| 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 | 73.8 | Confident | 91.9 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | 0 | 70.9 | 0 | -66.2 | -142.9 | -63.4 | 0 | 0 | 109.8 | V238 A239 Q240 A381 Y410 Q411 | M1-V238 VanDerWaalsContact CE-C 3.48Å; M1-V238 WeakPolarHBondContact CE-O 3.33Å; M1-A239 WeakPolarHBondContact CE-O 3.3Å; M1-Q240 HydrophobicContact CE-CB 4.33Å; M1-Q240 HydrophobicContact CE-CG 3.57Å; M1-Q240 HydrophobicContact SD-CG 4.43Å; M1-A381 HydrophobicContact SD-CB 3.91Å; M1-Y410 VanDerWaalsContact C-CE1 3.46Å; M1-Y410 CarbonylContact C-O 3.56Å; M1-Y410 WeakPolarHBondContact CA-O 3.44Å; M1-Y410 HydrophobicContact CB-CD1 3.78Å; M1-Y410 HydrophobicContact CB-CE1 3.45Å; M1-Y410 VanDerWaalsContact CB-CE1 3.45Å; M1-Y410 HydrophobicContact CG-CD1 3.89Å; M1-Y410 HydrophobicContact CG-CE1 3.97Å; M1-Y410 PolarHBondContact N-O 2.64Å; M1-Y410 HydrophobicContact SD-CD1 4.3Å; M1-Y410 HydrophobicContact SD-CE1 4.22Å; M1-Q411 HydrophobicContact CG-CB 4.42Å; M1-Q411 HydrophobicContact CG-CG 3.91Å; M1-Q411 HydrophobicContact SD-CG 4.02Å | |||
| 2 | V | 89 | Confident | 91.9 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | trans | -155.4 | 153.8 | 171.3 | -71.3 | 0 | 0 | 0 | 0 | 108.5 | L134 Y135 Y410 R413 | V2-L134 HydrophobicContact CB-CD1 4.37Å; V2-L134 HydrophobicContact CB-CD2 3.9Å; V2-L134 HydrophobicContact CB-CG 3.8Å; V2-L134 HydrophobicContact CG1-CB 4.48Å; V2-L134 HydrophobicContact CG1-CD2 3.85Å; V2-L134 HydrophobicContact CG1-CG 3.67Å; V2-L134 HydrophobicContact CG2-CD2 4.4Å; V2-Y135 HydrophobicContact CG1-CD1 3.35Å; V2-Y135 HydrophobicContact CG1-CE1 3.64Å; V2-Y410 PolarHBondContact N-O 3.22Å; V2-R413 HydrophobicContact CG2-CB 4.14Å; V2-R413 VanDerWaalsContact O-CD 3.32Å; V2-R413 WeakPolarHBondContact O-CD 3.47Å | ||
| 3 | L | 94.1 | Very high | 92 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 29% | 0.292 | C | S | . | . | trans | -73.6 | 162.9 | 163.2 | -71.2 | 179.8 | 0 | 0 | 0 | 111 | L5 L7 F8 I19 I137 G138 L140 Y410 | L3-L5 PolarHBondContact O-N 3.35Å; L3-L7 HydrophobicContact CB-CD1 4.33Å; L3-L7 HydrophobicContact CD2-CD1 4.31Å; L3-F8 HydrophobicContact CB-CE2 3.93Å; L3-F8 HydrophobicContact CB-CZ 4.32Å; L3-F8 HydrophobicContact CD1-CE2 4.44Å; L3-F8 HydrophobicContact CD1-CZ 4.18Å; L3-I19 HydrophobicContact CD1-CD1 4.07Å; L3-I19 HydrophobicContact CD1-CG2 4.42Å; L3-I137 HydrophobicContact CD1-CG2 3.96Å; L3-G138 WeakPolarHBondContact CD1-O 3.44Å; L3-L140 HydrophobicContact CD1-CD2 4.39Å; L3-L140 HydrophobicContact CD2-CG 4.11Å; L3-Y410 HydrophobicContact CD2-CD2 4.17Å; L3-Y410 HydrophobicContact CD2-CE2 4.49Å; L3-Y410 HydrophobicContact CG-CD2 4.39Å; L3-Y410 HydrophobicContact CG-CE2 4.25Å | ||
| 4 | D | 93.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.214 | 28% | 0.28 | C | S | . | . | trans | -64.4 | 131.1 | 168 | -156.2 | -38.5 | 0 | 0 | 0 | 110.5 | D6 L7 F8 R413 | D4-D6 PolarHBondContact O-N 2.92Å; D4-D6 PolarHBondContact OD1-N 3.28Å; D4-L7 HydrophobicContact CB-CD1 4.08Å; D4-L7 HydrophobicContact CB-CG 4.02Å; D4-L7 WeakPolarHBondContact O-CB 3.47Å; D4-L7 PolarHBondContact O-N 3.15Å; D4-L7 VanDerWaalsContact O-N 3.15Å; D4-F8 VanDerWaalsContact O-CD2 3.29Å; D4-F8 WeakPolarHBondContact O-CD2 3.08Å; D4-F8 WeakPolarHBondContact O-CE2 3.47Å; D4-R413 IonicContact OD2-CZ 3.11Å; D4-R413 IonicContact OD2-NH1 3.96Å; D4-R413 PolarHBondContact OD2-NH1 3.38Å; D4-R413 IonicContact OD2-NH2 2.71Å; D4-R413 PolarHBondContact OD2-NH2 2.92Å | ||
| 5 | L | 92.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -62.1 | -28.2 | 173.8 | -83.4 | 172.1 | 0 | 0 | 0 | 112 | L3 L7 F8 L36 R130 L134 | L3-L5 PolarHBondContact O-N 3.35Å; L5-L7 PolarHBondContact O-N 2.99Å; L5-F8 WeakPolarHBondContact O-CB 3.39Å; L5-F8 PolarHBondContact O-N 2.78Å; L5-F8 VanDerWaalsContact O-N 3.09Å; L5-L36 HydrophobicContact CD2-CD2 4.1Å; L5-R130 HydrophobicContact CD2-CG 4.27Å; L5-L134 HydrophobicContact CD1-CD2 4.42Å; L5-L134 HydrophobicContact CD2-CD1 4.27Å; L5-L134 HydrophobicContact CD2-CD2 3.96Å; L5-L134 HydrophobicContact CG-CD2 3.9Å |
| 6 | D | 93.6 | Very high | 92.8 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -69.8 | -19.1 | 179.5 | -72.9 | -9.7 | 0 | 0 | 0 | 112.3 | D4 F8 R9 K12 G14 | D4-D6 PolarHBondContact O-N 2.92Å; D4-D6 PolarHBondContact OD1-N 3.28Å; D6-F8 PolarHBondContact O-N 2.9Å; D6-R9 PolarHBondContact O-N 3.15Å; D6-R9 IonicContact OD1-CZ 2.7Å; D6-R9 IonicContact OD1-NH1 3.33Å; D6-R9 PolarHBondContact OD1-NH1 2.88Å; D6-K12 HydrophobicContact CB-CB 3.99Å; D6-K12 HydrophobicContact CB-CG 4.4Å; D6-G14 VanDerWaalsContact O-CA 3.29Å; D6-G14 WeakPolarHBondContact O-CA 3.32Å |
| 7 | L | 94.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 51.8 Ų | 51.8 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -65.1 | -21.9 | 170.6 | -68.7 | 169.1 | 0 | 0 | 0 | 113 | L3 D4 L5 G14 D15 I19 L140 | L3-L7 HydrophobicContact CB-CD1 4.33Å; L3-L7 HydrophobicContact CD2-CD1 4.31Å; D4-L7 HydrophobicContact CB-CD1 4.08Å; D4-L7 HydrophobicContact CB-CG 4.02Å; D4-L7 WeakPolarHBondContact O-CB 3.47Å; D4-L7 PolarHBondContact O-N 3.15Å; D4-L7 VanDerWaalsContact O-N 3.15Å; L5-L7 PolarHBondContact O-N 2.99Å; L7-G14 CarbonylContact O-C 3.55Å; L7-G14 VanDerWaalsContact O-CA 3.3Å; L7-G14 WeakPolarHBondContact O-CA 3.49Å; L7-D15 CarbonylContact O-C 3.49Å; L7-D15 PolarHBondContact O-N 3.24Å; L7-I19 HydrophobicContact CB-CD1 4.31Å; L7-L140 HydrophobicContact CD1-CD1 4.35Å |
| 8 | F | 96.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -90.7 | -15.3 | 179.3 | -61 | -100.6 | 0 | 0 | 0 | 112.3 | L3 D4 L5 D6 P16 I19 V33 L36 L37 L134 I137 | L3-F8 HydrophobicContact CB-CE2 3.93Å; L3-F8 HydrophobicContact CB-CZ 4.32Å; L3-F8 HydrophobicContact CD1-CE2 4.44Å; L3-F8 HydrophobicContact CD1-CZ 4.18Å; D4-F8 VanDerWaalsContact O-CD2 3.29Å; D4-F8 WeakPolarHBondContact O-CD2 3.08Å; D4-F8 WeakPolarHBondContact O-CE2 3.47Å; L5-F8 WeakPolarHBondContact O-CB 3.39Å; L5-F8 PolarHBondContact O-N 2.78Å; L5-F8 VanDerWaalsContact O-N 3.09Å; D6-F8 PolarHBondContact O-N 2.9Å; F8-P16 WeakPolarHBondContact O-CG 3.43Å; F8-I19 HydrophobicContact CD1-CG1 4.26Å; F8-I19 HydrophobicContact CD1-CG2 4.36Å; F8-I19 HydrophobicContact CE1-CB 4.23Å; F8-I19 HydrophobicContact CE1-CG1 4.18Å; F8-I19 HydrophobicContact CE1-CG2 3.6Å; F8-I19 HydrophobicContact CZ-CG1 4.48Å; F8-I19 HydrophobicContact CZ-CG2 3.98Å; F8-V33 HydrophobicContact CD1-CG1 4.19Å; F8-V33 HydrophobicContact CE1-CG1 4.2Å; F8-L36 HydrophobicContact CB-CD2 4.29Å; F8-L36 HydrophobicContact CD1-CD1 4.48Å; F8-L36 HydrophobicContact CD1-CD2 3.75Å; F8-L36 HydrophobicContact CD2-CD2 4.49Å; F8-L36 HydrophobicContact CE1-CD1 4.05Å; F8-L36 HydrophobicContact CE1-CD2 4.14Å; F8-L36 HydrophobicContact CG-CD2 3.94Å; F8-L36 HydrophobicContact CZ-CD1 4.14Å; F8-L37 HydrophobicContact CB-CD2 3.85Å; F8-L37 WeakPolarHBondContact O-CD2 3.4Å; F8-L134 HydrophobicContact CE2-CD1 3.81Å; F8-L134 HydrophobicContact CZ-CD1 3.98Å; F8-I137 HydrophobicContact CE1-CD1 3.8Å; F8-I137 HydrophobicContact CZ-CD1 3.97Å; F8-I137 HydrophobicContact CZ-CG2 4.25Å |
| 9 | R | 94.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | trans | -102.9 | 109.9 | -168.7 | -70.2 | 176.9 | -179.4 | 150 | -1.1 | 111.4 | D6 D11 K12 G13 G14 D40 | D6-R9 PolarHBondContact O-N 3.15Å; D6-R9 IonicContact OD1-CZ 2.7Å; D6-R9 IonicContact OD1-NH1 3.33Å; D6-R9 PolarHBondContact OD1-NH1 2.88Å; R9-D11 VanDerWaalsContact C-N 3.27Å; R9-D11 PolarHBondContact O-N 3.28Å; R9-K12 HydrophobicContact CB-CB 3.94Å; R9-K12 HydrophobicContact CB-CG 3.8Å; R9-K12 CarbonylContact O-C 3.54Å; R9-K12 WeakPolarHBondContact O-CA 3.11Å; R9-K12 WeakPolarHBondContact O-CB 3.45Å; R9-K12 PolarHBondContact O-N 3.17Å; R9-G13 PolarHBondContact O-N 3.18Å; R9-G14 WeakPolarHBondContact O-CA 3.45Å; R9-G14 PolarHBondContact O-N 2.68Å; R9-D40 IonicContact CZ-OD1 2.83Å; R9-D40 IonicContact CZ-OD2 3.42Å; R9-D40 IonicContact NE-OD1 3.09Å; R9-D40 IonicContact NE-OD2 3.75Å; R9-D40 PolarHBondContact NE-OD2 2.82Å; R9-D40 IonicContact NH2-OD1 3.33Å; R9-D40 PolarHBondContact NH2-OD1 3.05Å; R9-D40 IonicContact NH2-OD2 2.71Å; R9-D40 PolarHBondContact NH2-OD2 2.82Å | ||
| 10 | V | 95.5 | Very high | 93.7 | Very high | 109 Ų | 109 | 51.2 Ų | 51.2 | 66% | 0.661 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -59 | -37.3 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 112.1 | K12 G13 G14 P16 | V10-K12 PolarHBondContact O-N 2.96Å; V10-G13 PolarHBondContact O-N 3.41Å; V10-G14 WeakPolarHBondContact CA-O 3.46Å; V10-P16 HydrophobicContact CG2-CG 4Å |
| 11 | D | 93.1 | Very high | 93.9 | Very high | 103 Ų | 103 | 50.7 Ų | 50.7 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -67.7 | -13.7 | 176.6 | 65.5 | -69.4 | 0 | 0 | 0 | 113.8 | R9 | R9-D11 VanDerWaalsContact C-N 3.27Å; R9-D11 PolarHBondContact O-N 3.28Å |
| 12 | K | 91.7 | Very high | 95.1 | Very high | 126 Ų | 126 | 50.8 Ų | 50.8 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -103.3 | 4.6 | 173.4 | -57.8 | -60.9 | -179.1 | -174.2 | 0 | 113.2 | D6 R9 V10 G14 | D6-K12 HydrophobicContact CB-CB 3.99Å; D6-K12 HydrophobicContact CB-CG 4.4Å; R9-K12 HydrophobicContact CB-CB 3.94Å; R9-K12 HydrophobicContact CB-CG 3.8Å; R9-K12 CarbonylContact O-C 3.54Å; R9-K12 WeakPolarHBondContact O-CA 3.11Å; R9-K12 WeakPolarHBondContact O-CB 3.45Å; R9-K12 PolarHBondContact O-N 3.17Å; V10-K12 PolarHBondContact O-N 2.96Å; K12-G14 VanDerWaalsContact C-N 3.34Å |
| 13 | G | 92.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 49.8 Ų | 49.8 | 74% | 0.742 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 7.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R9 V10 | R9-G13 PolarHBondContact O-N 3.18Å; V10-G13 PolarHBondContact O-N 3.41Å |
| 14 | G | 94.9 | Very high | 95.7 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | trans | -72.2 | 158.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D6 L7 R9 V10 K12 | D6-G14 VanDerWaalsContact O-CA 3.29Å; D6-G14 WeakPolarHBondContact O-CA 3.32Å; L7-G14 CarbonylContact O-C 3.55Å; L7-G14 VanDerWaalsContact O-CA 3.3Å; L7-G14 WeakPolarHBondContact O-CA 3.49Å; R9-G14 WeakPolarHBondContact O-CA 3.45Å; R9-G14 PolarHBondContact O-N 2.68Å; V10-G14 WeakPolarHBondContact CA-O 3.46Å; K12-G14 VanDerWaalsContact C-N 3.34Å | ||
| 15 | D | 97.1 | Very high | 95.9 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | trans | -125.3 | 94.2 | 177.5 | -177.1 | 1.9 | 0 | 0 | 0 | 109.9 | L7 E17 L18 I19 | L7-D15 CarbonylContact O-C 3.49Å; L7-D15 PolarHBondContact O-N 3.24Å; D15-E17 PolarHBondContact O-N 3.34Å; D15-E17 WeakPolarHBondContact OD1-CA 3.16Å; D15-E17 VanDerWaalsContact OD1-CB 3.28Å; D15-E17 WeakPolarHBondContact OD1-CB 3.47Å; D15-E17 PolarHBondContact OD1-N 3.35Å; D15-L18 HydrophobicContact CB-CB 4Å; D15-L18 WeakPolarHBondContact O-CB 3.22Å; D15-L18 PolarHBondContact O-N 3.13Å; D15-L18 PolarHBondContact OD1-N 2.86Å; D15-I19 PolarHBondContact O-N 3.33Å | ||
| 16 | P | 96.9 | Very high | 96.2 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -21.3 | 176.4 | 16.2 | -23.9 | 0 | 0 | 0 | 113.6 | F8 V10 I19 R20 L37 | F8-P16 WeakPolarHBondContact O-CG 3.43Å; V10-P16 HydrophobicContact CG2-CG 4Å; P16-I19 PolarHBondContact O-N 3.13Å; P16-R20 WeakPolarHBondContact O-CG 3.31Å; P16-R20 PolarHBondContact O-N 3.31Å; P16-L37 HydrophobicContact CB-CD1 3.75Å; P16-L37 HydrophobicContact CB-CD2 4.18Å; P16-L37 HydrophobicContact CG-CD1 4.47Å |
| 17 | E | 97.7 | Very high | 96.4 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.5 | -35.6 | 176.4 | -166.7 | 54.7 | -148.7 | 0 | 0 | 111.8 | D15 I19 R20 S21 | D15-E17 PolarHBondContact O-N 3.34Å; D15-E17 WeakPolarHBondContact OD1-CA 3.16Å; D15-E17 VanDerWaalsContact OD1-CB 3.28Å; D15-E17 WeakPolarHBondContact OD1-CB 3.47Å; D15-E17 PolarHBondContact OD1-N 3.35Å; E17-I19 PolarHBondContact O-N 3.06Å; E17-R20 PolarHBondContact O-N 2.88Å; E17-R20 WeakPolarHBondContact OE2-CD 3.44Å; E17-R20 IonicContact OE2-CZ 3.42Å; E17-R20 IonicContact OE2-NH1 3.18Å; E17-R20 PolarHBondContact OE2-NH1 3.38Å; E17-S21 WeakPolarHBondContact O-CB 3.42Å; E17-S21 PolarHBondContact O-N 2.9Å |
| 18 | L | 97.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 47% | 0.466 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57 | -41.6 | 169.1 | 179.8 | 63.5 | 0 | 0 | 0 | 111 | D15 S21 N22 | D15-L18 HydrophobicContact CB-CB 4Å; D15-L18 WeakPolarHBondContact O-CB 3.22Å; D15-L18 PolarHBondContact O-N 3.13Å; D15-L18 PolarHBondContact OD1-N 2.86Å; L18-S21 PolarHBondContact O-N 3.31Å; L18-N22 WeakPolarHBondContact O-CB 3.41Å; L18-N22 PolarHBondContact O-N 3.07Å |
| 19 | I | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 178.6 | -48.9 | -54.3 | 0 | 0 | 0 | 111.6 | L3 L7 F8 D15 P16 E17 N22 E23 V33 I137 L140 | L3-I19 HydrophobicContact CD1-CD1 4.07Å; L3-I19 HydrophobicContact CD1-CG2 4.42Å; L7-I19 HydrophobicContact CB-CD1 4.31Å; F8-I19 HydrophobicContact CD1-CG1 4.26Å; F8-I19 HydrophobicContact CD1-CG2 4.36Å; F8-I19 HydrophobicContact CE1-CB 4.23Å; F8-I19 HydrophobicContact CE1-CG1 4.18Å; F8-I19 HydrophobicContact CE1-CG2 3.6Å; F8-I19 HydrophobicContact CZ-CG1 4.48Å; F8-I19 HydrophobicContact CZ-CG2 3.98Å; D15-I19 PolarHBondContact O-N 3.33Å; P16-I19 PolarHBondContact O-N 3.13Å; E17-I19 PolarHBondContact O-N 3.06Å; I19-N22 WeakPolarHBondContact O-CB 3.24Å; I19-N22 PolarHBondContact O-N 3.3Å; I19-E23 PolarHBondContact O-N 2.85Å; I19-V33 HydrophobicContact CB-CG1 4.34Å; I19-V33 HydrophobicContact CG2-CG1 4.25Å; I19-V33 HydrophobicContact CG2-CG2 3.94Å; I19-I137 HydrophobicContact CG2-CG2 4.03Å; I19-L140 HydrophobicContact CD1-CD2 3.69Å |
| 20 | R | 98.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 60.3 Ų | 60.3 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 173.2 | -71.4 | -168.2 | -167 | 90.4 | 7.4 | 111.7 | P16 E17 N22 E23 I24 T30 V33 D34 | P16-R20 WeakPolarHBondContact O-CG 3.31Å; P16-R20 PolarHBondContact O-N 3.31Å; E17-R20 PolarHBondContact O-N 2.88Å; E17-R20 WeakPolarHBondContact OE2-CD 3.44Å; E17-R20 IonicContact OE2-CZ 3.42Å; E17-R20 IonicContact OE2-NH1 3.18Å; E17-R20 PolarHBondContact OE2-NH1 3.38Å; R20-N22 VanDerWaalsContact C-N 3.27Å; R20-N22 PolarHBondContact O-N 3.24Å; R20-E23 PolarHBondContact O-N 2.96Å; R20-I24 VanDerWaalsContact O-CG1 3.32Å; R20-I24 WeakPolarHBondContact O-CG1 3.35Å; R20-I24 PolarHBondContact O-N 3.37Å; R20-T30 HydrophobicContact CB-CG2 3.73Å; R20-T30 HydrophobicContact CG-CG2 3.89Å; R20-V33 HydrophobicContact CG-CB 4.27Å; R20-V33 HydrophobicContact CG-CG1 4Å; R20-D34 IonicContact CZ-OD1 3.32Å; R20-D34 IonicContact NE-OD1 2.76Å; R20-D34 PolarHBondContact NE-OD1 2.89Å; R20-D34 IonicContact NH2-OD1 2.67Å; R20-D34 PolarHBondContact NH2-OD1 3.07Å |
| 21 | S | 97.9 | Very high | 96.4 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 175.5 | 167.6 | 0 | 0 | 0 | 0 | 111.3 | E17 L18 I24 K25 | E17-S21 WeakPolarHBondContact O-CB 3.42Å; E17-S21 PolarHBondContact O-N 2.9Å; L18-S21 PolarHBondContact O-N 3.31Å; S21-I24 PolarHBondContact O-N 3Å; S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 VanDerWaalsContact O-CG 3.28Å; S21-K25 WeakPolarHBondContact O-CG 3.48Å; S21-K25 PolarHBondContact O-N 2.93Å |
| 22 | N | 98.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 61.8 Ų | 61.8 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 176.6 | -174.2 | 73.1 | 0 | 0 | 0 | 112 | L18 I19 R20 I24 K25 R26 N139 L140 L141 | L18-N22 WeakPolarHBondContact O-CB 3.41Å; L18-N22 PolarHBondContact O-N 3.07Å; I19-N22 WeakPolarHBondContact O-CB 3.24Å; I19-N22 PolarHBondContact O-N 3.3Å; R20-N22 VanDerWaalsContact C-N 3.27Å; R20-N22 PolarHBondContact O-N 3.24Å; N22-I24 PolarHBondContact O-N 3.31Å; N22-K25 PolarHBondContact O-N 3.26Å; N22-R26 WeakPolarHBondContact O-CG 3.28Å; N22-R26 PolarHBondContact O-N 3.5Å; N22-N139 PolarHBondContact ND2-O 2.78Å; N22-L140 HydrophobicContact CB-CD2 4.42Å; N22-L141 WeakPolarHBondContact OD1-CG 3.19Å; N22-L141 PolarHBondContact OD1-N 3.36Å |
| 23 | E | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 176.9 | -73.5 | -68.5 | 104.3 | 0 | 0 | 111.9 | I19 R20 K25 R26 F27 R28 V33 I137 G138 | I19-E23 PolarHBondContact O-N 2.85Å; R20-E23 PolarHBondContact O-N 2.96Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 2.8Å; E23-R26 CarbonylContact O-C 3.42Å; E23-R26 WeakPolarHBondContact O-CA 3.27Å; E23-R26 WeakPolarHBondContact O-CB 3.22Å; E23-R26 PolarHBondContact O-N 3.43Å; E23-R26 VanDerWaalsContact O-N 3.12Å; E23-F27 PolarHBondContact O-N 3.33Å; E23-R28 CarbonylContact C-O 3.35Å; E23-R28 HydrophobicContact CB-CB 4.24Å; E23-R28 WeakPolarHBondContact O-CA 3.46Å; E23-R28 WeakPolarHBondContact O-CB 3.5Å; E23-R28 PolarHBondContact O-N 3.02Å; E23-R28 WeakPolarHBondContact OE2-CD 3.43Å; E23-V33 HydrophobicContact CG-CG2 3.98Å; E23-I137 HydrophobicContact CG-CG2 4.32Å; E23-G138 PolarHBondContact OE1-N 3.34Å |
| 24 | I | 98.3 | Very high | 96.9 | Very high | 95 Ų | 95 | 55.1 Ų | 55.1 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 173.7 | -69.5 | 165.7 | 0 | 0 | 0 | 110.9 | R20 S21 N22 R26 F27 R28 T30 | R20-I24 VanDerWaalsContact O-CG1 3.32Å; R20-I24 WeakPolarHBondContact O-CG1 3.35Å; R20-I24 PolarHBondContact O-N 3.37Å; S21-I24 PolarHBondContact O-N 3Å; N22-I24 PolarHBondContact O-N 3.31Å; I24-R26 PolarHBondContact O-N 3.3Å; I24-F27 WeakPolarHBondContact O-CA 3.35Å; I24-F27 PolarHBondContact O-N 2.87Å; I24-R28 WeakPolarHBondContact CA-O 3.48Å; I24-T30 HydrophobicContact CD1-CG2 3.82Å; I24-T30 HydrophobicContact CG1-CG2 3.89Å |
