L998 VanDerWaalsContact CE1-CD1 3.49Å; F994-L998 HydrophobicContact CE1-CG 4.01Å; F994-L998 HydrophobicContact CE2-CG 4.39Å; F994-L998 HydrophobicContact CZ-CD1 4.01Å; F994-L998 HydrophobicContact CZ-CD2 4.34Å; F994-L998 HydrophobicContact CZ-CG 4.04Å; F994-L998 WeakPolarHBondContact O-CB 3.45Å; F994-L998 PolarHBondContact O-N 3.5Å; L998-Q1001 PolarHBondContact O-N 2.87Å; L998-N1002 WeakPolarHBondContact O-CB 3.13Å; L998-N1002 PolarHBondContact O-N 3.17Å; L998-N1002 PolarHBondContact O-ND2 3.05Å; L998-L1007 HydrophobicContact CD2-CD1 4.22Å; L998-L1007 HydrophobicContact CD2-CD2 4.45Å |
| 999 | V | 63.8 | Low | 56.7 | Low | 101 Ų | 101 | 79.2 Ų | 79.2 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.7 | -40.4 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | S995 C996 Q997 A1003 | S995-V999 WeakPolarHBondContact O-CB 3.37Å; S995-V999 VanDerWaalsContact O-CG2 3.26Å; S995-V999 WeakPolarHBondContact O-CG2 3.1Å; S995-V999 PolarHBondContact O-N 3.46Å; C996-V999 PolarHBondContact O-N 2.98Å; Q997-V999 VanDerWaalsContact C-N 3.34Å; Q997-V999 PolarHBondContact O-N 3.44Å; V999-A1003 WeakPolarHBondContact O-CB 3.35Å; V999-A1003 PolarHBondContact O-N 3.03Å |
| 1000 | K | 59.1 | Low | 57.4 | Low | 114 Ų | 114 | 82.6 Ų | 82.6 | 50% | 0.496 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 175.1 | -76.3 | -178.9 | -178.5 | 179 | 0 | 113.2 | E992 C996 Q997 A1003 S1004 | E992-K1000 IonicContact OE1-NZ 2.64Å; E992-K1000 PolarHBondContact OE1-NZ 3.4Å; E992-K1000 WeakPolarHBondContact OE2-CE 3.43Å; E992-K1000 IonicContact OE2-NZ 3.92Å; E992-K1000 PolarHBondContact OE2-NZ 2.85Å; C996-K1000 WeakPolarHBondContact O-CB 3.38Å; C996-K1000 WeakPolarHBondContact O-CG 3.39Å; C996-K1000 PolarHBondContact O-N 2.75Å; Q997-K1000 PolarHBondContact O-N 3.05Å; K1000-A1003 CarbonylContact O-C 3.29Å; K1000-A1003 PolarHBondContact O-N 2.67Å; K1000-S1004 PolarHBondContact O-N 2.84Å |
| 1001 | Q | 59.4 | Low | 58.2 | Low | 85 Ų | 85 | 80.1 Ų | 80.1 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75.5 | -31.3 | 177 | -73.4 | -177.3 | -18.6 | 0 | 0 | 113 | Q997 L998 S1004 G1005 Q1006 L1007 | Q997-Q1001 WeakPolarHBondContact O-CB 3.46Å; Q997-Q1001 WeakPolarHBondContact O-CG 3.35Å; Q997-Q1001 PolarHBondContact O-N 2.92Å; L998-Q1001 PolarHBondContact O-N 2.87Å; Q1001-S1004 PolarHBondContact O-N 3.22Å; Q1001-S1004 PolarHBondContact O-OG 2.64Å; Q1001-G1005 PolarHBondContact O-N 3.15Å; Q1001-G1005 VanDerWaalsContact O-N 3.13Å; Q1001-Q1006 PolarHBondContact O-N 3.46Å; Q1001-Q1006 VanDerWaalsContact O-N 3.17Å; Q1001-L1007 HydrophobicContact CB-CG 4.46Å |
| 1002 | N | 56.9 | Low | 59.1 | Low | 105 Ų | 105 | 77 Ų | 77 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 164.7 | -83.3 | -72.5 | 0 | 0 | 0 | 110.8 | L998 S1004 G1005 L1007 | L998-N1002 WeakPolarHBondContact O-CB 3.13Å; L998-N1002 PolarHBondContact O-N 3.17Å; L998-N1002 PolarHBondContact O-ND2 3.05Å; N1002-S1004 VanDerWaalsContact C-N 3.34Å; N1002-S1004 PolarHBondContact O-N 2.82Å; N1002-G1005 PolarHBondContact O-N 2.86Å; N1002-L1007 HydrophobicContact CB-CD1 4.49Å; N1002-L1007 VanDerWaalsContact ND2-CD1 3.3Å; N1002-L1007 WeakPolarHBondContact ND2-CD1 3.42Å |
| 1003 | A | 54.4 | Low | 59.6 | Low | 90 Ų | 90 | 74.7 Ų | 74.7 | 74% | 0.744 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.7 | -24.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | V999 K1000 | V999-A1003 WeakPolarHBondContact O-CB 3.35Å; V999-A1003 PolarHBondContact O-N 3.03Å; K1000-A1003 CarbonylContact O-C 3.29Å; K1000-A1003 PolarHBondContact O-N 2.67Å |
| 1004 | S | 57.2 | Low | 60.3 | Low | 64 Ų | 64 | 74.5 Ų | 74.5 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -88.6 | -7.8 | 172.2 | 74.2 | 0 | 0 | 0 | 0 | 114.1 | K1000 Q1001 N1002 Q1006 | K1000-S1004 PolarHBondContact O-N 2.84Å; Q1001-S1004 PolarHBondContact O-N 3.22Å; Q1001-S1004 PolarHBondContact O-OG 2.64Å; N1002-S1004 VanDerWaalsContact C-N 3.34Å; N1002-S1004 PolarHBondContact O-N 2.82Å; S1004-Q1006 VanDerWaalsContact C-N 3.33Å; S1004-Q1006 PolarHBondContact O-N 2.89Å; S1004-Q1006 PolarHBondContact OG-OE1 3.26Å |
| 1005 | G | 56 | Low | 61 | Low | 67 Ų | 67 | 71.1 Ų | 71.1 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 19.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q1001 N1002 | Q1001-G1005 PolarHBondContact O-N 3.15Å; Q1001-G1005 VanDerWaalsContact O-N 3.13Å; N1002-G1005 PolarHBondContact O-N 2.86Å |
| 1006 | Q | 55.5 | Low | 61.4 | Low | 152 Ų | 152 | 70.3 Ų | 70.3 | 71% | 0.71 | 42% | 0.422 | S | S | * | . | trans | -104.9 | 28.6 | -172.3 | -66.5 | -175 | -74.8 | 0 | 0 | 114.6 | Q1001 S1004 | Q1001-Q1006 PolarHBondContact O-N 3.46Å; Q1001-Q1006 VanDerWaalsContact O-N 3.17Å; S1004-Q1006 VanDerWaalsContact C-N 3.33Å; S1004-Q1006 PolarHBondContact O-N 2.89Å; S1004-Q1006 PolarHBondContact OG-OE1 3.26Å | ||
| 1007 | L | 52.8 | Low | 61.7 | Low | 67 Ų | 67 | 70.3 Ų | 70.3 | 35% | 0.351 | 42% | 0.423 | S | S | . | . | trans | -91.4 | 108.2 | 175.9 | -100.5 | 161.8 | 0 | 0 | 0 | 112.1 | L998 Q1001 N1002 | L998-L1007 HydrophobicContact CD2-CD1 4.22Å; L998-L1007 HydrophobicContact CD2-CD2 4.45Å; Q1001-L1007 HydrophobicContact CB-CG 4.46Å; N1002-L1007 HydrophobicContact CB-CD1 4.49Å; N1002-L1007 VanDerWaalsContact ND2-CD1 3.3Å; N1002-L1007 WeakPolarHBondContact ND2-CD1 3.42Å | ||
| 1008 | G | 55.7 | Low | 61.9 | Low | 29 Ų | 29 | 69.6 Ų | 69.6 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | trans | -72.6 | 169.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1009 | G | 67.6 | Low | 62.3 | Low | 56 Ų | 56 | 67.9 Ų | 67.9 | 58% | 0.577 | 42% | 0.415 | S | S | * | . | trans | -66.9 | 176.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | F1011 Q1012 S1013 | G1009-F1011 VanDerWaalsContact C-N 3.28Å; G1009-F1011 PolarHBondContact O-N 3.39Å; G1009-Q1012 WeakPolarHBondContact O-CA 3.39Å; G1009-Q1012 VanDerWaalsContact O-CB 3.29Å; G1009-Q1012 WeakPolarHBondContact O-CB 3.48Å; G1009-Q1012 PolarHBondContact O-N 3.39Å; G1009-S1013 PolarHBondContact O-N 2.91Å | ||
| 1010 | I | 63.8 | Low | 62.3 | Low | 125 Ų | 125 | 66.7 Ų | 66.7 | 64% | 0.641 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -46.9 | -40.7 | -171.5 | 56 | 174.7 | 0 | 0 | 0 | 115.3 | Q1012 S1013 S1014 | I1010-Q1012 VanDerWaalsContact C-N 3.3Å; I1010-Q1012 PolarHBondContact O-N 3.28Å; I1010-S1013 PolarHBondContact O-N 3.37Å; I1010-S1014 PolarHBondContact O-N 3Å; I1010-S1014 PolarHBondContact O-OG 2.93Å |
| 1011 | F | 67.4 | Low | 62.3 | Low | 78 Ų | 78 | 64 Ų | 64 | 34% | 0.342 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66 | -31.2 | 178.4 | -59.3 | -64.7 | 0 | 0 | 0 | 113.1 | V967 N970 I971 T974 G1009 A1015 | V967-F1011 HydrophobicContact CG1-CE1 4.39Å; N970-F1011 HydrophobicContact CB-CD1 4.4Å; N970-F1011 HydrophobicContact CB-CE1 4.46Å; I971-F1011 HydrophobicContact CG1-CD1 3.87Å; T974-F1011 HydrophobicContact CG2-CB 4.42Å; G1009-F1011 VanDerWaalsContact C-N 3.28Å; G1009-F1011 PolarHBondContact O-N 3.39Å; F1011-A1015 WeakPolarHBondContact O-CB 3.48Å; F1011-A1015 PolarHBondContact O-N 3.32Å |
| 1012 | Q | 69.7 | Low | 62.3 | Low | 77 Ų | 77 | 63.2 Ų | 63.2 | 36% | 0.36 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.4 | -43.3 | 174.3 | -172.6 | 166.5 | -2.3 | 0 | 0 | 110.3 | T974 I978 G1009 I1010 S1014 A1015 V1016 | T974-Q1012 HydrophobicContact CG2-CB 3.93Å; T974-Q1012 HydrophobicContact CG2-CG 4.47Å; I978-Q1012 HydrophobicContact CD1-CG 3.92Å; I978-Q1012 HydrophobicContact CG2-CG 4.17Å; G1009-Q1012 WeakPolarHBondContact O-CA 3.39Å; G1009-Q1012 VanDerWaalsContact O-CB 3.29Å; G1009-Q1012 WeakPolarHBondContact O-CB 3.48Å; G1009-Q1012 PolarHBondContact O-N 3.39Å; I1010-Q1012 VanDerWaalsContact C-N 3.3Å; I1010-Q1012 PolarHBondContact O-N 3.28Å; Q1012-S1014 PolarHBondContact O-N 3.17Å; Q1012-A1015 PolarHBondContact O-N 3.01Å; Q1012-V1016 WeakPolarHBondContact O-CB 3.4Å; Q1012-V1016 VanDerWaalsContact O-CG2 3.24Å; Q1012-V1016 WeakPolarHBondContact O-CG2 3.47Å; Q1012-V1016 PolarHBondContact O-N 3.38Å |
| 1013 | S | 65.5 | Low | 62.2 | Low | 38 Ų | 38 | 61.9 Ų | 61.9 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 171.9 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | G1009 I1010 S1017 | G1009-S1013 PolarHBondContact O-N 2.91Å; I1010-S1013 PolarHBondContact O-N 3.37Å; S1013-S1017 WeakPolarHBondContact O-CB 3.44Å; S1013-S1017 PolarHBondContact O-N 2.94Å; S1013-S1017 PolarHBondContact O-OG 3.19Å; S1013-S1017 VanDerWaalsContact O-OG 3.08Å |
| 1014 | S | 67.9 | Low | 62 | Low | 60 Ų | 60 | 62.8 Ų | 62.8 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.2 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | I1010 Q1012 S1017 A1018 | I1010-S1014 PolarHBondContact O-N 3Å; I1010-S1014 PolarHBondContact O-OG 2.93Å; Q1012-S1014 PolarHBondContact O-N 3.17Å; S1014-S1017 PolarHBondContact O-N 3.08Å; S1014-A1018 WeakPolarHBondContact O-CB 3.37Å; S1014-A1018 PolarHBondContact O-N 3.01Å |
| 1015 | A | 68.5 | Low | 61.5 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T974 I978 F1011 Q1012 H1019 | T974-A1015 HydrophobicContact CG2-CB 4.5Å; I978-A1015 HydrophobicContact CD1-CB 3.75Å; F1011-A1015 WeakPolarHBondContact O-CB 3.48Å; F1011-A1015 PolarHBondContact O-N 3.32Å; Q1012-A1015 PolarHBondContact O-N 3.01Å; A1015-H1019 WeakPolarHBondContact O-CB 3.15Å; A1015-H1019 PolarHBondContact O-N 3.28Å |
| 1016 | V | 67.8 | Low | 60.7 | Low | 22 Ų | 22 | 66.1 Ų | 66.1 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -53.9 | 171.4 | 169.3 | 0 | 0 | 0 | 0 | 110.1 | I978 L982 F994 Q1012 A1018 H1019 W1020 | I978-V1016 HydrophobicContact CD1-CG2 3.74Å; L982-V1016 HydrophobicContact CD1-CG2 4.15Å; F994-V1016 HydrophobicContact CE2-CG1 4.14Å; Q1012-V1016 WeakPolarHBondContact O-CB 3.4Å; Q1012-V1016 VanDerWaalsContact O-CG2 3.24Å; Q1012-V1016 WeakPolarHBondContact O-CG2 3.47Å; Q1012-V1016 PolarHBondContact O-N 3.38Å; V1016-A1018 VanDerWaalsContact C-N 3.28Å; V1016-A1018 PolarHBondContact O-N 3.04Å; V1016-H1019 WeakPolarHBondContact O-CB 3.17Å; V1016-H1019 PolarHBondContact O-N 3.37Å; V1016-W1020 VanDerWaalsContact CG1-CD1 3.46Å; V1016-W1020 VanDerWaalsContact O-CD1 3.23Å; V1016-W1020 PolarHBondContact O-N 3.15Å |
| 1017 | S | 65.7 | Low | 60 | Low | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.9 | -38.3 | 179.7 | -65.5 | 0 | 0 | 0 | 0 | 113.2 | F994 S1013 S1014 A1021 | F994-S1017 WeakPolarHBondContact CZ-OG 3.41Å; S1013-S1017 WeakPolarHBondContact O-CB 3.44Å; S1013-S1017 PolarHBondContact O-N 2.94Å; S1013-S1017 PolarHBondContact O-OG 3.19Å; S1013-S1017 VanDerWaalsContact O-OG 3.08Å; S1014-S1017 PolarHBondContact O-N 3.08Å; S1017-A1021 WeakPolarHBondContact O-CB 3.44Å; S1017-A1021 PolarHBondContact O-N 2.8Å |
| 1018 | A | 66.3 | Low | 59.5 | Low | 29 Ų | 29 | 65.9 Ų | 65.9 | 24% | 0.24 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I934 S1014 V1016 A1021 T1022 | I934-A1018 HydrophobicContact CD1-CB 3.94Å; S1014-A1018 WeakPolarHBondContact O-CB 3.37Å; S1014-A1018 PolarHBondContact O-N 3.01Å; V1016-A1018 VanDerWaalsContact C-N 3.28Å; V1016-A1018 PolarHBondContact O-N 3.04Å; A1018-A1021 WeakPolarHBondContact O-CB 3.4Å; A1018-A1021 PolarHBondContact O-N 3.24Å; A1018-T1022 PolarHBondContact O-N 3.41Å; A1018-T1022 PolarHBondContact O-OG1 3.45Å |
| 1019 | H | 67.2 | Low | 58.4 | Low | 15 Ų | 15 | 75 Ų | 75 | 7% | 0.069 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 177.7 | -169.2 | 42.6 | 0 | 0 | 0 | 112.6 | Y975 A1015 V1016 A1021 T1022 Q1023 | Y975-H1019 HydrophobicContact CD2-CB 4.32Å; Y975-H1019 HydrophobicContact CE2-CB 3.73Å; Y975-H1019 AromaticContact CE2-CG 3.63Å; Y975-H1019 AromaticContact CE2-ND1 3.57Å; Y975-H1019 AromaticContact CZ-ND1 3.78Å; Y975-H1019 PolarHBondContact OH-CE1 2.83Å; Y975-H1019 PolarHBondContact OH-ND1 3.11Å; Y975-H1019 VanDerWaalsContact OH-ND1 3.14Å; A1015-H1019 WeakPolarHBondContact O-CB 3.15Å; A1015-H1019 PolarHBondContact O-N 3.28Å; V1016-H1019 WeakPolarHBondContact O-CB 3.17Å; V1016-H1019 PolarHBondContact O-N 3.37Å; H1019-A1021 VanDerWaalsContact C-N 3.3Å; H1019-A1021 PolarHBondContact O-N 3.42Å; H1019-T1022 WeakPolarHBondContact CA-OG1 3.06Å; H1019-T1022 PolarHBondContact O-N 3.36Å; H1019-T1022 VanDerWaalsContact O-N 3.17Å; H1019-T1022 PolarHBondContact O-OG1 3.04Å; H1019-Q1023 PolarHBondContact CE1-NE2 2.56Å; H1019-Q1023 PolarHBondContact NE2-NE2 3.39Å; H1019-Q1023 PolarHBondContact O-N 2.79Å |
| 1020 | W | 63 | Low | 56.9 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 29% | 0.292 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 175.6 | -72.9 | 95.6 | 0 | 0 | 0 | 111.9 | L991 V1016 Q1023 C1024 | L991-W1020 HydrophobicContact CD2-CZ3 4.33Å; V1016-W1020 VanDerWaalsContact CG1-CD1 3.46Å; V1016-W1020 VanDerWaalsContact O-CD1 3.23Å; V1016-W1020 PolarHBondContact O-N 3.15Å; W1020-Q1023 PolarHBondContact O-N 3.23Å; W1020-C1024 WeakPolarHBondContact O-CB 3.29Å; W1020-C1024 PolarHBondContact O-N 3.3Å; W1020-C1024 PolarHBondContact O-SG 3.04Å; W1020-C1024 VanDerWaalsContact O-SG 3.4Å |
| 1021 | A | 60.4 | Low | 55.4 | Low | 58 Ų | 58 | 79.6 Ų | 79.6 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1017 A1018 H1019 Q1023 C1024 | S1017-A1021 WeakPolarHBondContact O-CB 3.44Å; S1017-A1021 PolarHBondContact O-N 2.8Å; A1018-A1021 WeakPolarHBondContact O-CB 3.4Å; A1018-A1021 PolarHBondContact O-N 3.24Å; H1019-A1021 VanDerWaalsContact C-N 3.3Å; H1019-A1021 PolarHBondContact O-N 3.42Å; A1021-Q1023 VanDerWaalsContact C-N 3.32Å; A1021-Q1023 PolarHBondContact O-N 3.1Å; A1021-C1024 PolarHBondContact O-N 2.65Å |
| 1022 | T | 58.9 | Low | 53.7 | Low | 68 Ų | 68 | 82.2 Ų | 82.2 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -31.7 | 176.9 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | A1018 H1019 | A1018-T1022 PolarHBondContact O-N 3.41Å; A1018-T1022 PolarHBondContact O-OG1 3.45Å; H1019-T1022 WeakPolarHBondContact CA-OG1 3.06Å; H1019-T1022 PolarHBondContact O-N 3.36Å; H1019-T1022 VanDerWaalsContact O-N 3.17Å; H1019-T1022 PolarHBondContact O-OG1 3.04Å |
| 1023 | Q | 54.4 | Low | 52 | Low | 77 Ų | 77 | 84.8 Ų | 84.8 | 36% | 0.36 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.9 | -27.9 | 175.7 | -70.5 | -169.2 | 2.1 | 0 | 0 | 113.5 | H1019 W1020 A1021 E1025 S1026 | H1019-Q1023 PolarHBondContact CE1-NE2 2.56Å; H1019-Q1023 PolarHBondContact NE2-NE2 3.39Å; H1019-Q1023 PolarHBondContact O-N 2.79Å; W1020-Q1023 PolarHBondContact O-N 3.23Å; A1021-Q1023 VanDerWaalsContact C-N 3.32Å; A1021-Q1023 PolarHBondContact O-N 3.1Å; Q1023-E1025 VanDerWaalsContact C-N 3.28Å; Q1023-E1025 PolarHBondContact O-N 2.65Å; Q1023-S1026 PolarHBondContact O-OG 2.84Å |
| 1024 | C | 50.4 | Low | 50.4 | Low | 108 Ų | 108 | 87.8 Ų | 87.8 | 73% | 0.73 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.8 | -16.5 | 179.6 | -80.6 | 0 | 0 | 0 | 0 | 114.5 | W1020 A1021 | W1020-C1024 WeakPolarHBondContact O-CB 3.29Å; W1020-C1024 PolarHBondContact O-N 3.3Å; W1020-C1024 PolarHBondContact O-SG 3.04Å; W1020-C1024 VanDerWaalsContact O-SG 3.4Å; A1021-C1024 PolarHBondContact O-N 2.65Å |
| 1025 | E | 46.8 | Very low | 48.9 | Very low | 118 Ų | 118 | 91.6 Ų | 91.6 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.9 | -179.2 | -71.6 | -154.8 | 95.4 | 0 | 0 | 115 | R905 Q1023 P1027 | R905-E1025 IonicContact CZ-OE1 2.91Å; R905-E1025 VanDerWaalsContact CZ-OE1 3.23Å; R905-E1025 IonicContact CZ-OE2 3.2Å; R905-E1025 IonicContact NH1-OE1 2.7Å; R905-E1025 PolarHBondContact NH1-OE1 2.86Å; R905-E1025 IonicContact NH1-OE2 3.22Å; R905-E1025 IonicContact NH2-OE1 3.54Å; R905-E1025 PolarHBondContact NH2-OE1 3.45Å; R905-E1025 IonicContact NH2-OE2 3.98Å; R905-E1025 PolarHBondContact NH2-OE2 2.65Å; Q1023-E1025 VanDerWaalsContact C-N 3.28Å; Q1023-E1025 PolarHBondContact O-N 2.65Å; E1025-P1027 WeakPolarHBondContact O-CD 3.42Å |
| 1026 | S | 39.6 | Very low | 47.1 | Very low | 83 Ų | 83 | 99.3 Ų | 99.3 | 58% | 0.58 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -81.8 | 110 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | Q1023 | Q1023-S1026 PolarHBondContact O-OG 2.84Š|
| 1027 | P | 40.4 | Very low | 45.6 | Very low | 110 Ų | 110 | 104 Ų | 104 | 71% | 0.714 | 60% | 0.601 | S | S | * | * | trans | -63.7 | 136.3 | 169 | 28.2 | -34.1 | 0 | 0 | 0 | 108.9 | E1025 K1029 | E1025-P1027 WeakPolarHBondContact O-CD 3.42Å; P1027-K1029 PolarHBondContact O-N 2.89Å | ||
| 1028 | P | 42.4 | Very low | 43.9 | Very low | 105 Ų | 105 | 111.4 Ų | 111.4 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | trans | -62.7 | 132.5 | 178.3 | 26.5 | -33.8 | 0 | 0 | 0 | 109.5 | M1030 | P1028-M1030 HydrophobicContact CB-CG 4.27Å; P1028-M1030 HydrophobicContact CG-CG 4.41Å; P1028-M1030 PolarHBondContact O-N 3.43Å | ||
| 1029 | K | 33.1 | Very low | 42.4 | Very low | 220 Ų | 220 | 118 Ų | 118 | 96% | 0.957 | 66% | 0.656 | S | S | * | * | trans | -69.5 | 72.5 | 173.4 | -71.3 | -177.1 | 177.6 | 177.4 | 0 | 110.5 | P1027 | P1027-K1029 PolarHBondContact O-N 2.89Š| ||
| 1030 | M | 35 | Very low | 40.8 | Very low | 157 Ų | 157 | 120.2 Ų | 120.2 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -85.8 | 134 | 171.5 | -67.8 | -159.3 | 70.5 | 0 | 0 | 110.4 | P1028 | P1028-M1030 HydrophobicContact CB-CG 4.27Å; P1028-M1030 HydrophobicContact CG-CG 4.41Å; P1028-M1030 PolarHBondContact O-N 3.43Å | ||
| 1031 | T | 32.1 | Very low | 39.6 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -61.2 | 139.1 | 168.7 | 41.2 | 0 | 0 | 0 | 0 | 110.3 | V1033 | T1031-V1033 PolarHBondContact O-N 3.42Š| ||
| 1032 | P | 32.6 | Very low | 38.2 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | trans | -75.7 | 100.9 | -174.7 | 29.6 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 1033 | V | 34.4 | Very low | 37 | Very low | 130 Ų | 130 | 135 Ų | 135 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -128.4 | 130.7 | 162.4 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | T1031 | T1031-V1033 PolarHBondContact O-N 3.42Š| ||
| 1034 | S | 31.4 | Very low | 36.3 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -71.8 | 142.5 | -175.2 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1035 | I | 36.5 | Very low | 35.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | -176.3 | 153.4 | 118.6 | -93 | 157.4 | 0 | 0 | 0 | 110.6 | |||||
| 1036 | Q | 30.7 | Very low | 34.9 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -75 | 143.1 | -172.7 | -52.9 | 167.6 | 10 | 0 | 0 | 113.6 | ||||
| 1037 | S | 35.5 | Very low | 34.9 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -157.5 | 143.9 | 139.3 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1038 | K | 30.8 | Very low | 34.4 | Very low | 207 Ų | 207 | 142.6 Ų | 142.6 | 90% | 0.9 | 76% | 0.76 | S | S | * | * | trans | -105.2 | 125.7 | 176.8 | -69.9 | 174.6 | 179.1 | 171.2 | 0 | 109.9 | ||||
| 1039 | I | 35.8 | Very low | 33.9 | Very low | 168 Ų | 168 | 147 Ų | 147 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | trans | -147.3 | 137.6 | 159.1 | -99.6 | 145.2 | 0 | 0 | 0 | 107.8 | ||||
| 1040 | G | 32.3 | Very low | 34 | Very low | 62 Ų | 62 | 140.2 Ų | 140.2 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | -96.8 | 144 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1042 | G1040-T1042 PolarHBondContact O-N 2.88Š| ||
| 1041 | Y | 37.3 | Very low | 34.1 | Very low | 234 Ų | 234 | 141 Ų | 141 | 92% | 0.918 | 76% | 0.758 | S | S | * | * | trans | -79.4 | 14.3 | 173.7 | -76.4 | -82.9 | 0 | 0 | 0 | 114.4 | N1043 | Y1041-N1043 PolarHBondContact O-N 3.2Š| ||
| 1042 | T | 32.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -84.4 | 66.4 | -174.3 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | G1040 | G1040-T1042 PolarHBondContact O-N 2.88Š| ||
| 1043 | N | 31.8 | Very low | 34.1 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -164.2 | 42.8 | 170.7 | -104.5 | -27.8 | 0 | 0 | 0 | 116.5 | Y1041 | Y1041-N1043 PolarHBondContact O-N 3.2Š| ||
| 1044 | V | 40.2 | Very low | 34 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 48% | 0.479 | 75% | 0.748 | S | S | . | * | trans | -128.2 | 96.8 | 173.3 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | F1046 | V1044-F1046 HydrophobicContact CG1-CD1 4.38Å; V1044-F1046 HydrophobicContact CG1-CD2 4.29Å; V1044-F1046 HydrophobicContact CG1-CE1 3.84Å; V1044-F1046 HydrophobicContact CG1-CE2 3.73Å; V1044-F1046 HydrophobicContact CG1-CZ 3.47Å; V1044-F1046 VanDerWaalsContact CG1-CZ 3.47Å; V1044-F1046 PolarHBondContact O-N 3.35Å | ||
| 1045 | P | 33.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -9.9 | -166.3 | -23.2 | 35.4 | 0 | 0 | 0 | 117.9 | ||
| 1046 | F | 35.7 | Very low | 33.8 | Very low | 119 Ų | 119 | 146.4 Ų | 146.4 | 52% | 0.522 | 76% | 0.756 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.6 | 12.3 | -160.9 | 49.9 | -98.9 | 0 | 0 | 0 | 116 | S995 V1044 | S995-F1046 WeakPolarHBondContact OG-CE2 3.43Å; S995-F1046 WeakPolarHBondContact OG-CZ 3.43Å; V1044-F1046 HydrophobicContact CG1-CD1 4.38Å; V1044-F1046 HydrophobicContact CG1-CD2 4.29Å; V1044-F1046 HydrophobicContact CG1-CE1 3.84Å; V1044-F1046 HydrophobicContact CG1-CE2 3.73Å; V1044-F1046 HydrophobicContact CG1-CZ 3.47Å; V1044-F1046 VanDerWaalsContact CG1-CZ 3.47Å; V1044-F1046 PolarHBondContact O-N 3.35Å |
| 1047 | L | 38.4 | Very low | 34 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | -113.9 | 53.2 | 170.2 | -69.9 | 176.7 | 0 | 0 | 0 | 111.8 | ||||
| 1048 | R | 31 | Very low | 34.1 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | -87.6 | 160.3 | 162.9 | -67.3 | -172 | 176.1 | -160.6 | -2.1 | 109.7 | ||||
| 1049 | H | 30.8 | Very low | 34.2 | Very low | 197 Ų | 197 | 140.9 Ų | 140.9 | 91% | 0.912 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 80.8 | 54.9 | -173.8 | -41.7 | 99.2 | 0 | 0 | 0 | 115.8 | ||
| 1050 | A | 35 | Very low | 34.3 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -157.3 | -41.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1052 | A1050-Y1052 PolarHBondContact O-N 2.87Š|
| 1051 | Q | 36.8 | Very low | 34.4 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -86.1 | 1.5 | -167.8 | -69.1 | 179.5 | -28 | 0 | 0 | 116.4 | G1053 | Q1051-G1053 PolarHBondContact O-N 3.4Š|
| 1052 | Y | 33.9 | Very low | 34.4 | Very low | 243 Ų | 243 | 145.9 Ų | 145.9 | 95% | 0.953 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -86.5 | 87.1 | 164.3 | -90.4 | -89.7 | 0 | 0 | 0 | 108.5 | A1050 | A1050-Y1052 PolarHBondContact O-N 2.87Š|
| 1053 | G | 32.1 | Very low | 34.4 | Very low | 47 Ų | 47 | 147.2 Ų | 147.2 | 49% | 0.485 | 74% | 0.737 | S | S | . | * | S | Bend | trans | 167.6 | -28.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1051 S1055 | Q1051-G1053 PolarHBondContact O-N 3.4Å; G1053-S1055 VanDerWaalsContact C-N 3.3Å; G1053-S1055 PolarHBondContact O-N 3.47Å |
| 1054 | H | 32.5 | Very low | 34.3 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | -93.9 | 37.5 | -177.4 | -61.5 | -66.8 | 0 | 0 | 0 | 114.2 | E1056 | H1054-E1056 VanDerWaalsContact C-N 3.31Š| ||
| 1055 | S | 32.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -97.9 | 24.1 | 160.4 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | G1053 | G1053-S1055 VanDerWaalsContact C-N 3.3Å; G1053-S1055 PolarHBondContact O-N 3.47Å | ||
| 1056 | E | 31.3 | Very low | 33.7 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -107.1 | 43.9 | 168.8 | -65.9 | -165.2 | 169.9 | 0 | 0 | 111.9 | H1054 P1058 | H1054-E1056 VanDerWaalsContact C-N 3.31Å; E1056-P1058 WeakPolarHBondContact O-CD 3.48Å | ||
| 1057 | L | 34.3 | Very low | 33.6 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -62.9 | 122.9 | 137.9 | -75 | 175.4 | 0 | 0 | 0 | 105.7 | L1059 | L1057-L1059 PolarHBondContact O-N 2.94Š|
| 1058 | P | 36.8 | Very low | 33.4 | Very low | 78 Ų | 78 | 149.8 Ų | 149.8 | 51% | 0.506 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 118.8 | 167.1 | 28.7 | -34.1 | 0 | 0 | 0 | 106.3 | E1056 | E1056-P1058 WeakPolarHBondContact O-CD 3.48Š|
| 1059 | L | 32.5 | Very low | 33.3 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.5 | 160.8 | -78.4 | 80.8 | 0 | 0 | 0 | 105.5 | L1057 R1061 | L1057-L1059 PolarHBondContact O-N 2.94Å; L1059-R1061 PolarHBondContact O-N 3.38Å |
| 1060 | P | 39.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 136.6 | 178.5 | 22.1 | -32.7 | 0 | 0 | 0 | 107.7 | R1062 | P1060-R1062 PolarHBondContact O-N 3.26Š|
| 1061 | R | 33.8 | Very low | 33.6 | Very low | 233 Ų | 233 | 142.9 Ų | 142.9 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -67.2 | 78.6 | -176 | -87.2 | -174.1 | 169.5 | -178.8 | -2.4 | 109.6 | L1059 I1063 | L1059-R1061 PolarHBondContact O-N 3.38Å; R1061-I1063 PolarHBondContact O-N 3.48Å | ||
| 1062 | R | 36.3 | Very low | 33.4 | Very low | 225 Ų | 225 | 139.8 Ų | 139.8 | 85% | 0.849 | 72% | 0.72 | S | S | * | * | trans | -62 | 100.7 | 173.5 | -161.1 | 179.2 | -159.5 | -169.4 | 5.8 | 105.8 | P1060 V1064 | P1060-R1062 PolarHBondContact O-N 3.26Å; R1062-V1064 HydrophobicContact CG-CG2 4.46Å; R1062-V1064 PolarHBondContact O-N 2.96Å | ||
| 1063 | I | 33.8 | Very low | 33.6 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -68.1 | 86.6 | 173.7 | -59.6 | -179.9 | 0 | 0 | 0 | 106.2 | R1061 K1065 | R1061-I1063 PolarHBondContact O-N 3.48Å; I1063-K1065 VanDerWaalsContact C-N 3.29Å; I1063-K1065 PolarHBondContact O-N 2.94Å | ||
| 1064 | V | 28.5 | Very low | 33.6 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | trans | -67.4 | 94.8 | 170.4 | 177.4 | 0 | 0 | 0 | 0 | 105.8 | R1062 | R1062-V1064 HydrophobicContact CG-CG2 4.46Å; R1062-V1064 PolarHBondContact O-N 2.96Å | ||
| 1065 | K | 31.4 | Very low | 33.8 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -52.5 | 133.3 | 158.3 | -70.3 | -174.2 | 176.6 | -176.7 | 0 | 106.9 | I1063 V1067 | I1063-K1065 VanDerWaalsContact C-N 3.29Å; I1063-K1065 PolarHBondContact O-N 2.94Å; K1065-V1067 PolarHBondContact O-N 3.28Å | ||
| 1066 | P | 29.7 | Very low | 34.2 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -65 | 101.5 | 177.9 | 26.3 | -33.2 | 0 | 0 | 0 | 109.1 | ||||
| 1067 | V | 34.7 | Very low | 34.7 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -78.7 | 127.3 | 164.2 | 179.8 | 0 | 0 | 0 | 0 | 106.4 | K1065 H1069 | K1065-V1067 PolarHBondContact O-N 3.28Å; V1067-H1069 PolarHBondContact O-N 2.89Å | ||
| 1068 | P | 33.7 | Very low | 35 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -53.5 | 139.4 | 178.3 | -28.7 | 36.4 | 0 | 0 | 0 | 112.5 | Q1070 | P1068-Q1070 PolarHBondContact O-N 3.43Š| ||
| 1069 | H | 28.4 | Very low | 35.3 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | trans | -78.8 | 108.3 | -176.9 | -180 | 62.2 | 0 | 0 | 0 | 110.5 | V1067 V1071 | V1067-H1069 PolarHBondContact O-N 2.89Å; H1069-V1071 VanDerWaalsContact CE1-CG2 3.47Å; H1069-V1071 WeakPolarHBondContact CE1-CG2 3.19Å; H1069-V1071 VanDerWaalsContact NE2-CG2 3.28Å; H1069-V1071 WeakPolarHBondContact NE2-CG2 3.35Å | ||
| 1070 | Q | 35.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | trans | -120.8 | 154.9 | 155.9 | -87.1 | -169.4 | -9.5 | 0 | 0 | 111 | P1068 | P1068-Q1070 PolarHBondContact O-N 3.43Š| ||
| 1071 | V | 37.5 | Very low | 36.2 | Very low | 25 Ų | 25 | 148.1 Ų | 148.1 | 15% | 0.152 | 71% | 0.706 | C | S | . | * | trans | -126.6 | 123.5 | -149.9 | -180 | 0 | 0 | 0 | 0 | 109.7 | H1069 G1430 | H1069-V1071 VanDerWaalsContact CE1-CG2 3.47Å; H1069-V1071 WeakPolarHBondContact CE1-CG2 3.19Å; H1069-V1071 VanDerWaalsContact NE2-CG2 3.28Å; H1069-V1071 WeakPolarHBondContact NE2-CG2 3.35Å; V1071-G1430 PolarHBondContact O-N 2.82Å | ||
| 1072 | V | 32.9 | Very low | 36.5 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | trans | 49.1 | 115.1 | 154.6 | 178.9 | 0 | 0 | 0 | 0 | 117 | K1074 | V1072-K1074 HydrophobicContact CG1-CB 4.3Š| ||
| 1073 | E | 37.6 | Very low | 36.7 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | -131.8 | 149.7 | 111.1 | -121.9 | -143.6 | 151.9 | 0 | 0 | 113.1 | R1075 | E1073-R1075 IonicContact OE1-NH2 2.86Å; E1073-R1075 PolarHBondContact OE1-NH2 3.27Å | |||
| 1074 | K | 32.3 | Very low | 37.1 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | trans | -117.3 | 65.2 | -154.9 | -171.3 | -175.4 | 176.9 | -178.1 | 0 | 110.9 | V1072 | V1072-K1074 HydrophobicContact CG1-CB 4.3Š| ||
| 1075 | R | 36.9 | Very low | 37.4 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | trans | -149.5 | 3.5 | -176.1 | -129.4 | -179.7 | -59.5 | -157.6 | 4.2 | 119.2 | E1073 | E1073-R1075 IonicContact OE1-NH2 2.86Å; E1073-R1075 PolarHBondContact OE1-NH2 3.27Å | ||
| 1076 | Q | 41 | Very low | 37.6 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -114.8 | -14.6 | -169.7 | -148.4 | 153.1 | -3.4 | 0 | 0 | 116.2 | ||
| 1077 | R | 41.4 | Very low | 37.9 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -30.9 | -180 | -171 | 168.7 | -74.3 | 178.3 | -2.8 | 113.9 | L1079 E1080 D1081 | R1077-L1079 PolarHBondContact O-N 2.78Å; R1077-E1080 PolarHBondContact O-N 2.79Å; R1077-D1081 PolarHBondContact O-N 2.73Å |
| 1078 | E | 40 | Very low | 37.9 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.9 | -16 | 178.2 | -65.4 | -178.1 | 140.6 | 0 | 0 | 113.5 | Q1082 | E1078-Q1082 VanDerWaalsContact O-CG 3.3Å; E1078-Q1082 WeakPolarHBondContact O-CG 3.17Å; E1078-Q1082 PolarHBondContact O-NE2 3Å |
| 1079 | L | 43.4 | Very low | 37.8 | Very low | 124 Ų | 124 | 145 Ų | 145 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -88.7 | -19.3 | 176.3 | -96.9 | 164.5 | 0 | 0 | 0 | 113.9 | R1077 | R1077-L1079 PolarHBondContact O-N 2.78Å |
| 1080 | E | 45.8 | Very low | 37.8 | Very low | 140 Ų | 140 | 148 Ų | 148 | 65% | 0.654 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.9 | -41 | 171.8 | -68.6 | -173.2 | 121.3 | 0 | 0 | 111.1 | R1077 Q1082 R1083 T1084 | R1077-E1080 PolarHBondContact O-N 2.79Å; E1080-Q1082 PolarHBondContact O-N 2.85Å; E1080-R1083 WeakPolarHBondContact O-CB 3.43Å; E1080-R1083 PolarHBondContact O-N 3.22Å; E1080-T1084 PolarHBondContact O-N 3.27Å; E1080-T1084 PolarHBondContact O-OG1 3.24Å |
| 1081 | D | 45 | Very low | 37.5 | Very low | 89 Ų | 89 | 149.5 Ų | 149.5 | 48% | 0.476 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -62.7 | -27.8 | 176.3 | -73.8 | -30.5 | 0 | 0 | 0 | 112.7 | R1077 T1084 N1085 | R1077-D1081 PolarHBondContact O-N 2.73Å; D1081-T1084 PolarHBondContact O-OG1 2.81Å; D1081-N1085 PolarHBondContact O-ND2 2.88Å |