| 25 | K | 98.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 57.5 Ų | 57.5 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -27.9 | 176.5 | -75.7 | 175.1 | -175.7 | -177.8 | 0 | 112.7 | S21 N22 E23 F27 L141 I147 S375 | S21-K25 WeakPolarHBondContact O-CB 3.44Å; S21-K25 VanDerWaalsContact O-CG 3.28Å; S21-K25 WeakPolarHBondContact O-CG 3.48Å; S21-K25 PolarHBondContact O-N 2.93Å; N22-K25 PolarHBondContact O-N 3.26Å; E23-K25 VanDerWaalsContact C-N 3.34Å; E23-K25 PolarHBondContact O-N 2.8Å; K25-F27 VanDerWaalsContact O-CD2 3.32Å; K25-F27 WeakPolarHBondContact O-CD2 3.39Å; K25-F27 WeakPolarHBondContact O-CE2 3.49Å; K25-F27 PolarHBondContact O-N 3.2Å; K25-L141 HydrophobicContact CB-CD1 3.63Å; K25-I147 HydrophobicContact CB-CD1 4.09Å; K25-I147 HydrophobicContact CB-CG2 4.41Å; K25-I147 HydrophobicContact CD-CD1 4.19Å; K25-I147 HydrophobicContact CG-CD1 4.24Å; K25-I147 HydrophobicContact CG-CG2 4.35Å; K25-S375 WeakPolarHBondContact O-CB 3.18Å; K25-S375 PolarHBondContact O-OG 3Å |
| 26 | R | 97.7 | Very high | 97.1 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 9 | 169.7 | -69 | -179.6 | 171 | -82.6 | 1.3 | 113.3 | N22 E23 I24 R28 N139 L141 N379 A382 | N22-R26 WeakPolarHBondContact O-CG 3.28Å; N22-R26 PolarHBondContact O-N 3.5Å; E23-R26 CarbonylContact O-C 3.42Å; E23-R26 WeakPolarHBondContact O-CA 3.27Å; E23-R26 WeakPolarHBondContact O-CB 3.22Å; E23-R26 PolarHBondContact O-N 3.43Å; E23-R26 VanDerWaalsContact O-N 3.12Å; I24-R26 PolarHBondContact O-N 3.3Å; R26-R28 HydrophobicContact CB-CG 4.27Å; R26-R28 PolarHBondContact O-N 3.5Å; R26-N139 VanDerWaalsContact CZ-O 3.26Å; R26-N139 PolarHBondContact NE-O 3.35Å; R26-N139 PolarHBondContact NH2-O 2.88Å; R26-L141 HydrophobicContact CG-CD1 3.8Å; R26-L141 HydrophobicContact CG-CD2 4.07Å; R26-L141 HydrophobicContact CG-CG 3.98Å; R26-L141 VanDerWaalsContact CZ-CD2 3.47Å; R26-N379 PolarHBondContact NH1-O 2.98Å; R26-N379 VanDerWaalsContact NH1-O 3.15Å; R26-A382 PolarHBondContact NH2-O 3.5Å |
| 27 | F | 97.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 54.5 Ų | 54.5 | 45% | 0.447 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 35.6 | -177.1 | -63.2 | -92.2 | 0 | 0 | 0 | 113.4 | E23 I24 K25 I147 S148 N149 S375 | E23-F27 PolarHBondContact O-N 3.33Å; I24-F27 WeakPolarHBondContact O-CA 3.35Å; I24-F27 PolarHBondContact O-N 2.87Å; K25-F27 VanDerWaalsContact O-CD2 3.32Å; K25-F27 WeakPolarHBondContact O-CD2 3.39Å; K25-F27 WeakPolarHBondContact O-CE2 3.49Å; K25-F27 PolarHBondContact O-N 3.2Å; F27-I147 HydrophobicContact CE2-CG2 4.24Å; F27-I147 HydrophobicContact CZ-CG2 4.33Å; F27-S148 WeakPolarHBondContact CE2-O 3.36Å; F27-S148 VanDerWaalsContact CZ-C 3.42Å; F27-N149 HydrophobicContact CB-CB 4.26Å; F27-N149 WeakPolarHBondContact CB-OD1 3.17Å; F27-N149 HydrophobicContact CD1-CB 3.56Å; F27-N149 HydrophobicContact CD2-CB 3.71Å; F27-N149 HydrophobicContact CE1-CB 3.71Å; F27-N149 HydrophobicContact CE2-CB 3.89Å; F27-N149 HydrophobicContact CG-CB 3.55Å; F27-N149 WeakPolarHBondContact CG-OD1 3.17Å; F27-N149 HydrophobicContact CZ-CB 3.88Å; F27-S375 WeakPolarHBondContact CE2-OG 3.48Å |
| 28 | R | 93.5 | Very high | 97.1 | Very high | 60 Ų | 60 | 55 Ų | 55 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | trans | -113.3 | 159.9 | 175.1 | -60.4 | 168.5 | -173.5 | -158 | -2 | 109.8 | E23 I24 R26 E136 N380 | E23-R28 CarbonylContact C-O 3.35Å; E23-R28 HydrophobicContact CB-CB 4.24Å; E23-R28 WeakPolarHBondContact O-CA 3.46Å; E23-R28 WeakPolarHBondContact O-CB 3.5Å; E23-R28 PolarHBondContact O-N 3.02Å; E23-R28 WeakPolarHBondContact OE2-CD 3.43Å; I24-R28 WeakPolarHBondContact CA-O 3.48Å; R26-R28 HydrophobicContact CB-CG 4.27Å; R26-R28 PolarHBondContact O-N 3.5Å; R28-E136 PolarHBondContact NH1-O 3.5Å; R28-N380 PolarHBondContact NH1-OD1 3.19Å; R28-N380 PolarHBondContact NH2-OD1 2.95Å | ||
| 29 | G | 93.9 | Very high | 97.1 | Very high | 51 Ų | 51 | 51 Ų | 51 | 53% | 0.526 | 25% | 0.253 | S | S | . | . | trans | -81.7 | 157.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K31 | G29-K31 VanDerWaalsContact C-N 3.26Å; G29-K31 PolarHBondContact O-N 2.92Å | ||
| 30 | T | 96.8 | Very high | 97.1 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 25% | 0.252 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -12 | 177.9 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | R20 I24 R32 V33 D34 | R20-T30 HydrophobicContact CB-CG2 3.73Å; R20-T30 HydrophobicContact CG-CG2 3.89Å; I24-T30 HydrophobicContact CD1-CG2 3.82Å; I24-T30 HydrophobicContact CG1-CG2 3.89Å; T30-R32 PolarHBondContact O-N 3.1Å; T30-V33 WeakPolarHBondContact O-CA 3.49Å; T30-V33 VanDerWaalsContact O-CB 3.27Å; T30-V33 WeakPolarHBondContact O-CB 3.44Å; T30-V33 PolarHBondContact O-N 3.33Å; T30-D34 PolarHBondContact O-N 3.43Å; T30-D34 VanDerWaalsContact O-N 3.09Å; T30-D34 PolarHBondContact OG1-OD2 3.45Å; T30-D34 VanDerWaalsContact OG1-OD2 3.13Å |
| 31 | K | 97.1 | Very high | 97.1 | Very high | 153 Ų | 153 | 52.8 Ų | 52.8 | 67% | 0.665 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -49.9 | -39.9 | -172.2 | -175.7 | 179.1 | -179.7 | -179 | 0 | 113.7 | G29 D34 L35 | G29-K31 VanDerWaalsContact C-N 3.26Å; G29-K31 PolarHBondContact O-N 2.92Å; K31-D34 PolarHBondContact O-N 3.21Å; K31-L35 HydrophobicContact CG-CD1 4.07Å; K31-L35 HydrophobicContact CG-CG 4.38Å; K31-L35 WeakPolarHBondContact O-CB 3.27Å; K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.25Å; K31-L35 PolarHBondContact O-N 2.91Å |
| 32 | R | 95 | Very high | 97.1 | Very high | 90 Ų | 90 | 53 Ų | 53 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 178.8 | -64.7 | -170 | -176.2 | 114.4 | -3.8 | 112.1 | T30 D34 L36 I137 | T30-R32 PolarHBondContact O-N 3.1Å; R32-D34 VanDerWaalsContact C-N 3.33Å; R32-L36 VanDerWaalsContact O-CB 3.26Å; R32-L36 WeakPolarHBondContact O-CB 3.32Å; R32-L36 PolarHBondContact O-N 3.13Å; R32-I137 HydrophobicContact CB-CG1 4.2Å |
| 33 | V | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 175.5 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | F8 I19 R20 E23 T30 L36 L37 I137 | F8-V33 HydrophobicContact CD1-CG1 4.19Å; F8-V33 HydrophobicContact CE1-CG1 4.2Å; I19-V33 HydrophobicContact CB-CG1 4.34Å; I19-V33 HydrophobicContact CG2-CG1 4.25Å; I19-V33 HydrophobicContact CG2-CG2 3.94Å; R20-V33 HydrophobicContact CG-CB 4.27Å; R20-V33 HydrophobicContact CG-CG1 4Å; E23-V33 HydrophobicContact CG-CG2 3.98Å; T30-V33 WeakPolarHBondContact O-CA 3.49Å; T30-V33 VanDerWaalsContact O-CB 3.27Å; T30-V33 WeakPolarHBondContact O-CB 3.44Å; T30-V33 PolarHBondContact O-N 3.33Å; V33-L36 WeakPolarHBondContact O-CB 3.29Å; V33-L36 PolarHBondContact O-N 2.75Å; V33-L37 HydrophobicContact CG1-CD1 4.16Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.28Å; V33-L37 PolarHBondContact O-N 2.86Å; V33-I137 HydrophobicContact CG2-CD1 4.2Å |
| 34 | D | 97.7 | Very high | 97 | Very high | 58 Ų | 58 | 59.3 Ų | 59.3 | 31% | 0.31 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | -179.2 | -59.7 | -43 | 0 | 0 | 0 | 112 | R20 T30 K31 R32 L36 L37 E38 | R20-D34 IonicContact CZ-OD1 3.32Å; R20-D34 IonicContact NE-OD1 2.76Å; R20-D34 PolarHBondContact NE-OD1 2.89Å; R20-D34 IonicContact NH2-OD1 2.67Å; R20-D34 PolarHBondContact NH2-OD1 3.07Å; T30-D34 PolarHBondContact O-N 3.43Å; T30-D34 VanDerWaalsContact O-N 3.09Å; T30-D34 PolarHBondContact OG1-OD2 3.45Å; T30-D34 VanDerWaalsContact OG1-OD2 3.13Å; K31-D34 PolarHBondContact O-N 3.21Å; R32-D34 VanDerWaalsContact C-N 3.33Å; D34-L36 VanDerWaalsContact C-N 3.31Å; D34-L36 PolarHBondContact O-N 2.84Å; D34-L37 PolarHBondContact O-N 2.8Å; D34-E38 PolarHBondContact O-N 3.37Å |
| 35 | L | 97.5 | Very high | 97 | Very high | 63 Ų | 63 | 60.2 Ų | 60.2 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.6 | -37 | 174.4 | -72.4 | 174.5 | 0 | 0 | 0 | 112.4 | K31 A39 Q133 | K31-L35 HydrophobicContact CG-CD1 4.07Å; K31-L35 HydrophobicContact CG-CG 4.38Å; K31-L35 WeakPolarHBondContact O-CB 3.27Å; K31-L35 VanDerWaalsContact O-CG 3.31Å; K31-L35 WeakPolarHBondContact O-CG 3.25Å; K31-L35 PolarHBondContact O-N 2.91Å; L35-A39 VanDerWaalsContact O-CB 3.25Å; L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 3.38Å; L35-Q133 HydrophobicContact CB-CG 3.93Å |
| 36 | L | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 175.1 | -179 | 156.1 | 0 | 0 | 0 | 111.1 | L5 F8 R32 V33 D34 A39 D40 R130 Q133 L134 I137 | L5-L36 HydrophobicContact CD2-CD2 4.1Å; F8-L36 HydrophobicContact CB-CD2 4.29Å; F8-L36 HydrophobicContact CD1-CD1 4.48Å; F8-L36 HydrophobicContact CD1-CD2 3.75Å; F8-L36 HydrophobicContact CD2-CD2 4.49Å; F8-L36 HydrophobicContact CE1-CD1 4.05Å; F8-L36 HydrophobicContact CE1-CD2 4.14Å; F8-L36 HydrophobicContact CG-CD2 3.94Å; F8-L36 HydrophobicContact CZ-CD1 4.14Å; R32-L36 VanDerWaalsContact O-CB 3.26Å; R32-L36 WeakPolarHBondContact O-CB 3.32Å; R32-L36 PolarHBondContact O-N 3.13Å; V33-L36 WeakPolarHBondContact O-CB 3.29Å; V33-L36 PolarHBondContact O-N 2.75Å; D34-L36 VanDerWaalsContact C-N 3.31Å; D34-L36 PolarHBondContact O-N 2.84Å; L36-A39 PolarHBondContact O-N 3.43Å; L36-D40 WeakPolarHBondContact O-CB 3.38Å; L36-D40 PolarHBondContact O-N 3.2Å; L36-R130 HydrophobicContact CG-CG 4.33Å; L36-Q133 HydrophobicContact CB-CB 3.84Å; L36-Q133 HydrophobicContact CD1-CB 4.42Å; L36-L134 HydrophobicContact CD1-CB 3.66Å; L36-L134 HydrophobicContact CD1-CD1 3.74Å; L36-L134 HydrophobicContact CD1-CG 4.26Å; L36-I137 HydrophobicContact CB-CD1 4.43Å; L36-I137 HydrophobicContact CD1-CD1 3.6Å |
| 37 | L | 97.5 | Very high | 96.9 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | -179.3 | -74.2 | 168.6 | 0 | 0 | 0 | 111.5 | F8 P16 V33 D34 D40 E41 | F8-L37 HydrophobicContact CB-CD2 3.85Å; F8-L37 WeakPolarHBondContact O-CD2 3.4Å; P16-L37 HydrophobicContact CB-CD1 3.75Å; P16-L37 HydrophobicContact CB-CD2 4.18Å; P16-L37 HydrophobicContact CG-CD1 4.47Å; V33-L37 HydrophobicContact CG1-CD1 4.16Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.28Å; V33-L37 PolarHBondContact O-N 2.86Å; D34-L37 PolarHBondContact O-N 2.8Å; L37-D40 PolarHBondContact O-N 3.18Å; L37-E41 WeakPolarHBondContact O-CB 3.38Å; L37-E41 PolarHBondContact O-N 3.06Å |
| 38 | E | 97.8 | Very high | 96.8 | Very high | 115 Ų | 115 | 64.2 Ų | 64.2 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 175.8 | -177.7 | 180 | -176.9 | 0 | 0 | 111.2 | D34 D40 E41 N42 | D34-E38 PolarHBondContact O-N 3.37Å; E38-D40 PolarHBondContact O-N 3.03Å; E38-E41 PolarHBondContact O-N 2.81Å; E38-N42 WeakPolarHBondContact O-CB 3.34Å; E38-N42 PolarHBondContact O-N 2.94Å; E38-N42 PolarHBondContact O-ND2 2.85Å |
| 39 | A | 97.6 | Very high | 97 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L35 L36 W43 V129 R130 | L35-A39 VanDerWaalsContact O-CB 3.25Å; L35-A39 WeakPolarHBondContact O-CB 3.47Å; L35-A39 PolarHBondContact O-N 3.38Å; L36-A39 PolarHBondContact O-N 3.43Å; A39-W43 WeakPolarHBondContact O-CB 3.33Å; A39-W43 PolarHBondContact O-N 3.2Å; A39-V129 HydrophobicContact CB-CB 4.13Å; A39-V129 HydrophobicContact CB-CG1 3.84Å; A39-R130 HydrophobicContact CB-CB 3.97Å |
| 40 | D | 97.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 177 | -171.8 | 71.9 | 0 | 0 | 0 | 112.3 | R9 L36 L37 E38 W43 R44 R130 | R9-D40 IonicContact CZ-OD1 2.83Å; R9-D40 IonicContact CZ-OD2 3.42Å; R9-D40 IonicContact NE-OD1 3.09Å; R9-D40 IonicContact NE-OD2 3.75Å; R9-D40 PolarHBondContact NE-OD2 2.82Å; R9-D40 IonicContact NH2-OD1 3.33Å; R9-D40 PolarHBondContact NH2-OD1 3.05Å; R9-D40 IonicContact NH2-OD2 2.71Å; R9-D40 PolarHBondContact NH2-OD2 2.82Å; L36-D40 WeakPolarHBondContact O-CB 3.38Å; L36-D40 PolarHBondContact O-N 3.2Å; L37-D40 PolarHBondContact O-N 3.18Å; E38-D40 PolarHBondContact O-N 3.03Å; D40-W43 PolarHBondContact O-N 3.48Å; D40-R44 WeakPolarHBondContact O-CB 3.43Å; D40-R44 VanDerWaalsContact O-CG 3.31Å; D40-R44 WeakPolarHBondContact O-CG 3.42Å; D40-R44 PolarHBondContact O-N 3.37Å; D40-R44 IonicContact OD2-CZ 2.64Å; D40-R44 IonicContact OD2-NE 3.22Å; D40-R44 PolarHBondContact OD2-NE 3.47Å; D40-R44 IonicContact OD2-NH2 3.98Å; D40-R130 HydrophobicContact CB-CG 4.24Å; D40-R130 WeakPolarHBondContact OD1-CD 3.4Å; D40-R130 IonicContact OD1-CZ 2.94Å; D40-R130 IonicContact OD1-NE 2.67Å; D40-R130 IonicContact OD1-NH1 3.64Å; D40-R130 PolarHBondContact OD1-NH1 2.98Å |
| 41 | E | 97.4 | Very high | 97.1 | Very high | 87 Ų | 87 | 64.4 Ų | 64.4 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -47.5 | 175.1 | -172.4 | -178.4 | 163.9 | 0 | 0 | 111.6 | L37 E38 W43 R44 K45 | L37-E41 WeakPolarHBondContact O-CB 3.38Å; L37-E41 PolarHBondContact O-N 3.06Å; E38-E41 PolarHBondContact O-N 2.81Å; E41-W43 VanDerWaalsContact C-N 3.35Å; E41-W43 PolarHBondContact O-N 3.22Å; E41-R44 PolarHBondContact O-N 3.12Å; E41-K45 HydrophobicContact CG-CD 4.46Å; E41-K45 WeakPolarHBondContact O-CG 3.2Å; E41-K45 PolarHBondContact O-N 3.07Å; E41-K45 WeakPolarHBondContact OE1-CE 3.41Å; E41-K45 IonicContact OE1-NZ 3.69Å; E41-K45 PolarHBondContact OE1-NZ 3.16Å |
| 42 | N | 98.1 | Very high | 97 | Very high | 44 Ų | 44 | 58.4 Ų | 58.4 | 24% | 0.235 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 178 | -71.9 | -26.9 | 0 | 0 | 0 | 111.9 | E38 K45 A46 F126 | E38-N42 WeakPolarHBondContact O-CB 3.34Å; E38-N42 PolarHBondContact O-N 2.94Å; E38-N42 PolarHBondContact O-ND2 2.85Å; N42-K45 PolarHBondContact O-N 2.88Å; N42-A46 WeakPolarHBondContact O-CB 3.48Å; N42-A46 PolarHBondContact O-N 3.43Å; N42-F126 HydrophobicContact CB-CD1 3.81Å; N42-F126 HydrophobicContact CB-CD2 3.73Å; N42-F126 HydrophobicContact CB-CE1 3.74Å; N42-F126 HydrophobicContact CB-CE2 3.65Å; N42-F126 HydrophobicContact CB-CG 3.82Å; N42-F126 HydrophobicContact CB-CZ 3.67Å |
| 43 | W | 97.9 | Very high | 97.1 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 172.9 | -178.8 | 86.6 | 0 | 0 | 0 | 111.8 | A39 D40 E41 A46 R47 F126 R130 | A39-W43 WeakPolarHBondContact O-CB 3.33Å; A39-W43 PolarHBondContact O-N 3.2Å; D40-W43 PolarHBondContact O-N 3.48Å; E41-W43 VanDerWaalsContact C-N 3.35Å; E41-W43 PolarHBondContact O-N 3.22Å; W43-A46 PolarHBondContact O-N 3.21Å; W43-R47 WeakPolarHBondContact O-CB 2.95Å; W43-R47 PolarHBondContact O-N 3.3Å; W43-F126 HydrophobicContact CB-CB 3.74Å; W43-F126 HydrophobicContact CG-CB 4.49Å; W43-R130 VanDerWaalsContact CD2-NH1 3.32Å |
| 44 | R | 96 | Very high | 97 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.5 | -74.4 | -176 | -69.6 | 122.6 | 3.7 | 111.8 | D40 E41 R47 F48 | D40-R44 WeakPolarHBondContact O-CB 3.43Å; D40-R44 VanDerWaalsContact O-CG 3.31Å; D40-R44 WeakPolarHBondContact O-CG 3.42Å; D40-R44 PolarHBondContact O-N 3.37Å; D40-R44 IonicContact OD2-CZ 2.64Å; D40-R44 IonicContact OD2-NE 3.22Å; D40-R44 PolarHBondContact OD2-NE 3.47Å; D40-R44 IonicContact OD2-NH2 3.98Å; E41-R44 PolarHBondContact O-N 3.12Å; R44-R47 PolarHBondContact O-N 2.83Å; R44-F48 PolarHBondContact O-N 3.36Å |
| 45 | K | 96.9 | Very high | 97 | Very high | 114 Ų | 114 | 60.3 Ų | 60.3 | 50% | 0.496 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.3 | -72.7 | 173 | -175.5 | 164.7 | 0 | 111.5 | E41 N42 R47 F48 R49 | E41-K45 HydrophobicContact CG-CD 4.46Å; E41-K45 WeakPolarHBondContact O-CG 3.2Å; E41-K45 PolarHBondContact O-N 3.07Å; E41-K45 WeakPolarHBondContact OE1-CE 3.41Å; E41-K45 IonicContact OE1-NZ 3.69Å; E41-K45 PolarHBondContact OE1-NZ 3.16Å; N42-K45 PolarHBondContact O-N 2.88Å; K45-R47 VanDerWaalsContact C-N 3.3Å; K45-R47 PolarHBondContact O-N 2.97Å; K45-F48 PolarHBondContact O-N 3.38Å; K45-R49 WeakPolarHBondContact O-CB 3.06Å; K45-R49 PolarHBondContact O-N 3.29Å |
| 46 | A | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | N42 W43 R49 A50 N119 F122 V123 F126 | N42-A46 WeakPolarHBondContact O-CB 3.48Å; N42-A46 PolarHBondContact O-N 3.43Å; W43-A46 PolarHBondContact O-N 3.21Å; A46-R49 PolarHBondContact O-N 3.43Å; A46-A50 PolarHBondContact O-N 3.1Å; A46-N119 PolarHBondContact O-ND2 2.96Å; A46-N119 PolarHBondContact O-OD1 2.69Å; A46-F122 HydrophobicContact CB-CB 4.46Å; A46-V123 HydrophobicContact CB-CG2 3.66Å; A46-F126 HydrophobicContact CB-CD2 4.31Å |
| 47 | R | 96.6 | Very high | 96.7 | Very high | 129 Ų | 129 | 60.5 Ų | 60.5 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -46.2 | 175.7 | -169.9 | 65 | -177.2 | -178.8 | 2 | 112 | W43 R44 K45 R49 A50 D51 | W43-R47 WeakPolarHBondContact O-CB 2.95Å; W43-R47 PolarHBondContact O-N 3.3Å; R44-R47 PolarHBondContact O-N 2.83Å; K45-R47 VanDerWaalsContact C-N 3.3Å; K45-R47 PolarHBondContact O-N 2.97Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 3.26Å; R47-A50 WeakPolarHBondContact O-CB 3.29Å; R47-A50 PolarHBondContact O-N 3.28Å; R47-D51 PolarHBondContact O-N 3.16Å |
| 48 | F | 96.2 | Very high | 96.7 | Very high | 151 Ų | 151 | 63.2 Ų | 63.2 | 66% | 0.662 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.4 | -42.6 | 174.6 | -179 | -96.4 | 0 | 0 | 0 | 111.8 | R44 K45 A50 D51 H52 | R44-F48 PolarHBondContact O-N 3.36Å; K45-F48 PolarHBondContact O-N 3.38Å; F48-A50 VanDerWaalsContact C-N 3.32Å; F48-A50 PolarHBondContact O-N 2.94Å; F48-D51 PolarHBondContact O-N 3.37Å; F48-H52 PolarHBondContact O-N 3.22Å |