| 1082 | Q | 40 | Very low | 37 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -77.1 | -19 | 171.6 | -74.5 | -178.9 | 35.6 | 0 | 0 | 113.7 | E1078 E1080 | E1078-Q1082 VanDerWaalsContact O-CG 3.3Å; E1078-Q1082 WeakPolarHBondContact O-CG 3.17Å; E1078-Q1082 PolarHBondContact O-NE2 3Å; E1080-Q1082 PolarHBondContact O-N 2.85Å |
| 1083 | R | 42.1 | Very low | 36.8 | Very low | 211 Ų | 211 | 153.8 Ų | 153.8 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -88.5 | -26.2 | -176.6 | -153 | 169.8 | -169.3 | 163.4 | 2.8 | 112.8 | E1080 | E1080-R1083 WeakPolarHBondContact O-CB 3.43Å; E1080-R1083 PolarHBondContact O-N 3.22Å |
| 1084 | T | 40.7 | Very low | 36.4 | Very low | 93 Ų | 93 | 152.8 Ų | 152.8 | 57% | 0.571 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -83.9 | -35.8 | 173.1 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | E1080 D1081 L1086 Q1087 | E1080-T1084 PolarHBondContact O-N 3.27Å; E1080-T1084 PolarHBondContact O-OG1 3.24Å; D1081-T1084 PolarHBondContact O-OG1 2.81Å; T1084-L1086 PolarHBondContact O-N 3.42Å; T1084-Q1087 PolarHBondContact O-N 3.14Å |
| 1085 | N | 35.9 | Very low | 36.3 | Very low | 125 Ų | 125 | 152.6 Ų | 152.6 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 1 | -178.1 | -84.3 | -78.3 | 0 | 0 | 0 | 115.7 | D1081 | D1081-N1085 PolarHBondContact O-ND2 2.88Š|
| 1086 | L | 35.6 | Very low | 35.9 | Very low | 152 Ų | 152 | 154.8 Ų | 154.8 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -2.3 | 178.9 | -96.3 | 166.5 | 0 | 0 | 0 | 114.9 | T1084 | T1084-L1086 PolarHBondContact O-N 3.42Š|
| 1087 | Q | 36.8 | Very low | 35.5 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -24.4 | -171.3 | -154.3 | 158.8 | 2.6 | 0 | 0 | 115.3 | T1084 | T1084-Q1087 PolarHBondContact O-N 3.14Š|
| 1088 | D | 33.8 | Very low | 34.8 | Very low | 139 Ų | 139 | 150 Ų | 150 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -86.6 | -11.5 | 179.7 | -89.1 | -9.2 | 0 | 0 | 0 | 114.7 | R1090 | D1088-R1090 VanDerWaalsContact C-N 3.33Å; D1088-R1090 PolarHBondContact O-N 2.96Å; D1088-R1090 VanDerWaalsContact O-N 3.1Å |
| 1089 | Q | 30.9 | Very low | 34.5 | Very low | 177 Ų | 177 | 153 Ų | 153 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | trans | -89.7 | 49 | -171.5 | -158.2 | 173.7 | 96.9 | 0 | 0 | 114.2 | ||||
| 1090 | R | 28.4 | Very low | 33.9 | Very low | 225 Ų | 225 | 158.6 Ų | 158.6 | 85% | 0.849 | 77% | 0.765 | S | S | * | * | trans | -165.4 | 79.1 | 168.4 | -113.7 | 173.3 | -150.6 | -154.9 | 7.3 | 115.4 | D1088 | D1088-R1090 VanDerWaalsContact C-N 3.33Å; D1088-R1090 PolarHBondContact O-N 2.96Å; D1088-R1090 VanDerWaalsContact O-N 3.1Å | ||
| 1091 | Q | 29.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 157.1 Ų | 157.1 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | 168.7 | 106.9 | 130.5 | -94.4 | 161.3 | 100.9 | 0 | 0 | 114.2 | ||||
| 1092 | L | 28.2 | Very low | 32.6 | Very low | 164 Ų | 164 | 158.2 Ų | 158.2 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 175.2 | 135.1 | 130.6 | -117.3 | 68.5 | 0 | 0 | 0 | 107.6 | ||||
| 1093 | G | 28 | Very low | 32 | Very low | 60 Ų | 60 | 158.6 Ų | 158.6 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | cis | -176.2 | -171.5 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1094 | T | 28.7 | Very low | 31.4 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 58.6 | 139.5 | 153.5 | 29.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1095 | E | 30.7 | Very low | 31 | Very low | 186 Ų | 186 | 158 Ų | 158 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | cis | -137.5 | 179.9 | 5.6 | -63.2 | -159.6 | 131.8 | 0 | 0 | 113 | ||||
| 1096 | R | 27.9 | Very low | 31.1 | Very low | 235 Ų | 235 | 160.6 Ų | 160.6 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | -106 | 162.3 | 173.4 | -61.2 | 175.7 | 167.6 | 175.7 | -4 | 110.7 | ||||
| 1097 | P | 33.6 | Very low | 31.3 | Very low | 112 Ų | 112 | 162.9 Ų | 162.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | -153.2 | 138.9 | 94 | 35.5 | -15.5 | 0 | 0 | 0 | 118.8 | |||||
| 1098 | N | 26.6 | Very low | 31.4 | Very low | 147 Ų | 147 | 160.9 Ų | 160.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 60.4 | 108.6 | 138.6 | -59.5 | -26.2 | 0 | 0 | 0 | 123 | ||||
| 1099 | K | 33.6 | Very low | 31.9 | Very low | 209 Ų | 209 | 158.1 Ų | 158.1 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | -174.9 | 117.3 | 101.1 | -96.8 | 163.3 | -175.5 | 175.3 | 0 | 115 | |||||
| 1100 | R | 30.6 | Very low | 32.4 | Very low | 241 Ų | 241 | 154 Ų | 154 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -5 | 161.7 | 152.8 | -73.6 | -178.9 | -178.6 | -176.2 | -0.4 | 121.3 | ||||
| 1101 | P | 33.1 | Very low | 33.2 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | cis | -140.3 | -167.7 | -14.6 | 37.1 | -15.9 | 0 | 0 | 0 | 115.5 | ||||
| 1102 | C | 29.7 | Very low | 33.9 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | 75.4 | 148.3 | 167.9 | -63.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1103 | L | 28.9 | Very low | 34.7 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | cis | -166.5 | 154.2 | -27.9 | -117.7 | 170.4 | 0 | 0 | 0 | 107.7 | ||||
| 1104 | M | 28.9 | Very low | 35.7 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | trans | 59 | 59.3 | 163.8 | -58 | -176 | 69 | 0 | 0 | 120.2 | ||||
| 1105 | V | 32.8 | Very low | 36.9 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | trans | -141.1 | 64.7 | 153 | -164 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1106 | E | 36.8 | Very low | 38.1 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -133.3 | -5.5 | 170.3 | -116.3 | 164.9 | -169.8 | 0 | 0 | 113.3 | ||
| 1107 | R | 39.5 | Very low | 39.1 | Very low | 199 Ų | 199 | 130.8 Ų | 130.8 | 75% | 0.751 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.2 | -35.7 | 175.5 | -148.8 | 178.9 | -179.3 | 127.7 | 3.6 | 112.9 | V1109 E1110 D1111 | R1107-V1109 PolarHBondContact O-N 3.03Å; R1107-V1109 VanDerWaalsContact O-N 3.14Å; R1107-E1110 PolarHBondContact O-N 3.03Å; R1107-D1111 WeakPolarHBondContact CG-OD2 3.38Å; R1107-D1111 VanDerWaalsContact O-CB 3.29Å; R1107-D1111 WeakPolarHBondContact O-CB 3.29Å; R1107-D1111 PolarHBondContact O-N 3.33Å |
| 1108 | M | 39.7 | Very low | 40.1 | Very low | 129 Ų | 129 | 127 Ų | 127 | 64% | 0.635 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.1 | -17.8 | -177.6 | -78.4 | -177 | 68.9 | 0 | 0 | 115.2 | V1112 | M1108-V1112 WeakPolarHBondContact O-CB 3.24Å; M1108-V1112 WeakPolarHBondContact O-CG2 3.48Å; M1108-V1112 PolarHBondContact O-N 3.02Å |
| 1109 | V | 43.5 | Very low | 41.6 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -85.1 | -44.5 | -178.7 | 178.9 | 0 | 0 | 0 | 0 | 111 | R1107 V1112 K1113 | R1107-V1109 PolarHBondContact O-N 3.03Å; R1107-V1109 VanDerWaalsContact O-N 3.14Å; V1109-V1112 PolarHBondContact O-N 3.4Å; V1109-K1113 WeakPolarHBondContact O-CG 3.43Å; V1109-K1113 PolarHBondContact O-N 3.39Å |
| 1110 | E | 41.8 | Very low | 42.2 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 42% | 0.421 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.3 | -44.7 | 168.4 | -93.7 | 44 | -125.1 | 0 | 0 | 110.8 | R1107 V1112 K1113 D1114 | R1107-E1110 PolarHBondContact O-N 3.03Å; E1110-V1112 PolarHBondContact O-N 2.71Å; E1110-K1113 PolarHBondContact O-N 3.22Å; E1110-K1113 VanDerWaalsContact O-N 3.1Å; E1110-K1113 WeakPolarHBondContact OE1-CD 3.46Å; E1110-K1113 WeakPolarHBondContact OE1-CE 3.47Å; E1110-K1113 IonicContact OE1-NZ 2.77Å; E1110-K1113 PolarHBondContact OE1-NZ 3.4Å; E1110-K1113 IonicContact OE2-NZ 2.67Å; E1110-D1114 WeakPolarHBondContact O-CB 3.3Å; E1110-D1114 PolarHBondContact O-N 2.99Å |
| 1111 | D | 44.3 | Very low | 42.8 | Very low | 82 Ų | 82 | 116.9 Ų | 116.9 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.8 | -34.2 | 173.7 | -67.3 | -25.4 | 0 | 0 | 0 | 111.3 | R1107 Y1115 | R1107-D1111 WeakPolarHBondContact CG-OD2 3.38Å; R1107-D1111 VanDerWaalsContact O-CB 3.29Å; R1107-D1111 WeakPolarHBondContact O-CB 3.29Å; R1107-D1111 PolarHBondContact O-N 3.33Å; D1111-Y1115 WeakPolarHBondContact O-CA 3.37Å; D1111-Y1115 WeakPolarHBondContact O-CB 3.43Å; D1111-Y1115 PolarHBondContact O-N 3.34Å |
| 1112 | V | 45.1 | Very low | 43.4 | Very low | 78 Ų | 78 | 118.2 Ų | 118.2 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77.5 | -36.4 | 174.5 | 164.8 | 0 | 0 | 0 | 0 | 112.8 | M1108 V1109 E1110 D1114 Y1115 V1116 | M1108-V1112 WeakPolarHBondContact O-CB 3.24Å; M1108-V1112 WeakPolarHBondContact O-CG2 3.48Å; M1108-V1112 PolarHBondContact O-N 3.02Å; V1109-V1112 PolarHBondContact O-N 3.4Å; E1110-V1112 PolarHBondContact O-N 2.71Å; V1112-D1114 VanDerWaalsContact C-N 3.32Å; V1112-Y1115 PolarHBondContact O-N 2.79Å; V1112-V1116 HydrophobicContact CG1-CG2 4.42Å; V1112-V1116 WeakPolarHBondContact O-CB 3.26Å; V1112-V1116 VanDerWaalsContact O-CG2 3.27Å; V1112-V1116 WeakPolarHBondContact O-CG2 3.39Å; V1112-V1116 PolarHBondContact O-N 3.45Å |
| 1113 | K | 44.5 | Very low | 43.8 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 47% | 0.47 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.6 | -40 | 172.2 | -74 | 174.1 | -165 | 161.3 | 0 | 111.5 | V1109 E1110 V1116 R1117 | V1109-K1113 WeakPolarHBondContact O-CG 3.43Å; V1109-K1113 PolarHBondContact O-N 3.39Å; E1110-K1113 PolarHBondContact O-N 3.22Å; E1110-K1113 VanDerWaalsContact O-N 3.1Å; E1110-K1113 WeakPolarHBondContact OE1-CD 3.46Å; E1110-K1113 WeakPolarHBondContact OE1-CE 3.47Å; E1110-K1113 IonicContact OE1-NZ 2.77Å; E1110-K1113 PolarHBondContact OE1-NZ 3.4Å; E1110-K1113 IonicContact OE2-NZ 2.67Å; K1113-V1116 PolarHBondContact O-N 2.88Å; K1113-R1117 WeakPolarHBondContact O-CB 3.4Å; K1113-R1117 PolarHBondContact O-N 3.36Å |
| 1114 | D | 49.8 | Very low | 44.2 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 40% | 0.401 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.2 | -25.4 | -179.7 | -66.7 | -7 | 0 | 0 | 0 | 111.5 | E1110 V1112 R1117 S1118 | E1110-D1114 WeakPolarHBondContact O-CB 3.3Å; E1110-D1114 PolarHBondContact O-N 2.99Å; V1112-D1114 VanDerWaalsContact C-N 3.32Å; D1114-R1117 IonicContact OD1-CZ 3.64Å; D1114-R1117 IonicContact OD1-NH1 3.16Å; D1114-R1117 PolarHBondContact OD1-NH1 2.79Å; D1114-R1117 IonicContact OD1-NH2 3.94Å; D1114-R1117 PolarHBondContact OD1-NH2 2.99Å; D1114-S1118 VanDerWaalsContact O-CB 3.22Å; D1114-S1118 WeakPolarHBondContact O-CB 3.28Å; D1114-S1118 PolarHBondContact O-N 3.29Å; D1114-S1118 PolarHBondContact O-OG 3.21Å |
| 1115 | Y | 54.3 | Low | 44.7 | Very low | 149 Ų | 149 | 107.6 Ų | 107.6 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.8 | -41.6 | 164.7 | -175.5 | -118.9 | 0 | 0 | 0 | 111.6 | D1111 V1112 S1118 I1119 | D1111-Y1115 WeakPolarHBondContact O-CA 3.37Å; D1111-Y1115 WeakPolarHBondContact O-CB 3.43Å; D1111-Y1115 PolarHBondContact O-N 3.34Å; V1112-Y1115 PolarHBondContact O-N 2.79Å; Y1115-S1118 WeakPolarHBondContact CA-OG 3.33Å; Y1115-S1118 PolarHBondContact O-N 2.74Å; Y1115-S1118 PolarHBondContact O-OG 3.04Å; Y1115-I1119 HydrophobicContact CD1-CD1 3.78Å; Y1115-I1119 HydrophobicContact CD2-CD1 4.42Å; Y1115-I1119 HydrophobicContact CE1-CD1 3.46Å; Y1115-I1119 VanDerWaalsContact CE1-CD1 3.46Å; Y1115-I1119 HydrophobicContact CE2-CD1 4.14Å; Y1115-I1119 HydrophobicContact CE2-CG1 4.4Å; Y1115-I1119 HydrophobicContact CG-CD1 4.26Å; Y1115-I1119 VanDerWaalsContact O-CB 3.32Å; Y1115-I1119 WeakPolarHBondContact O-CB 3.26Å; Y1115-I1119 VanDerWaalsContact O-CG1 3.27Å; Y1115-I1119 WeakPolarHBondContact O-CG1 3.41Å; Y1115-I1119 PolarHBondContact O-N 3.17Å |
| 1116 | V | 54.9 | Low | 44.9 | Very low | 85 Ų | 85 | 108.5 Ų | 108.5 | 52% | 0.515 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 173.2 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | V1112 K1113 I1119 R1120 | V1112-V1116 HydrophobicContact CG1-CG2 4.42Å; V1112-V1116 WeakPolarHBondContact O-CB 3.26Å; V1112-V1116 VanDerWaalsContact O-CG2 3.27Å; V1112-V1116 WeakPolarHBondContact O-CG2 3.39Å; V1112-V1116 PolarHBondContact O-N 3.45Å; K1113-V1116 PolarHBondContact O-N 2.88Å; V1116-I1119 PolarHBondContact O-N 2.85Å; V1116-R1120 WeakPolarHBondContact O-CB 3.46Å; V1116-R1120 PolarHBondContact O-N 3.49Å |
| 1117 | R | 50.2 | Low | 44.7 | Very low | 125 Ų | 125 | 104.8 Ų | 104.8 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 173.5 | -156.4 | -176 | -56.9 | 109.6 | 19.2 | 111.1 | K1113 D1114 I1119 R1120 E1121 | K1113-R1117 WeakPolarHBondContact O-CB 3.4Å; K1113-R1117 PolarHBondContact O-N 3.36Å; D1114-R1117 IonicContact OD1-CZ 3.64Å; D1114-R1117 IonicContact OD1-NH1 3.16Å; D1114-R1117 PolarHBondContact OD1-NH1 2.79Å; D1114-R1117 IonicContact OD1-NH2 3.94Å; D1114-R1117 PolarHBondContact OD1-NH2 2.99Å; R1117-I1119 VanDerWaalsContact C-N 3.34Å; R1117-I1119 PolarHBondContact O-N 2.91Å; R1117-R1120 CarbonylContact O-C 3.53Å; R1117-R1120 WeakPolarHBondContact O-CA 3.46Å; R1117-R1120 WeakPolarHBondContact O-CB 3.35Å; R1117-R1120 PolarHBondContact O-N 3.48Å; R1117-E1121 WeakPolarHBondContact CG-OE1 3.36Å; R1117-E1121 WeakPolarHBondContact O-CG 3.48Å; R1117-E1121 PolarHBondContact O-N 2.92Å |
| 1118 | S | 54.6 | Low | 44.6 | Very low | 32 Ų | 32 | 101.2 Ų | 101.2 | 22% | 0.224 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -72.3 | -21.6 | 176.5 | 66.2 | 0 | 0 | 0 | 0 | 114 | D1114 Y1115 K1122 | D1114-S1118 VanDerWaalsContact O-CB 3.22Å; D1114-S1118 WeakPolarHBondContact O-CB 3.28Å; D1114-S1118 PolarHBondContact O-N 3.29Å; D1114-S1118 PolarHBondContact O-OG 3.21Å; Y1115-S1118 WeakPolarHBondContact CA-OG 3.33Å; Y1115-S1118 PolarHBondContact O-N 2.74Å; Y1115-S1118 PolarHBondContact O-OG 3.04Å; S1118-K1122 WeakPolarHBondContact O-CB 3.5Å; S1118-K1122 WeakPolarHBondContact O-CD 3.48Å; S1118-K1122 WeakPolarHBondContact O-CG 3.37Å; S1118-K1122 PolarHBondContact O-N 3.3Å |
| 1119 | I | 58.1 | Low | 44.4 | Very low | 78 Ų | 78 | 102.6 Ų | 102.6 | 40% | 0.4 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.4 | -43.4 | 163.8 | -78.9 | 170.2 | 0 | 0 | 0 | 109.5 | Y1115 V1116 R1117 E1121 K1122 S1123 | Y1115-I1119 HydrophobicContact CD1-CD1 3.78Å; Y1115-I1119 HydrophobicContact CD2-CD1 4.42Å; Y1115-I1119 HydrophobicContact CE1-CD1 3.46Å; Y1115-I1119 VanDerWaalsContact CE1-CD1 3.46Å; Y1115-I1119 HydrophobicContact CE2-CD1 4.14Å; Y1115-I1119 HydrophobicContact CE2-CG1 4.4Å; Y1115-I1119 HydrophobicContact CG-CD1 4.26Å; Y1115-I1119 VanDerWaalsContact O-CB 3.32Å; Y1115-I1119 WeakPolarHBondContact O-CB 3.26Å; Y1115-I1119 VanDerWaalsContact O-CG1 3.27Å; Y1115-I1119 WeakPolarHBondContact O-CG1 3.41Å; Y1115-I1119 PolarHBondContact O-N 3.17Å; V1116-I1119 PolarHBondContact O-N 2.85Å; R1117-I1119 VanDerWaalsContact C-N 3.34Å; R1117-I1119 PolarHBondContact O-N 2.91Å; I1119-E1121 VanDerWaalsContact C-N 3.34Å; I1119-E1121 PolarHBondContact O-N 3.05Å; I1119-K1122 PolarHBondContact O-N 3.34Å; I1119-S1123 WeakPolarHBondContact O-CB 3.47Å; I1119-S1123 PolarHBondContact O-N 2.91Å; I1119-S1123 PolarHBondContact O-OG 3.29Å |
| 1120 | R | 45.4 | Very low | 43.9 | Very low | 203 Ų | 203 | 106.5 Ų | 106.5 | 77% | 0.766 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.1 | -35.7 | 178 | -156.4 | 175.2 | -169.2 | -155.7 | 0.5 | 112.4 | V1116 R1117 S1123 S1124 | V1116-R1120 WeakPolarHBondContact O-CB 3.46Å; V1116-R1120 PolarHBondContact O-N 3.49Å; R1117-R1120 CarbonylContact O-C 3.53Å; R1117-R1120 WeakPolarHBondContact O-CA 3.46Å; R1117-R1120 WeakPolarHBondContact O-CB 3.35Å; R1117-R1120 PolarHBondContact O-N 3.48Å; R1120-S1123 WeakPolarHBondContact CA-OG 3.26Å; R1120-S1123 PolarHBondContact O-OG 3.32Å; R1120-S1124 WeakPolarHBondContact O-CB 3.37Å; R1120-S1124 PolarHBondContact O-N 3.12Å |
| 1121 | E | 43.8 | Very low | 43.6 | Very low | 105 Ų | 105 | 107.7 Ų | 107.7 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.7 | -38.4 | 173.2 | -68.7 | 158.4 | -177.3 | 0 | 0 | 111.5 | R1117 I1119 S1124 N1125 | R1117-E1121 WeakPolarHBondContact CG-OE1 3.36Å; R1117-E1121 WeakPolarHBondContact O-CG 3.48Å; R1117-E1121 PolarHBondContact O-N 2.92Å; I1119-E1121 VanDerWaalsContact C-N 3.34Å; I1119-E1121 PolarHBondContact O-N 3.05Å; E1121-S1124 VanDerWaalsContact O-CB 3.29Å; E1121-S1124 WeakPolarHBondContact O-CB 3.48Å; E1121-S1124 PolarHBondContact O-N 3.43Å; E1121-N1125 PolarHBondContact O-N 2.89Å; E1121-N1125 PolarHBondContact O-OD1 3.2Å; E1121-N1125 VanDerWaalsContact O-OD1 3.08Å |
| 1122 | K | 44.4 | Very low | 43.3 | Very low | 136 Ų | 136 | 109.1 Ų | 109.1 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71 | -31.5 | 172.9 | -76.3 | 168.5 | -177.4 | 168.6 | 0 | 113.3 | S1118 I1119 N1125 Q1126 | S1118-K1122 WeakPolarHBondContact O-CB 3.5Å; S1118-K1122 WeakPolarHBondContact O-CD 3.48Å; S1118-K1122 WeakPolarHBondContact O-CG 3.37Å; S1118-K1122 PolarHBondContact O-N 3.3Å; I1119-K1122 PolarHBondContact O-N 3.34Å; K1122-N1125 PolarHBondContact O-N 2.72Å; K1122-Q1126 WeakPolarHBondContact O-CB 3.48Å; K1122-Q1126 WeakPolarHBondContact O-CG 3.47Å; K1122-Q1126 PolarHBondContact O-N 2.86Å |
| 1123 | S | 38.6 | Very low | 43.2 | Very low | 52 Ų | 52 | 114.5 Ų | 114.5 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -75 | -29.5 | 170.2 | 63.3 | 0 | 0 | 0 | 0 | 111.6 | I1119 R1120 Q1126 M1127 | I1119-S1123 WeakPolarHBondContact O-CB 3.47Å; I1119-S1123 PolarHBondContact O-N 2.91Å; I1119-S1123 PolarHBondContact O-OG 3.29Å; R1120-S1123 WeakPolarHBondContact CA-OG 3.26Å; R1120-S1123 PolarHBondContact O-OG 3.32Å; S1123-Q1126 PolarHBondContact O-N 3.16Å; S1123-M1127 VanDerWaalsContact O-CB 3.31Å; S1123-M1127 WeakPolarHBondContact O-CB 3.32Å; S1123-M1127 WeakPolarHBondContact O-CG 3.34Å; S1123-M1127 PolarHBondContact O-N 3.11Å |
| 1124 | S | 37.1 | Very low | 43.3 | Very low | 57 Ų | 57 | 114.9 Ų | 114.9 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -51.5 | 166.3 | -158.3 | 0 | 0 | 0 | 0 | 110 | R1120 E1121 Q1126 M1127 E1128 | R1120-S1124 WeakPolarHBondContact O-CB 3.37Å; R1120-S1124 PolarHBondContact O-N 3.12Å; E1121-S1124 VanDerWaalsContact O-CB 3.29Å; E1121-S1124 WeakPolarHBondContact O-CB 3.48Å; E1121-S1124 PolarHBondContact O-N 3.43Å; S1124-Q1126 PolarHBondContact O-N 3.44Å; S1124-M1127 PolarHBondContact O-N 2.82Å; S1124-E1128 WeakPolarHBondContact O-CG 3.39Å; S1124-E1128 PolarHBondContact O-N 2.91Å |
| 1125 | N | 39.2 | Very low | 43.7 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.2 | -2.6 | -178 | -63.4 | 23.3 | 0 | 0 | 0 | 114.1 | E1121 K1122 | E1121-N1125 PolarHBondContact O-N 2.89Å; E1121-N1125 PolarHBondContact O-OD1 3.2Å; E1121-N1125 VanDerWaalsContact O-OD1 3.08Å; K1122-N1125 PolarHBondContact O-N 2.72Å |
| 1126 | Q | 36.4 | Very low | 44.3 | Very low | 138 Ų | 138 | 111.6 Ų | 111.6 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -103.1 | -32.3 | 166.6 | -74 | -172.1 | -55.2 | 0 | 0 | 111.9 | K1122 S1123 S1124 E1128 Q1129 E1130 | K1122-Q1126 WeakPolarHBondContact O-CB 3.48Å; K1122-Q1126 WeakPolarHBondContact O-CG 3.47Å; K1122-Q1126 PolarHBondContact O-N 2.86Å; S1123-Q1126 PolarHBondContact O-N 3.16Å; S1124-Q1126 PolarHBondContact O-N 3.44Å; Q1126-E1128 VanDerWaalsContact C-N 3.32Å; Q1126-Q1129 PolarHBondContact O-N 3.28Å; Q1126-E1130 PolarHBondContact O-N 2.95Å; Q1126-E1130 VanDerWaalsContact O-N 3.14Å |
| 1127 | M | 34 | Very low | 45.3 | Very low | 101 Ų | 101 | 107.7 Ų | 107.7 | 50% | 0.498 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 165 | -78.6 | -178.9 | 59.5 | 0 | 0 | 110.8 | S1123 S1124 Q1129 E1130 E1131 | S1123-M1127 VanDerWaalsContact O-CB 3.31Å; S1123-M1127 WeakPolarHBondContact O-CB 3.32Å; S1123-M1127 WeakPolarHBondContact O-CG 3.34Å; S1123-M1127 PolarHBondContact O-N 3.11Å; S1124-M1127 PolarHBondContact O-N 2.82Å; M1127-Q1129 PolarHBondContact O-N 2.69Å; M1127-E1130 PolarHBondContact O-N 3.17Å; M1127-E1131 HydrophobicContact CB-CG 4.44Å; M1127-E1131 VanDerWaalsContact CE-OE1 3.28Å; M1127-E1131 WeakPolarHBondContact CE-OE1 3.47Å; M1127-E1131 VanDerWaalsContact O-CB 3.26Å; M1127-E1131 WeakPolarHBondContact O-CB 3.38Å; M1127-E1131 WeakPolarHBondContact O-CG 3.31Å; M1127-E1131 PolarHBondContact O-N 3.36Å |
| 1128 | E | 36.4 | Very low | 46.7 | Very low | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.2 | -8.2 | 172.8 | -74.6 | -177 | 174.6 | 0 | 0 | 114.4 | S1124 Q1126 V1132 | S1124-E1128 WeakPolarHBondContact O-CG 3.39Å; S1124-E1128 PolarHBondContact O-N 2.91Å; Q1126-E1128 VanDerWaalsContact C-N 3.32Å; E1128-V1132 WeakPolarHBondContact O-CG2 3.33Å |
| 1129 | Q | 36.1 | Very low | 48 | Very low | 159 Ų | 159 | 106.8 Ų | 106.8 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -109.9 | -13.8 | 171.5 | -64.9 | -165 | -21.7 | 0 | 0 | 114.5 | Q1126 M1127 | Q1126-Q1129 PolarHBondContact O-N 3.28Å; M1127-Q1129 PolarHBondContact O-N 2.69Å |
| 1130 | E | 33.7 | Very low | 49.2 | Very low | 161 Ų | 161 | 103.7 Ų | 103.7 | 75% | 0.752 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -100.6 | -24.7 | 170 | -68.9 | -161.3 | 114.6 | 0 | 0 | 113.5 | Q1126 M1127 V1132 K1133 | Q1126-E1130 PolarHBondContact O-N 2.95Å; Q1126-E1130 VanDerWaalsContact O-N 3.14Å; M1127-E1130 PolarHBondContact O-N 3.17Å; E1130-V1132 PolarHBondContact O-N 2.72Å; E1130-V1132 VanDerWaalsContact O-N 3.17Å; E1130-K1133 PolarHBondContact O-N 3.01Å |
| 1131 | E | 34.6 | Very low | 51.2 | Low | 116 Ų | 116 | 95.2 Ų | 95.2 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -7.3 | 168.7 | -70.8 | -175.6 | 156.7 | 0 | 0 | 112.7 | M1127 K1133 Q1134 | M1127-E1131 HydrophobicContact CB-CG 4.44Å; M1127-E1131 VanDerWaalsContact CE-OE1 3.28Å; M1127-E1131 WeakPolarHBondContact CE-OE1 3.47Å; M1127-E1131 VanDerWaalsContact O-CB 3.26Å; M1127-E1131 WeakPolarHBondContact O-CB 3.38Å; M1127-E1131 WeakPolarHBondContact O-CG 3.31Å; M1127-E1131 PolarHBondContact O-N 3.36Å; E1131-K1133 CarbonylContact O-C 3.56Å; E1131-K1133 VanDerWaalsContact O-C 3.28Å; E1131-K1133 PolarHBondContact O-N 2.86Å; E1131-Q1134 PolarHBondContact O-N 3.39Å |
| 1132 | V | 37.4 | Very low | 53 | Low | 111 Ų | 111 | 94.2 Ų | 94.2 | 67% | 0.673 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -2.4 | 166.4 | -166.5 | 0 | 0 | 0 | 0 | 111.8 | E1128 E1130 Q1134 | E1128-V1132 WeakPolarHBondContact O-CG2 3.33Å; E1130-V1132 PolarHBondContact O-N 2.72Å; E1130-V1132 VanDerWaalsContact O-N 3.17Å; V1132-Q1134 PolarHBondContact O-N 3.49Å |
| 1133 | K | 42.7 | Very low | 54.2 | Low | 191 Ų | 191 | 90.6 Ų | 90.6 | 83% | 0.83 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -73 | 64.6 | 144.4 | -72.3 | -176.6 | 179.3 | 172.7 | 0 | 110.4 | E1130 E1131 N1135 | E1130-K1133 PolarHBondContact O-N 3.01Å; E1131-K1133 CarbonylContact O-C 3.56Å; E1131-K1133 VanDerWaalsContact O-C 3.28Å; E1131-K1133 PolarHBondContact O-N 2.86Å; K1133-N1135 PolarHBondContact O-N 3.48Å |
| 1134 | Q | 47.1 | Very low | 55.6 | Low | 116 Ų | 116 | 88.9 Ų | 88.9 | 54% | 0.542 | 45% | 0.448 | S | S | . | . | trans | -58.9 | 107.5 | 164.2 | -79.2 | -173.9 | -29.9 | 0 | 0 | 107.6 | E1131 V1132 E1136 | E1131-Q1134 PolarHBondContact O-N 3.39Å; V1132-Q1134 PolarHBondContact O-N 3.49Å; Q1134-E1136 PolarHBondContact O-N 3.24Å | ||
| 1135 | N | 58.5 | Low | 56.9 | Low | 64 Ų | 64 | 92.5 Ų | 92.5 | 34% | 0.342 | 46% | 0.462 | S | S | . | . | trans | -54.4 | 124 | -177.1 | -155 | -20.3 | 0 | 0 | 0 | 108.5 | D654 K1133 A1137 T1138 | D654-N1135 PolarHBondContact OD1-ND2 2.76Å; K1133-N1135 PolarHBondContact O-N 3.48Å; N1135-A1137 PolarHBondContact O-N 3.13Å; N1135-T1138 PolarHBondContact O-N 3.29Å; N1135-T1138 PolarHBondContact O-OG1 3.17Å | ||
| 1136 | E | 67.9 | Low | 57.9 | Low | 91 Ų | 91 | 91.8 Ų | 91.8 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -55.6 | -26.6 | -163.2 | -74.9 | -179.9 | 173.3 | 0 | 0 | 113.4 | L589 Q1134 T1138 N1139 L1140 | L589-E1136 HydrophobicContact CB-CB 4.39Å; L589-E1136 HydrophobicContact CD1-CB 3.67Å; Q1134-E1136 PolarHBondContact O-N 3.24Å; E1136-T1138 VanDerWaalsContact C-N 3.29Å; E1136-T1138 PolarHBondContact O-N 3.49Å; E1136-N1139 WeakPolarHBondContact O-CB 3.43Å; E1136-N1139 PolarHBondContact O-N 2.89Å; E1136-L1140 PolarHBondContact O-N 3.29Å |
| 1137 | A | 76 | Confident | 58.4 | Low | 4 Ų | 4 | 87.2 Ų | 87.2 | 3% | 0.033 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -55.5 | -30.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L589 N658 A661 N1135 L1140 | L589-A1137 HydrophobicContact CD2-CB 4.33Å; N658-A1137 WeakPolarHBondContact OD1-CB 3.41Å; A661-A1137 HydrophobicContact CB-CB 3.76Å; A661-A1137 WeakPolarHBondContact CB-O 3.42Å; N1135-A1137 PolarHBondContact O-N 3.13Å; A1137-L1140 WeakPolarHBondContact O-CB 3.44Å; A1137-L1140 PolarHBondContact O-N 3.46Å |
| 1138 | T | 79.3 | Confident | 59.3 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 42% | 0.417 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.8 | -32.2 | 176.7 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | N1135 E1136 L1140 L1141 Q1142 | N1135-T1138 PolarHBondContact O-N 3.29Å; N1135-T1138 PolarHBondContact O-OG1 3.17Å; E1136-T1138 VanDerWaalsContact C-N 3.29Å; E1136-T1138 PolarHBondContact O-N 3.49Å; T1138-L1140 VanDerWaalsContact C-N 3.27Å; T1138-L1140 PolarHBondContact O-N 2.82Å; T1138-L1141 PolarHBondContact O-N 3.19Å; T1138-Q1142 PolarHBondContact O-N 3.06Å |
| 1139 | N | 81.2 | Confident | 59.4 | Low | 70 Ų | 70 | 85.6 Ų | 85.6 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -32.3 | 172.8 | -65.6 | -31 | 0 | 0 | 0 | 111.2 | E1136 L1141 Q1142 | E1136-N1139 WeakPolarHBondContact O-CB 3.43Å; E1136-N1139 PolarHBondContact O-N 2.89Å; N1139-L1141 PolarHBondContact O-N 3.42Å; N1139-L1141 VanDerWaalsContact O-N 3.16Å; N1139-Q1142 PolarHBondContact O-N 2.93Å; N1139-Q1142 PolarHBondContact OD1-NE2 2.65Å; N1139-Q1142 VanDerWaalsContact OD1-NE2 3.15Å |
| 1140 | L | 84.2 | Confident | 59.2 | Low | 12 Ų | 12 | 89.6 Ų | 89.6 | 6% | 0.063 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.7 | 169.6 | -60.6 | -172.7 | 0 | 0 | 0 | 114 | L589 A592 G593 K596 L662 V665 E1136 A1137 T1138 | L589-L1140 HydrophobicContact CB-CD1 4.44Å; L589-L1140 HydrophobicContact CD2-CD1 3.54Å; A592-L1140 HydrophobicContact CB-CD1 3.96Å; G593-L1140 VanDerWaalsContact CA-CD2 3.42Å; K596-L1140 WeakPolarHBondContact CD-O 3.43Å; K596-L1140 WeakPolarHBondContact CE-O 3.31Å; K596-L1140 VanDerWaalsContact NZ-C 3.34Å; K596-L1140 PolarHBondContact NZ-O 2.98Å; L662-L1140 HydrophobicContact CD2-CD1 3.95Å; V665-L1140 HydrophobicContact CG2-CB 4.37Å; V665-L1140 WeakPolarHBondContact CG2-O 3.29Å; E1136-L1140 PolarHBondContact O-N 3.29Å; A1137-L1140 WeakPolarHBondContact O-CB 3.44Å; A1137-L1140 PolarHBondContact O-N 3.46Å; T1138-L1140 VanDerWaalsContact C-N 3.27Å; T1138-L1140 PolarHBondContact O-N 2.82Å |
| 1141 | L | 85.9 | Confident | 59.1 | Low | 26 Ų | 26 | 90 Ų | 90 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -16.7 | 178.7 | -61.4 | -177.2 | 0 | 0 | 0 | 114.7 | A661 T664 V665 P744 T1138 N1139 | A661-L1141 HydrophobicContact CB-CD1 4.49Å; A661-L1141 HydrophobicContact CB-CD2 4.26Å; A661-L1141 HydrophobicContact CB-CG 4.27Å; T664-L1141 HydrophobicContact CG2-CD2 3.76Å; V665-L1141 HydrophobicContact CG2-CD2 4.23Å; P744-L1141 HydrophobicContact CB-CD1 3.74Å; P744-L1141 HydrophobicContact CG-CD1 4.1Å; T1138-L1141 PolarHBondContact O-N 3.19Å; N1139-L1141 PolarHBondContact O-N 3.42Å; N1139-L1141 VanDerWaalsContact O-N 3.16Å |
| 1142 | Q | 82.3 | Confident | 58.8 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -60.9 | 141 | 179.9 | -63.2 | -169.7 | 20.5 | 0 | 0 | 112.6 | K596 T1138 N1139 | K596-Q1142 PolarHBondContact NZ-O 2.9Å; T1138-Q1142 PolarHBondContact O-N 3.06Å; N1139-Q1142 PolarHBondContact O-N 2.93Å; N1139-Q1142 PolarHBondContact OD1-NE2 2.65Å; N1139-Q1142 VanDerWaalsContact OD1-NE2 3.15Å |
| 1143 | P | 70.5 | Confident | 58.5 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 39% | 0.39 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 148.4 | 176.7 | 28.4 | -34.8 | 0 | 0 | 0 | 111.5 | ||
| 1144 | P | 67.1 | Low | 57.6 | Low | 15 Ų | 15 | 87.6 Ų | 87.6 | 10% | 0.097 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -52 | 141.1 | -179.1 | -26.8 | 32.5 | 0 | 0 | 0 | 114.2 | H739 F1146 L1147 | H739-P1144 WeakPolarHBondContact NE2-CD 3.32Å; H739-P1144 WeakPolarHBondContact NE2-CG 3.36Å; P1144-F1146 HydrophobicContact CB-CD1 3.88Å; P1144-F1146 HydrophobicContact CB-CE1 3.55Å; P1144-F1146 HydrophobicContact CB-CZ 4.07Å; P1144-F1146 HydrophobicContact CG-CE1 4.43Å; P1144-F1146 PolarHBondContact O-N 2.65Å; P1144-L1147 HydrophobicContact CB-CD1 4.04Å; P1144-L1147 HydrophobicContact CG-CD1 4.05Å; P1144-L1147 WeakPolarHBondContact O-CB 3.35Å; P1144-L1147 PolarHBondContact O-N 3.26Å |
| 1145 | N | 64 | Low | 57 | Low | 133 Ų | 133 | 89.4 Ų | 89.4 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -57.5 | -28.7 | -170.2 | -68.3 | -12.1 | 0 | 0 | 0 | 114.7 | L1147 | N1145-L1147 PolarHBondContact O-N 3.4Š|
| 1146 | F | 60.2 | Low | 55.6 | Low | 84 Ų | 84 | 95.7 Ų | 95.7 | 37% | 0.368 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -70.7 | -8.4 | 177.8 | 61.4 | -93.3 | 0 | 0 | 0 | 114.1 | S600 H604 P1144 | S600-F1146 WeakPolarHBondContact O-CE1 3.32Å; S600-F1146 WeakPolarHBondContact O-CZ 3.38Å; H604-F1146 HydrophobicContact CB-CE1 4.38Å; H604-F1146 HydrophobicContact CB-CZ 4.18Å; H604-F1146 AromaticContact CE1-CD2 3.48Å; H604-F1146 VanDerWaalsContact CE1-CD2 3.48Å; H604-F1146 WeakPolarHBondContact CE1-CD2 3.48Å; H604-F1146 AromaticContact CE1-CG 3.54Å; H604-F1146 AromaticContact ND1-CD1 3.59Å; H604-F1146 AromaticContact ND1-CD2 3.04Å; H604-F1146 WeakPolarHBondContact ND1-CD2 3.4Å; H604-F1146 AromaticContact ND1-CE1 3.74Å; H604-F1146 AromaticContact ND1-CE2 3.23Å; H604-F1146 WeakPolarHBondContact ND1-CE2 3.41Å; H604-F1146 AromaticContact ND1-CG 3.26Å; H604-F1146 VanDerWaalsContact ND1-CG 3.26Å; H604-F1146 WeakPolarHBondContact ND1-CG 3.36Å; H604-F1146 AromaticContact ND1-CZ 3.58Å; P1144-F1146 HydrophobicContact CB-CD1 3.88Å; P1144-F1146 HydrophobicContact CB-CE1 3.55Å; P1144-F1146 HydrophobicContact CB-CZ 4.07Å; P1144-F1146 HydrophobicContact CG-CE1 4.43Å; P1144-F1146 PolarHBondContact O-N 2.65Å |
| 1147 | L | 47.7 | Very low | 54 | Low | 42 Ų | 42 | 100.4 Ų | 100.4 | 22% | 0.22 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -111.2 | -6.8 | -174.5 | -56.4 | 171.7 | 0 | 0 | 0 | 113.3 | H735 P1144 N1145 A1149 | H735-L1147 WeakPolarHBondContact NE2-CD1 3.44Å; H735-L1147 WeakPolarHBondContact NE2-CD2 3.48Å; P1144-L1147 HydrophobicContact CB-CD1 4.04Å; P1144-L1147 HydrophobicContact CG-CD1 4.05Å; P1144-L1147 WeakPolarHBondContact O-CB 3.35Å; P1144-L1147 PolarHBondContact O-N 3.26Å; N1145-L1147 PolarHBondContact O-N 3.4Å; L1147-A1149 VanDerWaalsContact C-N 3.27Å; L1147-A1149 PolarHBondContact O-N 2.85Å |
| 1148 | Q | 53.6 | Low | 51.6 | Low | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | trans | -70.5 | 87.7 | 172.3 | -63.6 | -173.5 | 13.8 | 0 | 0 | 108.9 | R1150 | Q1148-R1150 PolarHBondContact O-N 2.91Š| ||
| 1149 | A | 37.4 | Very low | 49.4 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 71% | 0.711 | 58% | 0.575 | S | S | * | * | trans | -53 | 125.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1147 Q1151 | L1147-A1149 VanDerWaalsContact C-N 3.27Å; L1147-A1149 PolarHBondContact O-N 2.85Å; A1149-Q1151 VanDerWaalsContact C-N 3.34Å; A1149-Q1151 PolarHBondContact O-N 2.97Å | ||
| 1150 | R | 31.2 | Very low | 46.9 | Very low | 243 Ų | 243 | 110 Ų | 110 | 92% | 0.917 | 59% | 0.593 | S | S | * | * | trans | -59.5 | 95.8 | 175.7 | -82.7 | -173.8 | 170.5 | -169.6 | -2.7 | 109.5 | Q1148 S1152 | Q1148-R1150 PolarHBondContact O-N 2.91Å; R1150-S1152 PolarHBondContact O-N 2.8Å | ||
| 1151 | Q | 31.3 | Very low | 44.3 | Very low | 168 Ų | 168 | 114.6 Ų | 114.6 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -60.4 | 119.6 | 172.9 | -71.9 | -171.3 | -7.4 | 0 | 0 | 108.7 | A1149 T1153 | A1149-Q1151 VanDerWaalsContact C-N 3.34Å; A1149-Q1151 PolarHBondContact O-N 2.97Å; Q1151-T1153 VanDerWaalsContact C-N 3.26Å; Q1151-T1153 PolarHBondContact O-N 3.21Å | ||
| 1152 | S | 28.5 | Very low | 41.6 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | -77.3 | 75.1 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | R1150 T1154 | R1150-S1152 PolarHBondContact O-N 2.8Å; S1152-T1154 VanDerWaalsContact C-N 3.26Å; S1152-T1154 PolarHBondContact O-N 3.19Å; S1152-T1154 PolarHBondContact O-OG1 3.14Å; S1152-T1154 VanDerWaalsContact O-OG1 3.13Å | ||
| 1153 | T | 31.2 | Very low | 39 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -62.1 | 78.9 | -176.1 | 40.1 | 0 | 0 | 0 | 0 | 112.9 | Q1151 | Q1151-T1153 VanDerWaalsContact C-N 3.26Å; Q1151-T1153 PolarHBondContact O-N 3.21Å | ||
| 1154 | T | 25.4 | Very low | 37 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -109.1 | 59.2 | -179.5 | -44.1 | 0 | 0 | 0 | 0 | 110 | S1152 | S1152-T1154 VanDerWaalsContact C-N 3.26Å; S1152-T1154 PolarHBondContact O-N 3.19Å; S1152-T1154 PolarHBondContact O-OG1 3.14Å; S1152-T1154 VanDerWaalsContact O-OG1 3.13Å | ||
| 1155 | I | 34.2 | Very low | 35.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -125 | 118.6 | 165.3 | -63.8 | -177.3 | 0 | 0 | 0 | 107.5 | Q1157 | I1155-Q1157 PolarHBondContact O-N 3.06Š| ||
| 1156 | R | 27.6 | Very low | 33.5 | Very low | 197 Ų | 197 | 132.1 Ų | 132.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -71.3 | 118.4 | 169.8 | -66.8 | -174.2 | -170.7 | 129.8 | -0.9 | 108.8 | E1214 | R1156-E1214 IonicContact CZ-OE1 3.18Å; R1156-E1214 IonicContact NH1-OE1 2.67Å; R1156-E1214 PolarHBondContact NH1-OE1 2.71Å; R1156-E1214 IonicContact NH2-OE1 2.82Å; R1156-E1214 PolarHBondContact NH2-OE1 3.41Å; R1156-E1214 IonicContact NH2-OE2 3.87Å | ||
| 1157 | Q | 35.2 | Very low | 32.2 | Very low | 189 Ų | 189 | 134.1 Ų | 134.1 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -136.4 | 147.4 | 143.2 | -73.4 | -160.3 | -8.9 | 0 | 0 | 109.2 | I1155 | I1155-Q1157 PolarHBondContact O-N 3.06Š| ||
| 1158 | S | 25.6 | Very low | 31.6 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -130.4 | 97.4 | -160.2 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1159 | S | 32.4 | Very low | 30.6 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -153.2 | 115.1 | 164.9 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | S1161 | S1159-S1161 PolarHBondContact O-N 3.1Š| ||
| 1160 | S | 30.3 | Very low | 30.1 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -8.7 | 107.8 | 161.8 | 52.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1161 | S | 28.3 | Very low | 30.2 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 49.3 | 154.8 | 117.7 | 67.7 | 0 | 0 | 0 | 0 | 122.5 | S1159 | S1159-S1161 PolarHBondContact O-N 3.1Š| |||
| 1162 | P | 30.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -127 | 169.4 | 0.4 | 33.7 | -14.5 | 0 | 0 | 0 | 115.3 | ||||
| 1163 | Q | 26 | Very low | 30.2 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 147.8 | 172.9 | -61.1 | 173.9 | -56.4 | 0 | 0 | 112.2 | ||
| 1164 | P | 29.9 | Very low | 30 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 132.2 | 154.6 | 32.4 | -30.3 | 0 | 0 | 0 | 110.3 | ||
| 1165 | I | 29.3 | Very low | 30.5 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 133.9 | 177.6 | -64.4 | 169.9 | 0 | 0 | 0 | 108.8 | ||
| 1166 | P | 28.9 | Very low | 30.4 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 128.7 | 173.5 | 28.8 | -33.7 | 0 | 0 | 0 | 110.5 | ||
| 1167 | P | 32.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 127.6 | -170.2 | 31 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 1168 | I | 34.6 | Very low | 30.4 | Very low | 160 Ų | 160 | 127 Ų | 127 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -106 | 121.4 | 157.3 | -65.1 | 179.2 | 0 | 0 | 0 | 108.4 | ||||
| 1169 | L | 32 | Very low | 30.6 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 17.8 | 122.7 | 161.6 | -65.5 | 172.2 | 0 | 0 | 0 | 120.9 | ||
| 1170 | K | 28.4 | Very low | 30.4 | Very low | 208 Ų | 208 | 136.3 Ų | 136.3 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | 65.6 | 125.7 | 147.6 | -63.9 | -179.4 | 175.7 | -179.6 | 0 | 119.3 | ||||
| 1171 | G | 32.3 | Very low | 30.4 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | 145.3 | 87 | 144.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1172 | S | 28.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 28.6 | 137.4 | 146.6 | -160.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1173 | G | 31.7 | Very low | 30.5 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 103.7 | 108.6 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1174 | A | 26.4 | Very low | 30.8 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -117.3 | 124.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1175 | V | 36 | Very low | 30.6 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -145.7 | 147 | 160.7 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1176 | D | 31.6 | Very low | 30.7 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -72.7 | 167.3 | -164 | -61.2 | -86.1 | 0 | 0 | 0 | 119.6 | ||||
| 1177 | A | 31.2 | Very low | 30.6 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 81% | 0.812 | S | S | * | * | 99.9 | 108.5 | 128 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1178 | V | 32.3 | Very low | 30.6 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | 87.8 | 114.1 | 117.4 | 172.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1179 | K | 29.4 | Very low | 30.4 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | 76.3 | 107.5 | 146.4 | -78.5 | 168.5 | -167.8 | 164.6 | 0 | 122.1 | ||||
| 1180 | R | 29.1 | Very low | 30.2 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | 109.3 | 128.5 | 105 | -167.3 | -178.4 | -162 | 176.6 | 6.1 | 119.2 | |||||
| 1181 | A | 29.3 | Very low | 30.5 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 82.4 | 148.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1182 | P | 28.9 | Very low | 30.4 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -106.1 | 162.9 | -161.9 | 40.7 | -34.9 | 0 | 0 | 0 | 115.2 | ||||
| 1183 | P | 31.6 | Very low | 30.7 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 154.1 | 175.2 | 34.4 | -35.1 | 0 | 0 | 0 | 113.5 | ||
| 1184 | V | 31.9 | Very low | 30.6 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 150 | 166.9 | 173 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1185 | A | 26.5 | Very low | 30.9 | Very low | 74 Ų | 74 | 139.6 Ų | 139.6 | 61% | 0.612 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 153.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1186 | T | 32.3 | Very low | 30.4 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -144.5 | 131.6 | 135.5 | -65.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1187 | F | 25.1 | Very low | 30.5 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -104.8 | 135 | 178 | -94.9 | -92.2 | 0 | 0 | 0 | 110.4 | ||||
| 1188 | T | 33.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -142 | 132.4 | 148.4 | 33.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1189 | A | 29.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 152.2 Ų | 152.2 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | trans | -91.7 | 176.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1190 | L | 29.6 | Very low | 30.2 | Very low | 169 Ų | 169 | 148 Ų | 148 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | cis | -160.7 | 145.3 | 39.5 | -82.4 | 159.8 | 0 | 0 | 0 | 111.1 | ||||
| 1191 | A | 33.5 | Very low | 30.2 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -169.5 | 130.7 | 138.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1192 | G | 30.2 | Very low | 30.2 | Very low | 61 Ų | 61 | 144.7 Ų | 144.7 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | -179.6 | 127.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1193 | P | 35 | Very low | 30.6 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 130 | -172.8 | 28.9 | -34.1 | 0 | 0 | 0 | 111.6 | ||||
| 1194 | K | 30.1 | Very low | 30.3 | Very low | 196 Ų | 196 | 146.7 Ų | 146.7 | 85% | 0.852 | 81% | 0.81 | S | S | * | * | trans | -88.1 | 107.6 | 176.3 | -66.2 | 178.8 | 179.7 | 177.7 | 0 | 110.1 | F1196 | K1194-F1196 PolarHBondContact O-N 2.73Š| ||
| 1195 | R | 31.9 | Very low | 30.4 | Very low | 207 Ų | 207 | 151 Ų | 151 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -64.4 | 126.5 | 156.8 | -97.7 | -175.3 | 164.9 | -164.6 | -12.9 | 107.8 | D608 | D608-R1195 IonicContact OD1-NH2 2.72Å; D608-R1195 PolarHBondContact OD1-NH2 3.09Å; D608-R1195 IonicContact OD2-NH2 3.37Å | ||
| 1196 | F | 27 | Very low | 30.7 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -68.1 | 134.1 | 166.2 | -84 | -99.8 | 0 | 0 | 0 | 108.9 | K1194 | K1194-F1196 PolarHBondContact O-N 2.73Š| ||
| 1197 | R | 32.2 | Very low | 30.4 | Very low | 230 Ų | 230 | 153.7 Ų | 153.7 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | -115.5 | 129.5 | 160.7 | -86.6 | -175.4 | 167.4 | 178.3 | -5.5 | 107.5 | ||||
| 1198 | F | 26.6 | Very low | 30.8 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 90% | 0.899 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.3 | 158.7 | -83.1 | -90.6 | 0 | 0 | 0 | 108.9 | ||
| 1199 | V | 29.3 | Very low | 30.9 | Very low | 126 Ų | 126 | 152.6 Ų | 152.6 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 122.6 | -178 | 176.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1200 | P | 31 | Very low | 30.9 | Very low | 104 Ų | 104 | 155.4 Ų | 155.4 | 68% | 0.675 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149.9 | 173.5 | 29.4 | -34.2 | 0 | 0 | 0 | 110.6 | ||
| 1201 | P | 29.4 | Very low | 31.1 | Very low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 144.1 | -174 | 28.2 | -35.1 | 0 | 0 | 0 | 112.7 | P1203 | P1201-P1203 WeakPolarHBondContact O-CD 3.39Š|
| 1202 | I | 30.1 | Very low | 30.8 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 123.6 | -175.9 | -60.5 | 165.8 | 0 | 0 | 0 | 110.8 | L1204 | I1202-L1204 PolarHBondContact O-N 3.13Š|
| 1203 | P | 36.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 160 Ų | 160 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 124.8 | 168.1 | -16.8 | 32.2 | 0 | 0 | 0 | 111.2 | P1201 | P1201-P1203 WeakPolarHBondContact O-CD 3.39Š|
| 1204 | L | 26.1 | Very low | 30.4 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 115 | -179 | -70.7 | 169.8 | 0 | 0 | 0 | 112.3 | I1202 | I1202-L1204 PolarHBondContact O-N 3.13Š| ||
| 1205 | R | 33.1 | Very low | 30.3 | Very low | 237 Ų | 237 | 157.8 Ų | 157.8 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -143.5 | 98.3 | 154.1 | -80.5 | -157.3 | 170.3 | 166.5 | 0.2 | 113.8 | ||||
| 1206 | T | 33.4 | Very low | 30.1 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | 33.5 | 106.2 | 133.7 | 56.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1207 | D | 26.8 | Very low | 30.2 | Very low | 151 Ų | 151 | 147 Ų | 147 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 46.5 | 105 | 130.6 | -53.1 | -9.4 | 0 | 0 | 0 | 120.2 | ||||
| 1208 | K | 33.7 | Very low | 29.9 | Very low | 215 Ų | 215 | 145.5 Ų | 145.5 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | -158.3 | 160.2 | 103.1 | -105.7 | 160.9 | -172.4 | 173.4 | 0 | 112.8 | |||||
| 1209 | S | 33.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -100 | 153.8 | -160.7 | 55.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1210 | D | 29.8 | Very low | 30.2 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | trans | 54 | 94.5 | 143.6 | -60.6 | -1.2 | 0 | 0 | 0 | 119.1 | ||||
| 1211 | K | 33.4 | Very low | 30.2 | Very low | 209 Ų | 209 | 138 Ų | 138 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | -169.8 | 165 | 89.5 | -103.6 | 165.8 | -173.6 | 173.8 | 0 | 114.4 | |||||
| 1212 | S | 28.1 | Very low | 30.3 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -98.2 | 169.8 | -170 | 62 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1213 | T | 31.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | 112.1 | 131.7 | 143 | -48.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1214 | E | 24.9 | Very low | 30.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 57% | 0.57 | 80% | 0.8 | S | S | * | * | trans | -60.6 | 154.7 | 171.9 | -53.8 | 160.2 | 94.8 | 0 | 0 | 111.7 | R1156 | R1156-E1214 IonicContact CZ-OE1 3.18Å; R1156-E1214 IonicContact NH1-OE1 2.67Å; R1156-E1214 PolarHBondContact NH1-OE1 2.71Å; R1156-E1214 IonicContact NH2-OE1 2.82Å; R1156-E1214 PolarHBondContact NH2-OE1 3.41Å; R1156-E1214 IonicContact NH2-OE2 3.87Å | ||
| 1215 | M | 28.9 | Very low | 30.4 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | 171.7 | 150.2 | 108.4 | -88.2 | -62.7 | -81.6 | 0 | 0 | 109.8 | |||||
| 1216 | G | 27.4 | Very low | 30.2 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 148.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1218 | G1216-E1218 PolarHBondContact O-N 3.37Š|
| 1217 | S | 29.9 | Very low | 30 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 120.2 | 171.9 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1218 | E | 25.2 | Very low | 30.2 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 142.1 | 152.4 | -62.9 | -177.7 | 141.7 | 0 | 0 | 108.6 | G1216 | G1216-E1218 PolarHBondContact O-N 3.37Š|
| 1219 | G | 31.3 | Very low | 30.2 | Very low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -147 | 96.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1220 | A | 31.4 | Very low | 30.1 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | -165.8 | 74 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1221 | A | 30.7 | Very low | 30.2 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -160.6 | 105.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1222 | E | 31.3 | Very low | 30.2 | Very low | 200 Ų | 200 | 131 Ų | 131 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | 65.3 | 126.9 | 146 | -55.9 | -179.7 | 176.7 | 0 | 0 | 121.8 | ||||
| 1223 | G | 31.9 | Very low | 30.4 | Very low | 69 Ų | 69 | 134.2 Ų | 134.2 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 85 | 100.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1224 | E | 31 | Very low | 30.4 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | cis | 76.3 | 114.8 | 44.8 | -58.1 | -175.2 | 158.3 | 0 | 0 | 115.5 | ||||
| 1225 | E | 31.2 | Very low | 30.8 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 54.8 | 166.1 | 141.4 | -63 | 176.9 | -178 | 0 | 0 | 120.9 | ||||
| 1226 | E | 29.9 | Very low | 31.1 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | -166.2 | 147.6 | -44.7 | -169.3 | -179.4 | -170.7 | 0 | 0 | 106.5 | ||||
| 1227 | T | 27.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | 65.9 | 147.4 | 159.9 | 35.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1228 | D | 31.8 | Very low | 31.3 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 77.6 | 120.7 | 141.7 | -63.9 | -0.3 | 0 | 0 | 0 | 125.6 | ||||
| 1229 | E | 34.2 | Very low | 31.3 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | 50.9 | 136 | 133.2 | -58.2 | -154.2 | 157.6 | 0 | 0 | 121.4 | ||||
| 1230 | I | 30.7 | Very low | 32 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 66% | 0.662 | 77% | 0.768 | S | S | * | * | cis | 174.5 | 171.6 | -5.8 | -111 | 162.2 | 0 | 0 | 0 | 104.2 | ||||
| 1231 | I | 32.2 | Very low | 31.8 | Very low | 153 Ų | 153 | 148.9 Ų | 148.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 75 | 132.4 | 168.5 | -83.4 | 158.9 | 0 | 0 | 0 | 117.1 | ||||
| 1232 | V | 32.9 | Very low | 31.6 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | cis | -165.5 | 157.8 | -16.3 | 83.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1233 | E | 31.9 | Very low | 31.4 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 62.5 | 144.1 | 162.7 | -81.4 | 165.7 | -152.7 | 0 | 0 | 118.8 | ||||
| 1234 | I | 31.6 | Very low | 31.1 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | -140.4 | 167.8 | -3.5 | -4.1 | 161.6 | 0 | 0 | 0 | 106.6 | ||||
| 1235 | E | 33.3 | Very low | 30.9 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | cis | -152.3 | 177.8 | 6.9 | -170.4 | 156.8 | -153.3 | 0 | 0 | 110.1 | ||||
| 1236 | S | 35.2 | Very low | 30.8 | Very low | 91 Ų | 91 | 145.1 Ų | 145.1 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 36.8 | 96.6 | 163.5 | 57.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1237 | R | 29.6 | Very low | 30.6 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | 62 | 138.8 | 69.2 | -60.4 | 178.9 | 178.8 | -175.2 | 0.5 | 113.8 | |||||
| 1238 | S | 31.3 | Very low | 30.6 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | cis | -167.1 | 123.5 | -3.3 | 40 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1239 | E | 27 | Very low | 30.4 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | 75 | 142 | 87.4 | -91.3 | -166.8 | 156.4 | 0 | 0 | 116.8 | |||||
| 1240 | P | 44.9 | Very low | 30.1 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -104.2 | 170.1 | -169.8 | 41.3 | -36.8 | 0 | 0 | 0 | 115.2 | ||||
| 1241 | R | 27.7 | Very low | 30 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -138.6 | 137.5 | 154.6 | -68.4 | -171.4 | 169.6 | 123.2 | 3.9 | 108.3 | ||||
| 1242 | S | 26.9 | Very low | 30.1 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | cis | 90.4 | 146.1 | 33.2 | -168.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1243 | A | 26.2 | Very low | 30.2 | Very low | 98 Ų | 98 | 150.4 Ų | 150.4 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | 77 | 145.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1244 | C | 25 | Very low | 30.2 | Very low | 118 Ų | 118 | 149.9 Ų | 149.9 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -105 | 148.1 | -178.3 | -61 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1245 | S | 27.8 | Very low | 30.2 | Very low | 87 Ų | 87 | 150.4 Ų | 150.4 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | 58.6 | 135.6 | 135.3 | 69.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1246 | Y | 28.8 | Very low | 29.7 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | 68.4 | 113.2 | 160.5 | -48.4 | -63.7 | 0 | 0 | 0 | 118.1 | ||||
| 1247 | E | 26.7 | Very low | 30.1 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | -122.6 | 165.5 | 103.3 | -69.1 | -164.6 | 132.9 | 0 | 0 | 108.4 | |||||
| 1248 | S | 27.1 | Very low | 29.8 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | trans | -134.8 | 179.8 | 177.8 | -168.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1249 | D | 28.2 | Very low | 29.6 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 76.2 | 129.4 | 154.1 | -53.6 | -17.2 | 0 | 0 | 0 | 115.1 | ||||
| 1250 | E | 28.2 | Very low | 29.6 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | cis | -147.9 | -172.8 | -1.1 | -60.9 | -162.7 | 103.1 | 0 | 0 | 111.9 | ||||
| 1251 | E | 28 | Very low | 28.7 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 91.2 | 129.9 | 155.6 | -46.8 | -155.8 | 127.5 | 0 | 0 | 119.7 | ||||
| 1252 | D | 33.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 61 | 138.3 | 162.3 | -58.7 | -17.5 | 0 | 0 | 0 | 119.7 | ||||
| 1253 | E | 34 | Very low | 28.8 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | cis | -159 | 164.6 | -2.3 | -135.6 | -176.2 | 170.3 | 0 | 0 | 110.7 | ||||
| 1254 | F | 33 | Very low | 28.9 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | trans | 56 | 115 | 160.8 | -68.5 | -63.6 | 0 | 0 | 0 | 123.4 | ||||
| 1255 | L | 30.6 | Very low | 29.1 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | 86.7 | 155.1 | 128.4 | -71.1 | 167.4 | 0 | 0 | 0 | 122.7 | |||||
| 1256 | S | 23.6 | Very low | 29.2 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -109.6 | -157.5 | -170.9 | -44.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1257 | P | 43.3 | Very low | 29.2 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | -124.6 | -150.3 | -120.6 | 32.9 | -8.6 | 0 | 0 | 0 | 113.5 | |||||
| 1258 | L | 24.5 | Very low | 30.1 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | 85 | 167.4 | 163.8 | -59.2 | 170.4 | 0 | 0 | 0 | 119 | ||||
| 1259 | V | 26.4 | Very low | 30.4 | Very low | 136 Ų | 136 | 133.3 Ų | 133.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 98.3 | 101.9 | 158.7 | -170.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1260 | S | 26.4 | Very low | 31.1 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -70.7 | 171.9 | 161 | -53.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1261 | A | 26.4 | Very low | 31.4 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | trans | 83 | 101.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1262 | N | 27.2 | Very low | 31.7 | Very low | 149 Ų | 149 | 130.9 Ų | 130.9 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | 84.3 | 154.9 | 121.1 | -61.5 | -22 | 0 | 0 | 0 | 122.2 | |||||
| 1263 | V | 30.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 130 Ų | 130 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | 72 | 99.3 | 167.4 | -152.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1264 | S | 26.9 | Very low | 31.7 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | 65 | 136.5 | 65.6 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1265 | L | 28.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | cis | -174.3 | 177.2 | -15.6 | -172.8 | 70.7 | 0 | 0 | 0 | 105.4 | ||||
| 1266 | V | 30.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 72.8 | 132 | 162.2 | 179.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1267 | D | 29.8 | Very low | 32.6 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | cis | -168.5 | -164 | -8.5 | -122.8 | -22.5 | 0 | 0 | 0 | 107.4 | ||||
| 1268 | P | 44.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | cis | -131.9 | 149.1 | -5.9 | 16.3 | 10.1 | 0 | 0 | 0 | 118.4 | ||||
| 1269 | V | 32.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 128 Ų | 128 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | 35.9 | 126.3 | 116 | -170.5 | 0 | 0 | 0 | 0 | 118 | |||||
| 1270 | P | 44.7 | Very low | 33 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | -160 | 127.1 | 70.1 | 39.3 | -15.6 | 0 | 0 | 0 | 121.8 | |||||
| 1271 | S | 34.3 | Very low | 33.9 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | 70.3 | 158.2 | 130 | 88.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1272 | R | 33.5 | Very low | 34.3 | Very low | 214 Ų | 214 | 128.9 Ų | 128.9 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | cis | -163.4 | 163.1 | 0.4 | -143.3 | -175 | 154.3 | 143.6 | 1 | 113.9 | ||||
| 1273 | N | 34 | Very low | 34.3 | Very low | 127 Ų | 127 | 125 Ų | 125 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | trans | 74.3 | 165.2 | 155.3 | -74 | -2.5 | 0 | 0 | 0 | 118.6 | ||||
| 1274 | S | 33 | Very low | 34.5 | Very low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | 174 | 166.6 | -30.5 | 64.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1275 | P | 46.1 | Very low | 35 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 60% | 0.597 | 74% | 0.739 | S | S | * | * | cis | -143 | 172.9 | -48.4 | 40.5 | -22.2 | 0 | 0 | 0 | 116.9 | ||||
| 1276 | H | 30.3 | Very low | 35.2 | Very low | 151 Ų | 151 | 127 Ų | 127 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 73.9 | 150.1 | 161.6 | -47.9 | -53.3 | 0 | 0 | 0 | 119.1 | ||||
| 1277 | Y | 31.4 | Very low | 35 | Very low | 197 Ų | 197 | 132 Ų | 132 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | cis | -131.6 | 136.3 | 16.5 | -100.3 | -98.6 | 0 | 0 | 0 | 115.1 | ||||
| 1278 | F | 32.1 | Very low | 34.9 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 53.8 | 123.4 | 142.5 | -82.7 | -112.1 | 0 | 0 | 0 | 125.6 | ||||
| 1279 | A | 29.5 | Very low | 34.1 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | 81.6 | 116.4 | 131.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1280 | P | 41.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -100.9 | -151.9 | 157.7 | 44.3 | -35.1 | 0 | 0 | 0 | 109.4 | ||||
| 1281 | P | 43.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -118 | -148.6 | -14.2 | 33.4 | -9.3 | 0 | 0 | 0 | 110.5 | ||||
| 1282 | A | 34.4 | Very low | 33.4 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | cis | -156.1 | -176.2 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1283 | G | 29.1 | Very low | 33.1 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | -175.4 | 165.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1284 | P | 33.4 | Very low | 32.9 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -113.8 | 171.4 | -161.8 | 42.1 | -34.7 | 0 | 0 | 0 | 116.1 | ||||
| 1285 | Q | 37.6 | Very low | 32.6 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 155 | 153.7 | -79 | -172.1 | -18.1 | 0 | 0 | 111 | ||||
| 1286 | P | 33.6 | Very low | 31.9 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -136.5 | 146 | 139.3 | 35.9 | -23.5 | 0 | 0 | 0 | 114.1 | ||||
| 1287 | R | 25.9 | Very low | 31.9 | Very low | 225 Ų | 225 | 134.9 Ų | 134.9 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | trans | -84.3 | 151.1 | 152.6 | -69 | 172.5 | 152.6 | 174.2 | -9.1 | 108.9 | ||||
| 1288 | N | 26.2 | Very low | 31.8 | Very low | 155 Ų | 155 | 128.8 Ų | 128.8 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | 172.5 | 169.4 | 110.6 | -90.1 | -9.3 | 0 | 0 | 0 | 111.6 | |||||
| 1289 | S | 28.8 | Very low | 31.5 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -117.6 | 177.8 | -156.7 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1290 | L | 29.5 | Very low | 31.6 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | 94.7 | 163.7 | 153.5 | -72.5 | 164.1 | 0 | 0 | 0 | 120 | ||||
| 1291 | L | 34.1 | Very low | 31.3 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 82% | 0.815 | S | S | * | * | trans | -131.1 | 169.1 | -154.6 | -52.6 | 167.7 | 0 | 0 | 0 | 106.9 | ||||
| 1292 | H | 34.5 | Very low | 30.7 | Very low | 185 Ų | 185 | 128.9 Ų | 128.9 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | cis | -161.5 | 169.2 | -9.7 | -130.2 | 57.9 | 0 | 0 | 0 | 107.1 | ||||
| 1293 | G | 26.3 | Very low | 30.6 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 151.9 | 140.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1294 | G | 30 | Very low | 30.5 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 140.7 | 101.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1295 | N | 27.2 | Very low | 30.3 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 96% | 0.957 | 81% | 0.811 | S | S | * | * | trans | -83.6 | 154.4 | -178.2 | -75.7 | -32.8 | 0 | 0 | 0 | 113.6 | ||||
| 1296 | G | 31 | Very low | 29.9 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | -152 | 118.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1297 | S | 31.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | trans | -74.3 | 157.6 | 169.4 | 49.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1298 | G | 27.4 | Very low | 30 | Very low | 68 Ų | 68 | 123.2 Ų | 123.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | 154.4 | 175.9 | -1.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1299 | S | 27.5 | Very low | 30.3 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 83.1 | 143.7 | 170.1 | -151.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1300 | K | 30.5 | Very low | 30.3 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | 72.4 | 121.7 | 157 | -79.5 | 168.4 | -178.4 | 176 | 0 | 122.4 | ||||
| 1301 | I | 35 | Very low | 30.2 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | 68.5 | 138.8 | 140.9 | -54.7 | 163.5 | 0 | 0 | 0 | 115.6 | ||||
| 1302 | G | 32.6 | Very low | 30.1 | Very low | 59 Ų | 59 | 115.2 Ų | 115.2 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | cis | 164.7 | 167.5 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1303 | T | 31 | Very low | 29.8 | Very low | 137 Ų | 137 | 116.7 Ų | 116.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 11.3 | 110.1 | 165.8 | 53.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1304 | A | 27.7 | Very low | 30.1 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 68.2 | 138.4 | 64.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1305 | T | 29 | Very low | 29.9 | Very low | 149 Ų | 149 | 117.1 Ų | 117.1 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | 83 | 137.5 | 168.4 | 72 | 0 | 0 | 0 | 0 | 120 | ||||