| 49 | R | 97 | Very high | 96.5 | Very high | 46 Ų | 46 | 59 Ų | 59 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 175 | -173.4 | 172.1 | -173.9 | -115.4 | -0.3 | 112.1 | K45 A46 R47 D51 H52 L53 D90 E115 N119 | K45-R49 WeakPolarHBondContact O-CB 3.06Å; K45-R49 PolarHBondContact O-N 3.29Å; A46-R49 PolarHBondContact O-N 3.43Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 3.26Å; R49-D51 PolarHBondContact O-N 3Å; R49-H52 PolarHBondContact O-N 3.48Å; R49-L53 HydrophobicContact CG-CD1 4.12Å; R49-L53 HydrophobicContact CG-CG 4.25Å; R49-L53 WeakPolarHBondContact O-CB 3.29Å; R49-L53 VanDerWaalsContact O-CG 3.29Å; R49-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 2.84Å; R49-D90 IonicContact CZ-OD1 3.8Å; R49-D90 IonicContact NE-OD1 3.19Å; R49-D90 PolarHBondContact NE-OD1 2.79Å; R49-D90 IonicContact NE-OD2 3.45Å; R49-D90 PolarHBondContact NE-OD2 3.12Å; R49-D90 IonicContact NH2-OD1 3.9Å; R49-E115 IonicContact CZ-OE2 2.62Å; R49-E115 IonicContact NH1-OE2 2.81Å; R49-E115 PolarHBondContact NH1-OE2 3.3Å; R49-E115 IonicContact NH2-OE2 3.74Å; R49-E115 PolarHBondContact NH2-OE2 2.99Å; R49-N119 WeakPolarHBondContact CD-OD1 3.38Å |
| 50 | A | 96.5 | Very high | 96.4 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A46 R47 F48 H52 N54 N119 | A46-A50 PolarHBondContact O-N 3.1Å; R47-A50 WeakPolarHBondContact O-CB 3.29Å; R47-A50 PolarHBondContact O-N 3.28Å; F48-A50 VanDerWaalsContact C-N 3.32Å; F48-A50 PolarHBondContact O-N 2.94Å; A50-H52 VanDerWaalsContact C-N 3.34Å; A50-N54 WeakPolarHBondContact O-CB 3.47Å; A50-N54 PolarHBondContact O-N 3.07Å; A50-N54 VanDerWaalsContact O-N 3.09Å; A50-N54 PolarHBondContact O-ND2 2.82Å; A50-N54 VanDerWaalsContact O-ND2 3.12Å; A50-N119 WeakPolarHBondContact CB-ND2 3.33Å; A50-N119 PolarHBondContact N-ND2 3.07Å |
| 51 | D | 95.9 | Very high | 96.2 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 177.5 | -67.3 | -24.1 | 0 | 0 | 0 | 111.3 | R47 F48 R49 K55 | R47-D51 PolarHBondContact O-N 3.16Å; F48-D51 PolarHBondContact O-N 3.37Å; R49-D51 PolarHBondContact O-N 3Å; D51-K55 WeakPolarHBondContact O-CB 3.4Å; D51-K55 PolarHBondContact O-N 2.88Å |
| 52 | H | 96.4 | Very high | 96.1 | Very high | 26 Ų | 26 | 63.2 Ų | 63.2 | 12% | 0.12 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 175.3 | -177.5 | 69.5 | 0 | 0 | 0 | 112.7 | F48 R49 A50 N54 K55 V56 L89 D90 L92 | F48-H52 PolarHBondContact O-N 3.22Å; R49-H52 PolarHBondContact O-N 3.48Å; A50-H52 VanDerWaalsContact C-N 3.34Å; H52-N54 VanDerWaalsContact C-N 3.31Å; H52-N54 PolarHBondContact O-N 3.31Å; H52-K55 WeakPolarHBondContact O-CA 3.44Å; H52-K55 WeakPolarHBondContact O-CB 3.24Å; H52-K55 PolarHBondContact O-N 3.03Å; H52-V56 WeakPolarHBondContact NE2-CG2 3.15Å; H52-V56 WeakPolarHBondContact O-CG2 3.3Å; H52-V56 PolarHBondContact O-N 2.84Å; H52-L89 PolarHBondContact NE2-O 2.9Å; H52-D90 PolarHBondContact NE2-O 3.26Å; H52-L92 PolarHBondContact CE1-O 3.14Å; H52-L92 VanDerWaalsContact CE1-O 3.28Å |
| 53 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 177.1 | -70.7 | 173.8 | 0 | 0 | 0 | 111.7 | R49 K55 V56 K57 L89 I112 E115 N119 | R49-L53 HydrophobicContact CG-CD1 4.12Å; R49-L53 HydrophobicContact CG-CG 4.25Å; R49-L53 WeakPolarHBondContact O-CB 3.29Å; R49-L53 VanDerWaalsContact O-CG 3.29Å; R49-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 2.84Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.23Å; L53-V56 PolarHBondContact O-N 2.96Å; L53-K57 WeakPolarHBondContact O-CB 3.19Å; L53-K57 PolarHBondContact O-N 3.03Å; L53-L89 HydrophobicContact CD2-CD1 3.98Å; L53-L89 HydrophobicContact CD2-CD2 3.69Å; L53-L89 HydrophobicContact CD2-CG 3.79Å; L53-I112 HydrophobicContact CB-CG2 4.42Å; L53-I112 HydrophobicContact CD2-CG2 4.44Å; L53-E115 HydrophobicContact CD1-CB 4.28Å; L53-E115 HydrophobicContact CD2-CB 4.41Å; L53-N119 HydrophobicContact CD1-CB 4.16Å |
| 54 | N | 95.8 | Very high | 95.6 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 174.2 | -78.6 | -36.7 | 0 | 0 | 0 | 112.2 | A50 H52 N58 | A50-N54 WeakPolarHBondContact O-CB 3.47Å; A50-N54 PolarHBondContact O-N 3.07Å; A50-N54 VanDerWaalsContact O-N 3.09Å; A50-N54 PolarHBondContact O-ND2 2.82Å; A50-N54 VanDerWaalsContact O-ND2 3.12Å; H52-N54 VanDerWaalsContact C-N 3.31Å; H52-N54 PolarHBondContact O-N 3.31Å; N54-N58 VanDerWaalsContact O-CG 3.26Å; N54-N58 PolarHBondContact O-N 3.35Å; N54-N58 VanDerWaalsContact O-N 3.09Å; N54-N58 PolarHBondContact O-ND2 3.08Å; N54-N58 VanDerWaalsContact O-ND2 3.14Å |
| 55 | K | 96.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 176.1 | -176 | -177.4 | 176.8 | -175.5 | 0 | 111.5 | D51 H52 L53 K57 N58 F59 | D51-K55 WeakPolarHBondContact O-CB 3.4Å; D51-K55 PolarHBondContact O-N 2.88Å; H52-K55 WeakPolarHBondContact O-CA 3.44Å; H52-K55 WeakPolarHBondContact O-CB 3.24Å; H52-K55 PolarHBondContact O-N 3.03Å; L53-K55 VanDerWaalsContact C-N 3.32Å; L53-K55 PolarHBondContact O-N 3.23Å; K55-K57 PolarHBondContact O-N 3.47Å; K55-N58 WeakPolarHBondContact O-CB 3.21Å; K55-N58 PolarHBondContact O-N 2.98Å; K55-F59 HydrophobicContact CD-CE2 4.08Å; K55-F59 HydrophobicContact CD-CZ 4.13Å; K55-F59 HydrophobicContact CG-CD2 4.29Å; K55-F59 HydrophobicContact CG-CE1 4.41Å; K55-F59 HydrophobicContact CG-CE2 3.61Å; K55-F59 HydrophobicContact CG-CZ 3.69Å; K55-F59 WeakPolarHBondContact O-CD2 3.23Å; K55-F59 WeakPolarHBondContact O-CG 3.12Å; K55-F59 PolarHBondContact O-N 3.27Å |
| 56 | V | 95.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | H52 L53 N58 F59 C60 L89 L92 I112 | H52-V56 WeakPolarHBondContact NE2-CG2 3.15Å; H52-V56 WeakPolarHBondContact O-CG2 3.3Å; H52-V56 PolarHBondContact O-N 2.84Å; L53-V56 PolarHBondContact O-N 2.96Å; V56-N58 VanDerWaalsContact C-N 3.31Å; V56-N58 PolarHBondContact O-N 3.36Å; V56-F59 WeakPolarHBondContact O-CB 3.47Å; V56-F59 PolarHBondContact O-N 3.11Å; V56-F59 VanDerWaalsContact O-N 3.13Å; V56-C60 PolarHBondContact O-N 3.45Å; V56-C60 PolarHBondContact O-SG 3.23Å; V56-L89 HydrophobicContact CG1-CD1 4.23Å; V56-L92 HydrophobicContact CG1-CB 4.29Å; V56-L92 HydrophobicContact CG1-CD1 4.06Å; V56-L92 HydrophobicContact CG2-CB 4.08Å; V56-I112 HydrophobicContact CB-CD1 4.42Å; V56-I112 HydrophobicContact CG1-CD1 3.7Å |
| 57 | K | 94.9 | Very high | 94.8 | Very high | 67 Ų | 67 | 59.2 Ų | 59.2 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 174.1 | -173.4 | 173.8 | 177.7 | 174.2 | 0 | 112.2 | L53 K55 F59 C60 S61 I112 D113 | L53-K57 WeakPolarHBondContact O-CB 3.19Å; L53-K57 PolarHBondContact O-N 3.03Å; K55-K57 PolarHBondContact O-N 3.47Å; K57-F59 VanDerWaalsContact C-N 3.34Å; K57-C60 WeakPolarHBondContact O-CB 3.25Å; K57-C60 PolarHBondContact O-N 3.03Å; K57-S61 PolarHBondContact O-N 3.15Å; K57-S61 PolarHBondContact O-OG 2.88Å; K57-I112 HydrophobicContact CB-CG2 4Å; K57-D113 VanDerWaalsContact CE-OD1 3.28Å; K57-D113 WeakPolarHBondContact CE-OD1 3.23Å; K57-D113 IonicContact NZ-OD1 2.94Å; K57-D113 PolarHBondContact NZ-OD1 3.4Å; K57-D113 IonicContact NZ-OD2 2.84Å |
| 58 | N | 95.7 | Very high | 94.4 | Very high | 95 Ų | 95 | 57.6 Ų | 57.6 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.6 | -73.5 | -30.9 | 0 | 0 | 0 | 111.9 | N54 K55 V56 S61 K62 | N54-N58 VanDerWaalsContact O-CG 3.26Å; N54-N58 PolarHBondContact O-N 3.35Å; N54-N58 VanDerWaalsContact O-N 3.09Å; N54-N58 PolarHBondContact O-ND2 3.08Å; N54-N58 VanDerWaalsContact O-ND2 3.14Å; K55-N58 WeakPolarHBondContact O-CB 3.21Å; K55-N58 PolarHBondContact O-N 2.98Å; V56-N58 VanDerWaalsContact C-N 3.31Å; V56-N58 PolarHBondContact O-N 3.36Å; N58-S61 PolarHBondContact O-N 2.67Å; N58-K62 WeakPolarHBondContact O-CG 3.18Å; N58-K62 PolarHBondContact O-N 3.22Å |
| 59 | F | 95.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 11% | 0.114 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 172.9 | -61.7 | -35.8 | 0 | 0 | 0 | 112.2 | K55 V56 K57 S61 K62 T63 E94 L97 | K55-F59 HydrophobicContact CD-CE2 4.08Å; K55-F59 HydrophobicContact CD-CZ 4.13Å; K55-F59 HydrophobicContact CG-CD2 4.29Å; K55-F59 HydrophobicContact CG-CE1 4.41Å; K55-F59 HydrophobicContact CG-CE2 3.61Å; K55-F59 HydrophobicContact CG-CZ 3.69Å; K55-F59 WeakPolarHBondContact O-CD2 3.23Å; K55-F59 WeakPolarHBondContact O-CG 3.12Å; K55-F59 PolarHBondContact O-N 3.27Å; V56-F59 WeakPolarHBondContact O-CB 3.47Å; V56-F59 PolarHBondContact O-N 3.11Å; V56-F59 VanDerWaalsContact O-N 3.13Å; K57-F59 VanDerWaalsContact C-N 3.34Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 2.8Å; F59-K62 PolarHBondContact O-N 2.91Å; F59-T63 WeakPolarHBondContact O-CB 3.47Å; F59-T63 PolarHBondContact O-N 3.45Å; F59-T63 PolarHBondContact O-OG1 3.23Å; F59-E94 HydrophobicContact CB-CB 4.46Å; F59-E94 HydrophobicContact CB-CG 4.39Å; F59-E94 HydrophobicContact CD1-CB 3.9Å; F59-E94 HydrophobicContact CD1-CG 3.97Å; F59-E94 HydrophobicContact CD2-CB 4.02Å; F59-E94 HydrophobicContact CE1-CB 4Å; F59-E94 HydrophobicContact CE1-CG 4.37Å; F59-E94 HydrophobicContact CE2-CB 4.1Å; F59-E94 HydrophobicContact CG-CB 3.92Å; F59-E94 HydrophobicContact CG-CG 4.18Å; F59-E94 HydrophobicContact CZ-CB 4.08Å; F59-L97 HydrophobicContact CB-CD1 3.46Å; F59-L97 VanDerWaalsContact CB-CD1 3.46Å |
| 60 | C | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | V56 K57 K62 T63 I64 | V56-C60 PolarHBondContact O-N 3.45Å; V56-C60 PolarHBondContact O-SG 3.23Å; K57-C60 WeakPolarHBondContact O-CB 3.25Å; K57-C60 PolarHBondContact O-N 3.03Å; C60-K62 PolarHBondContact O-N 2.72Å; C60-T63 PolarHBondContact O-N 3.38Å; C60-I64 WeakPolarHBondContact O-CB 3.38Å; C60-I64 WeakPolarHBondContact O-CD1 3.49Å; C60-I64 WeakPolarHBondContact O-CG1 3.47Å; C60-I64 PolarHBondContact O-N 3.15Å |
| 61 | S | 94.5 | Very high | 92.8 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 41% | 0.413 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | -178.8 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | K57 N58 F59 A65 | K57-S61 PolarHBondContact O-N 3.15Å; K57-S61 PolarHBondContact O-OG 2.88Å; N58-S61 PolarHBondContact O-N 2.67Å; F59-S61 VanDerWaalsContact C-N 3.3Å; F59-S61 PolarHBondContact O-N 2.8Å; S61-A65 WeakPolarHBondContact O-CB 3.24Å; S61-A65 PolarHBondContact O-N 2.78Å; S61-A65 VanDerWaalsContact O-N 3.07Å |
| 62 | K | 94.5 | Very high | 91.7 | Very high | 126 Ų | 126 | 69.2 Ų | 69.2 | 55% | 0.548 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.3 | -74.2 | 175.9 | -179.2 | 179.9 | 0 | 112.3 | N58 F59 C60 A65 K66 | N58-K62 WeakPolarHBondContact O-CG 3.18Å; N58-K62 PolarHBondContact O-N 3.22Å; F59-K62 PolarHBondContact O-N 2.91Å; C60-K62 PolarHBondContact O-N 2.72Å; K62-A65 PolarHBondContact O-N 3.14Å; K62-K66 WeakPolarHBondContact O-CB 3.4Å; K62-K66 PolarHBondContact O-N 3.18Å |
| 63 | T | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | -179.7 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | F59 C60 K66 K67 L105 | F59-T63 WeakPolarHBondContact O-CB 3.47Å; F59-T63 PolarHBondContact O-N 3.45Å; F59-T63 PolarHBondContact O-OG1 3.23Å; C60-T63 PolarHBondContact O-N 3.38Å; T63-K66 PolarHBondContact O-N 2.93Å; T63-K67 HydrophobicContact CG2-CD 4.37Å; T63-K67 HydrophobicContact CG2-CG 4.5Å; T63-K67 WeakPolarHBondContact O-CB 3.36Å; T63-K67 WeakPolarHBondContact O-CG 3.42Å; T63-K67 PolarHBondContact O-N 3.46Å; T63-L105 HydrophobicContact CG2-CD1 3.63Å |
| 64 | I | 92.2 | Very high | 88.7 | Confident | 26 Ų | 26 | 76.1 Ų | 76.1 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 173.1 | -70.1 | 165.7 | 0 | 0 | 0 | 110.4 | C60 K66 K67 I68 V102 L105 K106 | C60-I64 WeakPolarHBondContact O-CB 3.38Å; C60-I64 WeakPolarHBondContact O-CD1 3.49Å; C60-I64 WeakPolarHBondContact O-CG1 3.47Å; C60-I64 PolarHBondContact O-N 3.15Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.15Å; I64-K67 PolarHBondContact O-N 3.32Å; I64-I68 HydrophobicContact CG2-CD1 3.63Å; I64-I68 HydrophobicContact CG2-CG1 4.35Å; I64-I68 WeakPolarHBondContact O-CG1 3.35Å; I64-I68 PolarHBondContact O-N 3.49Å; I64-V102 HydrophobicContact CG2-CG1 4.42Å; I64-L105 HydrophobicContact CD1-CB 3.84Å; I64-L105 HydrophobicContact CG1-CB 3.55Å; I64-L105 HydrophobicContact CG1-CD1 3.95Å; I64-L105 HydrophobicContact CG1-CG 4.36Å; I64-K106 HydrophobicContact CD1-CG 4.23Å |
| 65 | A | 92.1 | Very high | 87.1 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 50% | 0.504 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S61 K62 K69 | S61-A65 WeakPolarHBondContact O-CB 3.24Å; S61-A65 PolarHBondContact O-N 2.78Å; S61-A65 VanDerWaalsContact O-N 3.07Å; K62-A65 PolarHBondContact O-N 3.14Å; A65-K69 WeakPolarHBondContact O-CB 3.16Å; A65-K69 PolarHBondContact O-N 2.96Å; A65-K69 VanDerWaalsContact O-N 3.08Å |
| 66 | K | 91.8 | Very high | 86 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 46% | 0.457 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.5 | -176 | -177.4 | 174.2 | -171.2 | 0 | 111.9 | K62 T63 I64 K69 E70 | K62-K66 WeakPolarHBondContact O-CB 3.4Å; K62-K66 PolarHBondContact O-N 3.18Å; T63-K66 PolarHBondContact O-N 2.93Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.15Å; K66-K69 PolarHBondContact O-N 3.13Å; K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 WeakPolarHBondContact O-CG 3.34Å; K66-E70 PolarHBondContact O-N 2.9Å |
| 67 | K | 90.5 | Very high | 85.3 | Confident | 25 Ų | 25 | 83.1 Ų | 83.1 | 11% | 0.109 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | -178.8 | -73.8 | -169.4 | -176.8 | -133 | 0 | 112.9 | T63 I64 E70 N71 K72 Q98 L100 V102 L105 | T63-K67 HydrophobicContact CG2-CD 4.37Å; T63-K67 HydrophobicContact CG2-CG 4.5Å; T63-K67 WeakPolarHBondContact O-CB 3.36Å; T63-K67 WeakPolarHBondContact O-CG 3.42Å; T63-K67 PolarHBondContact O-N 3.46Å; I64-K67 PolarHBondContact O-N 3.32Å; K67-E70 PolarHBondContact O-N 3.4Å; K67-N71 PolarHBondContact O-N 2.89Å; K67-K72 PolarHBondContact O-N 2.75Å; K67-K72 VanDerWaalsContact O-N 3.11Å; K67-Q98 PolarHBondContact NZ-O 3.45Å; K67-L100 WeakPolarHBondContact CE-O 3.34Å; K67-L100 PolarHBondContact NZ-O 2.64Å; K67-V102 HydrophobicContact CB-CG2 3.76Å; K67-V102 HydrophobicContact CD-CG2 4.38Å; K67-L105 HydrophobicContact CD-CD1 4.23Å |
| 68 | I | 88.6 | Confident | 84.7 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 173 | -68.7 | 172 | 0 | 0 | 0 | 110.5 | I64 E70 N71 | I64-I68 HydrophobicContact CG2-CD1 3.63Å; I64-I68 HydrophobicContact CG2-CG1 4.35Å; I64-I68 WeakPolarHBondContact O-CG1 3.35Å; I64-I68 PolarHBondContact O-N 3.49Å; I68-E70 VanDerWaalsContact C-N 3.26Å; I68-E70 PolarHBondContact O-N 3.38Å; I68-N71 PolarHBondContact O-N 3.42Å; I68-N71 VanDerWaalsContact O-N 3.15Å |
| 69 | K | 89.3 | Confident | 84.2 | Confident | 191 Ų | 191 | 81.6 Ų | 81.6 | 83% | 0.83 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62 | -33.4 | 177.1 | -174.6 | 180 | 178.3 | -177.9 | 0 | 112.8 | A65 K66 N71 | A65-K69 WeakPolarHBondContact O-CB 3.16Å; A65-K69 PolarHBondContact O-N 2.96Å; A65-K69 VanDerWaalsContact O-N 3.08Å; K66-K69 PolarHBondContact O-N 3.13Å; K69-N71 VanDerWaalsContact C-N 3.33Å |
| 70 | E | 87.6 | Confident | 83.8 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 40% | 0.402 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.1 | 178.4 | -69.7 | 179.8 | -159.8 | 0 | 0 | 113.9 | K66 K67 I68 K72 | K66-E70 WeakPolarHBondContact CE-OE1 3.36Å; K66-E70 WeakPolarHBondContact O-CG 3.34Å; K66-E70 PolarHBondContact O-N 2.9Å; K67-E70 PolarHBondContact O-N 3.4Å; I68-E70 VanDerWaalsContact C-N 3.26Å; I68-E70 PolarHBondContact O-N 3.38Å; E70-K72 HydrophobicContact CB-CD 4.19Å; E70-K72 HydrophobicContact CB-CG 4.18Å; E70-K72 PolarHBondContact O-N 2.84Å; E70-K72 WeakPolarHBondContact OE2-CE 3.35Å; E70-K72 IonicContact OE2-NZ 2.78Å; E70-K72 PolarHBondContact OE2-NZ 2.97Å |
| 71 | N | 78.5 | Confident | 83.4 | Confident | 152 Ų | 152 | 89 Ų | 89 | 81% | 0.813 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.6 | -171.1 | -80.2 | -22.2 | 0 | 0 | 0 | 113 | K67 I68 K69 | K67-N71 PolarHBondContact O-N 2.89Å; I68-N71 PolarHBondContact O-N 3.42Å; I68-N71 VanDerWaalsContact O-N 3.15Å; K69-N71 VanDerWaalsContact C-N 3.33Å |
| 72 | K | 73.2 | Confident | 83.1 | Confident | 122 Ų | 122 | 87 Ų | 87 | 53% | 0.53 | 46% | 0.455 | S | S | . | . | trans | -109.1 | 100.5 | 174.9 | -69 | 177.4 | -172.4 | 160.1 | 0 | 108.7 | K67 E70 G74 | K67-K72 PolarHBondContact O-N 2.75Å; K67-K72 VanDerWaalsContact O-N 3.11Å; E70-K72 HydrophobicContact CB-CD 4.19Å; E70-K72 HydrophobicContact CB-CG 4.18Å; E70-K72 PolarHBondContact O-N 2.84Å; E70-K72 WeakPolarHBondContact OE2-CE 3.35Å; E70-K72 IonicContact OE2-NZ 2.78Å; E70-K72 PolarHBondContact OE2-NZ 2.97Å; K72-G74 PolarHBondContact O-N 3.28Å | ||
| 73 | D | 65.6 | Low | 82.9 | Confident | 135 Ų | 135 | 84.2 Ų | 84.2 | 72% | 0.722 | 45% | 0.446 | S | S | * | . | trans | -64.1 | -17.3 | 172.6 | -75.1 | -37.9 | 0 | 0 | 0 | 112.2 | V102 | D73-V102 PolarHBondContact O-N 3.15Š| ||
| 74 | G | 63.4 | Low | 82.7 | Confident | 37 Ų | 37 | 87.8 Ų | 87.8 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | trans | 83.7 | -178.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K72 | K72-G74 PolarHBondContact O-N 3.28Š| ||
| 75 | P | 63.8 | Low | 82.6 | Confident | 82 Ų | 82 | 86.6 Ų | 86.6 | 53% | 0.532 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -63.4 | 163.3 | 173.8 | 27.8 | -33.1 | 0 | 0 | 0 | 111.3 | ||
| 76 | D | 73 | Confident | 82.5 | Confident | 154 Ų | 154 | 86.3 Ų | 86.3 | 82% | 0.824 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -50.6 | 156.8 | 167.2 | -76.1 | -30 | 0 | 0 | 0 | 110.6 | D78 | D76-D78 PolarHBondContact O-N 2.8Š|