| 1306 | G | 30.3 | Very low | 30 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 90 | 136.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1307 | S | 29.2 | Very low | 29.7 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | cis | -163.6 | 169.2 | -22.2 | -147.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1308 | E | 32.4 | Very low | 29.6 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | trans | 52.9 | 112.4 | 150.5 | -73.6 | 144.4 | -109.1 | 0 | 0 | 122.2 | ||||
| 1309 | S | 32.1 | Very low | 29.8 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | 71.5 | 147.3 | 121.6 | -55.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1310 | S | 28.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | cis | -172.2 | 140.5 | -21.3 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1311 | S | 27.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | 65.1 | 138.7 | 167.3 | 75.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1312 | G | 31.1 | Very low | 29.6 | Very low | 74 Ų | 74 | 115.1 Ų | 115.1 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | 175.4 | 33.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1313 | F | 29.2 | Very low | 29.3 | Very low | 217 Ų | 217 | 121.4 Ų | 121.4 | 95% | 0.952 | 76% | 0.762 | S | S | * | * | trans | 34.7 | 137.6 | 154 | -93.3 | -93 | 0 | 0 | 0 | 123.6 | ||||
| 1314 | G | 31.5 | Very low | 29.3 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | trans | 97.6 | 96.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1315 | S | 27.1 | Very low | 29.3 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | cis | 64.3 | 98.9 | 20.2 | -159.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1316 | F | 28.7 | Very low | 29.3 | Very low | 202 Ų | 202 | 120.3 Ų | 120.3 | 89% | 0.886 | 76% | 0.755 | S | S | * | * | trans | -149.4 | 102.5 | 147.3 | -105.2 | -68.1 | 0 | 0 | 0 | 110.6 | ||||
| 1317 | S | 25.6 | Very low | 29.2 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -116 | 106.4 | 162.7 | 39 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1318 | T | 28.4 | Very low | 29.2 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | trans | -169.7 | 140.4 | 172.5 | -2.3 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1319 | V | 31.6 | Very low | 28.9 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | cis | -132.8 | 129.6 | 39.7 | 175.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1320 | Q | 25.4 | Very low | 28.5 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | 55.9 | 150.8 | 79.6 | -98.1 | -172.1 | -7.9 | 0 | 0 | 114.3 | |||||
| 1321 | P | 32.8 | Very low | 28.4 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | cis | -96.7 | 149.8 | 32.3 | 0.5 | 22.1 | 0 | 0 | 0 | 113.4 | ||||
| 1322 | A | 29.6 | Very low | 28.4 | Very low | 64 Ų | 64 | 131 Ų | 131 | 53% | 0.529 | 76% | 0.764 | S | S | . | * | 64.9 | 88.5 | 64.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1323 | Q | 27 | Very low | 28.1 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | 67.4 | 106.9 | 80.8 | -76.2 | -165.4 | -26.3 | 0 | 0 | 115.5 | |||||
| 1324 | T | 29.9 | Very low | 27.9 | Very low | 140 Ų | 140 | 129 Ų | 129 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | -135 | 129.2 | 139.1 | 47.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1325 | S | 28.3 | Very low | 27.7 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 167.6 | 162.8 | 50.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1326 | S | 30 | Very low | 27.7 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | cis | -166.2 | 157.8 | 34.3 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1327 | H | 27.7 | Very low | 27.7 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | 32.5 | 128.8 | 154.6 | -63.1 | -75.5 | 0 | 0 | 0 | 119.6 | ||||
| 1328 | S | 29 | Very low | 27.7 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | -151.7 | 171 | 67.5 | -165 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1329 | Q | 25.2 | Very low | 27.7 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -76.1 | 140.1 | 178.3 | -65.5 | 159.8 | -89.5 | 0 | 0 | 112.1 | ||||
| 1330 | F | 25.4 | Very low | 27.4 | Very low | 202 Ų | 202 | 133 Ų | 133 | 89% | 0.886 | 77% | 0.774 | S | S | * | * | trans | -139.7 | 128.6 | 141.6 | -133.3 | -92 | 0 | 0 | 0 | 108.5 | ||||
| 1331 | V | 24.9 | Very low | 27.4 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -119.5 | 108.6 | -179.5 | 174.1 | 0 | 0 | 0 | 0 | 108.1 | T1333 | V1331-T1333 HydrophobicContact CG1-CG2 4.49Å; V1331-T1333 PolarHBondContact O-N 3.2Å | ||
| 1332 | P | 27 | Very low | 27 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | trans | -75.8 | 99.8 | 163.6 | 30.4 | -30 | 0 | 0 | 0 | 108.9 | ||||
| 1333 | T | 25.8 | Very low | 26.9 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | -67.8 | 164 | 147.8 | 46 | 0 | 0 | 0 | 0 | 109.5 | V1331 | V1331-T1333 HydrophobicContact CG1-CG2 4.49Å; V1331-T1333 PolarHBondContact O-N 3.2Å | ||
| 1334 | V | 26 | Very low | 27 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 78.3 | 114.2 | -168.7 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1335 | C | 26.8 | Very low | 26.8 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -138.3 | 144.4 | -6.9 | -118.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1336 | S | 25.8 | Very low | 27 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -112.2 | 103.6 | -176.7 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1337 | S | 28.8 | Very low | 27 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -109.3 | 62 | 168.8 | -58.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1338 | K | 26.5 | Very low | 26.9 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -149.1 | 79.9 | 176.3 | -162.9 | 165.6 | -171 | 168.6 | 0 | 114.3 | ||||
| 1339 | M | 27.4 | Very low | 26.7 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 98% | 0.975 | 77% | 0.774 | S | S | * | * | trans | -160.1 | 129.8 | 160.5 | -150.9 | 165.4 | 65 | 0 | 0 | 111.8 | ||||
| 1340 | G | 26.4 | Very low | 26.8 | Very low | 63 Ų | 63 | 131.4 Ų | 131.4 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | 117.4 | 99.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1342 | G1340-T1342 PolarHBondContact O-N 2.8Š| ||
| 1341 | E | 24.1 | Very low | 26.7 | Very low | 196 Ų | 196 | 127.8 Ų | 127.8 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 88 | 165.7 | -68.4 | 173.1 | 101.3 | 0 | 0 | 110.5 | ||||
| 1342 | T | 25.2 | Very low | 26.7 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -130.4 | 84.3 | 173.1 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | G1340 S1344 | G1340-T1342 PolarHBondContact O-N 2.8Å; T1342-S1344 PolarHBondContact O-N 3.08Å | ||
| 1343 | Q | 26.6 | Very low | 26.6 | Very low | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -47.9 | 110.4 | 171.9 | -67.3 | 173.9 | -25.1 | 0 | 0 | 111.4 | R342 Q1345 | R342-Q1343 PolarHBondContact NH1-O 3.48Å; R342-Q1343 PolarHBondContact NH2-O 3.02Å; Q1343-Q1345 PolarHBondContact O-N 2.88Å | ||
| 1344 | S | 29.4 | Very low | 26.6 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -79 | 119.8 | 170.2 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | T1342 | T1342-S1344 PolarHBondContact O-N 3.08Š| ||
| 1345 | Q | 27.1 | Very low | 26.7 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | trans | -131.9 | 121.8 | 170.5 | -84.6 | -169.5 | -22.8 | 0 | 0 | 107.3 | Q1343 | Q1343-Q1345 PolarHBondContact O-N 2.88Š| ||
| 1346 | V | 32.3 | Very low | 26.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -129.1 | 87.8 | 174.7 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1347 | F | 28.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 53% | 0.531 | 79% | 0.792 | S | S | . | * | trans | 39 | 92.1 | 146 | -61.8 | -76.1 | 0 | 0 | 0 | 119 | T346 H347 T348 | T346-F1347 WeakPolarHBondContact O-CE2 3.08Å; T346-F1347 WeakPolarHBondContact O-CZ 3.16Å; H347-F1347 HydrophobicContact CB-CZ 4.2Å; T348-F1347 HydrophobicContact CG2-CE2 4.39Å | ||
| 1348 | S | 26.6 | Very low | 26.9 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | -129.7 | 156 | 119.5 | -79.3 | 0 | 0 | 0 | 0 | 109.3 | G1350 | S1348-G1350 PolarHBondContact O-N 2.91Š| |||
| 1349 | S | 25.7 | Very low | 26.9 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -88 | 110 | -165.7 | -161.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1350 | G | 26.2 | Very low | 27 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 172.6 | 129.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S1348 | S1348-G1350 PolarHBondContact O-N 2.91Š| ||
| 1351 | S | 23.4 | Very low | 27 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | -109.4 | 117.9 | -169.8 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1352 | C | 25.6 | Very low | 27.2 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -148.2 | 138.1 | 144.5 | -164.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1353 | G | 24.6 | Very low | 27.4 | Very low | 77 Ų | 77 | 132.8 Ų | 132.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -100.5 | 109.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1354 | I | 26.5 | Very low | 27.6 | Very low | 156 Ų | 156 | 126.8 Ų | 126.8 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 138.2 | 171.8 | -60.6 | 176.3 | 0 | 0 | 0 | 108.9 | ||
| 1355 | K | 26.3 | Very low | 27.6 | Very low | 203 Ų | 203 | 128.7 Ų | 128.7 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 119.6 | 176.2 | -69.9 | -176.1 | 178.5 | -180 | 0 | 110.1 | ||
| 1356 | I | 28.2 | Very low | 28 | Very low | 163 Ų | 163 | 124.2 Ų | 124.2 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 143.3 | 176.8 | -60.2 | 170.6 | 0 | 0 | 0 | 109.6 | ||
| 1357 | S | 32.8 | Very low | 27.9 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 122.8 | 175.2 | -172.5 | 0 | 0 | 0 | 0 | 110.3 | R1359 | S1357-R1359 VanDerWaalsContact C-N 3.28Å; S1357-R1359 PolarHBondContact O-N 3.48Å |
| 1358 | E | 26.1 | Very low | 27.9 | Very low | 165 Ų | 165 | 124.3 Ų | 124.3 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -78 | 64.7 | -174.8 | -71.4 | -175.7 | -139.4 | 0 | 0 | 113.8 | ||
| 1359 | R | 25.5 | Very low | 28.1 | Very low | 234 Ų | 234 | 123.3 Ų | 123.3 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | -157.6 | 63.1 | 169 | -127.1 | 170 | -174.4 | 174.9 | -0.1 | 115.9 | S1357 | S1357-R1359 VanDerWaalsContact C-N 3.28Å; S1357-R1359 PolarHBondContact O-N 3.48Å | ||
| 1360 | T | 29.1 | Very low | 28.2 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | trans | -147.2 | 128.9 | 165.5 | 2.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1361 | T | 27.3 | Very low | 28.3 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -119.3 | 125.6 | 163.9 | 45 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1362 | I | 28.6 | Very low | 28.3 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 83% | 0.831 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 64.2 | 71.2 | 171.2 | -43.2 | 171.5 | 0 | 0 | 0 | 114.5 | ||
| 1363 | C | 28.1 | Very low | 28.3 | Very low | 40 Ų | 40 | 122 Ų | 122 | 27% | 0.27 | 69% | 0.687 | S | S | . | * | trans | -160.7 | 45.7 | 147.1 | -111 | 0 | 0 | 0 | 0 | 113.2 | R617 R620 E1365 | R617-C1363 VanDerWaalsContact CB-SG 3.56Å; R620-C1363 PolarHBondContact NH2-O 3.28Å; C1363-E1365 PolarHBondContact O-N 3.31Å | ||
| 1364 | G | 31.9 | Very low | 28.3 | Very low | 32 Ų | 32 | 127 Ų | 127 | 33% | 0.33 | 69% | 0.69 | S | S | . | * | trans | -53.4 | 138.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N387 M1366 | N387-G1364 WeakPolarHBondContact ND2-CA 3.41Å; N387-G1364 PolarHBondContact ND2-O 2.88Å; G1364-M1366 PolarHBondContact O-N 3.02Å | ||
| 1365 | E | 29.4 | Very low | 28.3 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | trans | -71 | 111.5 | 178.6 | -69.8 | 155.4 | 156.1 | 0 | 0 | 109.1 | C1363 | C1363-E1365 PolarHBondContact O-N 3.31Š| ||
| 1366 | M | 35.5 | Very low | 28.2 | Very low | 44 Ų | 44 | 123 Ų | 123 | 22% | 0.217 | 68% | 0.683 | C | S | . | * | trans | -92.2 | 120.8 | 145.7 | -134.7 | 164.4 | 77.8 | 0 | 0 | 104 | V457 G1364 S1368 | V457-M1366 HydrophobicContact CG2-CE 3.39Å; G1364-M1366 PolarHBondContact O-N 3.02Å; M1366-S1368 PolarHBondContact O-N 3.41Å | ||
| 1367 | E | 29.6 | Very low | 27.9 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | trans | -56.7 | 129.5 | 179.7 | -66.4 | -178.5 | 141.9 | 0 | 0 | 108.9 | T1369 | E1367-T1369 PolarHBondContact O-N 2.91Š| ||
| 1368 | S | 29 | Very low | 27.6 | Very low | 99 Ų | 99 | 119 Ų | 119 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | -65 | 97.4 | 152.3 | 38.5 | 0 | 0 | 0 | 0 | 105.9 | M1366 D1370 | M1366-S1368 PolarHBondContact O-N 3.41Å; S1368-D1370 PolarHBondContact O-N 3.46Å | ||
| 1369 | T | 31.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 63% | 0.632 | 68% | 0.684 | S | S | * | * | trans | -66.8 | 73.8 | 160.5 | 55.8 | 0 | 0 | 0 | 0 | 107.5 | E1367 L1371 | E1367-T1369 PolarHBondContact O-N 2.91Å; T1369-L1371 PolarHBondContact O-N 2.75Å | ||
| 1370 | D | 26.2 | Very low | 27.5 | Very low | 140 Ų | 140 | 111.7 Ų | 111.7 | 75% | 0.749 | 68% | 0.681 | S | S | * | * | trans | -50.3 | 111.7 | 154.1 | -80.1 | -29.1 | 0 | 0 | 0 | 105.3 | S1368 G1372 | S1368-D1370 PolarHBondContact O-N 3.46Å; D1370-G1372 VanDerWaalsContact C-N 3.29Å; D1370-G1372 PolarHBondContact O-N 3.02Å | ||
| 1371 | L | 29.3 | Very low | 27.4 | Very low | 151 Ų | 151 | 110.1 Ų | 110.1 | 79% | 0.791 | 68% | 0.681 | S | S | * | * | trans | -64.2 | 98.9 | 175.1 | -71.7 | 171.6 | 0 | 0 | 0 | 106.6 | T1369 | T1369-L1371 PolarHBondContact O-N 2.75Š| ||
| 1372 | G | 23.2 | Very low | 27.4 | Very low | 55 Ų | 55 | 111.7 Ų | 111.7 | 57% | 0.567 | 68% | 0.679 | S | S | * | * | trans | -51.4 | 148.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1370 E1374 | D1370-G1372 VanDerWaalsContact C-N 3.29Å; D1370-G1372 PolarHBondContact O-N 3.02Å; G1372-E1374 PolarHBondContact O-N 3.39Å | ||
| 1373 | A | 24.6 | Very low | 27.2 | Very low | 89 Ų | 89 | 116.8 Ų | 116.8 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 42.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1376 | A1373-T1376 PolarHBondContact O-OG1 3.18Š|
| 1374 | E | 24.9 | Very low | 27 | Very low | 183 Ų | 183 | 119.3 Ų | 119.3 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 16.5 | 176.4 | -64.4 | -164.2 | 130.5 | 0 | 0 | 112.7 | G1372 | G1372-E1374 PolarHBondContact O-N 3.39Š|
| 1375 | L | 27.3 | Very low | 26.8 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | trans | -103.3 | 2.4 | 165 | -83.6 | 172 | 0 | 0 | 0 | 114 | A1377 | L1375-A1377 PolarHBondContact O-N 2.98Š| ||
| 1376 | T | 24.1 | Very low | 26.7 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -79.4 | 55.5 | 172.1 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | A1373 | A1373-T1376 PolarHBondContact O-OG1 3.18Š| ||
| 1377 | A | 22.9 | Very low | 26.3 | Very low | 96 Ų | 96 | 128.8 Ų | 128.8 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -140.8 | 20.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1375 | L1375-A1377 PolarHBondContact O-N 2.98Š| ||
| 1378 | A | 25.5 | Very low | 26.4 | Very low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -144.7 | 151.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1379 | P | 27.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 161.9 | -153.6 | 33.3 | -37.6 | 0 | 0 | 0 | 115.8 | A1381 | P1379-A1381 PolarHBondContact O-N 2.84Š| ||
| 1380 | S | 22.8 | Very low | 26.3 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -54.4 | 112.5 | 171 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | Q1382 | S1380-Q1382 PolarHBondContact O-N 2.68Š| ||
| 1381 | A | 27.1 | Very low | 26.4 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -82.3 | 88.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1379 | P1379-A1381 PolarHBondContact O-N 2.84Š| ||
| 1382 | Q | 25.9 | Very low | 26.4 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -60.1 | 138.9 | 162.7 | -71.2 | 176.5 | -78 | 0 | 0 | 109.2 | S1380 S1384 | S1380-Q1382 PolarHBondContact O-N 2.68Å; Q1382-S1384 PolarHBondContact O-N 3.44Å; Q1382-S1384 PolarHBondContact O-OG 3.03Å | ||
| 1383 | W | 24.4 | Very low | 26.6 | Very low | 270 Ų | 270 | 138 Ų | 138 | 100% | 1.023 | 81% | 0.808 | S | S | * | * | trans | -59.2 | 104.3 | 170.2 | -79.6 | 63.3 | 0 | 0 | 0 | 109.3 | ||||
| 1384 | S | 24.7 | Very low | 26.9 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | trans | -134.1 | 126.1 | -172.4 | -48.5 | 0 | 0 | 0 | 0 | 108.3 | Q1382 | Q1382-S1384 PolarHBondContact O-N 3.44Å; Q1382-S1384 PolarHBondContact O-OG 3.03Å | ||
| 1385 | L | 27.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -63.8 | 144.3 | 177.5 | -79.8 | 78.1 | 0 | 0 | 0 | 110.4 | S1387 | L1385-S1387 PolarHBondContact O-N 2.64Š| ||
| 1386 | P | 26.6 | Very low | 27.2 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 81% | 0.812 | S | S | * | * | trans | -69.3 | 106.9 | -177.2 | 27.8 | -34.5 | 0 | 0 | 0 | 111.2 | ||||
| 1387 | S | 27.6 | Very low | 27.5 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.4 | 175.4 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | L1385 | L1385-S1387 PolarHBondContact O-N 2.64Š|
| 1388 | A | 32.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 141.8 Ų | 141.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 158.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1389 | R | 28.3 | Very low | 27.8 | Very low | 243 Ų | 243 | 144.1 Ų | 144.1 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 158 | -171.8 | -90.9 | -177.5 | 173.9 | 175.3 | -1.1 | 114.3 | ||
| 1390 | P | 29.1 | Very low | 27.8 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 166.2 | -161.9 | 35.8 | -38.7 | 0 | 0 | 0 | 115.2 | ||
| 1391 | A | 29.1 | Very low | 28.4 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -127.7 | 159.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1392 | I | 28.7 | Very low | 28.7 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -125.1 | 145.8 | -163.8 | -71.9 | 173.7 | 0 | 0 | 0 | 111.6 | ||||
| 1393 | Q | 28.3 | Very low | 29.1 | Very low | 193 Ų | 193 | 144.4 Ų | 144.4 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | 69.2 | 137.8 | 165.5 | -79.7 | 164.2 | -17.5 | 0 | 0 | 119.7 | ||||
| 1394 | G | 30 | Very low | 29.5 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 170.1 | 97.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1395 | H | 29.1 | Very low | 29.9 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -83.1 | 169.6 | 178.9 | -102.9 | -55.7 | 0 | 0 | 0 | 113.2 | ||||
| 1396 | H | 31 | Very low | 29.9 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | 98.5 | 142.9 | 165 | -57.9 | -72.7 | 0 | 0 | 0 | 116.8 | ||||
| 1397 | Q | 29.6 | Very low | 30.2 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 66% | 0.659 | 76% | 0.763 | S | S | * | * | cis | 153.2 | 137.1 | -22.4 | 160.5 | 176.8 | 13.2 | 0 | 0 | 107.3 | ||||
| 1398 | M | 26.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | trans | 67.7 | 151.3 | 172.9 | -68.2 | 161.8 | 53.4 | 0 | 0 | 116.7 | ||||
| 1399 | M | 27.9 | Very low | 30.4 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | cis | -159.1 | 161.3 | -15.9 | -94.7 | -106.2 | -77 | 0 | 0 | 108.2 | ||||
| 1400 | D | 26.8 | Very low | 30.5 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | trans | 40 | 135.6 | 149.8 | -52.3 | -18.1 | 0 | 0 | 0 | 120.3 | ||||
| 1401 | T | 36 | Very low | 30.6 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | -152.4 | 126.2 | 55.9 | 38.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1402 | T | 33.9 | Very low | 30.8 | Very low | 105 Ų | 105 | 132 Ų | 132 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | 54.9 | 133.3 | 85 | 69.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1403 | L | 34.3 | Very low | 30.9 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 74% | 0.739 | S | S | * | * | cis | -138.7 | 166.5 | 16.2 | -76.4 | 92.4 | 0 | 0 | 0 | 111.1 | ||||
| 1404 | G | 32.5 | Very low | 31 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | cis | 157.8 | -169.4 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1405 | M | 31.9 | Very low | 31.1 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 88% | 0.877 | 72% | 0.722 | S | S | * | * | trans | 70.5 | 96.1 | -176.1 | -49.6 | -163.7 | 74.3 | 0 | 0 | 114.1 | ||||
| 1406 | S | 29.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | cis | 83.1 | 147.8 | 36.8 | 98.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1407 | T | 32.2 | Very low | 30.9 | Very low | 102 Ų | 102 | 131 Ų | 131 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | cis | -167.3 | 138 | 14.9 | -2.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1408 | Y | 33 | Very low | 31 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | trans | 65.2 | 163.4 | 135 | -73.5 | -150.5 | 0 | 0 | 0 | 118.5 | ||||
| 1409 | D | 30.3 | Very low | 31.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | cis | -170.6 | 170.7 | -13 | -104.6 | 8.7 | 0 | 0 | 0 | 108.4 | ||||
| 1410 | V | 30.1 | Very low | 31.3 | Very low | 121 Ų | 121 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | cis | -176 | 171.5 | -32.5 | 72.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1411 | A | 32.1 | Very low | 31.7 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 75% | 0.746 | S | S | * | * | trans | 75.9 | 148 | 164 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1412 | S | 32.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | cis | -171.6 | 143.5 | -18.1 | -100.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1413 | L | 32.4 | Very low | 30.9 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 154.8 | 162.5 | -85.3 | 65.2 | 0 | 0 | 0 | 116.5 | ||||
| 1414 | E | 30.3 | Very low | 30.7 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | cis | -152.4 | 166.7 | 16.9 | -140.4 | 176.9 | -128.9 | 0 | 0 | 113.7 | ||||
| 1415 | Q | 31.9 | Very low | 30.6 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | trans | 68 | 98.7 | 158.6 | -70.5 | 174.6 | 36.1 | 0 | 0 | 123.3 | ||||
| 1416 | Q | 28 | Very low | 30.6 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 63 | 126 | 127.3 | -88.1 | -178.4 | -95 | 0 | 0 | 125.6 | |||||
| 1417 | D | 28.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | trans | 83 | 139.1 | 138.1 | -64.1 | -29.4 | 0 | 0 | 0 | 123.5 | ||||
| 1418 | T | 31.7 | Very low | 30.8 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 80% | 0.798 | 75% | 0.752 | S | S | * | * | trans | 74.7 | 110.2 | 167.1 | 37.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1419 | Q | 32.2 | Very low | 30.6 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | 77.8 | 94 | 142.5 | -64.1 | -172.8 | -49.8 | 0 | 0 | 120.2 | ||||
| 1420 | D | 28.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 138.5 Ų | 138.5 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -63.1 | 145.3 | 146.7 | -40.3 | -88.5 | 0 | 0 | 0 | 111.4 | ||||
| 1421 | V | 34.5 | Very low | 30.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | -159.7 | 129.9 | 112.8 | 150.6 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1422 | E | 29.8 | Very low | 30.9 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | trans | -60.7 | 153.2 | -175.1 | -55.4 | 151.1 | 135 | 0 | 0 | 114.7 | ||||
| 1423 | N | 24 | Very low | 30.8 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | -160.8 | 78.9 | 163.5 | -172.7 | 89 | 0 | 0 | 0 | 113 | ||||
| 1424 | E | 29 | Very low | 30.7 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -145.1 | 166.5 | 164.3 | -65.9 | -160.7 | 146.5 | 0 | 0 | 108.2 | ||||
| 1425 | E | 31.4 | Very low | 30.6 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | cis | -117.6 | 165.5 | 3.9 | -62 | 176.7 | 101.7 | 0 | 0 | 110 | ||||
| 1426 | E | 31.1 | Very low | 30.4 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | -171.5 | 154.3 | 63.8 | -102.4 | -149.3 | 131.3 | 0 | 0 | 107.8 | |||||
| 1427 | L | 32.6 | Very low | 30.4 | Very low | 92 Ų | 92 | 139 Ų | 139 | 48% | 0.482 | 72% | 0.716 | S | S | . | * | cis | -156.8 | 168.9 | 1.4 | -95.8 | -177.1 | 0 | 0 | 0 | 111.6 | ||||
| 1428 | K | 32.3 | Very low | 30.3 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 67% | 0.665 | 71% | 0.713 | S | S | * | * | trans | 21.2 | 139.6 | 142 | -60.4 | 162.3 | -169.4 | 121.8 | 0 | 119.9 | ||||
| 1429 | L | 30 | Very low | 30.3 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 64% | 0.639 | 71% | 0.713 | S | S | * | * | cis | -171.3 | -173.8 | -1.2 | -102.5 | 170.5 | 0 | 0 | 0 | 106.6 | ||||
| 1430 | G | 33.3 | Very low | 30 | Very low | 31 Ų | 31 | 139.3 Ų | 139.3 | 32% | 0.32 | 71% | 0.709 | S | S | . | * | cis | 138.8 | 137.8 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1071 | V1071-G1430 PolarHBondContact O-N 2.82Š| ||
| 1431 | D | 33.5 | Very low | 30.5 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | cis | -169.3 | 161.4 | 2.2 | -132.7 | -49.7 | 0 | 0 | 0 | 116.1 | ||||
| 1432 | T | 31.1 | Very low | 30.2 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 56% | 0.558 | 69% | 0.692 | S | S | * | * | trans | 67.4 | 150.9 | 162.2 | 73.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1433 | K | 31.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | -179.1 | 154.8 | 57.8 | -134.9 | 164.3 | -160 | 175.7 | 0 | 114.1 | |||||
| 1434 | S | 29.9 | Very low | 30.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | 36 | 128.4 | 153.5 | 56.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1435 | L | 27.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | cis | 82.8 | 136.1 | 32.1 | -156.5 | 106.7 | 0 | 0 | 0 | 114.8 | ||||
| 1436 | E | 27 | Very low | 30.5 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | trans | 69.6 | 153.6 | 166.9 | -73.5 | 171.3 | 170.4 | 0 | 0 | 118.1 | ||||
| 1437 | E | 28.1 | Very low | 30.9 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | cis | -159 | 164.7 | 1.2 | -131.6 | -165.3 | 143.3 | 0 | 0 | 113.8 | ||||
| 1438 | Q | 27.5 | Very low | 30.7 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | trans | 64.5 | 155.9 | 152.2 | -71.4 | 178.2 | 31.1 | 0 | 0 | 119.7 | ||||
| 1439 | Q | 30.6 | Very low | 30.6 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | cis | -145.1 | 154.7 | 20.3 | -146.5 | 155.2 | 68.4 | 0 | 0 | 113.9 | ||||
| 1440 | N | 25.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -80.2 | -168.9 | 176.9 | -135.5 | 0.4 | 0 | 0 | 0 | 110.3 | ||||
| 1441 | P | 40.6 | Very low | 30.3 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | cis | -146.5 | 167 | 21 | 45.3 | -25.1 | 0 | 0 | 0 | 119.6 | ||||
| 1442 | Q | 28.3 | Very low | 30.2 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | 62 | 154.4 | 135.6 | -75.5 | -179.3 | -80.5 | 0 | 0 | 121.2 | ||||
| 1443 | D | 29.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | cis | -160.8 | -176.4 | -12.3 | -130 | -35 | 0 | 0 | 0 | 110.3 | ||||
| 1444 | E | 30.6 | Very low | 30.3 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | trans | 69.3 | 158.6 | 165 | -59.6 | -165.6 | 154.3 | 0 | 0 | 118.9 | ||||
| 1445 | Q | 29.7 | Very low | 30.4 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | -161.3 | 169.2 | -57.6 | -115.5 | 174.3 | 54.5 | 0 | 0 | 109.1 | |||||
| 1446 | K | 31.3 | Very low | 30.6 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | trans | -53.4 | 163.4 | 170.6 | -84.8 | -176.7 | 175.9 | -173.6 | 0 | 112.7 | ||||
| 1447 | P | 38.1 | Very low | 30.7 | Very low | 96 Ų | 96 | 144 Ų | 144 | 62% | 0.623 | 71% | 0.707 | S | S | * | * | cis | -154.1 | 177.3 | 40.1 | 46.4 | -25.9 | 0 | 0 | 0 | 119.7 | ||||
| 1448 | E | 29.4 | Very low | 30.9 | Very low | 160 Ų | 160 | 141 Ų | 141 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | 50.5 | 152.4 | 134 | -69 | 152.6 | -153 | 0 | 0 | 121.5 | ||||
| 1449 | Q | 29 | Very low | 30.9 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | cis | -162.1 | 149.9 | 8.6 | -134.7 | 173.8 | -23.2 | 0 | 0 | 112.3 | ||||
| 1450 | E | 28.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | 53.5 | 166.4 | 139.2 | -79.9 | 163.7 | -132.5 | 0 | 0 | 121.5 | ||||
| 1451 | Q | 28.7 | Very low | 31.5 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | cis | -152.6 | -174.8 | 10.2 | -141.7 | 161 | 41.7 | 0 | 0 | 113.7 | ||||
| 1452 | D | 32.4 | Very low | 30.9 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 67% | 0.674 | 71% | 0.712 | S | S | * | * | trans | 77.3 | 152.8 | 169.5 | -58.8 | -32.7 | 0 | 0 | 0 | 117.2 | ||||
| 1453 | Q | 31.6 | Very low | 31.1 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | cis | -174.1 | 166.9 | -19.5 | -101 | 165.9 | 41.6 | 0 | 0 | 105 | ||||
| 1454 | D | 32.3 | Very low | 31.2 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | cis | -151.6 | -179.4 | -49.9 | -85.2 | -17.4 | 0 | 0 | 0 | 104.4 | ||||
| 1455 | E | 31.3 | Very low | 31 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | cis | -153 | -169.9 | 13.7 | -147 | 175.7 | -162.2 | 0 | 0 | 104.8 | ||||
| 1456 | D | 32.9 | Very low | 31 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | cis | -159.6 | -174.7 | 6.5 | -168.5 | 22.7 | 0 | 0 | 0 | 111.6 | ||||
| 1457 | Q | 30.2 | Very low | 30.8 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | -64 | 175.9 | 176.8 | -72.3 | 161.5 | 86.2 | 0 | 0 | 118.1 | ||||
| 1458 | A | 30.4 | Very low | 30.1 | Very low | 76 Ų | 76 | 134 Ų | 134 | 63% | 0.628 | 74% | 0.735 | S | S | * | * | cis | -173.8 | 167.4 | -26.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1459 | Q | 27.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | trans | 63.7 | 113.3 | 145.2 | -79.9 | 171.3 | -18.9 | 0 | 0 | 124.5 | ||||
| 1460 | E | 27.3 | Very low | 29.7 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | 54.9 | 170.8 | 114.1 | -91.7 | -162.6 | 176.2 | 0 | 0 | 123.6 | |||||
| 1461 | P | 41.6 | Very low | 29.5 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | cis | -135.7 | 154.8 | -6.3 | 21.9 | 2.8 | 0 | 0 | 0 | 119.1 | ||||
| 1462 | L | 28.8 | Very low | 29.4 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | 44.4 | 130 | 140.8 | -78.8 | 75.4 | 0 | 0 | 0 | 124.7 | ||||
| 1463 | A | 33.1 | Very low | 29.1 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | -150.4 | 178.2 | 118.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1464 | T | 30 | Very low | 28.9 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | -147.1 | 110.8 | -107.6 | -68.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1465 | G | 27.4 | Very low | 28.7 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 73.9 | 158.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1466 | G | 28.4 | Very low | 28.5 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | 156.6 | 152.7 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1467 | Q | 27.2 | Very low | 28.3 | Very low | 191 Ų | 191 | 127.8 Ų | 127.8 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 167.9 | 160.3 | -68.7 | 174.8 | -22.5 | 0 | 0 | 118.3 | ||||
| 1468 | L | 24.1 | Very low | 28.2 | Very low | 156 Ų | 156 | 124.1 Ų | 124.1 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | -169.5 | 146.8 | -51.3 | -129.5 | 170.3 | 0 | 0 | 0 | 108.6 | |||||
| 1469 | A | 24.8 | Very low | 28.1 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | trans | 77 | 145.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 1470 | F | 26.1 | Very low | 28 | Very low | 182 Ų | 182 | 130 Ų | 130 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 95 | 94.8 | 135 | -122.7 | -100.4 | 0 | 0 | 0 | 123.4 | ||||
| 1471 | L | 24 | Very low | 28.6 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | 26.3 | 120.1 | 129.2 | -60 | 171.3 | 0 | 0 | 0 | 121.4 | |||||
| 1472 | S | 26.8 | Very low | 27.8 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | -164.4 | 127.5 | 122.8 | -75.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 1473 | N | 25 | Very low | 27.8 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | 85.9 | 144.3 | 50.1 | -94.6 | 22.1 | 0 | 0 | 0 | 116.1 | |||||
| 1474 | S | 28.1 | Very low | 27.3 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | trans | 62.3 | 107.8 | 164.3 | 41.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 1475 | E | 28.1 | Very low | 27.8 | Very low | 198 Ų | 198 | 128.4 Ų | 128.4 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | 95.1 | 142.4 | 85.2 | -82.2 | 171.6 | 136.4 | 0 | 0 | 111.7 | |||||
| 1476 | G | 27.2 | Very low | 27.7 | Very low | 56 Ų | 56 | 131 Ų | 131 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | cis | 168.2 | 177.4 | -3.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1477 | T | 28.8 | Very low | 27.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | trans | 65.8 | 155.5 | 172 | 69.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1478 | A | 26.7 | Very low | 27.7 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | cis | -169.6 | 178.1 | -28.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1479 | Q | 30.1 | Very low | 27.9 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | 80.2 | 100.4 | 159.8 | -62.6 | -175.6 | -21.7 | 0 | 0 | 120.4 | ||||
| 1480 | E | 24.2 | Very low | 28 | Very low | 182 Ų | 182 | 134.6 Ų | 134.6 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | -25.6 | 171.4 | 126.1 | -86.6 | -159.6 | 126.4 | 0 | 0 | 118.3 | |||||
| 1481 | P | 39.5 | Very low | 28.3 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 58% | 0.584 | 76% | 0.764 | S | S | * | * | cis | -146.5 | -167.3 | -28 | 40.6 | -21.5 | 0 | 0 | 0 | 114.8 | ||||
| 1482 | L | 25.2 | Very low | 28.7 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 68.1 | 119.6 | 154.8 | -66.6 | 172.5 | 0 | 0 | 0 | 120.6 | ||||
| 1483 | S | 28.4 | Very low | 29 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | 152.2 | 134.9 | 121.9 | -66.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1484 | S | 24.2 | Very low | 29.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -102.6 | -174.3 | 165.8 | 64.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1485 | P | 38.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | cis | -144 | -166.4 | 5.1 | 33 | -7.1 | 0 | 0 | 0 | 116.5 | ||||
| 1486 | I | 26.3 | Very low | 29.6 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | trans | 76.2 | 137.3 | 155.6 | 3.3 | 173.5 | 0 | 0 | 0 | 123.8 | ||||
| 1487 | Y | 29 | Very low | 29.8 | Very low | 214 Ų | 214 | 134.4 Ų | 134.4 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | 86.8 | 146.5 | 154.1 | -82.2 | -65.3 | 0 | 0 | 0 | 121.5 | ||||
| 1488 | S | 25.6 | Very low | 29.7 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -109.6 | 160.8 | -160.5 | -30.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1489 | L | 28.4 | Very low | 29.8 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | -179 | 171 | 114.1 | -94.4 | 171.4 | 0 | 0 | 0 | 113.1 | |||||
| 1490 | S | 27.1 | Very low | 29.7 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | -81.9 | 159.1 | -157 | -43 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1491 | S | 32 | Very low | 30 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 59.7 | 172.6 | 141.4 | 60.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1492 | E | 32.2 | Very low | 29.5 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | cis | -124.1 | 175 | 3.8 | -64.5 | 169.4 | 127.3 | 0 | 0 | 108.6 | ||||
| 1493 | D | 34.1 | Very low | 29.5 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | cis | -155.4 | 151.5 | 45.5 | -94.5 | -54.5 | 0 | 0 | 0 | 109 | ||||
| 1494 | S | 28.2 | Very low | 29.8 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | cis | 100.1 | 125.1 | 33 | 96.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1495 | N | 31.8 | Very low | 30 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | 177.4 | 90.8 | 146.3 | -97.5 | -60.7 | 0 | 0 | 0 | 115.3 | ||||
| 1496 | V | 34.4 | Very low | 29.6 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | 48.5 | 124.1 | 133.7 | -67.6 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1497 | S | 29.8 | Very low | 30 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | 93.2 | 167.9 | 124.8 | -154.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1498 | S | 27.9 | Very low | 30 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | -149.3 | 160.5 | -150.5 | 60.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1499 | A | 27.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | 66.9 | 119 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1500 | G | 28.7 | Very low | 30.1 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | -171.3 | 130.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1501 | I | 29.8 | Very low | 30.1 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | trans | -105 | 127.1 | -165.3 | -61.8 | 167.9 | 0 | 0 | 0 | 112.3 | ||||
| 1502 | R | 29.3 | Very low | 30 | Very low | 244 Ų | 244 | 131.6 Ų | 131.6 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | trans | -164.1 | 122.4 | 140.1 | -113.7 | 170.7 | -174.1 | -169.5 | -0.1 | 114 | ||||
| 1503 | N | 25.8 | Very low | 29.9 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -81.3 | 173.4 | 161.3 | -112.7 | -29.9 | 0 | 0 | 0 | 109.4 | ||||
| 1504 | P | 33.7 | Very low | 29.8 | Very low | 53 Ų | 53 | 130.2 Ų | 130.2 | 34% | 0.344 | 75% | 0.752 | S | S | . | * | cis | -138.5 | 159.3 | 26.5 | 39.1 | -20.1 | 0 | 0 | 0 | 118.8 | H1883 | P1504-H1883 WeakPolarHBondContact CG-CE1 3.22Å; P1504-H1883 PolarHBondContact O-CE1 2.92Å; P1504-H1883 PolarHBondContact O-NE2 3.23Å | ||
| 1505 | M | 29.8 | Very low | 29.7 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 64% | 0.635 | 76% | 0.759 | S | S | * | * | trans | 58 | 149.5 | 142.8 | -72.4 | -167.1 | 171.4 | 0 | 0 | 121.9 | H1883 | M1505-H1883 WeakPolarHBondContact CB-CE1 3.27Å; M1505-H1883 PolarHBondContact O-CE1 2.76Å; M1505-H1883 VanDerWaalsContact O-CE1 3.23Å; M1505-H1883 PolarHBondContact O-NE2 2.85Å | ||
| 1506 | L | 28.9 | Very low | 29.5 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | 177.7 | 167.8 | -24.4 | -106.7 | -176.8 | 0 | 0 | 0 | 104.6 | ||||
| 1507 | P | 35 | Very low | 29.2 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -137.1 | -174.2 | 20.6 | 43.8 | -25.2 | 0 | 0 | 0 | 117.9 | ||||
| 1508 | T | 30.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 80.5 | 115 | 156.1 | 44.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1509 | L | 29.4 | Very low | 29 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 78 | 81 | 135 | -62.7 | 168.4 | 0 | 0 | 0 | 120.9 | ||||
| 1510 | H | 25.8 | Very low | 29 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | -92.8 | 166.1 | 115.6 | -76.1 | -94.9 | 0 | 0 | 0 | 107.7 | |||||
| 1511 | T | 27.8 | Very low | 29 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -156 | -176 | 22.5 | -25.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 1512 | D | 29.5 | Very low | 29 | Very low | 145 Ų | 145 | 139 Ų | 139 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 96.9 | 114 | 148.8 | -55.5 | -34.8 | 0 | 0 | 0 | 119.9 | ||||
| 1513 | D | 29.9 | Very low | 29.1 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -66 | 149.4 | 159 | -82.7 | -67.6 | 0 | 0 | 0 | 111.3 | M1515 | D1513-M1515 PolarHBondContact O-N 3.48Š| ||
| 1514 | P | 32.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -82.6 | 103.6 | -175.2 | 32.2 | -34.5 | 0 | 0 | 0 | 113.2 | ||||
| 1515 | M | 25.5 | Very low | 29.1 | Very low | 152 Ų | 152 | 133 Ų | 133 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | -126.4 | 134.3 | 154.9 | -94.9 | -163.5 | 70.8 | 0 | 0 | 111 | D1513 | D1513-M1515 PolarHBondContact O-N 3.48Š| ||
| 1516 | Y | 28 | Very low | 29.3 | Very low | 208 Ų | 208 | 135.1 Ų | 135.1 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 54 | 109.8 | -177.4 | -67.8 | -69.8 | 0 | 0 | 0 | 116.8 | ||||
| 1517 | S | 27.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -128.8 | 121.2 | 157.1 | -167.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1518 | I | 24.1 | Very low | 29.1 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -106.5 | 118.2 | 171.4 | -67 | 172.9 | 0 | 0 | 0 | 107.4 | V1520 | I1518-V1520 HydrophobicContact CG2-CG2 4.09Š| ||
| 1519 | V | 29.1 | Very low | 29 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -134 | 115.9 | 168.8 | -179.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1520 | V | 28.4 | Very low | 29 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | cis | 76 | 72.4 | 39.8 | -165.8 | 0 | 0 | 0 | 0 | 113.4 | I1518 | I1518-V1520 HydrophobicContact CG2-CG2 4.09Š| ||
| 1521 | E | 29.2 | Very low | 29 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -122.2 | 111.3 | 138.6 | -64.4 | -170.2 | 149.8 | 0 | 0 | 106.4 | ||||
| 1522 | S | 29.2 | Very low | 28.9 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 77.9 | 97.6 | 63.3 | -65.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1523 | P | 31.6 | Very low | 28.8 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -108.5 | 131.4 | 149.3 | 34.3 | -27.1 | 0 | 0 | 0 | 111.1 | ||||
| 1524 | G | 31.4 | Very low | 28.7 | Very low | 86 Ų | 86 | 139 Ų | 139 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -74.4 | 150.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1525 | S | 28.8 | Very low | 28.5 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -105.8 | 145.9 | 172.1 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1526 | I | 33 | Very low | 29 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -148.9 | 156.6 | 146.1 | -109 | 156.9 | 0 | 0 | 0 | 109.8 | ||||
| 1527 | T | 28.1 | Very low | 29 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | -101.7 | 156.3 | -163.8 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1528 | T | 31.6 | Very low | 29 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | -171.6 | 172.9 | 120.8 | 19.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1529 | S | 27.3 | Very low | 29.4 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -141.2 | 150.6 | -163.6 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1530 | R | 30.2 | Very low | 29.3 | Very low | 255 Ų | 255 | 134.9 Ų | 134.9 | 96% | 0.962 | 78% | 0.782 | S | S | * | * | trans | -170.7 | 178.4 | 150 | -103.1 | 151.3 | -160.4 | -126 | 2.3 | 111.1 | ||||
| 1531 | S | 26.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -142.5 | 160 | -151.4 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1532 | V | 24.8 | Very low | 29.3 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 78 | 108.6 | 165.8 | -172.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1533 | T | 27.8 | Very low | 29.2 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | -159.5 | 161.4 | 124.2 | 17.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1534 | H | 27.8 | Very low | 29.2 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | trans | -60.8 | 148.4 | -169.8 | -84.6 | -111 | 0 | 0 | 0 | 118.5 | ||||
| 1535 | T | 28.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -68.9 | 171 | 153.1 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1536 | P | 35.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | cis | -151.7 | -167.6 | 30.8 | 44.4 | -22.1 | 0 | 0 | 0 | 118.5 | ||||
| 1537 | T | 28.2 | Very low | 29.3 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 146 | 162.4 | 54.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1538 | S | 28.5 | Very low | 29.3 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 55% | 0.545 | 78% | 0.775 | S | S | . | * | cis | 174.4 | 153.3 | -33.7 | 46.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1539 | F | 31 | Very low | 29.3 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | 173.4 | 138.4 | 120.2 | -98.1 | -67 | 0 | 0 | 0 | 113.5 | |||||
| 1540 | L | 27 | Very low | 29.4 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -90.6 | 153.6 | 156.4 | -67.4 | 158.2 | 0 | 0 | 0 | 108.7 | ||||
| 1541 | P | 31.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -99.2 | 102.2 | 154.6 | 33.1 | -23.4 | 0 | 0 | 0 | 110.1 | ||||
| 1542 | S | 26.6 | Very low | 30 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -95 | 165.9 | 159.8 | -56.7 | 0 | 0 | 0 | 0 | 109.7 | T1544 | S1542-T1544 PolarHBondContact O-N 2.82Š| ||
| 1543 | D | 26.6 | Very low | 30.4 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -50.9 | 127.1 | -177.8 | -54.6 | -88.1 | 0 | 0 | 0 | 114 | ||||
| 1544 | T | 31.4 | Very low | 30.4 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -140.9 | 119.3 | 157 | 61.1 | 0 | 0 | 0 | 0 | 110.9 | S1542 | S1542-T1544 PolarHBondContact O-N 2.82Š| ||
| 1545 | N | 31.3 | Very low | 31 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | trans | -110.6 | 134.3 | 144.1 | -121.3 | -29.7 | 0 | 0 | 0 | 107.8 | ||||
| 1546 | V | 31.9 | Very low | 31.2 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | trans | -114.1 | 142.9 | -169.1 | -173 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1547 | S | 33.3 | Very low | 31.1 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | -164.6 | 138.7 | 61.2 | 53.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1548 | Q | 28.1 | Very low | 31.4 | Very low | 168 Ų | 168 | 133.4 Ų | 133.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | 51 | 102.7 | 74.8 | -69.2 | -165.9 | 2.9 | 0 | 0 | 115.7 | |||||
| 1549 | T | 31.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -134.8 | 144.1 | 137.5 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1550 | S | 29.5 | Very low | 32.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -107.4 | 134.6 | -172.4 | -51.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1551 | S | 33.4 | Very low | 32.5 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -66.7 | 148.9 | 174.3 | -44 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1552 | P | 34.3 | Very low | 32.6 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -141.4 | 172.6 | 130.7 | 39.2 | -27.4 | 0 | 0 | 0 | 114.5 | ||||
| 1553 | Q | 34 | Very low | 32.6 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | 79.9 | 109.9 | 169.7 | -58.5 | -173 | -21.7 | 0 | 0 | 118.4 | ||||
| 1554 | A | 27.4 | Very low | 33.3 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -94.3 | 169.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1555 | P | 41.6 | Very low | 33.3 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | -147.8 | 143.1 | 121.6 | 37.7 | -23.3 | 0 | 0 | 0 | 115.8 | |||||
| 1556 | H | 33.6 | Very low | 33.3 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 59.6 | 141.2 | 170.2 | -49.8 | -66 | 0 | 0 | 0 | 115.5 | ||||
| 1557 | G | 31.7 | Very low | 33.2 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | 153.3 | 154.9 | 17 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1558 | E | 34.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | cis | -140.3 | 171.8 | 11.5 | -63.3 | 170.1 | 119.2 | 0 | 0 | 109.2 | ||||
| 1559 | D | 38.7 | Very low | 33 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 40.3 | 141 | 159.2 | -56.8 | -6.5 | 0 | 0 | 0 | 122.2 | ||||
| 1560 | G | 35 | Very low | 33 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | cis | 159.2 | 135.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1561 | D | 36.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | 37 | 135.9 | 167 | -56.2 | -20.1 | 0 | 0 | 0 | 121.3 | ||||
| 1562 | G | 33.9 | Very low | 33.1 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -177.5 | 168.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1563 | T | 25.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -99.8 | -177.5 | -170.7 | 53.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1564 | P | 41 | Very low | 33.2 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | cis | -129.4 | -175.9 | -40.2 | 33.4 | -16.3 | 0 | 0 | 0 | 112.3 | ||||
| 1565 | I | 32.8 | Very low | 33.6 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | -167.8 | 154.9 | 131.7 | -104.6 | 161.4 | 0 | 0 | 0 | 112.7 | ||||
| 1566 | S | 29.8 | Very low | 33.2 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -58.8 | 154.2 | -171.3 | 56.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1567 | L | 31.6 | Very low | 33.4 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | -173.1 | 164.7 | 103.1 | -98.6 | 170.4 | 0 | 0 | 0 | 114.5 | |||||
| 1568 | Y | 27.2 | Very low | 33.6 | Very low | 223 Ų | 223 | 141.1 Ų | 141.1 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | -85 | 130.7 | -178.2 | -92.1 | -110.4 | 0 | 0 | 0 | 113.9 | ||||
| 1569 | R | 29.6 | Very low | 33.5 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 78% | 0.782 | S | S | * | * | trans | 164 | 155.8 | 144.2 | -100.7 | 172.4 | 173.8 | 178.3 | -3.2 | 110.4 | ||||
| 1570 | A | 31.2 | Very low | 33.3 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | cis | -145.6 | -167.5 | 2.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1571 | N | 31.6 | Very low | 33.3 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -73.7 | 175 | -173.9 | -53.5 | 12.2 | 0 | 0 | 0 | 114.3 | ||||
| 1572 | S | 33.2 | Very low | 33.3 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -3.2 | 149.2 | 148.7 | -47.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1573 | L | 35.4 | Very low | 33.2 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | cis | -152.2 | 156.4 | 17.2 | -156.6 | 84.4 | 0 | 0 | 0 | 111.8 | ||||
| 1574 | E | 35 | Very low | 33.5 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | trans | 5.8 | 127.9 | 147.2 | -173.7 | 171.4 | -127.3 | 0 | 0 | 121 | ||||
| 1575 | T | 36.1 | Very low | 33.3 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | -161.7 | 135 | 119.8 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1576 | V | 32.5 | Very low | 33.4 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | trans | -54.1 | 164 | 152.4 | -79.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1577 | D | 37.1 | Very low | 33.7 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -149.8 | -176.5 | -10.3 | -104.1 | -33.5 | 0 | 0 | 0 | 105 | ||||
| 1578 | D | 35.9 | Very low | 33.8 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | 179.5 | 147.8 | 46.4 | -136.5 | -4.4 | 0 | 0 | 0 | 109.9 | ||||
| 1579 | L | 34.5 | Very low | 34.2 | Very low | 140 Ų | 140 | 138 Ų | 138 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 59.8 | 167.3 | 147.4 | -58 | 169.3 | 0 | 0 | 0 | 120.6 | ||||
| 1580 | D | 34.6 | Very low | 34.4 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | cis | -148.7 | 165.4 | 9.4 | -156.9 | 27.4 | 0 | 0 | 0 | 117.7 | ||||
| 1581 | T | 34.4 | Very low | 34.5 | Very low | 82 Ų | 82 | 136.5 Ų | 136.5 | 50% | 0.503 | 74% | 0.739 | S | S | . | * | trans | -9.5 | 159.6 | 167 | 61.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1582 | T | 37 | Very low | 34.8 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | -133.8 | 148.1 | 120 | 36.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1583 | K | 31.8 | Very low | 35 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -105.8 | 178.1 | 178.7 | -59.2 | 178.2 | -178.7 | 179.3 | 0 | 110.2 | ||||
| 1584 | G | 32.1 | Very low | 35 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | cis | -157.8 | -144.8 | 6.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1585 | S | 36.2 | Very low | 34.9 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | cis | -175.8 | 147.2 | 9.4 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1586 | L | 33.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | 55.3 | 156.3 | 161.5 | -94.4 | 60.7 | 0 | 0 | 0 | 118.1 | ||||
| 1587 | E | 35.8 | Very low | 34.4 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 70% | 0.696 | 74% | 0.744 | S | S | * | * | cis | -156 | 152.8 | 29 | -140.2 | 148.5 | -129.6 | 0 | 0 | 110.9 | ||||
| 1588 | E | 35.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | 60.5 | 141.4 | 160.6 | -72.4 | 162.2 | -171.4 | 0 | 0 | 119.5 | ||||
| 1589 | E | 34.9 | Very low | 33.4 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | cis | -144.1 | 149.7 | 17.1 | -117 | 165.1 | -173.4 | 0 | 0 | 111.9 | ||||
| 1590 | E | 33.8 | Very low | 33.3 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | 52.6 | 142.9 | 155.4 | -60.8 | -178.5 | 176.1 | 0 | 0 | 123.1 | ||||
| 1591 | E | 34 | Very low | 33.1 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 62% | 0.621 | 77% | 0.766 | S | S | * | * | cis | -170.4 | 137.9 | -34.7 | -123.6 | -173 | 171 | 0 | 0 | 110.8 | ||||
| 1592 | Y | 37.8 | Very low | 33 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | 56.5 | 162.6 | 161.9 | -53.7 | -51.6 | 0 | 0 | 0 | 121.6 | ||||
| 1593 | D | 37.3 | Very low | 32.8 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | -161.5 | 159.7 | -43.8 | -104.7 | 3.1 | 0 | 0 | 0 | 107.1 | ||||
| 1594 | D | 34.3 | Very low | 32.7 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -80 | 153.8 | -179.8 | -52.6 | -74 | 0 | 0 | 0 | 113.5 | ||||
| 1595 | D | 32.9 | Very low | 32.7 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -171.3 | 172.9 | 132.6 | -119.2 | -25.4 | 0 | 0 | 0 | 115 | ||||
| 1596 | D | 30.2 | Very low | 32.6 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -103.8 | 170.3 | -160.3 | -135.2 | -36.3 | 0 | 0 | 0 | 116 | ||||
| 1597 | C | 29.2 | Very low | 32.6 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 68% | 0.676 | 77% | 0.766 | S | S | * | * | trans | 64.5 | 137.8 | 145.6 | -81.2 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 1598 | V | 25.5 | Very low | 32.6 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | trans | 75 | 134.6 | 132.9 | 174.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1599 | I | 25.9 | Very low | 32.6 | Very low | 161 Ų | 161 | 142 Ų | 142 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -3.4 | 119 | 154.1 | -49.5 | 162.1 | 0 | 0 | 0 | 117.9 | ||||
| 1600 | A | 31.7 | Very low | 32.5 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -167.4 | 158.9 | 134.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1601 | L | 30.7 | Very low | 32.7 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -105.4 | 132.9 | 168.8 | -69 | 161.4 | 0 | 0 | 0 | 109.6 | ||||
| 1602 | D | 32.6 | Very low | 32.5 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | trans | 164.1 | 173.7 | 134.7 | -98.6 | -23.8 | 0 | 0 | 0 | 111.7 | ||||
| 1603 | G | 32.7 | Very low | 32.4 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 114.5 | 46.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1604 | T | 30.4 | Very low | 32 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -62.9 | 158.6 | 171 | 46.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1605 | E | 30.9 | Very low | 31.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | 77.4 | 158.4 | 167.7 | -67.1 | -171.3 | -138.1 | 0 | 0 | 115.9 | R1607 | E1605-R1607 IonicContact OE2-NE 3.96Å; E1605-R1607 IonicContact OE2-NH2 3.6Å | ||
| 1606 | V | 34.9 | Very low | 31.6 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | cis | -148.6 | 116.2 | 36.3 | -179.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1607 | R | 33.7 | Very low | 31.5 | Very low | 185 Ų | 185 | 134.3 Ų | 134.3 | 70% | 0.698 | 77% | 0.768 | S | S | * | * | trans | 54.5 | 138.8 | 146 | -55.6 | 165.3 | -160.2 | 159.5 | 9.5 | 121.1 | E1605 Y1609 | E1605-R1607 IonicContact OE2-NE 3.96Å; E1605-R1607 IonicContact OE2-NH2 3.6Å; R1607-Y1609 HydrophobicContact CB-CE2 4.16Å; R1607-Y1609 HydrophobicContact CG-CE2 4.22Å | ||
| 1608 | G | 36.5 | Very low | 31.4 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | cis | 147.9 | -170.4 | -7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1609 | Y | 33.6 | Very low | 31.7 | Very low | 199 Ų | 199 | 134.6 Ų | 134.6 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | 75.6 | 131.6 | 167.3 | -58 | -71.3 | 0 | 0 | 0 | 116.8 | R1607 | R1607-Y1609 HydrophobicContact CB-CE2 4.16Å; R1607-Y1609 HydrophobicContact CG-CE2 4.22Å | ||
| 1610 | V | 34.6 | Very low | 31.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | cis | -146.2 | 133.6 | 2 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1611 | A | 37.7 | Very low | 31.5 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | 176.1 | 136.4 | 134.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1612 | R | 29.5 | Very low | 31.3 | Very low | 202 Ų | 202 | 128.8 Ų | 128.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | -114.9 | 162.8 | 174 | -105.7 | 177 | 170.5 | 175.5 | -5.4 | 107.7 | ||||
| 1613 | P | 35.3 | Very low | 31.2 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -153.3 | 127.5 | 46.3 | 37.5 | -14.3 | 0 | 0 | 0 | 118.6 | ||||
| 1614 | Q | 29.5 | Very low | 31 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -161.9 | 115.9 | 152.3 | -114.6 | 161.8 | 0.2 | 0 | 0 | 111.3 | ||||
| 1615 | Q | 28.4 | Very low | 31 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | trans | 179.7 | 158.7 | 179 | -111.9 | 168.8 | 2.9 | 0 | 0 | 107.1 | ||||
| 1616 | S | 29.7 | Very low | 30.7 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -167.6 | 167.2 | 13.9 | 45.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1617 | A | 28.6 | Very low | 30.5 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 95 | 104.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1618 | A | 27.3 | Very low | 30.2 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | 60.2 | 123 | 119.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1619 | S | 31.3 | Very low | 29.9 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 92% | 0.923 | 77% | 0.768 | S | S | * | * | trans | -144.1 | 159.8 | 142.4 | -65.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1620 | S | 28 | Very low | 29.7 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | -127.7 | 162.4 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1621 | S | 26 | Very low | 29.6 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | 58.8 | 113.9 | 157.7 | 55.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1622 | A | 26.6 | Very low | 29.3 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | 74.5 | 168.8 | 128.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1623 | E | 30.9 | Very low | 29.3 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 61.4 | 106.4 | 162.2 | -69.4 | -168.5 | -166.6 | 0 | 0 | 120.6 | ||||
| 1624 | L | 28 | Very low | 29.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 61% | 0.613 | 77% | 0.765 | S | S | * | * | 82.8 | 112.3 | 122.7 | -62.1 | -175.4 | 0 | 0 | 0 | 121 | |||||
| 1625 | F | 29.4 | Very low | 29.1 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | 78.3 | 127.3 | 135.7 | -61.3 | -43.6 | 0 | 0 | 0 | 121.5 | ||||
| 1626 | A | 26.1 | Very low | 29.2 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 58 | 114.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1627 | F | 30.4 | Very low | 29.2 | Very low | 204 Ų | 204 | 130 Ų | 130 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | 16.6 | 105.2 | 127.8 | -62.9 | -81.9 | 0 | 0 | 0 | 118.1 | |||||
| 1628 | K | 26.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | trans | 168.8 | 160.7 | 136.4 | -99.8 | 179.4 | 166.1 | -127 | 0 | 110 | ||||
| 1629 | D | 29.8 | Very low | 30 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 66% | 0.658 | 77% | 0.771 | S | S | * | * | cis | -119.7 | -177 | -8.1 | -78.6 | -67.5 | 0 | 0 | 0 | 107.7 | ||||
| 1630 | E | 31.1 | Very low | 30.1 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | cis | -155 | 154.8 | 28 | -123.1 | 160.4 | -141.1 | 0 | 0 | 106.5 | ||||
| 1631 | C | 31.9 | Very low | 30.7 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | cis | -158.9 | 154.9 | 7.4 | -155.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1632 | Q | 31.1 | Very low | 31 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | trans | 62.9 | 110 | 164.9 | -71.1 | 166.8 | -6.7 | 0 | 0 | 118.4 | ||||
| 1633 | E | 29.2 | Very low | 31.3 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 62 | 140.8 | 58.6 | -58.7 | 177.9 | 144.6 | 0 | 0 | 113.4 | |||||
| 1634 | E | 30.8 | Very low | 31.5 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | cis | -156.3 | 148.6 | 26.3 | -149.8 | -179.5 | -166.4 | 0 | 0 | 115.4 | ||||