| 77 | F | 80.1 | Confident | 82.4 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 43% | 0.434 | 46% | 0.459 | S | S | . | . | trans | -61.7 | 99.9 | -177.9 | -167.3 | -79.4 | 0 | 0 | 0 | 111 | S79 F82 A103 Q104 | F77-S79 PolarHBondContact O-N 2.91Å; F77-F82 HydrophobicContact CE1-CB 4.4Å; F77-F82 HydrophobicContact CE1-CG 4.45Å; F77-F82 HydrophobicContact CZ-CB 4.32Å; F77-F82 HydrophobicContact CZ-CD1 4.22Å; F77-F82 HydrophobicContact CZ-CD2 4.16Å; F77-F82 AromaticContact CZ-CG 3.96Å; F77-F82 HydrophobicContact CZ-CG 3.96Å; F77-A103 HydrophobicContact CD2-CB 4.24Å; F77-Q104 HydrophobicContact CD2-CB 4.4Å; F77-Q104 HydrophobicContact CD2-CG 3.5Å; F77-Q104 VanDerWaalsContact CD2-CG 3.5Å; F77-Q104 HydrophobicContact CE2-CB 4.23Å; F77-Q104 HydrophobicContact CE2-CG 3.62Å; F77-Q104 HydrophobicContact CG-CG 4.01Å; F77-Q104 HydrophobicContact CZ-CG 4.2Å | ||
| 78 | D | 83.1 | Confident | 82.5 | Confident | 71 Ų | 71 | 90.6 Ų | 90.6 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | trans | -84.8 | 107.3 | 172.7 | -176.3 | -13.3 | 0 | 0 | 0 | 109.4 | D76 N80 L81 F82 Q104 | D76-D78 PolarHBondContact O-N 2.8Å; D78-N80 PolarHBondContact OD1-N 2.96Å; D78-L81 HydrophobicContact CB-CB 3.96Å; D78-L81 PolarHBondContact OD1-N 3.2Å; D78-F82 WeakPolarHBondContact O-CB 3.17Å; D78-F82 PolarHBondContact O-N 2.96Å; D78-Q104 PolarHBondContact O-NE2 3.22Å | ||
| 79 | S | 84.8 | Confident | 82.7 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 179.4 | -160.6 | 0 | 0 | 0 | 0 | 111.8 | F77 L81 F82 D83 | F77-S79 PolarHBondContact O-N 2.91Å; S79-L81 PolarHBondContact O-N 2.88Å; S79-F82 WeakPolarHBondContact O-CB 3.09Å; S79-F82 PolarHBondContact O-N 2.79Å; S79-D83 WeakPolarHBondContact O-CB 3.48Å; S79-D83 PolarHBondContact O-N 2.81Å; S79-D83 PolarHBondContact OG-OD2 3.09Å |
| 80 | N | 86.6 | Confident | 82.9 | Confident | 130 Ų | 130 | 81.6 Ų | 81.6 | 70% | 0.695 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | -175.6 | -65 | -38.9 | 0 | 0 | 0 | 111.2 | D78 F82 D83 D84 | D78-N80 PolarHBondContact OD1-N 2.96Å; N80-F82 VanDerWaalsContact C-N 3.32Å; N80-D83 PolarHBondContact O-N 3.26Å; N80-D84 PolarHBondContact O-N 2.65Å |
| 81 | L | 85.1 | Confident | 83.1 | Confident | 52 Ų | 52 | 81.1 Ų | 81.1 | 27% | 0.272 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175 | -178.9 | 65.5 | 0 | 0 | 0 | 111.5 | D78 S79 V85 L100 | D78-L81 HydrophobicContact CB-CB 3.96Å; D78-L81 PolarHBondContact OD1-N 3.2Å; S79-L81 PolarHBondContact O-N 2.88Å; L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.26Å; L81-V85 PolarHBondContact O-N 3.15Å; L81-L100 HydrophobicContact CD2-CD2 4.04Å; L81-L100 HydrophobicContact CG-CD2 3.91Å |
| 82 | F | 89.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 74 Ų | 74 | 7% | 0.07 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 176.9 | 178.7 | -95.5 | 0 | 0 | 0 | 111.8 | F77 D78 S79 N80 V85 F86 Q104 L108 L111 | F77-F82 HydrophobicContact CE1-CB 4.4Å; F77-F82 HydrophobicContact CE1-CG 4.45Å; F77-F82 HydrophobicContact CZ-CB 4.32Å; F77-F82 HydrophobicContact CZ-CD1 4.22Å; F77-F82 HydrophobicContact CZ-CD2 4.16Å; F77-F82 AromaticContact CZ-CG 3.96Å; F77-F82 HydrophobicContact CZ-CG 3.96Å; D78-F82 WeakPolarHBondContact O-CB 3.17Å; D78-F82 PolarHBondContact O-N 2.96Å; S79-F82 WeakPolarHBondContact O-CB 3.09Å; S79-F82 PolarHBondContact O-N 2.79Å; N80-F82 VanDerWaalsContact C-N 3.32Å; F82-V85 PolarHBondContact O-N 3.46Å; F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 PolarHBondContact O-N 2.81Å; F82-Q104 HydrophobicContact CB-CG 4.42Å; F82-Q104 HydrophobicContact CD2-CB 3.97Å; F82-Q104 HydrophobicContact CD2-CG 4.22Å; F82-Q104 VanDerWaalsContact CE2-O 3.29Å; F82-Q104 WeakPolarHBondContact CE2-O 3.24Å; F82-L108 HydrophobicContact CE2-CB 3.84Å; F82-L108 HydrophobicContact CZ-CB 4.47Å; F82-L111 HydrophobicContact CE1-CD1 3.77Å; F82-L111 HydrophobicContact CZ-CD1 3.59Å |
| 83 | D | 89.3 | Confident | 84.7 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | -179.2 | -64 | -29.9 | 0 | 0 | 0 | 110.9 | S79 N80 V85 F86 D87 | S79-D83 WeakPolarHBondContact O-CB 3.48Å; S79-D83 PolarHBondContact O-N 2.81Å; S79-D83 PolarHBondContact OG-OD2 3.09Å; N80-D83 PolarHBondContact O-N 3.26Å; D83-V85 VanDerWaalsContact C-N 3.34Å; D83-V85 PolarHBondContact O-N 2.91Å; D83-F86 PolarHBondContact O-N 3.39Å; D83-F86 VanDerWaalsContact O-N 3.17Å; D83-D87 WeakPolarHBondContact O-CB 3.23Å; D83-D87 PolarHBondContact O-N 3.13Å |
| 84 | D | 89.5 | Confident | 86 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.6 | -42 | 174 | 176.6 | 78.4 | 0 | 0 | 0 | 112.7 | N80 R88 | N80-D84 PolarHBondContact O-N 2.65Å; D84-R88 WeakPolarHBondContact O-CG 3.44Å; D84-R88 PolarHBondContact O-N 3.24Å; D84-R88 IonicContact OD1-NE 3.26Å; D84-R88 IonicContact OD2-CZ 3.36Å; D84-R88 IonicContact OD2-NE 3.88Å; D84-R88 PolarHBondContact OD2-NE 3.2Å; D84-R88 IonicContact OD2-NH2 2.89Å; D84-R88 PolarHBondContact OD2-NH2 3.39Å |
| 85 | V | 89 | Confident | 87.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.8 | -40.4 | 177.1 | 172 | 0 | 0 | 0 | 0 | 110.4 | L81 F82 D83 R88 L89 L92 L97 L100 L108 | L81-V85 VanDerWaalsContact O-CG2 3.32Å; L81-V85 WeakPolarHBondContact O-CG2 3.26Å; L81-V85 PolarHBondContact O-N 3.15Å; F82-V85 PolarHBondContact O-N 3.46Å; D83-V85 VanDerWaalsContact C-N 3.34Å; D83-V85 PolarHBondContact O-N 2.91Å; V85-R88 PolarHBondContact O-N 2.98Å; V85-L89 PolarHBondContact O-N 3.3Å; V85-L92 HydrophobicContact CG1-CD1 3.72Å; V85-L92 HydrophobicContact CG1-CD2 3.8Å; V85-L92 HydrophobicContact CG1-CG 4.43Å; V85-L92 WeakPolarHBondContact O-CD1 3.28Å; V85-L97 HydrophobicContact CG1-CD2 4.24Å; V85-L100 HydrophobicContact CB-CD1 4.37Å; V85-L100 HydrophobicContact CG1-CD1 3.92Å; V85-L100 HydrophobicContact CG2-CD1 4.41Å; V85-L100 HydrophobicContact CG2-CD2 4.23Å; V85-L100 HydrophobicContact CG2-CG 4.46Å; V85-L108 HydrophobicContact CG1-CD2 4.02Å |
| 86 | F | 89.6 | Confident | 88.6 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 179.1 | -177.3 | -110.7 | 0 | 0 | 0 | 112.5 | F82 D83 R88 L89 L108 L111 | F82-F86 WeakPolarHBondContact O-CB 3.48Å; F82-F86 PolarHBondContact O-N 2.81Å; D83-F86 PolarHBondContact O-N 3.39Å; D83-F86 VanDerWaalsContact O-N 3.17Å; F86-R88 PolarHBondContact O-N 3.26Å; F86-L89 HydrophobicContact CE2-CD2 4.15Å; F86-L89 WeakPolarHBondContact O-CB 3.4Å; F86-L89 PolarHBondContact O-N 3.28Å; F86-L108 HydrophobicContact CD2-CD1 4.04Å; F86-L111 HydrophobicContact CD1-CD1 4.41Å; F86-L111 HydrophobicContact CD2-CB 4.13Å; F86-L111 HydrophobicContact CD2-CD1 3.63Å; F86-L111 HydrophobicContact CE1-CD1 4.38Å; F86-L111 HydrophobicContact CE2-CB 3.58Å; F86-L111 HydrophobicContact CE2-CD1 3.62Å; F86-L111 HydrophobicContact CE2-CG 4.15Å; F86-L111 HydrophobicContact CG-CD1 4.05Å; F86-L111 HydrophobicContact CZ-CB 4.27Å; F86-L111 HydrophobicContact CZ-CD1 4.01Å |
| 87 | D | 91 | Very high | 89.4 | Confident | 134 Ų | 134 | 61.5 Ų | 61.5 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.8 | -28.7 | 176.6 | -75.6 | -15 | 0 | 0 | 0 | 112.2 | D83 | D83-D87 WeakPolarHBondContact O-CB 3.23Å; D83-D87 PolarHBondContact O-N 3.13Å |
| 88 | R | 92.4 | Very high | 89.8 | Confident | 86 Ų | 86 | 60.2 Ų | 60.2 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 10.8 | 176.3 | -67.4 | -169.7 | -66.5 | 128 | -3.5 | 114.2 | D84 V85 F86 D90 S91 L92 D96 | D84-R88 WeakPolarHBondContact O-CG 3.44Å; D84-R88 PolarHBondContact O-N 3.24Å; D84-R88 IonicContact OD1-NE 3.26Å; D84-R88 IonicContact OD2-CZ 3.36Å; D84-R88 IonicContact OD2-NE 3.88Å; D84-R88 PolarHBondContact OD2-NE 3.2Å; D84-R88 IonicContact OD2-NH2 2.89Å; D84-R88 PolarHBondContact OD2-NH2 3.39Å; V85-R88 PolarHBondContact O-N 2.98Å; F86-R88 PolarHBondContact O-N 3.26Å; R88-D90 VanDerWaalsContact C-N 3.27Å; R88-D90 PolarHBondContact O-N 3.32Å; R88-S91 WeakPolarHBondContact O-CA 3.4Å; R88-S91 PolarHBondContact O-N 2.76Å; R88-S91 PolarHBondContact O-OG 2.96Å; R88-L92 HydrophobicContact CB-CD2 4.11Å; R88-L92 WeakPolarHBondContact O-CG 3.14Å; R88-L92 PolarHBondContact O-N 3.08Å; R88-D96 IonicContact CZ-OD1 3.8Å; R88-D96 IonicContact NH1-OD1 3.85Å; R88-D96 PolarHBondContact NH1-OD1 3.25Å; R88-D96 IonicContact NH2-OD1 3.33Å |
| 89 | L | 92.8 | Very high | 90 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -44.2 | -47 | -171.5 | 176.4 | 58.5 | 0 | 0 | 0 | 114 | H52 L53 V56 V85 F86 S91 L92 I112 E115 | H52-L89 PolarHBondContact NE2-O 2.9Å; L53-L89 HydrophobicContact CD2-CD1 3.98Å; L53-L89 HydrophobicContact CD2-CD2 3.69Å; L53-L89 HydrophobicContact CD2-CG 3.79Å; V56-L89 HydrophobicContact CG1-CD1 4.23Å; V85-L89 PolarHBondContact O-N 3.3Å; F86-L89 HydrophobicContact CE2-CD2 4.15Å; F86-L89 WeakPolarHBondContact O-CB 3.4Å; F86-L89 PolarHBondContact O-N 3.28Å; L89-S91 PolarHBondContact O-N 3.23Å; L89-S91 VanDerWaalsContact O-N 3.12Å; L89-L92 HydrophobicContact CD1-CD1 4.1Å; L89-L92 PolarHBondContact O-N 2.91Å; L89-I112 HydrophobicContact CD1-CD1 4.25Å; L89-I112 HydrophobicContact CD1-CG1 3.8Å; L89-E115 HydrophobicContact CD2-CB 4.16Å; L89-E115 HydrophobicContact CD2-CG 3.86Å |
| 90 | D | 92.4 | Very high | 90.1 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -71.1 | -4.7 | -177.3 | -67.5 | -37.5 | 0 | 0 | 0 | 114.4 | R49 H52 R88 | R49-D90 IonicContact CZ-OD1 3.8Å; R49-D90 IonicContact NE-OD1 3.19Å; R49-D90 PolarHBondContact NE-OD1 2.79Å; R49-D90 IonicContact NE-OD2 3.45Å; R49-D90 PolarHBondContact NE-OD2 3.12Å; R49-D90 IonicContact NH2-OD1 3.9Å; H52-D90 PolarHBondContact NE2-O 3.26Å; R88-D90 VanDerWaalsContact C-N 3.27Å; R88-D90 PolarHBondContact O-N 3.32Å |
| 91 | S | 93.1 | Very high | 90.3 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 54% | 0.538 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -123.5 | -0.7 | 179.4 | 67.4 | 0 | 0 | 0 | 0 | 114.3 | R88 L89 | R88-S91 WeakPolarHBondContact O-CA 3.4Å; R88-S91 PolarHBondContact O-N 2.76Å; R88-S91 PolarHBondContact O-OG 2.96Å; L89-S91 PolarHBondContact O-N 3.23Å; L89-S91 VanDerWaalsContact O-N 3.12Å |
| 92 | L | 92.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -62.2 | 137.4 | -175.3 | -69.3 | -180 | 0 | 0 | 0 | 113.5 | H52 V56 V85 R88 L89 D96 L97 L108 | H52-L92 PolarHBondContact CE1-O 3.14Å; H52-L92 VanDerWaalsContact CE1-O 3.28Å; V56-L92 HydrophobicContact CG1-CB 4.29Å; V56-L92 HydrophobicContact CG1-CD1 4.06Å; V56-L92 HydrophobicContact CG2-CB 4.08Å; V85-L92 HydrophobicContact CG1-CD1 3.72Å; V85-L92 HydrophobicContact CG1-CD2 3.8Å; V85-L92 HydrophobicContact CG1-CG 4.43Å; V85-L92 WeakPolarHBondContact O-CD1 3.28Å; R88-L92 HydrophobicContact CB-CD2 4.11Å; R88-L92 WeakPolarHBondContact O-CG 3.14Å; R88-L92 PolarHBondContact O-N 3.08Å; L89-L92 HydrophobicContact CD1-CD1 4.1Å; L89-L92 PolarHBondContact O-N 2.91Å; L92-D96 HydrophobicContact CD2-CB 3.8Å; L92-L97 HydrophobicContact CD1-CD2 4.21Å; L92-L108 HydrophobicContact CD1-CD2 4.46Å | ||
| 93 | V | 92.5 | Very high | 90.5 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | trans | -115.2 | 168.3 | 168.6 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | A95 D96 | V93-A95 HydrophobicContact CG2-CB 4.15Å; V93-A95 PolarHBondContact O-N 3.38Å; V93-A95 VanDerWaalsContact O-N 3.09Å; V93-D96 WeakPolarHBondContact CG2-OD2 3.36Å; V93-D96 PolarHBondContact N-OD2 3.35Å; V93-D96 PolarHBondContact O-N 3.31Å; V93-D96 VanDerWaalsContact O-N 3.13Å | ||
| 94 | E | 91.5 | Very high | 90.6 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 38% | 0.383 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.6 | -178 | -172.8 | 170.4 | -172.6 | 0 | 0 | 113.6 | F59 Q98 | F59-E94 HydrophobicContact CB-CB 4.46Å; F59-E94 HydrophobicContact CB-CG 4.39Å; F59-E94 HydrophobicContact CD1-CB 3.9Å; F59-E94 HydrophobicContact CD1-CG 3.97Å; F59-E94 HydrophobicContact CD2-CB 4.02Å; F59-E94 HydrophobicContact CE1-CB 4Å; F59-E94 HydrophobicContact CE1-CG 4.37Å; F59-E94 HydrophobicContact CE2-CB 4.1Å; F59-E94 HydrophobicContact CG-CB 3.92Å; F59-E94 HydrophobicContact CG-CG 4.18Å; F59-E94 HydrophobicContact CZ-CB 4.08Å; E94-Q98 PolarHBondContact O-NE2 2.98Å |
| 95 | A | 91.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 60% | 0.603 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V93 L97 Q98 | V93-A95 HydrophobicContact CG2-CB 4.15Å; V93-A95 PolarHBondContact O-N 3.38Å; V93-A95 VanDerWaalsContact O-N 3.09Å; A95-L97 PolarHBondContact O-N 2.99Å; A95-Q98 PolarHBondContact O-N 3.02Å |
| 96 | D | 90.3 | Very high | 91 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -60.6 | -33.2 | -179.5 | -62.9 | -66.5 | 0 | 0 | 0 | 111.5 | R88 L92 V93 Q98 S99 | R88-D96 IonicContact CZ-OD1 3.8Å; R88-D96 IonicContact NH1-OD1 3.85Å; R88-D96 PolarHBondContact NH1-OD1 3.25Å; R88-D96 IonicContact NH2-OD1 3.33Å; L92-D96 HydrophobicContact CD2-CB 3.8Å; V93-D96 WeakPolarHBondContact CG2-OD2 3.36Å; V93-D96 PolarHBondContact N-OD2 3.35Å; V93-D96 PolarHBondContact O-N 3.31Å; V93-D96 VanDerWaalsContact O-N 3.13Å; D96-Q98 VanDerWaalsContact C-N 3.31Å; D96-Q98 PolarHBondContact O-N 2.88Å; D96-S99 PolarHBondContact O-OG 3.06Å |
| 97 | L | 91 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -76.8 | -12.7 | -175.9 | -54.9 | -175.1 | 0 | 0 | 0 | 114.2 | F59 V85 L92 A95 S99 L100 L105 L108 | F59-L97 HydrophobicContact CB-CD1 3.46Å; F59-L97 VanDerWaalsContact CB-CD1 3.46Å; V85-L97 HydrophobicContact CG1-CD2 4.24Å; L92-L97 HydrophobicContact CD1-CD2 4.21Å; A95-L97 PolarHBondContact O-N 2.99Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.42Å; L97-L100 HydrophobicContact CD2-CD1 4.46Å; L97-L100 PolarHBondContact O-N 2.77Å; L97-L105 HydrophobicContact CB-CD2 4.15Å; L97-L108 HydrophobicContact CD2-CD2 3.68Å |
| 98 | Q | 88.8 | Confident | 91.3 | Very high | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -68.2 | -29.4 | -177.5 | -63.1 | -56.5 | -49.3 | 0 | 0 | 112.4 | K67 E94 A95 D96 L100 | K67-Q98 PolarHBondContact NZ-O 3.45Å; E94-Q98 PolarHBondContact O-NE2 2.98Å; A95-Q98 PolarHBondContact O-N 3.02Å; D96-Q98 VanDerWaalsContact C-N 3.31Å; D96-Q98 PolarHBondContact O-N 2.88Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.83Å |
| 99 | S | 86.2 | Confident | 91.4 | Very high | 56 Ų | 56 | 39.9 Ų | 39.9 | 39% | 0.392 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -69 | -27.2 | -179.5 | 63.9 | 0 | 0 | 0 | 0 | 113.2 | D96 L97 | D96-S99 PolarHBondContact O-OG 3.06Å; L97-S99 VanDerWaalsContact C-N 3.26Å; L97-S99 PolarHBondContact O-N 3.42Å |
| 100 | L | 87.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -80.4 | 141.5 | -173 | -63.4 | -177.5 | 0 | 0 | 0 | 113.6 | K67 L81 V85 L97 Q98 Q104 L105 L108 | K67-L100 WeakPolarHBondContact CE-O 3.34Å; K67-L100 PolarHBondContact NZ-O 2.64Å; L81-L100 HydrophobicContact CD2-CD2 4.04Å; L81-L100 HydrophobicContact CG-CD2 3.91Å; V85-L100 HydrophobicContact CB-CD1 4.37Å; V85-L100 HydrophobicContact CG1-CD1 3.92Å; V85-L100 HydrophobicContact CG2-CD1 4.41Å; V85-L100 HydrophobicContact CG2-CD2 4.23Å; V85-L100 HydrophobicContact CG2-CG 4.46Å; L97-L100 HydrophobicContact CD2-CD1 4.46Å; L97-L100 PolarHBondContact O-N 2.77Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.83Å; L100-Q104 HydrophobicContact CB-CB 4.04Å; L100-Q104 HydrophobicContact CD2-CB 4.14Å; L100-Q104 HydrophobicContact CD2-CG 4.49Å; L100-Q104 HydrophobicContact CG-CB 4.48Å; L100-L105 HydrophobicContact CB-CD2 3.98Å; L100-L105 HydrophobicContact CB-CG 3.89Å; L100-L105 HydrophobicContact CD1-CD2 4.02Å; L100-L108 HydrophobicContact CD1-CD2 4.01Å |
| 101 | G | 89.7 | Confident | 91.5 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | trans | -71.2 | 168.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A103 Q104 L105 | G101-A103 VanDerWaalsContact C-N 3.29Å; G101-A103 PolarHBondContact O-N 3.2Å; G101-Q104 PolarHBondContact O-N 2.96Å; G101-L105 WeakPolarHBondContact O-CG 3.42Å; G101-L105 PolarHBondContact O-N 3.49Å | ||
| 102 | V | 90.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -37.6 | -178 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | I64 K67 D73 L105 K106 | I64-V102 HydrophobicContact CG2-CG1 4.42Å; K67-V102 HydrophobicContact CB-CG2 3.76Å; K67-V102 HydrophobicContact CD-CG2 4.38Å; D73-V102 PolarHBondContact O-N 3.15Å; V102-L105 PolarHBondContact O-N 3.15Å; V102-K106 HydrophobicContact CG1-CD 4.33Å; V102-K106 WeakPolarHBondContact O-CG 3.26Å; V102-K106 PolarHBondContact O-N 2.88Å |
| 103 | A | 89.6 | Confident | 91.8 | Very high | 58 Ų | 58 | 39.7 Ų | 39.7 | 48% | 0.479 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | F77 G101 L105 K106 S107 | F77-A103 HydrophobicContact CD2-CB 4.24Å; G101-A103 VanDerWaalsContact C-N 3.29Å; G101-A103 PolarHBondContact O-N 3.2Å; A103-L105 PolarHBondContact O-N 3.16Å; A103-K106 PolarHBondContact O-N 2.77Å; A103-S107 PolarHBondContact O-N 3.15Å; A103-S107 PolarHBondContact O-OG 2.84Å |
| 104 | Q | 91.5 | Very high | 92 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 174.9 | -72.3 | 169.3 | -52.5 | 0 | 0 | 111.5 | F77 D78 F82 L100 G101 K106 S107 L108 | F77-Q104 HydrophobicContact CD2-CB 4.4Å; F77-Q104 HydrophobicContact CD2-CG 3.5Å; F77-Q104 VanDerWaalsContact CD2-CG 3.5Å; F77-Q104 HydrophobicContact CE2-CB 4.23Å; F77-Q104 HydrophobicContact CE2-CG 3.62Å; F77-Q104 HydrophobicContact CG-CG 4.01Å; F77-Q104 HydrophobicContact CZ-CG 4.2Å; D78-Q104 PolarHBondContact O-NE2 3.22Å; F82-Q104 HydrophobicContact CB-CG 4.42Å; F82-Q104 HydrophobicContact CD2-CB 3.97Å; F82-Q104 HydrophobicContact CD2-CG 4.22Å; F82-Q104 VanDerWaalsContact CE2-O 3.29Å; F82-Q104 WeakPolarHBondContact CE2-O 3.24Å; L100-Q104 HydrophobicContact CB-CB 4.04Å; L100-Q104 HydrophobicContact CD2-CB 4.14Å; L100-Q104 HydrophobicContact CD2-CG 4.49Å; L100-Q104 HydrophobicContact CG-CB 4.48Å; G101-Q104 PolarHBondContact O-N 2.96Å; Q104-K106 VanDerWaalsContact C-N 3.33Å; Q104-K106 PolarHBondContact O-N 3.15Å; Q104-S107 PolarHBondContact O-N 2.7Å; Q104-L108 WeakPolarHBondContact O-CB 3.44Å; Q104-L108 PolarHBondContact O-N 2.97Å |