| 1635 | A | 29.9 | Very low | 31.9 | Very low | 89 Ų | 89 | 137 Ų | 137 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | 50.5 | 131.9 | 147.6 | 0 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 1636 | A | 30.3 | Very low | 32.2 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | 87.5 | 126.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1637 | G | 30.6 | Very low | 32.8 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 162.6 | 82.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1638 | V | 32.2 | Very low | 32.9 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -91.1 | 161.9 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1639 | P | 39.6 | Very low | 33.2 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | cis | -137.1 | 164.4 | -19.8 | 37.7 | -19.3 | 0 | 0 | 0 | 118.6 | ||||
| 1640 | S | 32.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 54.6 | 171.9 | 138.8 | 80 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1641 | P | 41.8 | Very low | 33.3 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | cis | -136.6 | 170.5 | -6.2 | 44 | -27.8 | 0 | 0 | 0 | 118.3 | ||||
| 1642 | F | 32.3 | Very low | 33.2 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | 64.1 | 151.2 | 153.8 | -61.8 | -42.4 | 0 | 0 | 0 | 120.9 | ||||
| 1643 | L | 33.2 | Very low | 33.3 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | cis | -162.4 | 144.4 | -2.9 | -122.3 | 172.4 | 0 | 0 | 0 | 111.9 | ||||
| 1644 | S | 34.5 | Very low | 33.5 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 173.8 | 158.4 | 135.2 | -159.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1645 | L | 36.4 | Very low | 33.6 | Very low | 154 Ų | 154 | 119.9 Ų | 119.9 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -122 | 166.2 | 173.7 | -73.9 | 77.3 | 0 | 0 | 0 | 109.6 | ||||
| 1646 | G | 35 | Very low | 33.5 | Very low | 74 Ų | 74 | 119.3 Ų | 119.3 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | cis | 106.9 | 131.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1647 | A | 38.4 | Very low | 33.5 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | cis | -141.5 | -145.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1648 | T | 33.7 | Very low | 33.6 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | cis | -168.4 | 148.5 | 4.5 | -15.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1649 | V | 32.8 | Very low | 33.4 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | cis | 108.6 | 98.6 | 4.6 | -179 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1650 | N | 31.2 | Very low | 32.9 | Very low | 149 Ų | 149 | 125 Ų | 125 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 160.8 | 149.3 | -62.5 | 25.5 | 0 | 0 | 0 | 119.6 | ||||
| 1651 | S | 31.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | cis | -161 | -174.1 | -5.3 | -109.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1652 | D | 30.2 | Very low | 31.9 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -90.1 | 175.9 | -160.5 | -47.4 | -87.7 | 0 | 0 | 0 | 120.9 | ||||
| 1653 | S | 32.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 76.9 | 138.4 | 155.3 | -176.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1654 | D | 33.7 | Very low | 31.7 | Very low | 134 Ų | 134 | 123.5 Ų | 123.5 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | cis | -161 | 162.2 | -10.6 | -108.6 | -51.4 | 0 | 0 | 0 | 112.4 | ||||
| 1655 | V | 31.4 | Very low | 31.5 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 27.1 | 131.2 | 148.2 | -179.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1656 | A | 29.6 | Very low | 31.3 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -159.7 | 175 | 34.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1657 | D | 28.6 | Very low | 31.1 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | trans | 40.9 | 115.1 | 149 | -61.5 | -13.4 | 0 | 0 | 0 | 122.4 | ||||
| 1658 | T | 33.2 | Very low | 30.8 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | -176.6 | 153.9 | 106.8 | -69.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1659 | I | 28.4 | Very low | 30.7 | Very low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 73% | 0.734 | S | S | * | * | trans | -93.6 | 170.1 | -174.6 | -55.5 | 163.4 | 0 | 0 | 0 | 111.1 | ||||
| 1660 | V | 29.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 130 Ų | 130 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | trans | 92.1 | 99 | 172.1 | -169.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1661 | L | 28.3 | Very low | 30.2 | Very low | 134 Ų | 134 | 130 Ų | 130 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | 61.5 | 137.5 | 77.9 | -53.5 | 161.2 | 0 | 0 | 0 | 111.9 | |||||
| 1662 | D | 26.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 131.7 Ų | 131.7 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | cis | -166.4 | -178.8 | -4.6 | -110.8 | -9.3 | 0 | 0 | 0 | 109.2 | ||||
| 1663 | S | 29.9 | Very low | 30.2 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | trans | 74.7 | 125.1 | 162 | -74.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1664 | D | 30.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 72% | 0.723 | S | S | * | * | 83.2 | 155 | 73.3 | -56.1 | -47 | 0 | 0 | 0 | 112.1 | |||||
| 1665 | E | 29.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | cis | -143.4 | 157.8 | 17.2 | -55.1 | 174.6 | 98.1 | 0 | 0 | 112.3 | T1667 | E1665-T1667 HydrophobicContact CB-CG2 3.6Å; E1665-T1667 HydrophobicContact CG-CG2 4.24Å; E1665-T1667 WeakPolarHBondContact OE2-CG2 3.35Å | ||
| 1666 | E | 32.6 | Very low | 29.6 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 71% | 0.713 | S | S | * | * | -127 | 100.3 | 113.4 | -83.8 | -154.6 | 132.8 | 0 | 0 | 107 | |||||
| 1667 | T | 30.9 | Very low | 29.6 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 53% | 0.528 | 71% | 0.714 | S | S | . | * | 65.3 | 140.5 | 81.2 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | E1665 | E1665-T1667 HydrophobicContact CB-CG2 3.6Å; E1665-T1667 HydrophobicContact CG-CG2 4.24Å; E1665-T1667 WeakPolarHBondContact OE2-CG2 3.35Å | |||
| 1668 | A | 32 | Very low | 29.6 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 60% | 0.595 | 71% | 0.712 | S | S | * | * | cis | -156.2 | 151.5 | 5.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1669 | K | 31.2 | Very low | 29.5 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | trans | 76.4 | 106.7 | 135.9 | -72.8 | 165.4 | -176.3 | 157.7 | 0 | 122 | ||||
| 1670 | E | 25.8 | Very low | 29.5 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | 64.3 | 139.4 | 112.8 | -67.2 | -169.3 | 119.8 | 0 | 0 | 121.6 | |||||
| 1671 | K | 27.8 | Very low | 29.4 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 65% | 0.648 | 71% | 0.708 | S | S | * | * | trans | 61 | 113.5 | 154.1 | -60.3 | 149 | -168.3 | 151.8 | 0 | 114.7 | ||||
| 1672 | D | 36.3 | Very low | 29.9 | Very low | 139 Ų | 139 | 141.5 Ų | 141.5 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | cis | -148.7 | 137 | 49.4 | -92.4 | -46.5 | 0 | 0 | 0 | 110.9 | ||||
| 1673 | T | 26.4 | Very low | 30.1 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | 69.8 | 132.6 | 71.6 | 80 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1674 | Q | 25.6 | Very low | 30 | Very low | 179 Ų | 179 | 145 Ų | 145 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | trans | 72.8 | 154.5 | 168.5 | -61.7 | -156.8 | 12.6 | 0 | 0 | 119.1 | ||||
| 1675 | P | 33.3 | Very low | 30.1 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | cis | -141.3 | -178.3 | -48.6 | 40.7 | -24.8 | 0 | 0 | 0 | 113.8 | ||||
| 1676 | E | 26.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 66% | 0.659 | 72% | 0.721 | S | S | * | * | trans | 18.3 | 141.6 | 143.7 | -62.9 | -167.7 | -176.3 | 0 | 0 | 120.9 | ||||
| 1677 | Q | 29.4 | Very low | 29.8 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 67% | 0.673 | 72% | 0.718 | S | S | * | * | cis | -167.5 | 119.5 | 42.6 | -150.8 | 167 | 86.1 | 0 | 0 | 115.1 | ||||
| 1678 | R | 29.9 | Very low | 30.1 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | 49.4 | 151.9 | 142.5 | -55.5 | 179.6 | 173.5 | 144.1 | 1.6 | 120.4 | ||||
| 1679 | K | 30 | Very low | 30.1 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | cis | -147.5 | 165.4 | 21.1 | -79.2 | -176.8 | 151.4 | -84.6 | 0 | 108.9 | ||||
| 1680 | D | 29 | Very low | 30.1 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 57% | 0.567 | 73% | 0.727 | S | S | * | * | cis | -161.9 | 150.9 | -19.7 | -89.6 | -17.4 | 0 | 0 | 0 | 106.8 | ||||
| 1681 | W | 26.5 | Very low | 30.3 | Very low | 244 Ų | 244 | 147.2 Ų | 147.2 | 92% | 0.924 | 73% | 0.733 | S | S | * | * | trans | -106.7 | 160 | 157.6 | -82.7 | 68 | 0 | 0 | 0 | 106.8 | ||||
| 1682 | P | 39.6 | Very low | 30.6 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | cis | -154.4 | -177.1 | 45.2 | 45.8 | -25.6 | 0 | 0 | 0 | 118.4 | ||||
| 1683 | M | 29.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 145.8 Ų | 145.8 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | trans | 62.8 | 143.6 | 147.7 | -71.9 | 155.1 | 75.5 | 0 | 0 | 119.1 | ||||
| 1684 | E | 28.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -161.9 | 128.9 | -4.4 | -128.6 | 159.8 | -162.1 | 0 | 0 | 108.4 | ||||
| 1685 | E | 31.5 | Very low | 30.3 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -171.1 | 127.9 | 142.7 | -111.8 | 169.2 | -164.4 | 0 | 0 | 112.7 | ||||
| 1686 | E | 30.7 | Very low | 30 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | 21.4 | 108.5 | 158.1 | -54.8 | -167.7 | 166.4 | 0 | 0 | 122.8 | ||||
| 1687 | T | 26.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | trans | -135.7 | 171.9 | 139.1 | 53.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1688 | P | 37.2 | Very low | 30 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -130.7 | -176.3 | 4.4 | 42.8 | -26.7 | 0 | 0 | 0 | 115.3 | ||||
| 1689 | S | 31.3 | Very low | 30 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 121.3 | 70.3 | 172.1 | -163.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1690 | N | 32.5 | Very low | 29.9 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 56% | 0.561 | 76% | 0.763 | S | S | * | * | 48.5 | 134.7 | 52.9 | -55.4 | 73.7 | 0 | 0 | 0 | 111.8 | |||||
| 1691 | E | 29 | Very low | 29.9 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | cis | -164.9 | 160.5 | -18.8 | -119.3 | 163.6 | 149.4 | 0 | 0 | 104.3 | ||||
| 1692 | S | 33.4 | Very low | 30 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | -167.7 | 163.8 | 53.9 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1693 | V | 25.7 | Very low | 29.7 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | trans | -114.6 | 130.4 | 158 | 173.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1694 | A | 27.9 | Very low | 29.9 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | 169.3 | 141.9 | 140 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1695 | T | 29 | Very low | 29.9 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 55.7 | 112 | 141.9 | 55 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1696 | V | 28.3 | Very low | 29.7 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | 47.3 | 111.4 | 125.5 | -157.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1697 | E | 28.2 | Very low | 29.7 | Very low | 191 Ų | 191 | 136.9 Ų | 136.9 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | -169.9 | -176.5 | 108.5 | -101.2 | -163.8 | 163.1 | 0 | 0 | 111.9 | |||||
| 1698 | F | 27.2 | Very low | 29.8 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -104.4 | 171.6 | -158.6 | -114.3 | -99.7 | 0 | 0 | 0 | 115.9 | ||||
| 1699 | S | 28.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 78.3 | 97.9 | 156.7 | 63 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1700 | E | 28.2 | Very low | 29.4 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | trans | 32 | 131.2 | 134.8 | -64.5 | -166.1 | 96.6 | 0 | 0 | 122.6 | R509 | R509-E1700 IonicContact CZ-OE1 2.75Å; R509-E1700 VanDerWaalsContact CZ-OE1 3.28Å; R509-E1700 IonicContact CZ-OE2 2.67Å; R509-E1700 IonicContact NH1-OE1 2.66Å; R509-E1700 PolarHBondContact NH1-OE1 3.47Å; R509-E1700 IonicContact NH1-OE2 2.63Å; R509-E1700 IonicContact NH2-OE1 2.69Å; R509-E1700 PolarHBondContact NH2-OE1 2.79Å; R509-E1700 IonicContact NH2-OE2 2.67Å; R509-E1700 PolarHBondContact NH2-OE2 2.83Å | ||
| 1701 | Q | 28.6 | Very low | 29.3 | Very low | 174 Ų | 174 | 137.5 Ų | 137.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -145.9 | 123 | 134.1 | -110.8 | -178.8 | 51.3 | 0 | 0 | 114.1 | ||||
| 1702 | K | 29.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 49% | 0.487 | 75% | 0.748 | S | S | . | * | trans | 49.6 | 117.5 | 144.7 | -67 | 175.2 | 177.4 | 174.4 | 0 | 121.4 | ||||
| 1703 | Q | 33.5 | Very low | 29.3 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -73.6 | 166.6 | 139.7 | -67.7 | -177 | -34.3 | 0 | 0 | 110.5 | ||||
| 1704 | P | 32.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | -139 | 166.1 | 102.7 | 39.4 | -28.6 | 0 | 0 | 0 | 116.4 | |||||
| 1705 | R | 28 | Very low | 29.5 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | trans | -81.4 | 170.4 | 164.3 | -78.9 | 175.2 | 176 | 166 | -3.1 | 110.5 | ||||
| 1706 | A | 28.5 | Very low | 29.7 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 60% | 0.603 | 74% | 0.741 | S | S | * | * | cis | -169.9 | -155.6 | -20.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1707 | D | 29.5 | Very low | 30 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 74% | 0.74 | S | S | * | * | trans | 76 | 145.9 | 158.7 | -49.1 | -26.8 | 0 | 0 | 0 | 118.3 | ||||
| 1708 | M | 30.1 | Very low | 30.4 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | cis | -162 | 156.4 | -13.5 | -113.7 | 175.3 | 79.2 | 0 | 0 | 110.6 | ||||
| 1709 | D | 28.5 | Very low | 30.6 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | trans | 52.4 | 154.7 | 146.8 | -68.4 | 17.6 | 0 | 0 | 0 | 121.5 | ||||
| 1710 | I | 31.1 | Very low | 30.9 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | cis | -156.2 | 172.1 | -2.7 | -125.1 | 170.4 | 0 | 0 | 0 | 107 | ||||
| 1711 | G | 29.8 | Very low | 31.1 | Very low | 55 Ų | 55 | 134.8 Ų | 134.8 | 57% | 0.567 | 74% | 0.736 | S | S | * | * | cis | 158 | 166.4 | 1.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1712 | M | 31.4 | Very low | 31.2 | Very low | 170 Ų | 170 | 135.7 Ų | 135.7 | 84% | 0.837 | 74% | 0.74 | S | S | * | * | trans | 64.8 | 142.5 | -179.4 | -62.6 | -179.5 | 69 | 0 | 0 | 116.7 | ||||
| 1713 | E | 30.3 | Very low | 31.2 | Very low | 151 Ų | 151 | 137 Ų | 137 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -159.1 | 149.4 | -3.9 | -120.8 | -166.6 | 138.8 | 0 | 0 | 110.9 | ||||
| 1714 | V | 30.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | trans | 52.5 | 126.9 | 139.8 | 173.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1715 | D | 29.4 | Very low | 31 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | cis | -163.8 | 172.7 | 12.9 | -147.9 | -19.3 | 0 | 0 | 0 | 113.3 | ||||
| 1716 | A | 32.2 | Very low | 31.1 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 74.1 | 136.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1717 | V | 34 | Very low | 31.3 | Very low | 128 Ų | 128 | 138 Ų | 138 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -97.1 | 164.3 | -174.8 | -144.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1718 | P | 36.5 | Very low | 31.1 | Very low | 123 Ų | 123 | 140.4 Ų | 140.4 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | -150 | 169.5 | 99 | 39.5 | -22.2 | 0 | 0 | 0 | 117.2 | |||||
| 1719 | D | 33.2 | Very low | 31.2 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -81 | 168.6 | -167.2 | -47.2 | -87.7 | 0 | 0 | 0 | 119 | ||||
| 1720 | V | 35 | Very low | 31.2 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | 166.3 | 110.8 | 120.3 | 156.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1721 | L | 31.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | 73.7 | 114.5 | 62.1 | -83.4 | 171.3 | 0 | 0 | 0 | 116.8 | |||||
| 1722 | E | 30.7 | Very low | 31.3 | Very low | 194 Ų | 194 | 149.3 Ų | 149.3 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -172.1 | 95.1 | 131.5 | -112.8 | 176.7 | -165.8 | 0 | 0 | 113.1 | ||||
| 1723 | V | 30.4 | Very low | 31.2 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -138.4 | 147.5 | 148.6 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1724 | L | 31.2 | Very low | 31.1 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -93.5 | 115.3 | -169.8 | -72.1 | 160.8 | 0 | 0 | 0 | 112.6 | ||||
| 1725 | E | 29 | Very low | 31.2 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -109 | 153.4 | 158.8 | -69.9 | -171.6 | 134.6 | 0 | 0 | 110.5 | ||||
| 1726 | V | 30.4 | Very low | 31.1 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | -98.9 | 114.4 | 174 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1727 | P | 33.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 74% | 0.74 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 148.5 | -168.3 | 32.1 | -36.1 | 0 | 0 | 0 | 113.6 | ||
| 1728 | E | 26 | Very low | 30.6 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 158.2 | 162.3 | -58.3 | -177.5 | 121.4 | 0 | 0 | 111 | ||
| 1729 | M | 31.8 | Very low | 30.1 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 126.6 | 165.3 | -77.2 | -150.9 | -55.2 | 0 | 0 | 110.8 | ||
| 1730 | E | 29 | Very low | 30.1 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 157.7 | 172.5 | -84.7 | -166.9 | 130.4 | 0 | 0 | 113.8 | ||
| 1731 | P | 34.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 157.7 | -176 | 34.2 | -37 | 0 | 0 | 0 | 113.9 | ||
| 1732 | L | 26.9 | Very low | 29.9 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -133.2 | 155.8 | 163.7 | -79.6 | 178.9 | 0 | 0 | 0 | 110.3 | ||||
| 1733 | P | 29.4 | Very low | 29.8 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -95 | 153 | -133.4 | 34.1 | -38.1 | 0 | 0 | 0 | 115.7 | ||
| 1734 | V | 29.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 87% | 0.873 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 138.5 | 164.1 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1735 | L | 32 | Very low | 29.9 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 139.3 | 170.1 | -77.5 | 164.9 | 0 | 0 | 0 | 109.7 | ||
| 1736 | S | 26.7 | Very low | 30.1 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 160.8 | 154.5 | 74.8 | 0 | 0 | 0 | 0 | 109 | ||
| 1737 | D | 27 | Very low | 30.1 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -139.9 | 171.9 | 7.5 | -64.2 | -94.5 | 0 | 0 | 0 | 109 | ||||
| 1738 | V | 30.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | 164.6 | 119.4 | 124.3 | 156.1 | 0 | 0 | 0 | 0 | 110.5 | I1740 | V1738-I1740 HydrophobicContact CG1-CD1 4.35Å; V1738-I1740 HydrophobicContact CG1-CG1 3.95Å | |||
| 1739 | D | 24.7 | Very low | 30.5 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | trans | -71.7 | 135.9 | 170.6 | -40.6 | -84.8 | 0 | 0 | 0 | 111.6 | ||||
| 1740 | I | 33.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 67% | 0.672 | 75% | 0.75 | S | S | * | * | trans | -140.3 | 96.6 | 162.7 | -54.8 | -177.3 | 0 | 0 | 0 | 110.4 | V1738 M1742 | V1738-I1740 HydrophobicContact CG1-CD1 4.35Å; V1738-I1740 HydrophobicContact CG1-CG1 3.95Å; I1740-M1742 HydrophobicContact CG2-CG 4.22Å | ||
| 1741 | E | 27.4 | Very low | 30.2 | Very low | 83 Ų | 83 | 131 Ų | 131 | 39% | 0.388 | 74% | 0.743 | S | S | . | * | trans | -65.4 | 130 | 150.8 | -99.1 | -176.1 | -157.2 | 0 | 0 | 110.3 | L1949 S1950 V1951 | E1741-L1949 WeakPolarHBondContact OE2-CD2 3.27Å; E1741-S1950 WeakPolarHBondContact CB-OG 3.29Å; E1741-S1950 VanDerWaalsContact CG-OG 3.25Å; E1741-S1950 WeakPolarHBondContact CG-OG 3.09Å; E1741-S1950 WeakPolarHBondContact OE1-CA 3.02Å; E1741-V1951 HydrophobicContact CB-CG1 4.34Å; E1741-V1951 HydrophobicContact CG-CB 3.65Å; E1741-V1951 HydrophobicContact CG-CG1 3.4Å; E1741-V1951 PolarHBondContact OE1-N 3.39Å | ||
| 1742 | M | 34.1 | Very low | 29.7 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 84% | 0.837 | 74% | 0.739 | S | S | * | * | trans | -134.7 | 98.8 | 148.3 | -81.7 | -164.4 | 62.2 | 0 | 0 | 110.9 | I1740 | I1740-M1742 HydrophobicContact CG2-CG 4.22Š| ||
| 1743 | A | 30.4 | Very low | 29.9 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | trans | -70.2 | 159.7 | 138.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1744 | V | 31.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | cis | -135.9 | 177.6 | 16.2 | -133.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1745 | D | 30.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | -172.8 | -175.4 | 55.9 | -131.6 | -39.5 | 0 | 0 | 0 | 112.6 | |||||
| 1746 | E | 33.5 | Very low | 29.5 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | 77.7 | 72.4 | 168.5 | -53.7 | -152.2 | 151.1 | 0 | 0 | 119.8 | ||||
| 1747 | V | 31.3 | Very low | 29.8 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | 42.5 | 123.1 | 114.3 | -177.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 1748 | P | 36.5 | Very low | 29.7 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | trans | -85.6 | 164.6 | 163.5 | 37.5 | -34.8 | 0 | 0 | 0 | 112.5 | ||||
| 1749 | N | 30 | Very low | 29.6 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | trans | -148.8 | 158.6 | 163 | -154.2 | 5.6 | 0 | 0 | 0 | 112.8 | ||||
| 1750 | V | 27.1 | Very low | 29.8 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | trans | -137.3 | 150.3 | -174.5 | 168.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1751 | L | 28.2 | Very low | 29.7 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 66.6 | 163.5 | 178.4 | -112 | 70 | 0 | 0 | 0 | 113 | ||||
| 1752 | E | 24.4 | Very low | 29.7 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 66% | 0.659 | 77% | 0.773 | S | S | * | * | cis | -155.4 | 140.5 | 1.3 | -172 | 172 | -123.9 | 0 | 0 | 109.6 | ||||
| 1753 | V | 29.5 | Very low | 30.1 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -145.1 | 89.6 | 152.9 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1754 | L | 30.1 | Very low | 30 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | 34 | 148.4 | 129.2 | -62 | 172.6 | 0 | 0 | 0 | 122.7 | |||||
| 1755 | E | 24.6 | Very low | 29.9 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -68.6 | 155.6 | -178.1 | -53.1 | 164 | 117.9 | 0 | 0 | 115 | ||||
| 1756 | V | 29.1 | Very low | 29.8 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -133.9 | 131 | 151.6 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1757 | P | 33.1 | Very low | 29.6 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | trans | -91.8 | 172.4 | -168 | 37.1 | -38.3 | 0 | 0 | 0 | 114.7 | ||||
| 1758 | E | 24.6 | Very low | 29.5 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | 36.2 | 114.2 | 156.2 | -65 | -174.1 | 129.5 | 0 | 0 | 119.4 | ||||
| 1759 | L | 28.4 | Very low | 29.3 | Very low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | 171.3 | 136.7 | 110.8 | -91.7 | 165.5 | 0 | 0 | 0 | 112.7 | |||||
| 1760 | E | 28.5 | Very low | 29.5 | Very low | 162 Ų | 162 | 134 Ų | 134 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -71.7 | 146.7 | 148.7 | -112 | -173.7 | -167.1 | 0 | 0 | 108.3 | ||||
| 1761 | P | 31.7 | Very low | 29.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -152.1 | 169.7 | 75.8 | 41.6 | -23 | 0 | 0 | 0 | 118.3 | |||||
| 1762 | L | 25.8 | Very low | 29.7 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | trans | -69.2 | -174.7 | 159.7 | -63.4 | 168 | 0 | 0 | 0 | 111.6 | ||||
| 1763 | P | 42.8 | Very low | 30.1 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -140.2 | -151.9 | -61.4 | 43.5 | -26.7 | 0 | 0 | 0 | 111.8 | |||||
| 1764 | A | 28.5 | Very low | 30 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 76.5 | 154.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1765 | G | 29.9 | Very low | 29.9 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | cis | 142.1 | -163.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1766 | Q | 28.5 | Very low | 30.1 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 78% | 0.776 | S | S | * | * | trans | 69.2 | 170.4 | 170.6 | -43.3 | -174.6 | -5.6 | 0 | 0 | 115.1 | ||||
| 1767 | A | 28.8 | Very low | 30.4 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | cis | -153.3 | 176.2 | 6.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1768 | T | 29.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | cis | -174.3 | 131 | -46.3 | -77.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1769 | Q | 31.8 | Very low | 30.2 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -166.9 | 146.4 | 167.2 | -108.2 | 151.1 | 81 | 0 | 0 | 110.3 | ||||
| 1770 | S | 35.5 | Very low | 30.1 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -152.9 | 163.3 | 7.9 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1771 | S | 32.6 | Very low | 30 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -7.2 | 155.1 | 163.6 | 52.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1772 | G | 26.7 | Very low | 29.8 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | 140 | 143.7 | -4.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1773 | L | 31.8 | Very low | 29.9 | Very low | 183 Ų | 183 | 125.8 Ų | 125.8 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | trans | 72 | 139 | 178.8 | -64.4 | 165.9 | 0 | 0 | 0 | 117.3 | ||||
| 1774 | G | 27.8 | Very low | 29.1 | Very low | 60 Ų | 60 | 129.3 Ų | 129.3 | 62% | 0.619 | 77% | 0.768 | S | S | * | * | cis | -163.5 | -171.5 | 1.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1775 | E | 28.7 | Very low | 29.2 | Very low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | 69.3 | 111.2 | -174.8 | -60.8 | -176.7 | 172.2 | 0 | 0 | 115.4 | ||||
| 1776 | I | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | cis | 86.2 | 128.2 | 15.8 | -51.5 | 175 | 0 | 0 | 0 | 113.7 | ||||
| 1777 | P | 35.8 | Very low | 29.4 | Very low | 94 Ų | 94 | 134 Ų | 134 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | cis | -146.8 | -179.5 | -16 | 43.8 | -24.7 | 0 | 0 | 0 | 118.7 | ||||
| 1778 | E | 27.4 | Very low | 29.5 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | 61.8 | 143.2 | 132.4 | -75.9 | 149 | -151.1 | 0 | 0 | 127.9 | ||||
| 1779 | E | 26.3 | Very low | 29.6 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 66.6 | 123.3 | 138.6 | -72.8 | -176.2 | 175.6 | 0 | 0 | 126 | ||||
| 1780 | D | 24.6 | Very low | 29.5 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 49 | 131.2 | 127.2 | -77.5 | 16.4 | 0 | 0 | 0 | 125.9 | |||||
| 1781 | V | 26.7 | Very low | 29.2 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | 79.4 | 153.8 | 140.7 | 171.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1782 | D | 28.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | 64.5 | 163.9 | 176.6 | -69.9 | -21.1 | 0 | 0 | 0 | 117.7 | ||||
| 1783 | A | 26.9 | Very low | 28.9 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | cis | -166.5 | -177.5 | -38.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1784 | E | 27 | Very low | 28.8 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | trans | -45.5 | 138.7 | -172.8 | -53.8 | 179.3 | 127.3 | 0 | 0 | 119.1 | ||||
| 1785 | A | 31.1 | Very low | 28.9 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | trans | 68.4 | 166 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1786 | E | 32.6 | Very low | 29.3 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | cis | -130.8 | -170.1 | 10.2 | -79.6 | -170.8 | 137.2 | 0 | 0 | 113.7 | ||||
| 1787 | E | 28.6 | Very low | 29.4 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | trans | -35.6 | 157 | 174 | -58.9 | -159.3 | 98.1 | 0 | 0 | 118.4 | ||||
| 1788 | Q | 31.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 59% | 0.589 | 73% | 0.726 | S | S | * | * | cis | -153.5 | -168.7 | 1.4 | -126.8 | -175.3 | 61.6 | 0 | 0 | 107.3 | V1790 | Q1788-V1790 HydrophobicContact CG-CG2 4.05Å; Q1788-V1790 VanDerWaalsContact OE1-CG2 3.3Å | ||
| 1789 | V | 30.6 | Very low | 29.2 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -144.8 | 138.8 | 17.8 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | ||
| 1790 | V | 30.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 61% | 0.606 | 71% | 0.714 | S | S | * | * | S | Bend | cis | -140.5 | 113.2 | -21.1 | 133.3 | 0 | 0 | 0 | 0 | 107.2 | Q1788 | Q1788-V1790 HydrophobicContact CG-CG2 4.05Å; Q1788-V1790 VanDerWaalsContact OE1-CG2 3.3Å |
| 1791 | V | 28.1 | Very low | 30 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | trans | 54.1 | 139.9 | 140.6 | -173 | 0 | 0 | 0 | 0 | 122 | ||||
| 1792 | K | 24.3 | Very low | 30.4 | Very low | 188 Ų | 188 | 136 Ų | 136 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | cis | -170.2 | 112 | -34.1 | -158 | 170.6 | -176 | 177.1 | 0 | 112.4 | ||||
| 1793 | V | 30.7 | Very low | 30.5 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | trans | 25.9 | 134.4 | 141.7 | -149 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1794 | E | 29.7 | Very low | 30.6 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | trans | 106.4 | -177 | 133.6 | -109.2 | 169.6 | -133.2 | 0 | 0 | 127.2 | ||||
| 1795 | H | 29.8 | Very low | 30.7 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -125.2 | 139.9 | -142.3 | -109.8 | -106.1 | 0 | 0 | 0 | 116.6 | ||||
| 1796 | V | 36.2 | Very low | 30.5 | Very low | 119 Ų | 119 | 137 Ų | 137 | 72% | 0.721 | 71% | 0.712 | S | S | * | * | 44.5 | 128.4 | 129.5 | -179.2 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1797 | A | 30.7 | Very low | 30.3 | Very low | 32 Ų | 32 | 133.3 Ų | 133.3 | 26% | 0.264 | 70% | 0.702 | S | S | . | * | B | Isolated β-bridge | 170 | 101 | 116.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | V1913 S1914 | A1797-V1913 WeakPolarHBondContact O-CA 3.47Å; A1797-V1913 WeakPolarHBondContact O-CG2 3.14Å; A1797-S1914 VanDerWaalsContact O-CA 3.29Å; A1797-S1914 WeakPolarHBondContact O-CA 3.17Å; A1797-S1914 VanDerWaalsContact O-CB 3.31Å; A1797-S1914 WeakPolarHBondContact O-CB 3.4Å; A1797-S1914 PolarHBondContact O-OG 3.48Å | |