| 105 | L | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | 178.1 | -70.2 | 166.3 | 0 | 0 | 0 | 112.9 | T63 I64 K67 L97 L100 G101 V102 A103 S109 | T63-L105 HydrophobicContact CG2-CD1 3.63Å; I64-L105 HydrophobicContact CD1-CB 3.84Å; I64-L105 HydrophobicContact CG1-CB 3.55Å; I64-L105 HydrophobicContact CG1-CD1 3.95Å; I64-L105 HydrophobicContact CG1-CG 4.36Å; K67-L105 HydrophobicContact CD-CD1 4.23Å; L97-L105 HydrophobicContact CB-CD2 4.15Å; L100-L105 HydrophobicContact CB-CD2 3.98Å; L100-L105 HydrophobicContact CB-CG 3.89Å; L100-L105 HydrophobicContact CD1-CD2 4.02Å; G101-L105 WeakPolarHBondContact O-CG 3.42Å; G101-L105 PolarHBondContact O-N 3.49Å; V102-L105 PolarHBondContact O-N 3.15Å; A103-L105 PolarHBondContact O-N 3.16Å; L105-S109 WeakPolarHBondContact O-CB 3.49Å; L105-S109 PolarHBondContact O-N 2.93Å |
| 106 | K | 92.8 | Very high | 92.5 | Very high | 125 Ų | 125 | 35.7 Ų | 35.7 | 54% | 0.543 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 174 | -75.4 | 176.3 | 179 | 177 | 0 | 111.5 | I64 V102 A103 Q104 S109 C110 | I64-K106 HydrophobicContact CD1-CG 4.23Å; V102-K106 HydrophobicContact CG1-CD 4.33Å; V102-K106 WeakPolarHBondContact O-CG 3.26Å; V102-K106 PolarHBondContact O-N 2.88Å; A103-K106 PolarHBondContact O-N 2.77Å; Q104-K106 VanDerWaalsContact C-N 3.33Å; Q104-K106 PolarHBondContact O-N 3.15Å; K106-S109 PolarHBondContact O-N 2.84Å; K106-C110 PolarHBondContact O-N 2.96Å; K106-C110 VanDerWaalsContact O-N 3.1Å |
| 107 | S | 93 | Very high | 92.8 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | A103 Q104 S109 C110 L111 | A103-S107 PolarHBondContact O-N 3.15Å; A103-S107 PolarHBondContact O-OG 2.84Å; Q104-S107 PolarHBondContact O-N 2.7Å; S107-S109 VanDerWaalsContact C-N 3.33Å; S107-S109 PolarHBondContact O-N 2.68Å; S107-C110 WeakPolarHBondContact O-CB 3.42Å; S107-C110 PolarHBondContact O-N 3.15Å; S107-C110 VanDerWaalsContact O-N 3.11Å; S107-L111 PolarHBondContact O-N 3.43Å |
| 108 | L | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 177.2 | -178.1 | 60.3 | 0 | 0 | 0 | 110.6 | F82 V85 F86 L92 L97 L100 Q104 C110 L111 I112 | F82-L108 HydrophobicContact CE2-CB 3.84Å; F82-L108 HydrophobicContact CZ-CB 4.47Å; V85-L108 HydrophobicContact CG1-CD2 4.02Å; F86-L108 HydrophobicContact CD2-CD1 4.04Å; L92-L108 HydrophobicContact CD1-CD2 4.46Å; L97-L108 HydrophobicContact CD2-CD2 3.68Å; L100-L108 HydrophobicContact CD1-CD2 4.01Å; Q104-L108 WeakPolarHBondContact O-CB 3.44Å; Q104-L108 PolarHBondContact O-N 2.97Å; L108-C110 VanDerWaalsContact C-N 3.27Å; L108-C110 PolarHBondContact O-N 2.85Å; L108-L111 PolarHBondContact O-N 3.37Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å; L108-I112 HydrophobicContact CD1-CG1 4.39Å; L108-I112 HydrophobicContact CG-CD1 3.87Å; L108-I112 HydrophobicContact CG-CG1 4.39Å; L108-I112 VanDerWaalsContact O-CG1 3.23Å; L108-I112 WeakPolarHBondContact O-CG1 3.34Å; L108-I112 PolarHBondContact O-N 3.44Å |
| 109 | S | 94.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | 175.6 | -172.4 | 0 | 0 | 0 | 0 | 112.6 | L105 K106 S107 D113 | L105-S109 WeakPolarHBondContact O-CB 3.49Å; L105-S109 PolarHBondContact O-N 2.93Å; K106-S109 PolarHBondContact O-N 2.84Å; S107-S109 VanDerWaalsContact C-N 3.33Å; S107-S109 PolarHBondContact O-N 2.68Å; S109-D113 PolarHBondContact O-N 3.35Å; S109-D113 VanDerWaalsContact O-N 3.1Å |
| 110 | C | 94.4 | Very high | 94.1 | Very high | 73 Ų | 73 | 43.2 Ų | 43.2 | 49% | 0.493 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | K106 S107 L108 D113 E114 | K106-C110 PolarHBondContact O-N 2.96Å; K106-C110 VanDerWaalsContact O-N 3.1Å; S107-C110 WeakPolarHBondContact O-CB 3.42Å; S107-C110 PolarHBondContact O-N 3.15Å; S107-C110 VanDerWaalsContact O-N 3.11Å; L108-C110 VanDerWaalsContact C-N 3.27Å; L108-C110 PolarHBondContact O-N 2.85Å; C110-D113 WeakPolarHBondContact O-CB 3.49Å; C110-D113 PolarHBondContact O-N 2.85Å; C110-E114 PolarHBondContact O-N 2.75Å |
| 111 | L | 94.2 | Very high | 94.5 | Very high | 44 Ų | 44 | 46 Ų | 46 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 174.8 | -67 | 177.5 | 0 | 0 | 0 | 112.4 | F82 F86 S107 L108 D113 E114 E115 | F82-L111 HydrophobicContact CE1-CD1 3.77Å; F82-L111 HydrophobicContact CZ-CD1 3.59Å; F86-L111 HydrophobicContact CD1-CD1 4.41Å; F86-L111 HydrophobicContact CD2-CB 4.13Å; F86-L111 HydrophobicContact CD2-CD1 3.63Å; F86-L111 HydrophobicContact CE1-CD1 4.38Å; F86-L111 HydrophobicContact CE2-CB 3.58Å; F86-L111 HydrophobicContact CE2-CD1 3.62Å; F86-L111 HydrophobicContact CE2-CG 4.15Å; F86-L111 HydrophobicContact CG-CD1 4.05Å; F86-L111 HydrophobicContact CZ-CB 4.27Å; F86-L111 HydrophobicContact CZ-CD1 4.01Å; S107-L111 PolarHBondContact O-N 3.43Å; L108-L111 PolarHBondContact O-N 3.37Å; L111-D113 PolarHBondContact O-N 3.05Å; L111-E114 WeakPolarHBondContact O-CB 3.35Å; L111-E114 PolarHBondContact O-N 2.88Å; L111-E114 VanDerWaalsContact O-N 3.12Å; L111-E115 PolarHBondContact O-N 3.34Å |
| 112 | I | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 173.3 | -69.2 | 165 | 0 | 0 | 0 | 110.5 | L53 V56 K57 L89 L108 E114 E115 T116 | L53-I112 HydrophobicContact CB-CG2 4.42Å; L53-I112 HydrophobicContact CD2-CG2 4.44Å; V56-I112 HydrophobicContact CB-CD1 4.42Å; V56-I112 HydrophobicContact CG1-CD1 3.7Å; K57-I112 HydrophobicContact CB-CG2 4Å; L89-I112 HydrophobicContact CD1-CD1 4.25Å; L89-I112 HydrophobicContact CD1-CG1 3.8Å; L108-I112 HydrophobicContact CD1-CD1 4.32Å; L108-I112 HydrophobicContact CD1-CG1 4.39Å; L108-I112 HydrophobicContact CG-CD1 3.87Å; L108-I112 HydrophobicContact CG-CG1 4.39Å; L108-I112 VanDerWaalsContact O-CG1 3.23Å; L108-I112 WeakPolarHBondContact O-CG1 3.34Å; L108-I112 PolarHBondContact O-N 3.44Å; I112-E114 VanDerWaalsContact C-N 3.35Å; I112-E115 PolarHBondContact O-N 2.99Å; I112-T116 WeakPolarHBondContact O-CB 3.43Å; I112-T116 PolarHBondContact O-N 3.2Å; I112-T116 PolarHBondContact O-OG1 2.87Å |
| 113 | D | 95.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -37.3 | 175.5 | -74.9 | -24.4 | 0 | 0 | 0 | 112.4 | K57 S109 C110 L111 K117 | K57-D113 VanDerWaalsContact CE-OD1 3.28Å; K57-D113 WeakPolarHBondContact CE-OD1 3.23Å; K57-D113 IonicContact NZ-OD1 2.94Å; K57-D113 PolarHBondContact NZ-OD1 3.4Å; K57-D113 IonicContact NZ-OD2 2.84Å; S109-D113 PolarHBondContact O-N 3.35Å; S109-D113 VanDerWaalsContact O-N 3.1Å; C110-D113 WeakPolarHBondContact O-CB 3.49Å; C110-D113 PolarHBondContact O-N 2.85Å; L111-D113 PolarHBondContact O-N 3.05Å; D113-K117 VanDerWaalsContact O-CG 3.31Å; D113-K117 WeakPolarHBondContact O-CG 3.35Å; D113-K117 PolarHBondContact O-N 3.24Å; D113-K117 VanDerWaalsContact O-N 3.12Å |
| 114 | E | 96.2 | Very high | 95.7 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 173 | -63.9 | -172.2 | 179.9 | 0 | 0 | 112.3 | C110 L111 I112 T116 K117 R118 | C110-E114 PolarHBondContact O-N 2.75Å; L111-E114 WeakPolarHBondContact O-CB 3.35Å; L111-E114 PolarHBondContact O-N 2.88Å; L111-E114 VanDerWaalsContact O-N 3.12Å; I112-E114 VanDerWaalsContact C-N 3.35Å; E114-T116 VanDerWaalsContact C-N 3.29Å; E114-T116 PolarHBondContact O-N 3.12Å; E114-K117 WeakPolarHBondContact O-CB 3.49Å; E114-K117 PolarHBondContact O-N 3.12Å; E114-K117 VanDerWaalsContact O-N 3.14Å; E114-R118 WeakPolarHBondContact O-CG 3.35Å; E114-R118 PolarHBondContact O-N 2.97Å; E114-R118 IonicContact OE2-CZ 3.64Å; E114-R118 IonicContact OE2-NH1 3.83Å; E114-R118 IonicContact OE2-NH2 3.15Å; E114-R118 PolarHBondContact OE2-NH2 2.94Å |
| 115 | E | 96.5 | Very high | 95.9 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 14% | 0.14 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 176.9 | -76.3 | -56.4 | 130.1 | 0 | 0 | 112 | R49 L53 L89 L111 I112 K117 R118 N119 | R49-E115 IonicContact CZ-OE2 2.62Å; R49-E115 IonicContact NH1-OE2 2.81Å; R49-E115 PolarHBondContact NH1-OE2 3.3Å; R49-E115 IonicContact NH2-OE2 3.74Å; R49-E115 PolarHBondContact NH2-OE2 2.99Å; L53-E115 HydrophobicContact CD1-CB 4.28Å; L53-E115 HydrophobicContact CD2-CB 4.41Å; L89-E115 HydrophobicContact CD2-CB 4.16Å; L89-E115 HydrophobicContact CD2-CG 3.86Å; L111-E115 PolarHBondContact O-N 3.34Å; I112-E115 PolarHBondContact O-N 2.99Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-K117 PolarHBondContact O-N 2.9Å; E115-R118 PolarHBondContact O-N 3.46Å; E115-R118 IonicContact OE1-CZ 3.46Å; E115-R118 IonicContact OE1-NE 3.73Å; E115-R118 IonicContact OE1-NH1 3.71Å; E115-R118 PolarHBondContact OE1-NH1 3.47Å; E115-N119 WeakPolarHBondContact O-CB 3.32Å; E115-N119 PolarHBondContact O-N 3.2Å |
| 116 | T | 97 | Very high | 96.2 | Very high | 38 Ų | 38 | 59.8 Ų | 59.8 | 23% | 0.233 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | I112 E114 A120 | I112-T116 WeakPolarHBondContact O-CB 3.43Å; I112-T116 PolarHBondContact O-N 3.2Å; I112-T116 PolarHBondContact O-OG1 2.87Å; E114-T116 VanDerWaalsContact C-N 3.29Å; E114-T116 PolarHBondContact O-N 3.12Å; T116-A120 VanDerWaalsContact O-CB 3.27Å; T116-A120 WeakPolarHBondContact O-CB 3.39Å; T116-A120 PolarHBondContact O-N 2.71Å |
| 117 | K | 97.3 | Very high | 96.4 | Very high | 155 Ų | 155 | 57.3 Ų | 57.3 | 67% | 0.674 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -45.8 | 175.5 | -71.7 | 168.9 | -174 | 173.4 | 0 | 111.9 | D113 E114 E115 A120 A121 | D113-K117 VanDerWaalsContact O-CG 3.31Å; D113-K117 WeakPolarHBondContact O-CG 3.35Å; D113-K117 PolarHBondContact O-N 3.24Å; D113-K117 VanDerWaalsContact O-N 3.12Å; E114-K117 WeakPolarHBondContact O-CB 3.49Å; E114-K117 PolarHBondContact O-N 3.12Å; E114-K117 VanDerWaalsContact O-N 3.14Å; E115-K117 VanDerWaalsContact C-N 3.34Å; E115-K117 PolarHBondContact O-N 2.9Å; K117-A120 PolarHBondContact O-N 2.87Å; K117-A121 PolarHBondContact O-N 2.89Å; K117-A121 VanDerWaalsContact O-N 3.15Å |
| 118 | R | 96.9 | Very high | 96.5 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 43% | 0.434 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.2 | -68.8 | -179.7 | -169.2 | 108 | 11.1 | 110.9 | E114 E115 A120 A121 F122 | E114-R118 WeakPolarHBondContact O-CG 3.35Å; E114-R118 PolarHBondContact O-N 2.97Å; E114-R118 IonicContact OE2-CZ 3.64Å; E114-R118 IonicContact OE2-NH1 3.83Å; E114-R118 IonicContact OE2-NH2 3.15Å; E114-R118 PolarHBondContact OE2-NH2 2.94Å; E115-R118 PolarHBondContact O-N 3.46Å; E115-R118 IonicContact OE1-CZ 3.46Å; E115-R118 IonicContact OE1-NE 3.73Å; E115-R118 IonicContact OE1-NH1 3.71Å; E115-R118 PolarHBondContact OE1-NH1 3.47Å; R118-A120 PolarHBondContact O-N 3.13Å; R118-A121 WeakPolarHBondContact O-CB 3.37Å; R118-A121 PolarHBondContact O-N 3.43Å; R118-F122 WeakPolarHBondContact O-CD2 3.41Å; R118-F122 PolarHBondContact O-N 2.87Å; R118-F122 VanDerWaalsContact O-N 3.13Å |
| 119 | N | 97.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 179 | -170.4 | 73.3 | 0 | 0 | 0 | 112.8 | A46 R49 A50 L53 E115 A121 F122 V123 | A46-N119 PolarHBondContact O-ND2 2.96Å; A46-N119 PolarHBondContact O-OD1 2.69Å; R49-N119 WeakPolarHBondContact CD-OD1 3.38Å; A50-N119 WeakPolarHBondContact CB-ND2 3.33Å; A50-N119 PolarHBondContact N-ND2 3.07Å; L53-N119 HydrophobicContact CD1-CB 4.16Å; E115-N119 WeakPolarHBondContact O-CB 3.32Å; E115-N119 PolarHBondContact O-N 3.2Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.45Å; N119-F122 WeakPolarHBondContact O-CB 3.47Å; N119-F122 PolarHBondContact O-N 3.48Å; N119-V123 WeakPolarHBondContact O-CG2 3.38Å; N119-V123 PolarHBondContact O-N 3.46Å |
| 120 | A | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T116 K117 R118 V123 V124 | T116-A120 VanDerWaalsContact O-CB 3.27Å; T116-A120 WeakPolarHBondContact O-CB 3.39Å; T116-A120 PolarHBondContact O-N 2.71Å; K117-A120 PolarHBondContact O-N 2.87Å; R118-A120 PolarHBondContact O-N 3.13Å; A120-V123 PolarHBondContact O-N 2.82Å; A120-V124 WeakPolarHBondContact O-CG2 3.49Å; A120-V124 PolarHBondContact O-N 3.06Å |
| 121 | A | 97.7 | Very high | 96.5 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K117 R118 N119 V123 V124 E125 | K117-A121 PolarHBondContact O-N 2.89Å; K117-A121 VanDerWaalsContact O-N 3.15Å; R118-A121 WeakPolarHBondContact O-CB 3.37Å; R118-A121 PolarHBondContact O-N 3.43Å; N119-A121 VanDerWaalsContact C-N 3.3Å; N119-A121 PolarHBondContact O-N 3.45Å; A121-V123 PolarHBondContact O-N 2.87Å; A121-V124 PolarHBondContact O-N 2.78Å; A121-E125 WeakPolarHBondContact O-CB 3.42Å; A121-E125 PolarHBondContact O-N 3.42Å |
| 122 | F | 97.7 | Very high | 96.4 | Very high | 91 Ų | 91 | 62.5 Ų | 62.5 | 40% | 0.399 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 174.9 | -69.2 | -43.7 | 0 | 0 | 0 | 113 | A46 R118 N119 V124 E125 F126 | A46-F122 HydrophobicContact CB-CB 4.46Å; R118-F122 WeakPolarHBondContact O-CD2 3.41Å; R118-F122 PolarHBondContact O-N 2.87Å; R118-F122 VanDerWaalsContact O-N 3.13Å; N119-F122 WeakPolarHBondContact O-CB 3.47Å; N119-F122 PolarHBondContact O-N 3.48Å; F122-V124 VanDerWaalsContact C-N 3.32Å; F122-V124 PolarHBondContact O-N 2.88Å; F122-E125 PolarHBondContact O-N 2.56Å; F122-F126 HydrophobicContact CB-CD2 4.07Å; F122-F126 HydrophobicContact CB-CE2 3.74Å; F122-F126 HydrophobicContact CD1-CE2 4.42Å; F122-F126 HydrophobicContact CD1-CZ 4.46Å; F122-F126 HydrophobicContact CG-CE2 4.25Å; F122-F126 WeakPolarHBondContact O-CB 3.11Å; F122-F126 WeakPolarHBondContact O-CD2 3.26Å; F122-F126 WeakPolarHBondContact O-CG 3.19Å; F122-F126 PolarHBondContact O-N 3.11Å |
| 123 | V | 97.6 | Very high | 96.3 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.2 | -45.9 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | A46 N119 A120 A121 E127 | A46-V123 HydrophobicContact CB-CG2 3.66Å; N119-V123 WeakPolarHBondContact O-CG2 3.38Å; N119-V123 PolarHBondContact O-N 3.46Å; A120-V123 PolarHBondContact O-N 2.82Å; A121-V123 PolarHBondContact O-N 2.87Å; V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 PolarHBondContact O-N 3.26Å |
| 124 | V | 97.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 61.5 Ų | 61.5 | 61% | 0.606 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 179.3 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | A120 A121 F122 E127 S128 | A120-V124 WeakPolarHBondContact O-CG2 3.49Å; A120-V124 PolarHBondContact O-N 3.06Å; A121-V124 PolarHBondContact O-N 2.78Å; F122-V124 VanDerWaalsContact C-N 3.32Å; F122-V124 PolarHBondContact O-N 2.88Å; V124-E127 PolarHBondContact O-N 3.43Å; V124-S128 WeakPolarHBondContact O-CB 3.36Å; V124-S128 PolarHBondContact O-N 2.8Å |
| 125 | E | 97.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 61.2 Ų | 61.2 | 51% | 0.505 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -54.2 | 179.4 | -177.8 | -179.5 | -179.1 | 0 | 0 | 111.7 | A121 F122 E127 S128 V129 | A121-E125 WeakPolarHBondContact O-CB 3.42Å; A121-E125 PolarHBondContact O-N 3.42Å; F122-E125 PolarHBondContact O-N 2.56Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.16Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 3.46Å; E125-S128 VanDerWaalsContact O-N 3.1Å; E125-V129 WeakPolarHBondContact O-CG2 3.47Å; E125-V129 PolarHBondContact O-N 3.26Å |
| 126 | F | 98.1 | Very high | 95.4 | Very high | 46 Ų | 46 | 62.1 Ų | 62.1 | 20% | 0.202 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | -179.5 | -64.5 | -45.6 | 0 | 0 | 0 | 112.1 | N42 W43 A46 F122 R130 | N42-F126 HydrophobicContact CB-CD1 3.81Å; N42-F126 HydrophobicContact CB-CD2 3.73Å; N42-F126 HydrophobicContact CB-CE1 3.74Å; N42-F126 HydrophobicContact CB-CE2 3.65Å; N42-F126 HydrophobicContact CB-CG 3.82Å; N42-F126 HydrophobicContact CB-CZ 3.67Å; W43-F126 HydrophobicContact CB-CB 3.74Å; W43-F126 HydrophobicContact CG-CB 4.49Å; A46-F126 HydrophobicContact CB-CD2 4.31Å; F122-F126 HydrophobicContact CB-CD2 4.07Å; F122-F126 HydrophobicContact CB-CE2 3.74Å; F122-F126 HydrophobicContact CD1-CE2 4.42Å; F122-F126 HydrophobicContact CD1-CZ 4.46Å; F122-F126 HydrophobicContact CG-CE2 4.25Å; F122-F126 WeakPolarHBondContact O-CB 3.11Å; F122-F126 WeakPolarHBondContact O-CD2 3.26Å; F122-F126 WeakPolarHBondContact O-CG 3.19Å; F122-F126 PolarHBondContact O-N 3.11Å; F126-R130 WeakPolarHBondContact O-CB 3.44Å; F126-R130 PolarHBondContact O-N 3.29Å |
| 127 | E | 97 | Very high | 95.3 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 35% | 0.346 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 172.3 | -176.6 | 153.2 | -148.2 | 0 | 0 | 111.5 | V123 V124 E125 R130 Q131 | V123-E127 WeakPolarHBondContact O-CB 3.27Å; V123-E127 PolarHBondContact O-N 3.26Å; V124-E127 PolarHBondContact O-N 3.43Å; E125-E127 VanDerWaalsContact C-N 3.28Å; E125-E127 PolarHBondContact O-N 3.16Å; E127-R130 PolarHBondContact O-N 2.88Å; E127-R130 IonicContact OE1-NH2 2.64Å; E127-R130 PolarHBondContact OE1-NH2 2.94Å; E127-Q131 HydrophobicContact CG-CG 4.31Å; E127-Q131 WeakPolarHBondContact O-CB 3.33Å; E127-Q131 VanDerWaalsContact O-CG 3.24Å; E127-Q131 WeakPolarHBondContact O-CG 3.39Å; E127-Q131 PolarHBondContact O-N 3.16Å |
| 128 | S | 95.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 52.9 Ų | 52.9 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 179.7 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | V124 E125 Q131 Q132 | V124-S128 WeakPolarHBondContact O-CB 3.36Å; V124-S128 PolarHBondContact O-N 2.8Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 3.46Å; E125-S128 VanDerWaalsContact O-N 3.1Å; S128-Q131 PolarHBondContact O-N 2.78Å; S128-Q132 VanDerWaalsContact O-CB 3.3Å; S128-Q132 WeakPolarHBondContact O-CB 3.47Å; S128-Q132 PolarHBondContact O-N 3.23Å |
| 129 | V | 95.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 30% | 0.303 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | A39 E125 Q131 Q132 Q133 | A39-V129 HydrophobicContact CB-CB 4.13Å; A39-V129 HydrophobicContact CB-CG1 3.84Å; E125-V129 WeakPolarHBondContact O-CG2 3.47Å; E125-V129 PolarHBondContact O-N 3.26Å; V129-Q131 VanDerWaalsContact C-N 3.35Å; V129-Q131 PolarHBondContact O-N 3.08Å; V129-Q132 PolarHBondContact O-N 2.79Å; V129-Q133 WeakPolarHBondContact O-CG 2.98Å; V129-Q133 PolarHBondContact O-N 3.07Å |
| 130 | R | 95.5 | Very high | 95.2 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.5 | -50 | 177.2 | 179.3 | -173.9 | 66.7 | -174.1 | -5.8 | 111.5 | L5 L36 A39 D40 W43 F126 E127 Q133 L134 | L5-R130 HydrophobicContact CD2-CG 4.27Å; L36-R130 HydrophobicContact CG-CG 4.33Å; A39-R130 HydrophobicContact CB-CB 3.97Å; D40-R130 HydrophobicContact CB-CG 4.24Å; D40-R130 WeakPolarHBondContact OD1-CD 3.4Å; D40-R130 IonicContact OD1-CZ 2.94Å; D40-R130 IonicContact OD1-NE 2.67Å; D40-R130 IonicContact OD1-NH1 3.64Å; D40-R130 PolarHBondContact OD1-NH1 2.98Å; W43-R130 VanDerWaalsContact CD2-NH1 3.32Å; F126-R130 WeakPolarHBondContact O-CB 3.44Å; F126-R130 PolarHBondContact O-N 3.29Å; E127-R130 PolarHBondContact O-N 2.88Å; E127-R130 IonicContact OE1-NH2 2.64Å; E127-R130 PolarHBondContact OE1-NH2 2.94Å; R130-Q133 PolarHBondContact O-N 2.94Å; R130-L134 WeakPolarHBondContact O-CB 3.19Å; R130-L134 PolarHBondContact O-N 2.97Å |
| 131 | Q | 92.2 | Very high | 95.2 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -42.2 | -179.1 | -69.2 | -62.1 | -10.8 | 0 | 0 | 111.9 | E127 S128 V129 Q133 L134 Y135 | E127-Q131 HydrophobicContact CG-CG 4.31Å; E127-Q131 WeakPolarHBondContact O-CB 3.33Å; E127-Q131 VanDerWaalsContact O-CG 3.24Å; E127-Q131 WeakPolarHBondContact O-CG 3.39Å; E127-Q131 PolarHBondContact O-N 3.16Å; S128-Q131 PolarHBondContact O-N 2.78Å; V129-Q131 VanDerWaalsContact C-N 3.35Å; V129-Q131 PolarHBondContact O-N 3.08Å; Q131-Q133 VanDerWaalsContact C-N 3.31Å; Q131-Q133 PolarHBondContact O-N 3.07Å; Q131-L134 PolarHBondContact O-N 2.88Å; Q131-Y135 HydrophobicContact CB-CE2 4.02Å; Q131-Y135 WeakPolarHBondContact O-CD2 3.49Å; Q131-Y135 VanDerWaalsContact O-CG 3.24Å; Q131-Y135 PolarHBondContact O-N 2.88Å |
| 132 | Q | 90.8 | Very high | 95.2 | Very high | 122 Ų | 122 | 47.1 Ų | 47.1 | 57% | 0.57 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -60.3 | -41.2 | 177.8 | -173.5 | 178.5 | 10.5 | 0 | 0 | 111.9 | S128 V129 | S128-Q132 VanDerWaalsContact O-CB 3.3Å; S128-Q132 WeakPolarHBondContact O-CB 3.47Å; S128-Q132 PolarHBondContact O-N 3.23Å; V129-Q132 PolarHBondContact O-N 2.79Å |
| 133 | Q | 93.6 | Very high | 95.2 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 13% | 0.131 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 174.8 | -60.1 | -42.2 | -59.6 | 0 | 0 | 111.5 | L35 L36 V129 R130 Q131 Y135 E136 I137 | L35-Q133 HydrophobicContact CB-CG 3.93Å; L36-Q133 HydrophobicContact CB-CB 3.84Å; L36-Q133 HydrophobicContact CD1-CB 4.42Å; V129-Q133 WeakPolarHBondContact O-CG 2.98Å; V129-Q133 PolarHBondContact O-N 3.07Å; R130-Q133 PolarHBondContact O-N 2.94Å; Q131-Q133 VanDerWaalsContact C-N 3.31Å; Q131-Q133 PolarHBondContact O-N 3.07Å; Q133-Y135 VanDerWaalsContact C-N 3.29Å; Q133-Y135 PolarHBondContact O-N 3Å; Q133-E136 PolarHBondContact O-N 3.43Å; Q133-E136 VanDerWaalsContact O-N 3.14Å; Q133-I137 WeakPolarHBondContact O-CG1 3.37Å; Q133-I137 PolarHBondContact O-N 2.9Å |
| 134 | L | 92.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -36.4 | -178.2 | -175.2 | 64.2 | 0 | 0 | 0 | 112.6 | V2 L5 F8 L36 R130 Q131 E136 I137 | V2-L134 HydrophobicContact CB-CD1 4.37Å; V2-L134 HydrophobicContact CB-CD2 3.9Å; V2-L134 HydrophobicContact CB-CG 3.8Å; V2-L134 HydrophobicContact CG1-CB 4.48Å; V2-L134 HydrophobicContact CG1-CD2 3.85Å; V2-L134 HydrophobicContact CG1-CG 3.67Å; V2-L134 HydrophobicContact CG2-CD2 4.4Å; L5-L134 HydrophobicContact CD1-CD2 4.42Å; L5-L134 HydrophobicContact CD2-CD1 4.27Å; L5-L134 HydrophobicContact CD2-CD2 3.96Å; L5-L134 HydrophobicContact CG-CD2 3.9Å; F8-L134 HydrophobicContact CE2-CD1 3.81Å; F8-L134 HydrophobicContact CZ-CD1 3.98Å; L36-L134 HydrophobicContact CD1-CB 3.66Å; L36-L134 HydrophobicContact CD1-CD1 3.74Å; L36-L134 HydrophobicContact CD1-CG 4.26Å; R130-L134 WeakPolarHBondContact O-CB 3.19Å; R130-L134 PolarHBondContact O-N 2.97Å; Q131-L134 PolarHBondContact O-N 2.88Å; L134-E136 PolarHBondContact O-N 3.47Å; L134-I137 PolarHBondContact O-N 2.81Å |
| 135 | Y | 88.3 | Confident | 95.3 | Very high | 72 Ų | 72 | 48.3 Ų | 48.3 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -23 | 178.2 | -64.6 | -36.2 | 0 | 0 | 0 | 114.2 | V2 Q131 Q133 L241 | V2-Y135 HydrophobicContact CG1-CD1 3.35Å; V2-Y135 HydrophobicContact CG1-CE1 3.64Å; Q131-Y135 HydrophobicContact CB-CE2 4.02Å; Q131-Y135 WeakPolarHBondContact O-CD2 3.49Å; Q131-Y135 VanDerWaalsContact O-CG 3.24Å; Q131-Y135 PolarHBondContact O-N 2.88Å; Q133-Y135 VanDerWaalsContact C-N 3.29Å; Q133-Y135 PolarHBondContact O-N 3Å; Y135-L241 HydrophobicContact CD2-CD1 4.23Å |
| 136 | E | 89.6 | Confident | 95.3 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -6.1 | -175 | -65.1 | -60.3 | 151.5 | 0 | 0 | 113.3 | R28 Q133 L134 | R28-E136 PolarHBondContact NH1-O 3.5Å; Q133-E136 PolarHBondContact O-N 3.43Å; Q133-E136 VanDerWaalsContact O-N 3.14Å; L134-E136 PolarHBondContact O-N 3.47Å |
| 137 | I | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -83.2 | 128.9 | 176.5 | -67.1 | 167.8 | 0 | 0 | 0 | 109 | L3 F8 I19 E23 R32 V33 L36 Q133 L134 Y410 | L3-I137 HydrophobicContact CD1-CG2 3.96Å; F8-I137 HydrophobicContact CE1-CD1 3.8Å; F8-I137 HydrophobicContact CZ-CD1 3.97Å; F8-I137 HydrophobicContact CZ-CG2 4.25Å; I19-I137 HydrophobicContact CG2-CG2 4.03Å; E23-I137 HydrophobicContact CG-CG2 4.32Å; R32-I137 HydrophobicContact CB-CG1 4.2Å; V33-I137 HydrophobicContact CG2-CD1 4.2Å; L36-I137 HydrophobicContact CB-CD1 4.43Å; L36-I137 HydrophobicContact CD1-CD1 3.6Å; Q133-I137 WeakPolarHBondContact O-CG1 3.37Å; Q133-I137 PolarHBondContact O-N 2.9Å; L134-I137 PolarHBondContact O-N 2.81Å; I137-Y410 PolarHBondContact O-OH 2.87Å |
| 138 | G | 94.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 158.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3 E23 | L3-G138 WeakPolarHBondContact CD1-O 3.44Å; E23-G138 PolarHBondContact OE1-N 3.34Å |
| 139 | N | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 163.6 | 172.8 | -162.8 | 5.8 | 0 | 0 | 0 | 111 | N22 R26 L141 N380 A381 C407 Y410 | N22-N139 PolarHBondContact ND2-O 2.78Å; R26-N139 VanDerWaalsContact CZ-O 3.26Å; R26-N139 PolarHBondContact NE-O 3.35Å; R26-N139 PolarHBondContact NH2-O 2.88Å; N139-L141 PolarHBondContact O-N 3.21Å; N139-N380 VanDerWaalsContact CB-O 3.23Å; N139-N380 WeakPolarHBondContact CB-O 3.42Å; N139-N380 PolarHBondContact N-O 2.91Å; N139-A381 WeakPolarHBondContact CB-O 3.34Å; N139-A381 PolarHBondContact ND2-O 3.09Å; N139-C407 PolarHBondContact ND2-O 2.82Å; N139-Y410 HydrophobicContact CB-CD2 3.61Å; N139-Y410 HydrophobicContact CB-CE2 4.09Å; N139-Y410 HydrophobicContact CB-CG 3.96Å |
| 140 | L | 97.5 | Very high | 95.6 | Very high | 44 Ų | 44 | 45.3 Ų | 45.3 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -67.6 | 127 | 174.2 | -62.9 | 179.9 | 0 | 0 | 0 | 110.2 | L3 L7 I19 N22 S383 | L3-L140 HydrophobicContact CD1-CD2 4.39Å; L3-L140 HydrophobicContact CD2-CG 4.11Å; L7-L140 HydrophobicContact CD1-CD1 4.35Å; I19-L140 HydrophobicContact CD1-CD2 3.69Å; N22-L140 HydrophobicContact CB-CD2 4.42Å; L140-S383 VanDerWaalsContact O-CA 3.31Å; L140-S383 WeakPolarHBondContact O-CA 3.43Å; L140-S383 WeakPolarHBondContact O-CB 3.42Å; L140-S383 PolarHBondContact O-OG 3.38Å |
| 141 | L | 98.5 | Very high | 95.5 | Very high | 24 Ų | 24 | 50.5 Ų | 50.5 | 13% | 0.126 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 136.3 | 173.9 | -69 | 174.2 | 0 | 0 | 0 | 110.2 | N22 K25 R26 N139 V145 I147 L378 | N22-L141 WeakPolarHBondContact OD1-CG 3.19Å; N22-L141 PolarHBondContact OD1-N 3.36Å; K25-L141 HydrophobicContact CB-CD1 3.63Å; R26-L141 HydrophobicContact CG-CD1 3.8Å; R26-L141 HydrophobicContact CG-CD2 4.07Å; R26-L141 HydrophobicContact CG-CG 3.98Å; R26-L141 VanDerWaalsContact CZ-CD2 3.47Å; N139-L141 PolarHBondContact O-N 3.21Å; L141-V145 HydrophobicContact CD2-CG1 4.31Å; L141-I147 HydrophobicContact CD1-CD1 4.24Å; L141-L378 HydrophobicContact CD2-CD1 3.49Å; L141-L378 VanDerWaalsContact CD2-CD1 3.49Å |
| 142 | H | 98.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 142.9 | 167.3 | -172.2 | -102.2 | 0 | 0 | 0 | 109.8 | D144 V145 W347 S383 M384 | H142-D144 IonicContact CE1-OD2 3.85Å; H142-D144 PolarHBondContact CE1-OD2 3.35Å; H142-D144 VanDerWaalsContact CE1-OD2 3.26Å; H142-D144 WeakPolarHBondContact ND1-CB 3.32Å; H142-D144 PolarHBondContact ND1-N 3.38Å; H142-D144 IonicContact ND1-OD2 2.76Å; H142-D144 PolarHBondContact O-N 3.02Å; H142-D144 VanDerWaalsContact O-N 3.11Å; H142-V145 HydrophobicContact CB-CG2 4.12Å; H142-V145 WeakPolarHBondContact O-CB 3.34Å; H142-V145 WeakPolarHBondContact O-CG2 3.37Å; H142-V145 PolarHBondContact O-N 3Å; H142-V145 VanDerWaalsContact O-N 3.1Å; H142-W347 HydrophobicContact CB-CH2 3.77Å; H142-W347 HydrophobicContact CB-CZ2 4.11Å; H142-W347 AromaticContact CD2-CE2 3.6Å; H142-W347 AromaticContact CD2-CH2 3.53Å; H142-W347 AromaticContact CD2-CZ2 3.19Å; H142-W347 WeakPolarHBondContact CD2-CZ2 3.48Å; H142-W347 AromaticContact CG-CH2 3.73Å; H142-W347 AromaticContact CG-CZ2 3.86Å; H142-S383 PolarHBondContact N-O 3.37Å; H142-S383 PolarHBondContact N-OG 2.92Å; H142-M384 HydrophobicContact CB-CB 3.85Å; H142-M384 HydrophobicContact CB-SD 4.25Å |
| 143 | P | 97.7 | Very high | 96 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 76% | 0.76 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.6 | -178.9 | -29.2 | 37.2 | 0 | 0 | 0 | 115 | V145 | P143-V145 VanDerWaalsContact C-N 3.33Š|
| 144 | D | 97.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -2.1 | -177.7 | -61.2 | -16.6 | 0 | 0 | 0 | 114 | H142 M384 | H142-D144 IonicContact CE1-OD2 3.85Å; H142-D144 PolarHBondContact CE1-OD2 3.35Å; H142-D144 VanDerWaalsContact CE1-OD2 3.26Å; H142-D144 WeakPolarHBondContact ND1-CB 3.32Å; H142-D144 PolarHBondContact ND1-N 3.38Å; H142-D144 IonicContact ND1-OD2 2.76Å; H142-D144 PolarHBondContact O-N 3.02Å; H142-D144 VanDerWaalsContact O-N 3.11Å; D144-M384 HydrophobicContact CB-SD 4.46Å |
| 145 | V | 98.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -65.1 | 127.4 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | L141 H142 P143 I147 L378 S383 M384 | L141-V145 HydrophobicContact CD2-CG1 4.31Å; H142-V145 HydrophobicContact CB-CG2 4.12Å; H142-V145 WeakPolarHBondContact O-CB 3.34Å; H142-V145 WeakPolarHBondContact O-CG2 3.37Å; H142-V145 PolarHBondContact O-N 3Å; H142-V145 VanDerWaalsContact O-N 3.1Å; P143-V145 VanDerWaalsContact C-N 3.33Å; V145-I147 WeakPolarHBondContact O-CD1 3.21Å; V145-I147 PolarHBondContact O-N 3.41Å; V145-L378 HydrophobicContact CG1-CD1 3.82Å; V145-L378 HydrophobicContact CG2-CD1 4.07Å; V145-S383 WeakPolarHBondContact CG2-O 3.35Å; V145-M384 HydrophobicContact CG2-CB 3.9Å; V145-M384 HydrophobicContact CG2-CG 3.85Å; V145-M384 HydrophobicContact CG2-SD 4.28Å |
| 146 | P | 98.3 | Very high | 96.9 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 17% | 0.169 | 31% | 0.311 | C | S | . | . | trans | -66.6 | 126.2 | 174.6 | 23.3 | -27.5 | 0 | 0 | 0 | 110.5 | S148 L155 S372 V374 S375 | P146-S148 PolarHBondContact O-N 2.83Å; P146-L155 HydrophobicContact CB-CB 4.45Å; P146-L155 HydrophobicContact CG-CB 4.1Å; P146-S372 VanDerWaalsContact CD-OG 3.29Å; P146-S372 WeakPolarHBondContact CD-OG 3.43Å; P146-V374 HydrophobicContact CB-CG1 4.28Å; P146-V374 HydrophobicContact CG-CG1 4.08Å; P146-V374 CarbonylContact O-C 3.51Å; P146-V374 VanDerWaalsContact O-CA 3.29Å; P146-V374 WeakPolarHBondContact O-CA 3.33Å; P146-S375 PolarHBondContact O-N 2.87Å | ||
| 147 | I | 98.5 | Very high | 97.3 | Very high | 90 Ų | 90 | 59 Ų | 59 | 46% | 0.462 | 31% | 0.314 | S | S | . | . | trans | -86.5 | 97.1 | -177.3 | -52.4 | -53.2 | 0 | 0 | 0 | 110.1 | K25 F27 L141 V145 S375 | K25-I147 HydrophobicContact CB-CD1 4.09Å; K25-I147 HydrophobicContact CB-CG2 4.41Å; K25-I147 HydrophobicContact CD-CD1 4.19Å; K25-I147 HydrophobicContact CG-CD1 4.24Å; K25-I147 HydrophobicContact CG-CG2 4.35Å; F27-I147 HydrophobicContact CE2-CG2 4.24Å; F27-I147 HydrophobicContact CZ-CG2 4.33Å; L141-I147 HydrophobicContact CD1-CD1 4.24Å; V145-I147 WeakPolarHBondContact O-CD1 3.21Å; V145-I147 PolarHBondContact O-N 3.41Å; I147-S375 WeakPolarHBondContact CA-OG 3.26Å | ||
| 148 | S | 98.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | trans | -155.2 | 158.7 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | F27 P146 N150 D153 V374 S375 G376 | F27-S148 WeakPolarHBondContact CE2-O 3.36Å; F27-S148 VanDerWaalsContact CZ-C 3.42Å; P146-S148 PolarHBondContact O-N 2.83Å; S148-N150 PolarHBondContact OG-N 2.75Å; S148-N150 VanDerWaalsContact OG-N 3.16Å; S148-D153 WeakPolarHBondContact CB-OD2 3.24Å; S148-D153 PolarHBondContact OG-OD2 3.47Å; S148-V374 WeakPolarHBondContact O-CB 3.11Å; S148-V374 WeakPolarHBondContact O-CG2 3.29Å; S148-S375 PolarHBondContact N-OG 2.93Å; S148-G376 PolarHBondContact O-N 3.22Å | ||
| 149 | N | 97.4 | Very high | 97.6 | Very high | 87 Ų | 87 | 66.1 Ų | 66.1 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -110.9 | 23.2 | 172.1 | -158.6 | 73.3 | 0 | 0 | 0 | 111.5 | F27 | F27-N149 HydrophobicContact CB-CB 4.26Å; F27-N149 WeakPolarHBondContact CB-OD1 3.17Å; F27-N149 HydrophobicContact CD1-CB 3.56Å; F27-N149 HydrophobicContact CD2-CB 3.71Å; F27-N149 HydrophobicContact CE1-CB 3.71Å; F27-N149 HydrophobicContact CE2-CB 3.89Å; F27-N149 HydrophobicContact CG-CB 3.55Å; F27-N149 WeakPolarHBondContact CG-OD1 3.17Å; F27-N149 HydrophobicContact CZ-CB 3.88Å |
| 150 | N | 97.1 | Very high | 97.7 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | trans | -125.9 | 118.2 | 175.8 | -176.6 | 6.1 | 0 | 0 | 0 | 108.7 | S148 E152 D153 | S148-N150 PolarHBondContact OG-N 2.75Å; S148-N150 VanDerWaalsContact OG-N 3.16Å; N150-E152 PolarHBondContact ND2-OE2 3.25Å; N150-E152 PolarHBondContact O-N 2.61Å; N150-E152 VanDerWaalsContact O-N 3.15Å; N150-E152 PolarHBondContact OD1-N 3.17Å; N150-E152 VanDerWaalsContact OD1-N 3.15Å; N150-D153 WeakPolarHBondContact O-CB 3.35Å; N150-D153 PolarHBondContact O-N 3.01Å | ||
| 151 | E | 94.2 | Very high | 97.6 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -56.5 | -26.1 | 176.4 | -76.7 | -178.7 | -177.5 | 0 | 0 | 113.1 | D153 N154 E377 | E151-D153 PolarHBondContact O-N 3.04Å; E151-N154 VanDerWaalsContact O-CB 3.27Å; E151-N154 WeakPolarHBondContact O-CB 3.38Å; E151-N154 PolarHBondContact O-N 3.2Å; E151-N154 VanDerWaalsContact O-N 3.11Å; E151-N154 PolarHBondContact O-ND2 2.64Å; E151-N154 VanDerWaalsContact O-ND2 3.15Å; E151-E377 HydrophobicContact CG-CG 3.54Å |
| 152 | E | 95 | Very high | 97.3 | Very high | 169 Ų | 169 | 70 Ų | 70 | 79% | 0.79 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -64 | -21.5 | 175.9 | -61.6 | -178.6 | 153.4 | 0 | 0 | 112.7 | N150 N154 | N150-E152 PolarHBondContact ND2-OE2 3.25Å; N150-E152 PolarHBondContact O-N 2.61Å; N150-E152 VanDerWaalsContact O-N 3.15Å; N150-E152 PolarHBondContact OD1-N 3.17Å; N150-E152 VanDerWaalsContact OD1-N 3.15Å; E152-N154 VanDerWaalsContact C-N 3.28Å; E152-N154 PolarHBondContact O-N 2.86Å |
| 153 | D | 97.5 | Very high | 97.1 | Very high | 87 Ų | 87 | 70 Ų | 70 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -86.5 | 6 | 177.4 | -61 | -30.6 | 0 | 0 | 0 | 113 | S148 N150 E151 L155 V374 | S148-D153 WeakPolarHBondContact CB-OD2 3.24Å; S148-D153 PolarHBondContact OG-OD2 3.47Å; N150-D153 WeakPolarHBondContact O-CB 3.35Å; N150-D153 PolarHBondContact O-N 3.01Å; E151-D153 PolarHBondContact O-N 3.04Å; D153-L155 PolarHBondContact O-N 3.4Å; D153-V374 VanDerWaalsContact C-CG1 3.48Å; D153-V374 HydrophobicContact CB-CG1 3.99Å; D153-V374 WeakPolarHBondContact O-CG1 3.48Å |
| 154 | N | 98.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 70.5 Ų | 70.5 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | trans | -53.3 | 126.5 | 172.5 | -77.9 | -19.3 | 0 | 0 | 0 | 110.6 | E151 E152 V156 V371 S372 I373 V374 | E151-N154 VanDerWaalsContact O-CB 3.27Å; E151-N154 WeakPolarHBondContact O-CB 3.38Å; E151-N154 PolarHBondContact O-N 3.2Å; E151-N154 VanDerWaalsContact O-N 3.11Å; E151-N154 PolarHBondContact O-ND2 2.64Å; E151-N154 VanDerWaalsContact O-ND2 3.15Å; E152-N154 VanDerWaalsContact C-N 3.28Å; E152-N154 PolarHBondContact O-N 2.86Å; N154-V156 PolarHBondContact O-N 2.82Å; N154-V371 HydrophobicContact CB-CB 4.25Å; N154-S372 WeakPolarHBondContact CA-O 3.47Å; N154-I373 WeakPolarHBondContact ND2-CD1 3.48Å; N154-I373 WeakPolarHBondContact OD1-CA 3.49Å; N154-V374 WeakPolarHBondContact OD1-CG1 3.2Å; N154-V374 PolarHBondContact OD1-N 3.28Å | ||