| 1798 | D | 30.6 | Very low | 30.2 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 48% | 0.481 | 70% | 0.699 | S | S | . | * | trans | 71.8 | 141.5 | 152 | -73.3 | -29 | 0 | 0 | 0 | 126.9 | V1913 S1914 T1915 | D1798-V1913 CarbonylContact O-C 3.47Å; D1798-V1913 WeakPolarHBondContact O-CA 3.39Å; D1798-V1913 PolarHBondContact O-N 2.8Å; D1798-S1914 WeakPolarHBondContact O-CA 3.18Å; D1798-S1914 PolarHBondContact O-N 3.45Å; D1798-T1915 HydrophobicContact CB-CG2 4.32Å | ||
| 1799 | E | 29 | Very low | 30.1 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | trans | 50.1 | 122.1 | 152.5 | -61.9 | -144.2 | 103.3 | 0 | 0 | 127.2 | ||||
| 1800 | Q | 31.5 | Very low | 29.9 | Very low | 161 Ų | 161 | 133 Ų | 133 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | 53.8 | 161.7 | 127.9 | -68.8 | -159.3 | 61.7 | 0 | 0 | 124.3 | |||||
| 1801 | P | 36.5 | Very low | 30 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | cis | -132.8 | -161.2 | -27.3 | 36.1 | -15.5 | 0 | 0 | 0 | 113.7 | ||||
| 1802 | K | 34.2 | Very low | 30.3 | Very low | 208 Ų | 208 | 135 Ų | 135 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | trans | -67.5 | 140.9 | -173.8 | -53.5 | 170.9 | -178.2 | 174.7 | 0 | 115.9 | ||||
| 1803 | E | 31.3 | Very low | 30.7 | Very low | 200 Ų | 200 | 130.2 Ų | 130.2 | 94% | 0.935 | 70% | 0.7 | S | S | * | * | -151.1 | 173.1 | 128 | -156.1 | 154.4 | -137.1 | 0 | 0 | 109.5 | |||||
| 1804 | G | 29 | Very low | 30.9 | Very low | 69 Ų | 69 | 132.2 Ų | 132.2 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -106.4 | -156.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1805 | D | 28.1 | Very low | 31 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | cis | -162 | 154.3 | -3.4 | -172.4 | 16.5 | 0 | 0 | 0 | 109.5 | ||||
| 1806 | K | 27.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 67% | 0.665 | 70% | 0.696 | S | S | * | * | trans | 62 | 158.5 | 156.8 | -91.1 | 168.6 | -161.2 | 68.6 | 0 | 123.1 | ||||
| 1807 | T | 28.5 | Very low | 30.8 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | trans | 62.9 | 108.5 | 157.3 | 42.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1808 | E | 26 | Very low | 30.9 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | 67.3 | 132.8 | 80.5 | -70.6 | -168.1 | 115.8 | 0 | 0 | 112.1 | K1810 | E1808-K1810 WeakPolarHBondContact OE1-CE 3.45Å; E1808-K1810 IonicContact OE1-NZ 2.74Å; E1808-K1810 PolarHBondContact OE1-NZ 3.1Å | |||
| 1809 | S | 29.1 | Very low | 31 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | cis | -129.8 | 154.7 | 28.9 | 22.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1810 | K | 27.6 | Very low | 30.8 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | 42.1 | 127 | 80 | -53.9 | 163.6 | 176.8 | 158.1 | 0 | 110.5 | E1808 | E1808-K1810 WeakPolarHBondContact OE1-CE 3.45Å; E1808-K1810 IonicContact OE1-NZ 2.74Å; E1808-K1810 PolarHBondContact OE1-NZ 3.1Å | |||
| 1811 | E | 31.1 | Very low | 31 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | -169.3 | 178.5 | 74.6 | -85.8 | -179.2 | 156.5 | 0 | 0 | 108.5 | |||||
| 1812 | A | 33.9 | Very low | 30.7 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | cis | -176.5 | -151.1 | -36.4 | 0 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 1813 | S | 32.8 | Very low | 30.5 | Very low | 89 Ų | 89 | 136.3 Ų | 136.3 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | cis | -148.3 | 161.9 | -13.4 | 34 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1814 | E | 35.1 | Very low | 30.4 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 72% | 0.723 | S | S | * | * | 164.8 | 140.6 | 90.7 | -107 | 145.3 | -135.2 | 0 | 0 | 104 | |||||
| 1815 | E | 33.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | cis | -142.8 | 134.1 | 11.9 | -91.4 | 167.7 | 156.6 | 0 | 0 | 108 | ||||
| 1816 | E | 32.1 | Very low | 31.2 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | 87.7 | 146.7 | 107.9 | -75.7 | -139.1 | 117.8 | 0 | 0 | 117.8 | |||||
| 1817 | T | 29.1 | Very low | 31 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | cis | -164.1 | 166.1 | -34.4 | 9.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1818 | Q | 32.2 | Very low | 31 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | trans | 78.8 | 122.3 | 142.1 | -78.4 | 175.3 | 40.6 | 0 | 0 | 125.4 | ||||
| 1819 | H | 32.4 | Very low | 31.3 | Very low | 174 Ų | 174 | 144.6 Ų | 144.6 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | 79 | 127.2 | 126.8 | -88.2 | -58.4 | 0 | 0 | 0 | 126.7 | |||||
| 1820 | N | 25.7 | Very low | 31.5 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -60.2 | 163.5 | 142.3 | -81.7 | -18.8 | 0 | 0 | 0 | 111.9 | ||||
| 1821 | P | 34.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | cis | -138.7 | -156.2 | 17.9 | 34.3 | -9.7 | 0 | 0 | 0 | 114.4 | ||||
| 1822 | E | 29.7 | Very low | 31.8 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -37.9 | 163.5 | 146.7 | -103.3 | -176.6 | 125.1 | 0 | 0 | 114.6 | ||||
| 1823 | P | 30 | Very low | 31.4 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 63% | 0.63 | 75% | 0.749 | S | S | * | * | cis | -140 | -159.4 | 7.6 | 35.6 | -12 | 0 | 0 | 0 | 114.4 | ||||
| 1824 | L | 29.8 | Very low | 31.2 | Very low | 160 Ų | 160 | 147 Ų | 147 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | 71.3 | 120.9 | 154.9 | -67.4 | 169.4 | 0 | 0 | 0 | 120.2 | ||||
| 1825 | L | 37 | Very low | 30.8 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | -74.7 | 157.5 | 146.9 | -67.5 | 166.9 | 0 | 0 | 0 | 109.8 | ||||
| 1826 | P | 36.5 | Very low | 30.5 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | -114.6 | 132.1 | 107.2 | 32.4 | -33.3 | 0 | 0 | 0 | 110.5 | |||||
| 1827 | E | 24.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | 92.1 | 145.2 | 53.5 | -77.9 | -169.2 | 141.8 | 0 | 0 | 113.3 | |||||
| 1828 | E | 29 | Very low | 29.9 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | 66.2 | 130.1 | 177.1 | -51.7 | -172.5 | 155.6 | 0 | 0 | 116.8 | ||||
| 1829 | E | 32.3 | Very low | 29.6 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -128.2 | 172.4 | -18 | -60.8 | -172.7 | 101.4 | 0 | 0 | 107.1 | ||
| 1830 | D | 33.2 | Very low | 29.4 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 67% | 0.674 | 75% | 0.753 | S | S | * | * | cis | -139.2 | 124.1 | 4.3 | -173.6 | 34.5 | 0 | 0 | 0 | 104.5 | ||||
| 1831 | S | 31.9 | Very low | 29.6 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 52% | 0.524 | 75% | 0.752 | S | S | . | * | 49.9 | 135 | 82.3 | 129.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1832 | R | 31.6 | Very low | 29.3 | Very low | 221 Ų | 221 | 144.8 Ų | 144.8 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | cis | -128.7 | 137.6 | 5.7 | -54 | 179 | -178.2 | 160.6 | 1.5 | 108.3 | ||||
| 1833 | H | 26.4 | Very low | 29.3 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | cis | 65.7 | 131.5 | 46.9 | -132.3 | -56 | 0 | 0 | 0 | 114.4 | ||||
| 1834 | S | 28.1 | Very low | 29.2 | Very low | 80 Ų | 80 | 149.1 Ų | 149.1 | 56% | 0.559 | 78% | 0.775 | S | S | * | * | trans | 85.7 | 112.9 | 149.4 | -67 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1835 | L | 26.1 | Very low | 29.1 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | 71.3 | 141.7 | 121.8 | -59 | 174.4 | 0 | 0 | 0 | 117.3 | |||||
| 1836 | K | 27.4 | Very low | 28.7 | Very low | 166 Ų | 166 | 152.1 Ų | 152.1 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | -159.9 | 163.7 | 23.5 | -137.3 | 169.1 | 179.4 | -178 | 0 | 109.4 | ||||
| 1837 | L | 25 | Very low | 28.2 | Very low | 137 Ų | 137 | 154.3 Ų | 154.3 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | 31.9 | 124.4 | 146.6 | -68.1 | 162.9 | 0 | 0 | 0 | 117.5 | ||||
| 1838 | I | 25 | Very low | 28.3 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | -171.2 | 157.4 | 55.1 | -123.9 | 152.4 | 0 | 0 | 0 | 112.5 | |||||
| 1839 | F | 25.7 | Very low | 28.2 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 17.8 | 129.5 | 166.5 | -63.8 | -68.4 | 0 | 0 | 0 | 124.9 | ||||
| 1840 | S | 27.2 | Very low | 28 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 55.3 | 143.1 | 130.8 | 68.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1841 | G | 29.2 | Very low | 28 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 139 | 114.1 | 140.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1842 | D | 28.9 | Very low | 27.9 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -73.5 | 176.6 | 177.4 | -55.1 | -78.4 | 0 | 0 | 0 | 113.6 | ||||
| 1843 | E | 30.4 | Very low | 27.7 | Very low | 189 Ų | 189 | 150 Ų | 150 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -85.1 | 132.3 | 169.3 | -65.1 | 179.9 | 141.6 | 0 | 0 | 110.9 | ||||
| 1844 | D | 27.9 | Very low | 27.8 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | -161.5 | 163.4 | 152 | -98.7 | -34.5 | 0 | 0 | 0 | 107.9 | ||||
| 1845 | E | 27.7 | Very low | 27.8 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -84.7 | 133.5 | -173.1 | -59.9 | -171 | 138.6 | 0 | 0 | 113.9 | ||||
| 1846 | E | 27.8 | Very low | 28.1 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -172.1 | 167.1 | 132.3 | -106.9 | 172.6 | -175 | 0 | 0 | 114 | ||||
| 1847 | E | 27.3 | Very low | 28.4 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -18.5 | 133.8 | -176.8 | -56.2 | -167.4 | 128.5 | 0 | 0 | 121.2 | ||||
| 1848 | Q | 25.4 | Very low | 28.5 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | 46.5 | 127.7 | 91 | -60.6 | 178.1 | 60.8 | 0 | 0 | 113.9 | |||||
| 1849 | D | 26.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | cis | -156.9 | 139.9 | 43.2 | -126.5 | 9.7 | 0 | 0 | 0 | 110.2 | ||||
| 1850 | V | 28.4 | Very low | 29.1 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | 79.6 | 138.3 | 84.8 | 159.1 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1851 | P | 33.5 | Very low | 29.2 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | -136 | -155.3 | -71.7 | 34.6 | -10.7 | 0 | 0 | 0 | 113.1 | |||||
| 1852 | T | 29.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 160.9 Ų | 160.9 | 63% | 0.632 | 79% | 0.789 | S | S | * | * | trans | 103.8 | 95.1 | 147.4 | -38 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1853 | R | 28.1 | Very low | 29.1 | Very low | 244 Ų | 244 | 157.1 Ų | 157.1 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | 62.9 | 155.2 | 142.2 | -60.4 | 176.9 | 171.9 | 162.1 | -2.2 | 117.8 | ||||
| 1854 | A | 28 | Very low | 29 | Very low | 76 Ų | 76 | 157.5 Ų | 157.5 | 63% | 0.628 | 78% | 0.776 | S | S | * | * | cis | -154.7 | 156.6 | 18.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1855 | I | 29.1 | Very low | 29.1 | Very low | 142 Ų | 142 | 154.9 Ų | 154.9 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | 59.1 | 104 | 150 | -49.7 | 153.4 | 0 | 0 | 0 | 118.3 | ||||
| 1856 | H | 32.3 | Very low | 29.1 | Very low | 168 Ų | 168 | 154.4 Ų | 154.4 | 78% | 0.778 | 76% | 0.764 | S | S | * | * | -172 | 151.9 | 107.7 | -101.1 | -71.5 | 0 | 0 | 0 | 112.2 | |||||
| 1857 | T | 32.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 154 Ų | 154 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | 36.9 | 93 | 160.8 | 52.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1858 | L | 27.7 | Very low | 29.3 | Very low | 166 Ų | 166 | 154.6 Ų | 154.6 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | cis | 61.5 | 106.4 | 47.3 | -60.6 | 173 | 0 | 0 | 0 | 116.9 | ||||
| 1859 | R | 31 | Very low | 29.6 | Very low | 243 Ų | 243 | 153.6 Ų | 153.6 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | 172.9 | 163.7 | 119 | -95.4 | -172.3 | 175.6 | -165.4 | 0.2 | 112.7 | |||||
| 1860 | P | 33.4 | Very low | 29.7 | Very low | 99 Ų | 99 | 153 Ų | 153 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | -149.5 | 146.7 | -72.7 | 37.6 | -15.5 | 0 | 0 | 0 | 118.4 | |||||
| 1861 | R | 28.5 | Very low | 30.3 | Very low | 216 Ų | 216 | 152.8 Ų | 152.8 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | trans | 60.6 | 170 | 141.1 | -66.6 | -178.9 | 172.4 | -176 | -2.2 | 118.6 | ||||
| 1862 | R | 29.1 | Very low | 30.1 | Very low | 207 Ų | 207 | 158.4 Ų | 158.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | cis | -155.6 | 167.9 | -31.3 | -113 | -178.9 | 177.5 | -177.1 | -3.4 | 108.2 | ||||
| 1863 | S | 26.5 | Very low | 30.2 | Very low | 92 Ų | 92 | 159.2 Ų | 159.2 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -46.4 | 140.4 | 167.3 | 52.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1864 | F | 28.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -170.7 | -169.1 | 117.4 | -106.7 | -70.9 | 0 | 0 | 0 | 110.9 | |||||
| 1865 | T | 29.4 | Very low | 30.4 | Very low | 118 Ų | 118 | 162.4 Ų | 162.4 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -109.5 | 167.5 | -158 | 44.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1866 | E | 28.6 | Very low | 30.6 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | 94.4 | 129.6 | 162.1 | -54.8 | -163.9 | 140.5 | 0 | 0 | 121.1 | ||||
| 1867 | H | 29 | Very low | 30.4 | Very low | 176 Ų | 176 | 163.1 Ų | 163.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | 44.2 | 137.2 | 154.8 | -73.7 | -59 | 0 | 0 | 0 | 126.8 | ||||
| 1868 | Q | 29.4 | Very low | 30.2 | Very low | 174 Ų | 174 | 167.1 Ų | 167.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 88.8 | 131.4 | 149.3 | -80.4 | 178.1 | -15.4 | 0 | 0 | 122.7 | ||||
| 1869 | D | 31.5 | Very low | 30.2 | Very low | 151 Ų | 151 | 165 Ų | 165 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | 68.7 | 168.1 | 154.7 | -61 | -2.5 | 0 | 0 | 0 | 123 | ||||
| 1870 | S | 29.6 | Very low | 30 | Very low | 116 Ų | 116 | 158.3 Ų | 158.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -116.2 | 174.8 | -152.8 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1871 | P | 39.8 | Very low | 29.8 | Very low | 114 Ų | 114 | 161.4 Ų | 161.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | cis | -142.1 | 178.8 | 14.9 | 43.2 | -24.1 | 0 | 0 | 0 | 118.9 | ||||
| 1872 | R | 30.6 | Very low | 29.8 | Very low | 227 Ų | 227 | 157.4 Ų | 157.4 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 68.5 | 107.5 | 154.4 | -86.6 | -173.4 | 176 | 179.4 | -0.8 | 121.7 | ||||
| 1873 | T | 31.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 152.4 Ų | 152.4 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | 57.2 | 129.7 | 129 | 57.4 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1874 | L | 31 | Very low | 30 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | S | Bend | cis | -141.2 | 171.5 | 6.5 | -59.9 | 173.4 | 0 | 0 | 0 | 108.5 | ||
| 1875 | R | 29.4 | Very low | 30.1 | Very low | 243 Ų | 243 | 152.9 Ų | 152.9 | 92% | 0.917 | 75% | 0.749 | S | S | * | * | S | Bend | cis | -126.1 | 119.7 | 7.3 | -70.4 | 175.1 | 169.5 | 166.7 | -4.3 | 109.7 | ||
| 1876 | P | 32.8 | Very low | 30 | Very low | 116 Ų | 116 | 152.4 Ų | 152.4 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -115 | -176.7 | -173 | 41.3 | -33.8 | 0 | 0 | 0 | 114.3 | ||||
| 1877 | R | 28.6 | Very low | 30.5 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | 170.8 | 118 | -40.9 | -175.4 | -177.3 | -169.2 | -168.9 | 5.1 | 108.7 | ||||
| 1878 | R | 28.5 | Very low | 30.4 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | 61.4 | 129.5 | 154.7 | -77 | -170.5 | 172.7 | -174.2 | -4.1 | 122.5 | ||||
| 1879 | V | 27.3 | Very low | 30.8 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | 65.8 | 111.9 | 120 | -178 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1880 | S | 26.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 55.1 | 131 | 134.9 | -49.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1881 | Q | 29.2 | Very low | 31.1 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 74% | 0.743 | S | S | * | * | trans | 97.8 | 119.5 | 132.6 | -151.1 | 157.1 | -5.6 | 0 | 0 | 120.2 | ||||
| 1882 | E | 28.8 | Very low | 30.6 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | trans | 67.9 | 110.6 | 148.8 | -77.5 | 175.3 | -126.1 | 0 | 0 | 123.7 | ||||
| 1883 | H | 29.9 | Very low | 30.6 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 47% | 0.472 | 74% | 0.742 | S | S | . | * | 96.1 | 135.3 | 120.9 | -99.6 | -56.1 | 0 | 0 | 0 | 123.5 | P1504 M1505 | P1504-H1883 WeakPolarHBondContact CG-CE1 3.22Å; P1504-H1883 PolarHBondContact O-CE1 2.92Å; P1504-H1883 PolarHBondContact O-NE2 3.23Å; M1505-H1883 WeakPolarHBondContact CB-CE1 3.27Å; M1505-H1883 PolarHBondContact O-CE1 2.76Å; M1505-H1883 VanDerWaalsContact O-CE1 3.23Å; M1505-H1883 PolarHBondContact O-NE2 2.85Å | |||
| 1884 | R | 30.5 | Very low | 30.5 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | trans | 78.6 | 107.3 | 156.9 | -68.8 | -161.3 | 165.9 | 140.1 | 8 | 122.8 | ||||
| 1885 | D | 29.1 | Very low | 30.4 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 57% | 0.572 | 73% | 0.733 | S | S | * | * | 76 | 92.2 | 117.8 | -52.4 | -14.3 | 0 | 0 | 0 | 119.7 | |||||
| 1886 | S | 28.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | 28.3 | 141 | 121.5 | 46.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1887 | P | 38.1 | Very low | 30.2 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | cis | -143.1 | 177.6 | 44.3 | 40.6 | -21.1 | 0 | 0 | 0 | 118.5 | ||||
| 1888 | T | 28.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -61.4 | 176.6 | 163.8 | 26 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1889 | P | 36.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | cis | -137.1 | -163.8 | -3.6 | 22.2 | 4.8 | 0 | 0 | 0 | 114.9 | ||||
| 1890 | V | 32.8 | Very low | 30.9 | Very low | 132 Ų | 132 | 125 Ų | 125 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | trans | 94 | 129.5 | 152.1 | -169.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1891 | A | 35 | Very low | 31.2 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 70% | 0.696 | S | S | * | * | trans | 48 | 132.7 | 161 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1892 | G | 30.1 | Very low | 31.2 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | cis | 121.9 | 100.8 | -13.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1893 | R | 30.5 | Very low | 31.6 | Very low | 232 Ų | 232 | 120 Ų | 120 | 88% | 0.875 | 69% | 0.691 | S | S | * | * | trans | 65.6 | 165.5 | 163.3 | -68.4 | -177.4 | 165.6 | 179.4 | -3.9 | 115.4 | ||||
| 1894 | T | 29.3 | Very low | 31.5 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | cis | -153.3 | 144.8 | 11 | -14.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1895 | M | 28.1 | Very low | 31.4 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | trans | 36.9 | 122.4 | 136 | -67.9 | -176.2 | -154.9 | 0 | 0 | 121.1 | L1897 | M1895-L1897 HydrophobicContact CB-CD1 4.34Å; M1895-L1897 HydrophobicContact CB-CG 4.39Å | ||
| 1896 | S | 27.7 | Very low | 31.2 | Very low | 112 Ų | 112 | 118.2 Ų | 118.2 | 78% | 0.783 | 71% | 0.711 | S | S | * | * | 73.1 | -166.2 | 74.9 | -170.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1897 | L | 29.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | 78.9 | 149.5 | 167.7 | -50 | 172.1 | 0 | 0 | 0 | 114.4 | M1895 | M1895-L1897 HydrophobicContact CB-CD1 4.34Å; M1895-L1897 HydrophobicContact CB-CG 4.39Å | ||
| 1898 | R | 31.4 | Very low | 30.9 | Very low | 173 Ų | 173 | 117.1 Ų | 117.1 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | cis | -154.4 | -175.2 | 2.7 | -126.1 | 164.6 | -158.2 | 157.1 | 5.4 | 108.2 | ||||
| 1899 | S | 34.9 | Very low | 30.7 | Very low | 80 Ų | 80 | 115.4 Ų | 115.4 | 56% | 0.559 | 70% | 0.702 | S | S | * | * | cis | -158.5 | 174.9 | 14.2 | -126.6 | 0 | 0 | 0 | 0 | 108.5 | D1901 | S1899-D1901 PolarHBondContact OG-OD1 3.46Š| ||
| 1900 | T | 32.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | S | Bend | cis | -145.4 | 159.7 | 18.5 | 44.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 1901 | D | 32.9 | Very low | 30.2 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | cis | -177.1 | 167.7 | -10.5 | -92.8 | -10.8 | 0 | 0 | 0 | 106.2 | S1899 | S1899-D1901 PolarHBondContact OG-OD1 3.46Š| ||
| 1902 | A | 31 | Very low | 30.2 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 72% | 0.719 | 69% | 0.688 | S | S | * | * | cis | -152.1 | 166.1 | -10.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1903 | P | 36 | Very low | 30 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 57% | 0.565 | 69% | 0.687 | S | S | * | * | trans | -138.8 | -169.5 | -160.4 | 37.3 | -14.9 | 0 | 0 | 0 | 116.5 | ||||
| 1904 | T | 28.3 | Very low | 29.8 | Very low | 114 Ų | 114 | 109.4 Ų | 109.4 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | trans | 76.4 | 138.2 | 143.4 | 39.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1905 | L | 27.8 | Very low | 30 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 76% | 0.764 | 66% | 0.658 | S | S | * | * | trans | 71.1 | 109.3 | 133.7 | -66.1 | 166 | 0 | 0 | 0 | 123.6 | ||||
| 1906 | S | 25.2 | Very low | 30.2 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 71% | 0.706 | 67% | 0.667 | S | S | * | * | 69.4 | -170 | 117.2 | -46.2 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1907 | P | 34.8 | Very low | 30.2 | Very low | 122 Ų | 122 | 111.6 Ų | 111.6 | 79% | 0.792 | 67% | 0.668 | S | S | * | * | -133.5 | -173.4 | -111.1 | 39 | -17 | 0 | 0 | 0 | 117 | |||||
| 1908 | A | 26.6 | Very low | 30 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | 93 | 117.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1909 | S | 24.4 | Very low | 29.6 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | trans | 44.6 | 111.7 | 141 | 58.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1910 | N | 25.6 | Very low | 29.3 | Very low | 157 Ų | 157 | 118.2 Ų | 118.2 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | 89.2 | 162.9 | 86.1 | -65.7 | -14.5 | 0 | 0 | 0 | 112.8 | |||||
| 1911 | P | 32.2 | Very low | 29 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | cis | -122 | -162.8 | -10.3 | 42.7 | -26.2 | 0 | 0 | 0 | 111.9 | ||||
| 1912 | P | 35.1 | Very low | 28.8 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 44% | 0.435 | 70% | 0.7 | S | S | . | * | trans | -112.5 | 154.9 | 178 | 40.1 | -31.5 | 0 | 0 | 0 | 115.3 | ||||
| 1913 | V | 25.7 | Very low | 28.8 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | B | Isolated β-bridge | trans | -176.3 | 137.5 | 163.1 | 128.8 | 0 | 0 | 0 | 0 | 111.4 | A1797 D1798 | A1797-V1913 WeakPolarHBondContact O-CA 3.47Å; A1797-V1913 WeakPolarHBondContact O-CG2 3.14Å; D1798-V1913 CarbonylContact O-C 3.47Å; D1798-V1913 WeakPolarHBondContact O-CA 3.39Å; D1798-V1913 PolarHBondContact O-N 2.8Å |
| 1914 | S | 26.2 | Very low | 28.5 | Very low | 60 Ų | 60 | 125.5 Ų | 125.5 | 42% | 0.42 | 70% | 0.698 | S | S | . | * | cis | -159.4 | 172 | -10.8 | -150.1 | 0 | 0 | 0 | 0 | 114.7 | A1797 D1798 | A1797-S1914 VanDerWaalsContact O-CA 3.29Å; A1797-S1914 WeakPolarHBondContact O-CA 3.17Å; A1797-S1914 VanDerWaalsContact O-CB 3.31Å; A1797-S1914 WeakPolarHBondContact O-CB 3.4Å; A1797-S1914 PolarHBondContact O-OG 3.48Å; D1798-S1914 WeakPolarHBondContact O-CA 3.18Å; D1798-S1914 PolarHBondContact O-N 3.45Å | ||
| 1915 | T | 34.7 | Very low | 28.7 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 49% | 0.491 | 70% | 0.698 | S | S | . | * | trans | -62.3 | 161.6 | 172 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | D1798 | D1798-T1915 HydrophobicContact CB-CG2 4.32Š| ||
| 1916 | P | 31.5 | Very low | 28.9 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | trans | -127.7 | 156.3 | 140.5 | 37.1 | -28.9 | 0 | 0 | 0 | 114.5 | ||||
| 1917 | K | 26.5 | Very low | 29.2 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 80% | 0.8 | 70% | 0.695 | S | S | * | * | trans | -101 | 158.3 | -171.8 | -67.2 | 168.5 | 178.7 | 162.5 | 0 | 113.4 | ||||
| 1918 | R | 25.6 | Very low | 29.1 | Very low | 209 Ų | 209 | 131.8 Ų | 131.8 | 79% | 0.789 | 69% | 0.694 | S | S | * | * | trans | 88.3 | 133.3 | 140.8 | -91 | 176.7 | 172.5 | -172.8 | -1 | 121.9 | ||||
| 1919 | R | 24.3 | Very low | 29.1 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 81% | 0.811 | 70% | 0.695 | S | S | * | * | trans | 80.9 | 109.1 | 139.6 | -74.4 | 175 | 171.6 | 178.8 | -4.4 | 120.7 | ||||
| 1920 | G | 27.4 | Very low | 29.4 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | 92.4 | 151.7 | 133.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1921 | L | 28.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | cis | -156.1 | 146.9 | -3.2 | -100 | 165.3 | 0 | 0 | 0 | 109.9 | ||||
| 1922 | Q | 27.9 | Very low | 29.3 | Very low | 145 Ų | 145 | 138 Ų | 138 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | 61.7 | 138.2 | 147.3 | -73.4 | 172.5 | -6.3 | 0 | 0 | 122.6 | ||||
| 1923 | H | 29.9 | Very low | 28.9 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | trans | 73.2 | 140.7 | 141.8 | -69.4 | -16.8 | 0 | 0 | 0 | 119.1 | ||||
| 1924 | K | 30.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 57% | 0.565 | 72% | 0.723 | S | S | * | * | cis | -167.9 | 155 | -11 | -132.1 | 168.8 | 174.6 | -171.8 | 0 | 110.8 | ||||
| 1925 | Y | 33 | Very low | 29.1 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | 69.1 | 150.4 | 161.1 | -60.5 | -48 | 0 | 0 | 0 | 117.8 | ||||
| 1926 | L | 32.2 | Very low | 28.8 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 70% | 0.696 | 75% | 0.754 | S | S | * | * | cis | -153.2 | 147.8 | -2.8 | -122.4 | 158.5 | 0 | 0 | 0 | 109.8 | ||||
| 1927 | L | 31.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 71% | 0.707 | 75% | 0.751 | S | S | * | * | trans | 67.5 | 137.4 | 165.5 | -56.2 | -179.5 | 0 | 0 | 0 | 117.6 | ||||
| 1928 | E | 32.4 | Very low | 28.8 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | cis | -148.1 | 158.3 | -9.7 | -156.6 | 151.1 | -135.4 | 0 | 0 | 110.7 | ||||
| 1929 | V | 25.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | trans | -127.5 | 130.1 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 108.1 | D1931 | V1929-D1931 HydrophobicContact CG1-CB 4.46Š| ||
| 1930 | I | 30.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -129.7 | 114.1 | 150.1 | -59.5 | -176.5 | 0 | 0 | 0 | 107.2 | E1932 | I1930-E1932 HydrophobicContact CG2-CG 4Š| ||
| 1931 | D | 26.4 | Very low | 29.6 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | -124.3 | 117.9 | 164 | -169.6 | 20.4 | 0 | 0 | 0 | 103.9 | V1929 | V1929-D1931 HydrophobicContact CG1-CB 4.46Š| ||
| 1932 | E | 30.3 | Very low | 29.7 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -125.1 | 98 | -177.3 | -85.5 | -165.9 | 170.4 | 0 | 0 | 111.3 | I1930 | I1930-E1932 HydrophobicContact CG2-CG 4Š| ||
| 1933 | H | 25.9 | Very low | 30.1 | Very low | 171 Ų | 171 | 143 Ų | 143 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -79.4 | 141.5 | 155.8 | -87.1 | -82.7 | 0 | 0 | 0 | 110.3 | ||||
| 1934 | S | 26.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -67.2 | 144.6 | 178.4 | -36.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1935 | P | 29.8 | Very low | 30.5 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -116.6 | 162.4 | 147.8 | 36.9 | -28.5 | 0 | 0 | 0 | 112.1 | ||||
| 1936 | S | 28.1 | Very low | 30.5 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -96.9 | 161.5 | -173.6 | -52.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1937 | D | 27.7 | Very low | 30.4 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | 61.5 | 106.8 | 152.5 | -56.8 | -40.7 | 0 | 0 | 0 | 120.9 | ||||
| 1938 | L | 32.3 | Very low | 30.4 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | -170.7 | 124.6 | 113 | -102.2 | 166.8 | 0 | 0 | 0 | 114.4 | |||||
| 1939 | S | 30.6 | Very low | 30.3 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 39.7 | 112 | 151.6 | 61.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1940 | L | 27.7 | Very low | 30.4 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -32.9 | 162.4 | 145.4 | -70.3 | 170.2 | 0 | 0 | 0 | 115.5 | ||||
| 1941 | P | 35.1 | Very low | 30.5 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | cis | -160.7 | -172.9 | 44.4 | 46.4 | -24.8 | 0 | 0 | 0 | 120.6 | ||||
| 1942 | R | 31 | Very low | 30.6 | Very low | 213 Ų | 213 | 138.5 Ų | 138.5 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 75.5 | 144.7 | 159.1 | -71.6 | 175.8 | 167.4 | 102.6 | -6 | 117 | ||||
| 1943 | T | 36.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 73% | 0.73 | 72% | 0.716 | S | S | * | * | cis | -124.2 | 132.3 | -2.3 | 42.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1944 | R | 33.8 | Very low | 31 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | 61.6 | 140.1 | 72 | -84.8 | -166 | 177 | -171.3 | 1.6 | 113.6 | |||||
| 1945 | S | 33.8 | Very low | 31.3 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | cis | -169.9 | 164.5 | 5.6 | 34.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1946 | R | 33.7 | Very low | 31.4 | Very low | 221 Ų | 221 | 134.1 Ų | 134.1 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | cis | -160 | -166.9 | 16.5 | -129.3 | 165.5 | 168.8 | -178.7 | -2.9 | 105.9 | ||||
| 1947 | T | 31 | Very low | 31.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | cis | -169.7 | 161.3 | 5.5 | 4.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1948 | R | 31 | Very low | 31.8 | Very low | 206 Ų | 206 | 132.1 Ų | 132.1 | 78% | 0.777 | 71% | 0.711 | S | S | * | * | cis | -173.4 | 132.2 | -16.7 | -143.7 | -156.8 | 155.6 | -155 | -7.1 | 106.8 | ||||
| 1949 | L | 30.4 | Very low | 31.7 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 58% | 0.576 | 71% | 0.713 | S | S | * | * | trans | 64 | 163.5 | 152.8 | -65.5 | 178.3 | 0 | 0 | 0 | 118.7 | E1741 | E1741-L1949 WeakPolarHBondContact OE2-CD2 3.27Š| ||
| 1950 | S | 28.3 | Very low | 32.1 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 43% | 0.434 | 72% | 0.715 | S | S | . | * | cis | -158.2 | 158.6 | -10.2 | 153 | 0 | 0 | 0 | 0 | 111.2 | E1741 | E1741-S1950 WeakPolarHBondContact CB-OG 3.29Å; E1741-S1950 VanDerWaalsContact CG-OG 3.25Å; E1741-S1950 WeakPolarHBondContact CG-OG 3.09Å; E1741-S1950 WeakPolarHBondContact OE1-CA 3.02Å | ||