| 155 | L | 98.3 | Very high | 96.6 | Very high | 91 Ų | 91 | 67.8 Ų | 67.8 | 48% | 0.476 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.4 | -173.9 | 175.9 | 65.1 | 0 | 0 | 0 | 110.6 | P146 D153 I157 V371 S372 | P146-L155 HydrophobicContact CB-CB 4.45Å; P146-L155 HydrophobicContact CG-CB 4.1Å; D153-L155 PolarHBondContact O-N 3.4Å; L155-I157 HydrophobicContact CB-CD1 4.49Å; L155-I157 HydrophobicContact CD2-CD1 3.76Å; L155-I157 HydrophobicContact CG-CD1 3.87Å; L155-I157 PolarHBondContact O-N 3Å; L155-V371 CarbonylContact O-C 3.53Å; L155-V371 VanDerWaalsContact O-CA 3.24Å; L155-V371 WeakPolarHBondContact O-CA 3.49Å; L155-S372 PolarHBondContact N-O 3.38Å; L155-S372 VanDerWaalsContact N-O 3.08Å; L155-S372 PolarHBondContact O-N 3.23Å |
| 156 | V | 98.4 | Very high | 96.5 | Very high | 68 Ų | 68 | 75.6 Ų | 75.6 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 114.5 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 110 | N154 R369 V371 | N154-V156 PolarHBondContact O-N 2.82Å; V156-R369 HydrophobicContact CG1-CB 4.38Å; V156-V371 HydrophobicContact CG2-CG1 4.05Å |
| 157 | I | 98.2 | Very high | 96.4 | Very high | 56 Ų | 56 | 77.2 Ų | 77.2 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -44.3 | -179 | -54.8 | -60.8 | 0 | 0 | 0 | 111 | L155 V370 Y386 | L155-I157 HydrophobicContact CB-CD1 4.49Å; L155-I157 HydrophobicContact CD2-CD1 3.76Å; L155-I157 HydrophobicContact CG-CD1 3.87Å; L155-I157 PolarHBondContact O-N 3Å; I157-V370 HydrophobicContact CB-CG1 4.44Å; I157-V370 PolarHBondContact N-O 3.47Å; I157-Y386 HydrophobicContact CD1-CE1 4.43Å; I157-Y386 HydrophobicContact CG1-CE1 4.05Å; I157-Y386 HydrophobicContact CG2-CE2 4.41Å |
| 158 | R | 97.7 | Very high | 96.2 | Very high | 87 Ų | 87 | 78.6 Ų | 78.6 | 33% | 0.328 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.2 | -179 | -71.6 | -176.5 | -69.8 | -85.3 | 8.4 | 111.2 | E358 R369 V370 | R158-E358 IonicContact CZ-OE1 3.25Å; R158-E358 IonicContact CZ-OE2 2.96Å; R158-E358 IonicContact NE-OE1 2.92Å; R158-E358 PolarHBondContact NE-OE1 3.33Å; R158-E358 IonicContact NE-OE2 3.73Å; R158-E358 PolarHBondContact NE-OE2 3.19Å; R158-E358 VanDerWaalsContact NE-OE2 3.12Å; R158-E358 IonicContact NH2-OE2 3.73Å; R158-E358 PolarHBondContact NH2-OE2 2.91Å; R158-R369 CarbonylContact O-C 3.58Å; R158-R369 VanDerWaalsContact O-CA 3.26Å; R158-R369 WeakPolarHBondContact O-CA 3.45Å; R158-R369 WeakPolarHBondContact O-CB 3.3Å; R158-V370 HydrophobicContact CB-CB 4.24Å; R158-V370 HydrophobicContact CB-CG2 4.38Å; R158-V370 PolarHBondContact N-O 2.97Å; R158-V370 PolarHBondContact O-N 3.33Å |
| 159 | T | 98 | Very high | 96.1 | Very high | 64 Ų | 64 | 79.9 Ų | 79.9 | 39% | 0.393 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144 | 172.3 | -58.8 | 0 | 0 | 0 | 0 | 109 | Y368 | T159-Y368 WeakPolarHBondContact CA-O 3.33Å |
| 160 | F | 98 | Very high | 96.1 | Very high | 47 Ų | 47 | 77.3 Ų | 77.3 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.6 | 178.5 | 179.3 | -93.8 | 0 | 0 | 0 | 110.5 | Q362 P367 Y368 Y498 | F160-Q362 HydrophobicContact CD1-CG 4.05Å; F160-Q362 HydrophobicContact CD2-CG 3.92Å; F160-Q362 HydrophobicContact CE1-CB 4.29Å; F160-Q362 HydrophobicContact CE1-CG 3.87Å; F160-Q362 HydrophobicContact CE2-CG 3.72Å; F160-Q362 HydrophobicContact CG-CG 4.08Å; F160-Q362 HydrophobicContact CZ-CB 4.1Å; F160-Q362 HydrophobicContact CZ-CG 3.7Å; F160-P367 CarbonylContact O-C 3.44Å; F160-P367 VanDerWaalsContact O-CA 3.23Å; F160-P367 WeakPolarHBondContact O-CA 3.47Å; F160-Y368 HydrophobicContact CB-CD1 3.93Å; F160-Y368 HydrophobicContact CB-CD2 4.24Å; F160-Y368 HydrophobicContact CB-CE1 3.5Å; F160-Y368 HydrophobicContact CB-CE2 3.81Å; F160-Y368 HydrophobicContact CB-CG 4.27Å; F160-Y368 VanDerWaalsContact CB-CZ 3.42Å; F160-Y368 HydrophobicContact CD1-CD1 4.01Å; F160-Y368 AromaticContact CD1-CE1 3.64Å; F160-Y368 HydrophobicContact CD1-CE1 3.64Å; F160-Y368 HydrophobicContact CG-CD1 4.33Å; F160-Y368 AromaticContact CG-CE1 3.71Å; F160-Y368 HydrophobicContact CG-CE1 3.71Å; F160-Y368 AromaticContact CG-CZ 3.96Å; F160-Y368 PolarHBondContact N-O 3.19Å; F160-Y368 PolarHBondContact O-N 3.19Å; F160-Y498 HydrophobicContact CE2-CD2 4.21Å; F160-Y498 HydrophobicContact CE2-CE2 4Å; F160-Y498 HydrophobicContact CZ-CD2 4.49Å |
| 161 | G | 95.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 74.9 Ų | 74.9 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 74.5 | -174.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 162 | K | 92.4 | Very high | 96.2 | Very high | 77 Ų | 77 | 70 Ų | 70 | 34% | 0.335 | 36% | 0.36 | S | S | . | . | trans | -91.7 | 140.4 | 179 | -76.1 | -174.9 | 159.2 | -175.4 | 0 | 111.4 | F165 P367 I497 | K162-F165 HydrophobicContact CB-CD1 4.29Å; K162-F165 HydrophobicContact CB-CE1 4.43Å; K162-F165 VanDerWaalsContact O-CE1 3.24Å; K162-F165 WeakPolarHBondContact O-CE1 3.4Å; K162-P367 WeakPolarHBondContact O-CB 3.48Å; K162-P367 WeakPolarHBondContact O-CG 3.19Å; K162-I497 HydrophobicContact CD-CB 4.21Å; K162-I497 HydrophobicContact CD-CG1 4.44Å; K162-I497 VanDerWaalsContact NZ-CD1 3.25Å | ||
| 163 | S | 92.6 | Very high | 96.3 | Very high | 38 Ų | 38 | 65 Ų | 65 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | trans | -134 | 21.1 | 178.9 | 52.6 | 0 | 0 | 0 | 0 | 112.2 | W391 | S163-W391 VanDerWaalsContact O-CE2 3.31Å; S163-W391 WeakPolarHBondContact O-CH2 3.33Å; S163-W391 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 164 | D | 91.7 | Very high | 96.3 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 68% | 0.679 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -103.2 | 8 | -177.9 | 62.9 | -24.8 | 0 | 0 | 0 | 113.2 | ||
| 165 | F | 94.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 23% | 0.228 | 31% | 0.31 | C | S | . | . | trans | -112.9 | 156.9 | -176.6 | 72.4 | -89.3 | 0 | 0 | 0 | 113 | K162 K167 P367 W391 P393 N452 | K162-F165 HydrophobicContact CB-CD1 4.29Å; K162-F165 HydrophobicContact CB-CE1 4.43Å; K162-F165 VanDerWaalsContact O-CE1 3.24Å; K162-F165 WeakPolarHBondContact O-CE1 3.4Å; F165-K167 HydrophobicContact CD2-CG 4.23Å; F165-K167 HydrophobicContact CE2-CG 4.07Å; F165-P367 HydrophobicContact CE1-CG 4.27Å; F165-P367 HydrophobicContact CZ-CG 4.49Å; F165-W391 AromaticContact CE1-CD1 3.78Å; F165-W391 AromaticContact CE1-NE1 3.92Å; F165-W391 AromaticContact CZ-CD1 3.74Å; F165-W391 WeakPolarHBondContact O-CZ2 3.15Å; F165-W391 PolarHBondContact O-NE1 3.46Å; F165-W391 VanDerWaalsContact O-NE1 3.16Å; F165-P393 HydrophobicContact CD2-CB 3.82Å; F165-P393 HydrophobicContact CE2-CB 3.49Å; F165-P393 VanDerWaalsContact CE2-CB 3.49Å; F165-P393 HydrophobicContact CE2-CG 3.79Å; F165-P393 HydrophobicContact CZ-CB 4.27Å; F165-P393 HydrophobicContact CZ-CG 4.41Å; F165-N452 WeakPolarHBondContact CZ-OD1 3.44Å | ||
| 166 | R | 96.5 | Very high | 96.3 | Very high | 170 Ų | 170 | 59.9 Ų | 59.9 | 64% | 0.642 | 31% | 0.311 | S | S | * | . | trans | -119.8 | 156 | 176.9 | -57.6 | -66.2 | -90.8 | -87.6 | 2.2 | 110.9 | P393 S395 | R166-P393 WeakPolarHBondContact CA-O 3.32Å; R166-P393 WeakPolarHBondContact CD-O 3.49Å; R166-S395 PolarHBondContact NH2-O 2.88Å | ||
| 167 | K | 95.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | trans | -129.5 | 149.9 | 174 | -68.2 | -74.4 | -171 | 166.7 | 0 | 109.3 | F165 L169 P393 Q454 | F165-K167 HydrophobicContact CD2-CG 4.23Å; F165-K167 HydrophobicContact CE2-CG 4.07Å; K167-L169 PolarHBondContact O-N 3.22Å; K167-P393 HydrophobicContact CB-CB 3.98Å; K167-P393 HydrophobicContact CB-CG 4.01Å; K167-P393 HydrophobicContact CG-CB 3.69Å; K167-P393 HydrophobicContact CG-CG 3.64Å; K167-P393 PolarHBondContact N-O 3.39Å; K167-Q454 HydrophobicContact CB-CG 4.27Å; K167-Q454 HydrophobicContact CD-CG 4.07Å; K167-Q454 HydrophobicContact CG-CG 4.36Å | ||
| 168 | P | 94.7 | Very high | 96.3 | Very high | 119 Ų | 119 | 57.3 Ų | 57.3 | 77% | 0.773 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -69.9 | -31.5 | -170 | 26 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 169 | L | 96.6 | Very high | 96.3 | Very high | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | trans | -113.7 | 143.9 | -174.3 | -56.2 | 168.7 | 0 | 0 | 0 | 111.3 | K167 D173 L174 M177 Q454 F479 | K167-L169 PolarHBondContact O-N 3.22Å; L169-D173 HydrophobicContact CD2-CB 4.41Å; L169-L174 HydrophobicContact CB-CD1 4.2Å; L169-L174 HydrophobicContact CB-CD2 3.77Å; L169-L174 HydrophobicContact CB-CG 3.82Å; L169-L174 HydrophobicContact CD1-CD2 3.63Å; L169-L174 HydrophobicContact CG-CD2 4.37Å; L169-M177 HydrophobicContact CD1-CE 3.8Å; L169-M177 HydrophobicContact CD1-SD 3.56Å; L169-M177 VanDerWaalsContact CD1-SD 3.56Å; L169-M177 HydrophobicContact CD2-SD 4.4Å; L169-Q454 VanDerWaalsContact N-OE1 3.1Å; L169-Q454 PolarHBondContact O-NE2 3.23Å; L169-F479 HydrophobicContact CD1-CZ 4.5Å | ||
| 170 | S | 96.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 53 Ų | 53 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | trans | -91.6 | 164.6 | 169.4 | 73.2 | 0 | 0 | 0 | 0 | 110.7 | V172 D173 L174 E451 | S170-V172 PolarHBondContact O-N 3.1Å; S170-V172 WeakPolarHBondContact OG-CB 3.46Å; S170-V172 PolarHBondContact OG-N 3.33Å; S170-D173 PolarHBondContact O-N 3.47Å; S170-D173 VanDerWaalsContact O-N 3.13Å; S170-L174 VanDerWaalsContact O-CG 3.27Å; S170-L174 WeakPolarHBondContact O-CG 3.39Å; S170-L174 PolarHBondContact O-N 3.39Å; S170-L174 VanDerWaalsContact O-N 3.13Å; S170-E451 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 171 | H | 97.3 | Very high | 96.3 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.06 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -53.9 | -28.4 | 174.7 | 62.6 | -85.8 | 0 | 0 | 0 | 112.8 | D173 L174 V175 F325 C447 E451 | H171-D173 VanDerWaalsContact C-N 3.32Å; H171-D173 PolarHBondContact O-N 3.35Å; H171-L174 PolarHBondContact O-N 2.9Å; H171-V175 VanDerWaalsContact O-CG1 3.29Å; H171-V175 WeakPolarHBondContact O-CG1 3.29Å; H171-V175 VanDerWaalsContact O-CG2 3.32Å; H171-V175 WeakPolarHBondContact O-CG2 3.37Å; H171-V175 PolarHBondContact O-N 2.83Å; H171-F325 WeakPolarHBondContact NE2-CB 3.27Å; H171-C447 HydrophobicContact CB-CB 3.57Å; H171-C447 PolarHBondContact CD2-SG 3.15Å; H171-C447 VanDerWaalsContact CG-SG 3.59Å; H171-E451 HydrophobicContact CB-CG 4.1Å; H171-E451 IonicContact CE1-OE1 3.99Å; H171-E451 IonicContact CG-OE1 3.96Å; H171-E451 VanDerWaalsContact N-CG 3.31Å; H171-E451 PolarHBondContact N-OE1 3.36Å; H171-E451 IonicContact ND1-OE1 3.05Å; H171-E451 PolarHBondContact ND1-OE1 3.12Å |
| 172 | V | 96.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 52.7 Ų | 52.7 | 10% | 0.097 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 179.4 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | S170 V175 R322 | S170-V172 PolarHBondContact O-N 3.1Å; S170-V172 WeakPolarHBondContact OG-CB 3.46Å; S170-V172 PolarHBondContact OG-N 3.33Å; V172-V175 WeakPolarHBondContact O-CG2 3.33Å; V172-R322 HydrophobicContact CG1-CB 4.03Å; V172-R322 HydrophobicContact CG2-CB 3.68Å |
| 173 | D | 97.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 34% | 0.342 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -83.5 | -40.1 | 178.7 | -53.9 | -57.4 | 0 | 0 | 0 | 110.3 | L169 S170 H171 V175 I176 M177 | L169-D173 HydrophobicContact CD2-CB 4.41Å; S170-D173 PolarHBondContact O-N 3.47Å; S170-D173 VanDerWaalsContact O-N 3.13Å; H171-D173 VanDerWaalsContact C-N 3.32Å; H171-D173 PolarHBondContact O-N 3.35Å; D173-V175 VanDerWaalsContact C-N 3.35Å; D173-V175 PolarHBondContact O-N 2.8Å; D173-I176 WeakPolarHBondContact O-CB 3.39Å; D173-I176 PolarHBondContact O-N 3.08Å; D173-M177 HydrophobicContact CB-SD 4.39Å; D173-M177 WeakPolarHBondContact O-CG 3.47Å; D173-M177 PolarHBondContact O-N 2.79Å |
| 174 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -38.3 | -175.5 | -65.9 | 167.7 | 0 | 0 | 0 | 112.7 | L169 S170 H171 I176 M177 V178 L450 E451 Q454 I459 F479 | L169-L174 HydrophobicContact CB-CD1 4.2Å; L169-L174 HydrophobicContact CB-CD2 3.77Å; L169-L174 HydrophobicContact CB-CG 3.82Å; L169-L174 HydrophobicContact CD1-CD2 3.63Å; L169-L174 HydrophobicContact CG-CD2 4.37Å; S170-L174 VanDerWaalsContact O-CG 3.27Å; S170-L174 WeakPolarHBondContact O-CG 3.39Å; S170-L174 PolarHBondContact O-N 3.39Å; S170-L174 VanDerWaalsContact O-N 3.13Å; H171-L174 PolarHBondContact O-N 2.9Å; L174-I176 PolarHBondContact O-N 2.98Å; L174-M177 PolarHBondContact O-N 3.12Å; L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.24Å; L174-V178 PolarHBondContact O-N 2.61Å; L174-L450 HydrophobicContact CB-CB 4.11Å; L174-L450 HydrophobicContact CB-CD1 4.36Å; L174-L450 HydrophobicContact CD1-CB 4.02Å; L174-L450 WeakPolarHBondContact CD1-O 3.44Å; L174-E451 HydrophobicContact CD1-CG 4.21Å; L174-Q454 HydrophobicContact CD1-CB 4.19Å; L174-Q454 HydrophobicContact CD2-CB 4.04Å; L174-I459 HydrophobicContact CD2-CD1 3.98Å; L174-F479 HydrophobicContact CD2-CE1 3.81Å; L174-F479 HydrophobicContact CD2-CZ 3.68Å |
| 175 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63 | -30.2 | 176.7 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | H171 V172 D173 G180 F181 L201 I324 L450 | H171-V175 VanDerWaalsContact O-CG1 3.29Å; H171-V175 WeakPolarHBondContact O-CG1 3.29Å; H171-V175 VanDerWaalsContact O-CG2 3.32Å; H171-V175 WeakPolarHBondContact O-CG2 3.37Å; H171-V175 PolarHBondContact O-N 2.83Å; V172-V175 WeakPolarHBondContact O-CG2 3.33Å; D173-V175 VanDerWaalsContact C-N 3.35Å; D173-V175 PolarHBondContact O-N 2.8Å; V175-G180 WeakPolarHBondContact O-CA 3.31Å; V175-G180 PolarHBondContact O-N 3.29Å; V175-F181 HydrophobicContact CB-CB 3.71Å; V175-F181 HydrophobicContact CB-CG 4.29Å; V175-F181 HydrophobicContact CG2-CB 3.8Å; V175-F181 HydrophobicContact CG2-CD1 3.8Å; V175-F181 HydrophobicContact CG2-CE1 4.5Å; V175-F181 HydrophobicContact CG2-CG 3.86Å; V175-F181 PolarHBondContact O-N 3.36Å; V175-L201 HydrophobicContact CB-CD1 3.95Å; V175-L201 HydrophobicContact CG1-CD1 3.81Å; V175-I324 HydrophobicContact CG1-CD1 4.05Å; V175-I324 HydrophobicContact CG1-CG1 4.26Å; V175-L450 HydrophobicContact CB-CD1 4.4Å; V175-L450 HydrophobicContact CG1-CD1 3.37Å |
| 176 | I | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 55 Ų | 55 | 49% | 0.492 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -80.1 | -45.5 | 176 | -61 | 169.9 | 0 | 0 | 0 | 109.9 | D173 L174 V178 D179 F181 | D173-I176 WeakPolarHBondContact O-CB 3.39Å; D173-I176 PolarHBondContact O-N 3.08Å; L174-I176 PolarHBondContact O-N 2.98Å; I176-V178 VanDerWaalsContact C-N 3.28Å; I176-V178 PolarHBondContact O-N 2.94Å; I176-D179 WeakPolarHBondContact O-CA 3.27Å; I176-D179 PolarHBondContact O-N 3.27Å; I176-F181 HydrophobicContact CG1-CD1 4.13Å |
| 177 | M | 98 | Very high | 97.2 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.2 | -34.1 | -176.5 | -71.2 | 175.9 | 68.6 | 0 | 0 | 112.5 | L169 D173 L174 D179 F479 K480 | L169-M177 HydrophobicContact CD1-CE 3.8Å; L169-M177 HydrophobicContact CD1-SD 3.56Å; L169-M177 VanDerWaalsContact CD1-SD 3.56Å; L169-M177 HydrophobicContact CD2-SD 4.4Å; D173-M177 HydrophobicContact CB-SD 4.39Å; D173-M177 WeakPolarHBondContact O-CG 3.47Å; D173-M177 PolarHBondContact O-N 2.79Å; L174-M177 PolarHBondContact O-N 3.12Å; M177-D179 PolarHBondContact O-N 3.46Å; M177-F479 HydrophobicContact CB-CB 4.47Å; M177-F479 HydrophobicContact CB-CD1 3.56Å; M177-F479 HydrophobicContact CB-CE1 3.95Å; M177-F479 HydrophobicContact CB-CG 4.05Å; M177-F479 HydrophobicContact CE-CD1 4.27Å; M177-F479 HydrophobicContact CE-CD2 3.57Å; M177-F479 HydrophobicContact CE-CE1 4.28Å; M177-F479 HydrophobicContact CE-CE2 3.58Å; M177-F479 HydrophobicContact CE-CG 3.95Å; M177-F479 HydrophobicContact CE-CZ 3.96Å; M177-F479 CarbonylContact O-C 3.47Å; M177-F479 VanDerWaalsContact O-CA 3.22Å; M177-F479 WeakPolarHBondContact O-CA 3.49Å; M177-K480 PolarHBondContact O-N 3.03Å |
| 178 | V | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6.1 | 173.4 | -58.2 | 0 | 0 | 0 | 0 | 114 | L174 I176 G180 P200 L201 I459 I477 F479 | L174-V178 VanDerWaalsContact O-CG2 3.31Å; L174-V178 WeakPolarHBondContact O-CG2 3.24Å; L174-V178 PolarHBondContact O-N 2.61Å; I176-V178 VanDerWaalsContact C-N 3.28Å; I176-V178 PolarHBondContact O-N 2.94Å; V178-G180 PolarHBondContact O-N 3.12Å; V178-P200 HydrophobicContact CB-CG 4.34Å; V178-P200 HydrophobicContact CG2-CG 4.34Å; V178-P200 VanDerWaalsContact O-CG 3.27Å; V178-P200 WeakPolarHBondContact O-CG 3.37Å; V178-L201 HydrophobicContact CG2-CD1 4.14Å; V178-L201 HydrophobicContact CG2-CD2 4.15Å; V178-L201 HydrophobicContact CG2-CG 4.06Å; V178-I459 HydrophobicContact CG1-CD1 4.49Å; V178-I459 HydrophobicContact CG1-CG1 3.68Å; V178-I477 HydrophobicContact CB-CG2 3.72Å; V178-I477 HydrophobicContact CG1-CG2 3.81Å; V178-F479 HydrophobicContact CG1-CD1 3.74Å; V178-F479 HydrophobicContact CG1-CE1 3.9Å |
| 179 | D | 97.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 33% | 0.326 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.8 | -171.6 | -164 | 45 | 0 | 0 | 0 | 112.6 | I176 M177 K198 | I176-D179 WeakPolarHBondContact O-CA 3.27Å; I176-D179 PolarHBondContact O-N 3.27Å; M177-D179 PolarHBondContact O-N 3.46Å; D179-K198 WeakPolarHBondContact O-CE 3.42Å; D179-K198 WeakPolarHBondContact O-CG 3.16Å; D179-K198 IonicContact OD1-NZ 2.91Å; D179-K198 PolarHBondContact OD1-NZ 2.91Å; D179-K198 WeakPolarHBondContact OD2-CE 3.38Å; D179-K198 IonicContact OD2-NZ 2.83Å; D179-K198 PolarHBondContact OD2-NZ 2.73Å |