| 1951 | V | 31.6 | Very low | 32.2 | Very low | 61 Ų | 61 | 132 Ų | 132 | 37% | 0.37 | 71% | 0.71 | S | S | . | * | trans | -53.9 | 159.3 | 165.4 | 103.2 | 0 | 0 | 0 | 0 | 113.2 | E1741 | E1741-V1951 HydrophobicContact CB-CG1 4.34Å; E1741-V1951 HydrophobicContact CG-CB 3.65Å; E1741-V1951 HydrophobicContact CG-CG1 3.4Å; E1741-V1951 PolarHBondContact OE1-N 3.39Å | ||
| 1952 | D | 29.1 | Very low | 32.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | cis | -151 | 175.8 | 22 | -136.6 | -36.9 | 0 | 0 | 0 | 117.4 | ||||
| 1953 | S | 32.1 | Very low | 32.6 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -26.1 | 142.2 | 172.7 | -56.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1954 | E | 32.3 | Very low | 32.3 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | 46 | 134.4 | 144.2 | -61.8 | -169.9 | 155.9 | 0 | 0 | 121.8 | ||||
| 1955 | A | 32.2 | Very low | 32.2 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | cis | -168.7 | 173.5 | -6.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1956 | T | 31.7 | Very low | 32.3 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | trans | 75.6 | 112.6 | 159.2 | 43.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1957 | S | 31.7 | Very low | 32.4 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | 69.5 | 95 | 134.8 | 62 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1958 | S | 32.5 | Very low | 32.5 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 70% | 0.702 | S | S | * | * | 79.1 | 120.5 | 115.9 | 69.3 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 1959 | R | 31 | Very low | 32.6 | Very low | 238 Ų | 238 | 124.4 Ų | 124.4 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | trans | 68.4 | 161.8 | 145.4 | -84 | -169.7 | 164.7 | -175.2 | -3.1 | 119.2 | ||||
| 1960 | P | 37.9 | Very low | 32.7 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | cis | -137.7 | 174.6 | -37.2 | 38.8 | -22.9 | 0 | 0 | 0 | 114.2 | ||||
| 1961 | G | 29.9 | Very low | 33 | Very low | 75 Ų | 75 | 129.4 Ų | 129.4 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | 119.4 | 108.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1962 | T | 33.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -57.6 | 165.2 | 152.6 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1963 | P | 40 | Very low | 32.8 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -161.6 | -159.6 | 41.8 | 42.2 | -16.9 | 0 | 0 | 0 | 118.4 | ||||
| 1964 | T | 30.9 | Very low | 32.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | trans | 73.9 | 156.2 | 147.9 | 48.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1965 | M | 31.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 135 Ų | 135 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -154.2 | 176.4 | -2.8 | -113.9 | -128 | -172 | 0 | 0 | 108.3 | ||||
| 1966 | T | 34.9 | Very low | 33 | Very low | 97 Ų | 97 | 140 Ų | 140 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | -177.7 | 140.4 | 58.8 | 32.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1967 | K | 35.8 | Very low | 33 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 66.7 | 154 | 132.4 | -63.1 | 166.2 | -171.4 | 159.8 | 0 | 121.3 | ||||
| 1968 | A | 33.9 | Very low | 33.5 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -175.5 | 158.8 | -23.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1969 | R | 34 | Very low | 33.9 | Very low | 256 Ų | 256 | 138.9 Ų | 138.9 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | trans | 65.7 | 139.3 | 165 | -62.7 | 171.1 | 170.7 | 176.5 | -3.7 | 116.7 | ||||
| 1970 | G | 30.8 | Very low | 34 | Very low | 68 Ų | 68 | 133.7 Ų | 133.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | 138.3 | 141.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1971 | K | 35.8 | Very low | 33.9 | Very low | 208 Ų | 208 | 132.1 Ų | 132.1 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | 142.3 | 109.9 | 157.6 | -82.5 | 170.2 | -175.6 | 178.5 | 0 | 113.8 | ||||
| 1972 | R | 29.5 | Very low | 34 | Very low | 239 Ų | 239 | 133.1 Ų | 133.1 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | 71.4 | 121.5 | 119.8 | -159.3 | -175 | -150.3 | -156.8 | 6.1 | 121.4 | |||||
| 1973 | A | 27.6 | Very low | 34.6 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | 68.9 | 138.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1974 | T | 33.8 | Very low | 34.3 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -138.2 | 133.8 | 21.4 | 44.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1975 | S | 31.2 | Very low | 34.4 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -129.4 | 154.5 | 141.6 | 57.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1976 | Q | 35 | Very low | 34.4 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | -109.8 | 164.5 | -179.3 | -66.8 | -176.1 | -3.8 | 0 | 0 | 110.8 | ||||
| 1977 | A | 32.2 | Very low | 34.2 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -146.9 | -164.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1978 | P | 42.3 | Very low | 34 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -120.5 | -148.2 | -12.3 | 38.6 | -16.4 | 0 | 0 | 0 | 108.2 | ||||
| 1979 | P | 39.2 | Very low | 34 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -133.8 | -168.9 | 1.8 | 41 | -17.4 | 0 | 0 | 0 | 114.1 | ||||
| 1980 | T | 34.1 | Very low | 33.8 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -153.7 | 166.6 | 12.6 | -26.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1981 | A | 34.6 | Very low | 33.9 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 64.9 | 92.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1982 | S | 32.3 | Very low | 33.8 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | trans | -75.2 | 158.9 | 152.2 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1983 | P | 46.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | trans | -111.7 | 126.5 | 130.1 | 33.4 | -26.5 | 0 | 0 | 0 | 109.9 | ||||
| 1984 | S | 33.4 | Very low | 34 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | cis | 73.3 | 133.4 | 17.9 | 116.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1985 | V | 34.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 61% | 0.606 | 75% | 0.751 | S | S | * | * | cis | -166.9 | 132.7 | 15.7 | 93.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1986 | R | 30.9 | Very low | 34.5 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | 59.9 | 170.1 | 139.8 | -71.7 | 177 | -169.1 | 146.6 | -1.9 | 119.9 | ||||
| 1987 | R | 30.2 | Very low | 34.2 | Very low | 211 Ų | 211 | 127 Ų | 127 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | cis | -158.5 | 173 | 4.7 | -135.9 | 164.9 | -170.1 | 163.7 | 1.8 | 112 | ||||
| 1988 | S | 32.5 | Very low | 34.2 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | 97.6 | 139.9 | 153 | -157.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 1989 | L | 32.5 | Very low | 33.7 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | cis | -166.3 | 144.7 | -21.6 | -106.8 | 178.3 | 0 | 0 | 0 | 109.5 | ||||
| 1990 | R | 31.7 | Very low | 33.4 | Very low | 227 Ų | 227 | 128.3 Ų | 128.3 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | 63.3 | 158.6 | 162.4 | -64.2 | 175 | 169.4 | -174.9 | -5.1 | 117.7 | ||||
| 1991 | G | 32.3 | Very low | 33.5 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | trans | -166 | -65.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1992 | H | 32.5 | Very low | 33.6 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | 76.8 | 146 | 176.3 | -59.7 | -85.4 | 0 | 0 | 0 | 120.8 | ||||
| 1993 | S | 31.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | 61.7 | 115.5 | 154.4 | 51.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1994 | E | 30.4 | Very low | 33 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | cis | 111 | 157 | 48.9 | -97.3 | -160.8 | 128.3 | 0 | 0 | 113 | ||||
| 1995 | P | 36.4 | Very low | 33 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | -131.4 | -125.2 | -114.6 | 42.8 | -19.9 | 0 | 0 | 0 | 115.2 | |||||
| 1996 | P | 39 | Very low | 32.9 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -124.4 | -174.5 | -145.4 | 38.2 | -15.3 | 0 | 0 | 0 | 117.2 | ||||
| 1997 | A | 29.6 | Very low | 33.3 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 118.5 | 119.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1998 | A | 31.2 | Very low | 33.4 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | trans | 80.1 | 142.4 | 130.7 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 1999 | L | 31.6 | Very low | 33.6 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | trans | 85.5 | 115.2 | 155.2 | -60.2 | 179.6 | 0 | 0 | 0 | 123.7 | ||||
| 2000 | S | 32.9 | Very low | 33.6 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | 76.4 | 147.9 | 136.1 | -56.5 | 0 | 0 | 0 | 0 | 122.9 | Q2024 | S2000-Q2024 PolarHBondContact O-NE2 2.86Š| ||
| 2001 | A | 37 | Very low | 33.7 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 54% | 0.537 | 76% | 0.757 | S | S | . | * | trans | -119.7 | -161.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S2025 | A2001-S2025 PolarHBondContact O-OG 3.21Š| ||
| 2002 | Q | 36.2 | Very low | 33.8 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 61% | 0.607 | 77% | 0.766 | S | S | * | * | cis | -173.6 | 166.4 | 25.9 | -147.1 | -176.7 | 22 | 0 | 0 | 114.6 | S2025 | Q2002-S2025 PolarHBondContact N-OG 3.03Š| ||
| 2003 | L | 34.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 64% | 0.644 | 77% | 0.767 | S | S | * | * | trans | 83.5 | 129.8 | 145.6 | -123.2 | 77.6 | 0 | 0 | 0 | 124.6 | ||||
| 2004 | V | 33.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | trans | 54.3 | 145.4 | 157.4 | -100.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2005 | R | 32.9 | Very low | 34 | Very low | 232 Ų | 232 | 135.6 Ų | 135.6 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | cis | -148.6 | 151.2 | 24.9 | -67.6 | -172.1 | 161.3 | 156.4 | -4.4 | 115.9 | ||||
| 2006 | K | 32.6 | Very low | 33.9 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | 2.5 | 162.1 | 139.5 | -76.1 | -178.4 | 179.9 | -178 | 0 | 121.3 | ||||
| 2007 | P | 37.8 | Very low | 33.7 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -147 | -170.7 | -18.8 | 40.3 | -19.4 | 0 | 0 | 0 | 117.4 | ||||
| 2008 | K | 34.1 | Very low | 34 | Very low | 181 Ų | 181 | 144.8 Ų | 144.8 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | trans | 94.6 | 116 | 147.3 | -82.5 | -170.9 | 175.7 | -175.3 | 0 | 123.2 | ||||
| 2009 | T | 35.4 | Very low | 34.1 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 73.1 | 109.9 | 133.4 | 55.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 2010 | A | 33.6 | Very low | 34.3 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | 94.6 | 113.7 | 118.9 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 2011 | R | 33.2 | Very low | 34.5 | Very low | 246 Ų | 246 | 145.1 Ų | 145.1 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | 54.4 | 112.8 | 148.2 | -78.2 | -173.1 | 170.1 | 177.4 | -2.4 | 122 | ||||
| 2012 | A | 33.6 | Very low | 34.5 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | 51.2 | 113.4 | 133.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2013 | G | 32.2 | Very low | 34.6 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -174.4 | 36.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2014 | V | 33.9 | Very low | 34.7 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | trans | 45.3 | 114.1 | 152.9 | -174.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2015 | R | 33.6 | Very low | 34.9 | Very low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | 76.7 | 119.2 | 151.9 | -74.7 | 173.6 | 175.4 | -179.2 | -1.5 | 122.3 | ||||
| 2016 | S | 34 | Very low | 35.6 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | 98.9 | 112.1 | 129.4 | -70.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 2017 | R | 35.1 | Very low | 35.8 | Very low | 230 Ų | 230 | 134 Ų | 134 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 81.1 | 105.8 | 139.1 | -69.6 | -176.1 | 170.6 | -179.4 | -1.8 | 122.4 | ||||
| 2018 | K | 34.8 | Very low | 35.7 | Very low | 181 Ų | 181 | 133.1 Ų | 133.1 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | 78.5 | 126.2 | 128.6 | -74.8 | -164.9 | 170 | -168.7 | 0 | 122.8 | |||||
| 2019 | T | 33.1 | Very low | 35.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 66.6 | 142.7 | 140.3 | 52.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2020 | S | 36.2 | Very low | 35.8 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -175.9 | 154.5 | -9 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2021 | S | 37.3 | Very low | 36.3 | Very low | 128 Ų | 128 | 131 Ų | 131 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | 61.9 | 147.5 | 166 | 57.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2022 | G | 36.8 | Very low | 36.1 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | cis | 173.6 | -176.1 | -1.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2023 | V | 38.9 | Very low | 36.5 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | cis | -175.7 | 140.6 | -15.5 | 124.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2024 | Q | 37.2 | Very low | 36.5 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | trans | 60.4 | 165.2 | 162.3 | -72.1 | -179.7 | -0.8 | 0 | 0 | 120.9 | S2000 | S2000-Q2024 PolarHBondContact O-NE2 2.86Š| ||
| 2025 | S | 37.7 | Very low | 36.6 | Very low | 71 Ų | 71 | 130 Ų | 130 | 50% | 0.497 | 76% | 0.757 | S | S | . | * | cis | -168.5 | 174.3 | -22.1 | -89.8 | 0 | 0 | 0 | 0 | 115.3 | A2001 Q2002 | A2001-S2025 PolarHBondContact O-OG 3.21Å; Q2002-S2025 PolarHBondContact N-OG 3.03Å | ||
| 2026 | P | 46.9 | Very low | 36.5 | Very low | 88 Ų | 88 | 123 Ų | 123 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | trans | -129.4 | -175.9 | -165.2 | 44.5 | -31 | 0 | 0 | 0 | 118.7 | ||||
| 2027 | V | 36.9 | Very low | 36.9 | Very low | 153 Ų | 153 | 123.3 Ų | 123.3 | 93% | 0.927 | 75% | 0.748 | S | S | * | * | trans | -173.6 | 165.6 | 151.8 | 134.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2028 | A | 35.7 | Very low | 37 | Very low | 88 Ų | 88 | 119.3 Ų | 119.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | -63.4 | -174.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2029 | V | 35.2 | Very low | 37 | Very low | 139 Ų | 139 | 117 Ų | 117 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | cis | -155.1 | 174.7 | 43.9 | 177.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2030 | S | 36.5 | Very low | 36.9 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | trans | -83.9 | -168.9 | -173 | 61.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2031 | P | 42.9 | Very low | 37.2 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | cis | -132.8 | -165.1 | -21.5 | 30.4 | -5.7 | 0 | 0 | 0 | 116.3 | ||||
| 2032 | T | 30.1 | Very low | 36.8 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | -57.6 | -178 | 176.9 | 54.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2033 | P | 41.1 | Very low | 36.5 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | cis | -138.7 | -161.3 | 1.5 | 28.7 | -1.5 | 0 | 0 | 0 | 116.2 | ||||
| 2034 | I | 32.6 | Very low | 36.2 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 129.8 | 142.3 | 144 | -68.1 | 165.7 | 0 | 0 | 0 | 118 | ||||
| 2035 | D | 35.2 | Very low | 36 | Very low | 153 Ų | 153 | 118.2 Ų | 118.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | 60 | 134.2 | 174.3 | -61.7 | -26.5 | 0 | 0 | 0 | 120.2 | ||||
| 2036 | A | 33.5 | Very low | 36.2 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 114.9 | 162 | 9.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2037 | P | 42.4 | Very low | 35.4 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | -126.3 | -146 | -88.2 | 36.6 | -16.8 | 0 | 0 | 0 | 114.3 | |||||
| 2038 | I | 36.6 | Very low | 35 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 84.8 | 139.1 | 171.4 | -57.1 | 164.7 | 0 | 0 | 0 | 115.8 | ||||
| 2039 | D | 33.9 | Very low | 35.2 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | cis | -160.1 | 137.7 | -24.4 | -99.6 | -15.5 | 0 | 0 | 0 | 111.9 | ||||
| 2040 | V | 32.2 | Very low | 34.9 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | 24.8 | 142.3 | 117.8 | -170.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 2041 | P | 40.8 | Very low | 34.9 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | cis | -143.3 | -169.9 | -29.6 | 43 | -23 | 0 | 0 | 0 | 116.2 | ||||
| 2042 | D | 30.6 | Very low | 34.6 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 66.7 | 119.1 | 143.5 | -91.2 | -59.8 | 0 | 0 | 0 | 126.5 | ||||
| 2043 | S | 29.8 | Very low | 34.8 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | 50.4 | 102.7 | 123.6 | -60.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 2044 | T | 32.7 | Very low | 34.4 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 95% | 0.945 | 74% | 0.739 | S | S | * | * | trans | -160.1 | 163.3 | 131.7 | -0.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2045 | A | 32 | Very low | 34.6 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 74% | 0.74 | S | S | * | * | trans | -131.6 | -178.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2046 | P | 41.9 | Very low | 34.4 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | -119.6 | -160.9 | -51.5 | 32.5 | -14.6 | 0 | 0 | 0 | 110.4 | |||||
| 2047 | E | 29.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 74% | 0.736 | S | S | * | * | trans | 69 | 158.2 | 171.8 | -56.5 | -178.3 | 159.1 | 0 | 0 | 114.7 | ||||
| 2048 | E | 30.1 | Very low | 33.4 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | cis | -136.4 | -150.5 | -2.7 | -146.3 | -163 | 151.6 | 0 | 0 | 110.4 | Q2050 | E2048-Q2050 PolarHBondContact OE1-NE2 2.67Š| ||
| 2049 | E | 38.6 | Very low | 33.4 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | 60.5 | 97.4 | -176.1 | -58.3 | -152.8 | 131.2 | 0 | 0 | 114.3 | ||||
| 2050 | Q | 29.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 64% | 0.64 | 74% | 0.738 | S | S | * | * | 50.1 | 144.4 | 58.3 | -50.5 | -161.5 | 40.4 | 0 | 0 | 112.7 | E2048 | E2048-Q2050 PolarHBondContact OE1-NE2 2.67Š| |||
| 2051 | P | 37.5 | Very low | 33.3 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -143.1 | 156 | 28.1 | 31.1 | -7.1 | 0 | 0 | 0 | 118.7 | ||||
| 2052 | R | 36.8 | Very low | 33.5 | Very low | 206 Ų | 206 | 147 Ų | 147 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | 71.4 | 107.9 | 138 | -69 | 167.1 | -164.4 | 168.5 | 6 | 117.2 | ||||
| 2053 | L | 33.2 | Very low | 33.4 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | 75.5 | 129.6 | 77.2 | -79.8 | -175.6 | 0 | 0 | 0 | 113.6 | |||||
| 2054 | R | 33.1 | Very low | 33.9 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 73% | 0.725 | 74% | 0.736 | S | S | * | * | trans | 71.2 | 152.7 | 146.4 | -66.5 | 167.7 | -177.8 | 169 | 0.4 | 115.2 | ||||
| 2055 | R | 36.4 | Very low | 34.3 | Very low | 200 Ų | 200 | 146.5 Ų | 146.5 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | cis | -149.3 | 140.8 | 0.2 | -128.7 | 168 | 179.7 | 160.1 | -4.5 | 110.8 | ||||
| 2056 | T | 30.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | 12.7 | 118.8 | 139.9 | 63.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2057 | A | 27.3 | Very low | 34.3 | Very low | 87 Ų | 87 | 149.2 Ų | 149.2 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | 71.1 | 132.9 | 115.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 2058 | R | 27.9 | Very low | 34.5 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | 80.4 | 125.3 | 135.4 | -78.4 | 175.1 | 177 | -167 | -0.3 | 121.3 | ||||
| 2059 | R | 36.8 | Very low | 34.7 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 60% | 0.596 | 70% | 0.696 | S | S | * | * | trans | 64.4 | 89.6 | 136 | -70.2 | -178.6 | 161.4 | -156.9 | -12.1 | 118.4 | S2068 | R2059-S2068 PolarHBondContact NH1-O 3.39Š| ||
| 2060 | R | 30.2 | Very low | 34.5 | Very low | 234 Ų | 234 | 138.3 Ų | 138.3 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -140.8 | 146.6 | 139.3 | -73.6 | -170.3 | 170.4 | -169 | -2.8 | 107.1 | ||||
| 2061 | I | 35 | Very low | 34.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | cis | -157.1 | 154.8 | -5.7 | -115.7 | 164.5 | 0 | 0 | 0 | 107.4 | ||||
| 2062 | S | 44.7 | Very low | 34.9 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | trans | 51.3 | 115.5 | 171.2 | 57.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2063 | E | 28 | Very low | 34.6 | Very low | 108 Ų | 108 | 132 Ų | 132 | 51% | 0.505 | 71% | 0.71 | S | S | . | * | cis | 57.8 | 66.9 | 17.5 | -99.8 | 173.1 | -122.3 | 0 | 0 | 113.2 | Q2067 S2068 | E2063-Q2067 VanDerWaalsContact CD-N 3.3Å; E2063-Q2067 WeakPolarHBondContact OE2-CA 3.43Å; E2063-Q2067 PolarHBondContact OE2-N 2.82Å; E2063-S2068 PolarHBondContact OE2-N 3.14Å | ||
| 2064 | L | 40.7 | Very low | 34.4 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 94% | 0.937 | 72% | 0.72 | S | S | * | * | S | Bend | -112.6 | 110.4 | 118.3 | -69.1 | 167.6 | 0 | 0 | 0 | 104.2 | |||
| 2065 | S | 40.5 | Very low | 34.1 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 65% | 0.65 | 72% | 0.724 | S | S | * | * | S | Bend | cis | -129.9 | 144.2 | 19 | -142.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 2066 | D | 38.2 | Very low | 33.5 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 61% | 0.61 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 86.5 | 60.3 | 149.9 | -55.5 | -53.1 | 0 | 0 | 0 | 125.1 | ||
| 2067 | Q | 35.1 | Very low | 33.4 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | 94 | 92.7 | 119.2 | -68.8 | 168.3 | 69.6 | 0 | 0 | 124.7 | E2063 | E2063-Q2067 VanDerWaalsContact CD-N 3.3Å; E2063-Q2067 WeakPolarHBondContact OE2-CA 3.43Å; E2063-Q2067 PolarHBondContact OE2-N 2.82Å | |||
| 2068 | S | 33.8 | Very low | 33.4 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 56% | 0.559 | 73% | 0.73 | S | S | * | * | trans | 80.8 | 178.5 | 137.2 | 82.9 | 0 | 0 | 0 | 0 | 121.6 | R2059 E2063 | R2059-S2068 PolarHBondContact NH1-O 3.39Å; E2063-S2068 PolarHBondContact OE2-N 3.14Å | ||
| 2069 | A | 34.3 | Very low | 33.4 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | cis | -149.4 | -165 | 1.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2070 | N | 36.3 | Very low | 33.2 | Very low | 128 Ų | 128 | 128 Ų | 128 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | -162.8 | 161.2 | -178.7 | -102.3 | -15.8 | 0 | 0 | 0 | 117.3 | ||||
| 2071 | G | 34.4 | Very low | 33.1 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | 168.2 | 152.9 | 163 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2072 | T | 39.3 | Very low | 32.8 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 96% | 0.963 | 72% | 0.722 | S | S | * | * | trans | -155.1 | 143.3 | 172 | 49.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 2073 | G | 32 | Very low | 32 | Very low | 79 Ų | 79 | 126 Ų | 126 | 81% | 0.814 | 73% | 0.731 | S | S | * | * | trans | 174 | 165 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2074 | D | 28 | Very low | 32.3 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | trans | -81.6 | 165.2 | -178.6 | -83.5 | -68.4 | 0 | 0 | 0 | 114.8 | ||||
| 2075 | L | 27 | Very low | 32 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | 62.7 | 113.1 | 151.7 | -81.3 | 165.1 | 0 | 0 | 0 | 120.3 | ||||
| 2076 | R | 24.5 | Very low | 31.8 | Very low | 222 Ų | 222 | 122.8 Ų | 122.8 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | 72 | 122.2 | 134.8 | -107.4 | -175.9 | -176.9 | 179.3 | 0.6 | 120.3 | ||||
| 2077 | S | 27.2 | Very low | 31.6 | Very low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | trans | 58 | 119 | 135.6 | 61.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2078 | E | 27.4 | Very low | 31.5 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | 71.7 | 149.7 | 139.6 | -66 | 176.5 | -147.4 | 0 | 0 | 117.9 | ||||
| 2079 | A | 28.4 | Very low | 31.5 | Very low | 75 Ų | 75 | 128 Ų | 128 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | cis | -166.6 | 170.1 | -22.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2080 | S | 32.1 | Very low | 31.5 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 74.5 | 157.9 | 150 | 96.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 2081 | S | 28.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | cis | -169.7 | 161.4 | -26.1 | 47.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2082 | S | 28 | Very low | 31.4 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 70.9 | 155 | 159.8 | 90.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2083 | R | 28.9 | Very low | 31.2 | Very low | 229 Ų | 229 | 126.7 Ų | 126.7 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | cis | -147.6 | 146.9 | 16.4 | -123.8 | 147.6 | 172.3 | -167.9 | -1.7 | 105 | ||||
| 2084 | T | 33.9 | Very low | 31.2 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | cis | -158.7 | 131.9 | 41.4 | 46.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2085 | G | 35.5 | Very low | 31.5 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 74.8 | 162.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2086 | S | 34.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -173.1 | 133.7 | -21 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2087 | K | 34.6 | Very low | 32 | Very low | 201 Ų | 201 | 128.8 Ų | 128.8 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | 69.9 | 151.7 | 165.9 | -56.6 | 171.9 | -177.1 | 177.5 | 0 | 116.2 | ||||
| 2088 | S | 33.9 | Very low | 32.1 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | cis | -171.9 | 145.9 | -17.9 | 48.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 2089 | N | 32.9 | Very low | 32.3 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 80.1 | 117.9 | 149.1 | -65.4 | 5.9 | 0 | 0 | 0 | 124.8 | ||||
| 2090 | S | 33.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | 76.1 | 119.7 | 126.2 | 65.7 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 2091 | A | 35.5 | Very low | 33 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 65.2 | 151.9 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 2092 | A | 34.4 | Very low | 32.9 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | cis | -179.7 | 166.7 | -16.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2093 | S | 34.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | cis | -178.2 | 160.7 | -27.5 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2094 | T | 33 | Very low | 32.8 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | trans | 62.7 | 152.8 | 158.8 | 41.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2095 | Q | 33.1 | Very low | 32.7 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | cis | -167.8 | -179.8 | -30.2 | -125.7 | 178.1 | 4.2 | 0 | 0 | 111.6 | ||||
| 2096 | N | 31 | Very low | 32.4 | Very low | 153 Ų | 153 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 166.3 | -174.5 | -55.5 | -37.5 | 0 | 0 | 0 | 115.7 | ||||
| 2097 | R | 32 | Very low | 32.4 | Very low | 211 Ų | 211 | 153.4 Ų | 153.4 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | 147.5 | 124.6 | 102.5 | -165.3 | 167.8 | -177.5 | 162.5 | 8.7 | 118.4 | |||||
| 2098 | E | 29.6 | Very low | 32.3 | Very low | 137 Ų | 137 | 153.9 Ų | 153.9 | 64% | 0.64 | 79% | 0.792 | S | S | * | * | trans | 43.3 | 139 | 147.9 | -63.7 | -178.2 | 119 | 0 | 0 | 126.7 | ||||
| 2099 | L | 31.4 | Very low | 32.2 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 89.3 | 148.4 | 146.3 | -72.6 | 160 | 0 | 0 | 0 | 122.9 | ||||
| 2100 | R | 33 | Very low | 32.3 | Very low | 239 Ų | 239 | 155.5 Ų | 155.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -96.6 | -176.8 | -171.1 | -62.2 | 176.8 | 164.9 | 173.8 | -5.3 | 111.8 | ||||
| 2101 | P | 40.6 | Very low | 32.3 | Very low | 110 Ų | 110 | 162.2 Ų | 162.2 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | cis | -144.5 | -174.6 | 6.6 | 43.2 | -22.9 | 0 | 0 | 0 | 118.9 | ||||
| 2102 | R | 26.9 | Very low | 32.2 | Very low | 228 Ų | 228 | 165.2 Ų | 165.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 96 | 130.6 | 153.6 | -74.3 | 178.4 | 172.8 | 175.7 | -1.8 | 122.1 | ||||
| 2103 | L | 28.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 168.8 Ų | 168.8 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | trans | 74.6 | 119.4 | 142.7 | -99.8 | 78.1 | 0 | 0 | 0 | 123.9 | ||||
| 2104 | R | 27.1 | Very low | 31.9 | Very low | 223 Ų | 223 | 172.7 Ų | 172.7 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | 64.7 | 147.5 | 133 | -89.1 | -176.2 | 169.7 | 176.3 | -3.3 | 122.2 | ||||
| 2105 | R | 32.2 | Very low | 31.9 | Very low | 228 Ų | 228 | 176 Ų | 176 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 73.4 | 129.3 | 168.6 | -67.7 | -176.7 | 166.4 | 158.9 | -5.4 | 115.1 | ||||
| 2106 | T | 29.5 | Very low | 31.8 | Very low | 126 Ų | 126 | 175.9 Ų | 175.9 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | cis | 97.3 | 81.9 | 28.9 | 68.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 2107 | S | 33 | Very low | 31.9 | Very low | 114 Ų | 114 | 177.5 Ų | 177.5 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -179.9 | 123.6 | 150.9 | 47.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 2108 | K | 32.4 | Very low | 31.8 | Very low | 212 Ų | 212 | 175.1 Ų | 175.1 | 92% | 0.922 | 83% | 0.83 | S | S | * | * | 64.2 | 93.9 | 51.8 | -119.5 | -158.6 | -173.9 | -163.5 | 0 | 114.1 | |||||
| 2109 | S | 33.3 | Very low | 32 | Very low | 105 Ų | 105 | 178 Ų | 178 | 73% | 0.734 | 84% | 0.844 | S | S | * | * | trans | -169.3 | 148.8 | 145 | 53.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2110 | E | 35.2 | Very low | 32.1 | Very low | 173 Ų | 173 | 178.9 Ų | 178.9 | 81% | 0.808 | 84% | 0.842 | S | S | * | * | trans | -18.5 | 145.9 | -178 | -60.3 | 93.1 | -104.4 | 0 | 0 | 119.8 | ||||
| 2111 | H | 33.4 | Very low | 32 | Very low | 248 Ų | 248 | 173.5 Ų | 173.5 | 100% | 1.148 | 84% | 0.836 | S | S | * | * | cis | -142.7 | 0 | 13.3 | -152.3 | -42.7 | 0 | 0 | 0 | 112.8 |
Retrieved 2,111 of 2,111 residues in 459.3 ms
(Link to these results)