| 180 | G | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -100 | -11.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V175 V178 K198 | V175-G180 WeakPolarHBondContact O-CA 3.31Å; V175-G180 PolarHBondContact O-N 3.29Å; V178-G180 PolarHBondContact O-N 3.12Å; G180-K198 CarbonylContact C-O 3.54Å; G180-K198 WeakPolarHBondContact CA-O 3.32Å; G180-K198 WeakPolarHBondContact O-CG 3.23Å; G180-K198 PolarHBondContact O-N 3.39Å; G180-K198 VanDerWaalsContact O-O 3.13Å | ||
| 181 | F | 98.2 | Very high | 97.2 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 13% | 0.132 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 145.2 | -170.4 | 164.2 | -94 | 0 | 0 | 0 | 111.3 | V175 I176 Y195 F196 I324 | V175-F181 HydrophobicContact CB-CB 3.71Å; V175-F181 HydrophobicContact CB-CG 4.29Å; V175-F181 HydrophobicContact CG2-CB 3.8Å; V175-F181 HydrophobicContact CG2-CD1 3.8Å; V175-F181 HydrophobicContact CG2-CE1 4.5Å; V175-F181 HydrophobicContact CG2-CG 3.86Å; V175-F181 PolarHBondContact O-N 3.36Å; I176-F181 HydrophobicContact CG1-CD1 4.13Å; F181-Y195 HydrophobicContact CD2-CD2 4.06Å; F181-Y195 HydrophobicContact CD2-CG 4.36Å; F181-Y195 HydrophobicContact CE2-CD2 4.19Å; F181-Y195 HydrophobicContact CE2-CG 4.04Å; F181-F196 CarbonylContact C-O 3.58Å; F181-F196 WeakPolarHBondContact CA-O 3.15Å; F181-I324 HydrophobicContact CD2-CG2 3.29Å; F181-I324 HydrophobicContact CE2-CG2 3.43Å; F181-I324 VanDerWaalsContact CE2-CG2 3.43Å; F181-I324 HydrophobicContact CG-CG2 4.33Å |
| 182 | D | 97.8 | Very high | 96.9 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 95.5 | 169.6 | -169.5 | -27.1 | 0 | 0 | 0 | 110.5 | E184 R185 G186 F196 K198 | D182-E184 PolarHBondContact OD1-N 3.18Å; D182-R185 WeakPolarHBondContact OD1-CB 3.39Å; D182-R185 WeakPolarHBondContact OD1-CG 3.36Å; D182-R185 PolarHBondContact OD1-N 3.46Å; D182-R185 WeakPolarHBondContact OD2-CD 3.36Å; D182-R185 VanDerWaalsContact OD2-CG 3.32Å; D182-R185 WeakPolarHBondContact OD2-CG 3.43Å; D182-R185 IonicContact OD2-NE 2.68Å; D182-G186 PolarHBondContact O-N 2.86Å; D182-F196 HydrophobicContact CB-CB 4.28Å; D182-F196 PolarHBondContact N-O 3.32Å; D182-F196 PolarHBondContact O-N 3.15Å; D182-K198 HydrophobicContact CB-CD 4.47Å |
| 183 | G | 96.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -82.5 | -24.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S187 | G183-S187 VanDerWaalsContact O-CB 3.24Å; G183-S187 WeakPolarHBondContact O-CB 3.16Å; G183-S187 PolarHBondContact O-N 2.9Å; G183-S187 PolarHBondContact O-OG 2.95Å |
| 184 | E | 96.6 | Very high | 96.6 | Very high | 159 Ų | 159 | 54.9 Ų | 54.9 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.4 | -50.7 | 179 | -176.2 | -172.6 | 168.4 | 0 | 0 | 110.2 | D182 G186 S187 T188 | D182-E184 PolarHBondContact OD1-N 3.18Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 2.99Å; E184-S187 PolarHBondContact O-N 2.74Å; E184-T188 PolarHBondContact O-N 3.18Å; E184-T188 PolarHBondContact O-OG1 3.48Å |
| 185 | R | 97.8 | Very high | 96.6 | Very high | 168 Ų | 168 | 57 Ų | 57 | 63% | 0.634 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.7 | -37.8 | 175.2 | -65.4 | -171.6 | -177.1 | 175.5 | -3.7 | 111.4 | D182 S187 T188 V189 F196 | D182-R185 WeakPolarHBondContact OD1-CB 3.39Å; D182-R185 WeakPolarHBondContact OD1-CG 3.36Å; D182-R185 PolarHBondContact OD1-N 3.46Å; D182-R185 WeakPolarHBondContact OD2-CD 3.36Å; D182-R185 VanDerWaalsContact OD2-CG 3.32Å; D182-R185 WeakPolarHBondContact OD2-CG 3.43Å; D182-R185 IonicContact OD2-NE 2.68Å; R185-S187 VanDerWaalsContact C-N 3.34Å; R185-S187 PolarHBondContact O-N 3.35Å; R185-T188 PolarHBondContact O-N 2.82Å; R185-V189 WeakPolarHBondContact O-CG2 3.23Å; R185-V189 PolarHBondContact O-N 3.2Å; R185-F196 HydrophobicContact CB-CD2 3.94Å; R185-F196 HydrophobicContact CB-CE2 3.94Å |
| 186 | G | 97.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | D182 E184 T188 V189 A190 G194 | D182-G186 PolarHBondContact O-N 2.86Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 2.99Å; G186-T188 VanDerWaalsContact C-N 3.31Å; G186-T188 PolarHBondContact O-N 3.1Å; G186-V189 PolarHBondContact O-N 3.39Å; G186-A190 PolarHBondContact O-N 2.7Å; G186-G194 CarbonylContact C-O 3.59Å; G186-G194 VanDerWaalsContact CA-C 3.49Å; G186-G194 WeakPolarHBondContact CA-O 3.48Å |
| 187 | S | 95.6 | Very high | 96.6 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 178 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | G183 E184 R185 V189 G191 G194 | G183-S187 VanDerWaalsContact O-CB 3.24Å; G183-S187 WeakPolarHBondContact O-CB 3.16Å; G183-S187 PolarHBondContact O-N 2.9Å; G183-S187 PolarHBondContact O-OG 2.95Å; E184-S187 PolarHBondContact O-N 2.74Å; R185-S187 VanDerWaalsContact C-N 3.34Å; R185-S187 PolarHBondContact O-N 3.35Å; S187-V189 VanDerWaalsContact C-N 3.34Å; S187-V189 PolarHBondContact O-N 3.19Å; S187-G191 VanDerWaalsContact CA-O 3.28Å; S187-G191 WeakPolarHBondContact CA-O 2.99Å; S187-G191 CarbonylContact O-C 3.47Å; S187-G191 VanDerWaalsContact O-CA 3.22Å; S187-G191 WeakPolarHBondContact O-CA 3.21Å; S187-G191 PolarHBondContact O-N 3.21Å; S187-G194 PolarHBondContact N-O 3.14Å; S187-G194 VanDerWaalsContact N-O 3.16Å |
| 188 | T | 98.2 | Very high | 96.6 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 72% | 0.724 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.4 | -37.2 | 175.2 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | E184 R185 G186 | E184-T188 PolarHBondContact O-N 3.18Å; E184-T188 PolarHBondContact O-OG1 3.48Å; R185-T188 PolarHBondContact O-N 2.82Å; G186-T188 VanDerWaalsContact C-N 3.31Å; G186-T188 PolarHBondContact O-N 3.1Å |
| 189 | V | 97.7 | Very high | 96.6 | Very high | 109 Ų | 109 | 60 Ų | 60 | 66% | 0.661 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -88 | -42.3 | -174.6 | 172.5 | 0 | 0 | 0 | 0 | 112.8 | R185 G186 S187 F196 | R185-V189 WeakPolarHBondContact O-CG2 3.23Å; R185-V189 PolarHBondContact O-N 3.2Å; G186-V189 PolarHBondContact O-N 3.39Å; S187-V189 VanDerWaalsContact C-N 3.34Å; S187-V189 PolarHBondContact O-N 3.19Å; V189-F196 HydrophobicContact CB-CE2 4.4Å; V189-F196 HydrophobicContact CB-CZ 4.42Å; V189-F196 HydrophobicContact CG1-CZ 4.49Å; V189-F196 HydrophobicContact CG2-CE2 4.15Å; V189-F196 HydrophobicContact CG2-CZ 4.19Å |
| 190 | A | 94.9 | Very high | 96.6 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 65% | 0.653 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -116.5 | -2.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G186 | G186-A190 PolarHBondContact O-N 2.7Å |
| 191 | G | 93.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 87.1 | -176 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113 | S187 R193 G194 | S187-G191 VanDerWaalsContact CA-O 3.28Å; S187-G191 WeakPolarHBondContact CA-O 2.99Å; S187-G191 CarbonylContact O-C 3.47Å; S187-G191 VanDerWaalsContact O-CA 3.22Å; S187-G191 WeakPolarHBondContact O-CA 3.21Å; S187-G191 PolarHBondContact O-N 3.21Å; G191-R193 PolarHBondContact O-N 3.31Å; G191-G194 WeakPolarHBondContact O-CA 3.27Å; G191-G194 PolarHBondContact O-N 3.09Å |
| 192 | G | 91.1 | Very high | 96.7 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 56% | 0.557 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | 136.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G194 H328 | G192-G194 PolarHBondContact O-N 2.89Å; G192-H328 PolarHBondContact O-CD2 3.45Å; G192-H328 PolarHBondContact O-NE2 3.1Å |
| 193 | R | 93.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 61.3 Ų | 61.3 | 21% | 0.211 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 8.1 | -174.6 | -46.6 | -178.3 | -169 | 177.8 | 8.9 | 115.5 | G191 E313 S316 T321 | G191-R193 PolarHBondContact O-N 3.31Å; R193-E313 IonicContact NH1-OE2 3.81Å; R193-S316 PolarHBondContact NH1-OG 3.23Å; R193-S316 PolarHBondContact NH2-O 3.44Å; R193-S316 PolarHBondContact NH2-OG 2.91Å; R193-T321 VanDerWaalsContact NH2-CG2 3.3Å |
| 194 | G | 95.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | trans | -61.5 | 138.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110 | G186 S187 G191 G192 | G186-G194 CarbonylContact C-O 3.59Å; G186-G194 VanDerWaalsContact CA-C 3.49Å; G186-G194 WeakPolarHBondContact CA-O 3.48Å; S187-G194 PolarHBondContact N-O 3.14Å; S187-G194 VanDerWaalsContact N-O 3.16Å; G191-G194 WeakPolarHBondContact O-CA 3.27Å; G191-G194 PolarHBondContact O-N 3.09Å; G192-G194 PolarHBondContact O-N 2.89Å | ||
| 195 | Y | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 54 Ų | 54 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | trans | -146.9 | 154.1 | -179 | 70.5 | -73.6 | 0 | 0 | 0 | 111.5 | F181 L197 I324 V327 Q329 | F181-Y195 HydrophobicContact CD2-CD2 4.06Å; F181-Y195 HydrophobicContact CD2-CG 4.36Å; F181-Y195 HydrophobicContact CE2-CD2 4.19Å; F181-Y195 HydrophobicContact CE2-CG 4.04Å; Y195-L197 HydrophobicContact CD2-CB 4.33Å; Y195-L197 HydrophobicContact CE2-CB 3.97Å; Y195-L197 HydrophobicContact CE2-CD1 4.33Å; Y195-I324 HydrophobicContact CD2-CG2 3.71Å; Y195-I324 HydrophobicContact CE2-CG2 3.95Å; Y195-I324 HydrophobicContact CG-CG2 4.22Å; Y195-V327 HydrophobicContact CD1-CB 4.14Å; Y195-V327 HydrophobicContact CD1-CG1 3.84Å; Y195-V327 HydrophobicContact CE1-CB 3.81Å; Y195-V327 HydrophobicContact CE1-CG1 3.89Å; Y195-V327 HydrophobicContact CE1-CG2 3.76Å; Y195-Q329 WeakPolarHBondContact CE1-O 3.35Å; Y195-Q329 PolarHBondContact OH-O 2.85Å; Y195-Q329 VanDerWaalsContact OH-O 3.13Å | ||
| 196 | F | 98.4 | Very high | 97 | Very high | 98 Ų | 98 | 50.5 Ų | 50.5 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 118.9 | 159.4 | -69.6 | -86.6 | 0 | 0 | 0 | 109 | F181 D182 R185 V189 | F181-F196 CarbonylContact C-O 3.58Å; F181-F196 WeakPolarHBondContact CA-O 3.15Å; D182-F196 HydrophobicContact CB-CB 4.28Å; D182-F196 PolarHBondContact N-O 3.32Å; D182-F196 PolarHBondContact O-N 3.15Å; R185-F196 HydrophobicContact CB-CD2 3.94Å; R185-F196 HydrophobicContact CB-CE2 3.94Å; V189-F196 HydrophobicContact CB-CE2 4.4Å; V189-F196 HydrophobicContact CB-CZ 4.42Å; V189-F196 HydrophobicContact CG1-CZ 4.49Å; V189-F196 HydrophobicContact CG2-CE2 4.15Å; V189-F196 HydrophobicContact CG2-CZ 4.19Å |
| 197 | L | 98.4 | Very high | 97.1 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.5 | 159.2 | -157.7 | 68.1 | 0 | 0 | 0 | 108.1 | Y195 L201 V202 E205 I324 | Y195-L197 HydrophobicContact CD2-CB 4.33Å; Y195-L197 HydrophobicContact CE2-CB 3.97Å; Y195-L197 HydrophobicContact CE2-CD1 4.33Å; L197-L201 HydrophobicContact CD1-CB 3.63Å; L197-L201 HydrophobicContact CD1-CD1 4.22Å; L197-L201 HydrophobicContact CG-CB 3.99Å; L197-V202 HydrophobicContact CB-CG2 4.21Å; L197-V202 HydrophobicContact CD2-CG2 4.35Å; L197-V202 HydrophobicContact CG-CG2 4.11Å; L197-V202 WeakPolarHBondContact O-CG2 3.41Å; L197-E205 HydrophobicContact CD2-CB 3.95Å; L197-E205 HydrophobicContact CD2-CG 4.48Å; L197-E205 WeakPolarHBondContact CD2-OE2 3.43Å; L197-I324 HydrophobicContact CD1-CD1 4.23Å |
| 198 | K | 98.2 | Very high | 97.2 | Very high | 67 Ų | 67 | 47.9 Ų | 47.9 | 29% | 0.291 | 29% | 0.286 | S | S | . | . | trans | -144.3 | 165.7 | -174.9 | 57.1 | 169.9 | -70.8 | -160.7 | 0 | 112.6 | D179 G180 D182 L201 | D179-K198 WeakPolarHBondContact O-CE 3.42Å; D179-K198 WeakPolarHBondContact O-CG 3.16Å; D179-K198 IonicContact OD1-NZ 2.91Å; D179-K198 PolarHBondContact OD1-NZ 2.91Å; D179-K198 WeakPolarHBondContact OD2-CE 3.38Å; D179-K198 IonicContact OD2-NZ 2.83Å; D179-K198 PolarHBondContact OD2-NZ 2.73Å; G180-K198 CarbonylContact C-O 3.54Å; G180-K198 WeakPolarHBondContact CA-O 3.32Å; G180-K198 WeakPolarHBondContact O-CG 3.23Å; G180-K198 PolarHBondContact O-N 3.39Å; G180-K198 VanDerWaalsContact O-O 3.13Å; D182-K198 HydrophobicContact CB-CD 4.47Å; K198-L201 PolarHBondContact O-N 3.3Å | ||
| 199 | G | 97.3 | Very high | 97.3 | Very high | 34 Ų | 34 | 42.6 Ų | 42.6 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | -126.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L201 V202 F203 | G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 PolarHBondContact O-N 2.7Å; G199-V202 PolarHBondContact O-N 2.96Å; G199-F203 WeakPolarHBondContact O-CD2 3.17Å |
| 200 | P | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -29.1 | -174.2 | 26.4 | -34 | 0 | 0 | 0 | 113.9 | V178 F203 L204 Y473 I477 | V178-P200 HydrophobicContact CB-CG 4.34Å; V178-P200 HydrophobicContact CG2-CG 4.34Å; V178-P200 VanDerWaalsContact O-CG 3.27Å; V178-P200 WeakPolarHBondContact O-CG 3.37Å; P200-F203 PolarHBondContact O-N 3.29Å; P200-L204 PolarHBondContact O-N 3.18Å; P200-Y473 HydrophobicContact CB-CD1 4.26Å; P200-Y473 HydrophobicContact CB-CD2 3.8Å; P200-Y473 HydrophobicContact CB-CE1 4.28Å; P200-Y473 HydrophobicContact CB-CE2 3.81Å; P200-Y473 HydrophobicContact CB-CG 4.04Å; P200-I477 HydrophobicContact CB-CB 4.43Å; P200-I477 HydrophobicContact CB-CD1 4.19Å; P200-I477 HydrophobicContact CB-CG1 4.1Å; P200-I477 HydrophobicContact CB-CG2 3.48Å; P200-I477 VanDerWaalsContact CB-CG2 3.48Å; P200-I477 HydrophobicContact CG-CG2 3.58Å |
| 201 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.1 | -24 | -176.3 | -61.3 | -173.8 | 0 | 0 | 0 | 113.4 | V175 V178 L197 K198 G199 L204 E205 I446 L450 | V175-L201 HydrophobicContact CB-CD1 3.95Å; V175-L201 HydrophobicContact CG1-CD1 3.81Å; V178-L201 HydrophobicContact CG2-CD1 4.14Å; V178-L201 HydrophobicContact CG2-CD2 4.15Å; V178-L201 HydrophobicContact CG2-CG 4.06Å; L197-L201 HydrophobicContact CD1-CB 3.63Å; L197-L201 HydrophobicContact CD1-CD1 4.22Å; L197-L201 HydrophobicContact CG-CB 3.99Å; K198-L201 PolarHBondContact O-N 3.3Å; G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 PolarHBondContact O-N 2.7Å; L201-L204 HydrophobicContact CD2-CB 4.5Å; L201-L204 HydrophobicContact CD2-CD2 3.9Å; L201-L204 PolarHBondContact O-N 2.86Å; L201-E205 WeakPolarHBondContact O-CB 3.32Å; L201-E205 PolarHBondContact O-N 2.89Å; L201-I446 HydrophobicContact CD1-CG2 4.38Å; L201-I446 HydrophobicContact CD2-CG2 4.01Å; L201-L450 HydrophobicContact CD1-CD1 4.35Å; L201-L450 HydrophobicContact CD2-CD1 4.3Å; L201-L450 HydrophobicContact CD2-CD2 4.08Å |
| 202 | V | 98.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 34% | 0.339 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 169 | 175.1 | 0 | 0 | 0 | 0 | 110.1 | L197 G199 E205 Q206 | L197-V202 HydrophobicContact CB-CG2 4.21Å; L197-V202 HydrophobicContact CD2-CG2 4.35Å; L197-V202 HydrophobicContact CG-CG2 4.11Å; L197-V202 WeakPolarHBondContact O-CG2 3.41Å; G199-V202 PolarHBondContact O-N 2.96Å; V202-E205 PolarHBondContact O-N 2.92Å; V202-Q206 WeakPolarHBondContact O-CG 3.43Å; V202-Q206 PolarHBondContact O-N 3.29Å; V202-Q206 VanDerWaalsContact O-N 3.14Å |
| 203 | F | 98.7 | Very high | 98.1 | Very high | 94 Ų | 94 | 35 Ų | 35 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.6 | -38.8 | 175.9 | -67.6 | -70.8 | 0 | 0 | 0 | 112 | G199 P200 Q206 A207 M469 P470 Y473 | G199-F203 WeakPolarHBondContact O-CD2 3.17Å; P200-F203 PolarHBondContact O-N 3.29Å; F203-Q206 PolarHBondContact O-N 3.26Å; F203-A207 WeakPolarHBondContact O-CB 3.43Å; F203-A207 PolarHBondContact O-N 2.88Å; F203-M469 VanDerWaalsContact C-SD 3.57Å; F203-M469 HydrophobicContact CB-CE 4.14Å; F203-M469 HydrophobicContact CB-SD 3.89Å; F203-P470 HydrophobicContact CB-CG 4.22Å; F203-P470 HydrophobicContact CD1-CG 3.93Å; F203-P470 HydrophobicContact CD2-CG 3.73Å; F203-P470 HydrophobicContact CE1-CG 4.2Å; F203-P470 HydrophobicContact CE2-CG 4.01Å; F203-P470 HydrophobicContact CG-CG 3.69Å; F203-P470 HydrophobicContact CZ-CG 4.23Å; F203-Y473 HydrophobicContact CD2-CD2 4.25Å; F203-Y473 HydrophobicContact CD2-CE2 4.39Å |
| 204 | L | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.5 | -173.5 | 61.4 | 0 | 0 | 0 | 111.9 | P200 L201 A207 I208 I446 I449 L465 M469 I477 | P200-L204 PolarHBondContact O-N 3.18Å; L201-L204 HydrophobicContact CD2-CB 4.5Å; L201-L204 HydrophobicContact CD2-CD2 3.9Å; L201-L204 PolarHBondContact O-N 2.86Å; L204-A207 PolarHBondContact O-N 3.29Å; L204-I208 HydrophobicContact CD1-CD1 4.42Å; L204-I208 HydrophobicContact CG-CD1 4.02Å; L204-I208 WeakPolarHBondContact O-CB 3.37Å; L204-I208 WeakPolarHBondContact O-CD1 3.4Å; L204-I208 VanDerWaalsContact O-CG1 3.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.77Å; L204-I446 HydrophobicContact CD2-CG1 4.1Å; L204-I446 HydrophobicContact CD2-CG2 4.18Å; L204-I446 HydrophobicContact CG-CG1 4.2Å; L204-I449 HydrophobicContact CD2-CG2 4.48Å; L204-L465 HydrophobicContact CD1-CD1 3.65Å; L204-M469 HydrophobicContact CB-CE 4.25Å; L204-M469 HydrophobicContact CB-SD 4.36Å; L204-M469 HydrophobicContact CD1-SD 4.38Å; L204-I477 HydrophobicContact CD2-CD1 4.45Å |
| 205 | E | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 173.1 | 178 | 165 | -107.7 | 0 | 0 | 111.6 | L197 L201 V202 A207 I208 I209 T442 I446 | L197-E205 HydrophobicContact CD2-CB 3.95Å; L197-E205 HydrophobicContact CD2-CG 4.48Å; L197-E205 WeakPolarHBondContact CD2-OE2 3.43Å; L201-E205 WeakPolarHBondContact O-CB 3.32Å; L201-E205 PolarHBondContact O-N 2.89Å; V202-E205 PolarHBondContact O-N 2.92Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 2.84Å; E205-I208 PolarHBondContact O-N 2.88Å; E205-I209 HydrophobicContact CG-CD1 3.9Å; E205-I209 WeakPolarHBondContact O-CG1 3.32Å; E205-I209 PolarHBondContact O-N 2.73Å; E205-T442 HydrophobicContact CG-CG2 4.04Å; E205-T442 PolarHBondContact OE1-OG1 2.85Å; E205-I446 HydrophobicContact CB-CD1 3.95Å |
| 206 | Q | 98.7 | Very high | 98.6 | Very high | 93 Ų | 93 | 35 Ų | 35 | 44% | 0.435 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.3 | -36 | 178.4 | -64.7 | -60.1 | -57.4 | 0 | 0 | 112.2 | V202 F203 N210 | V202-Q206 WeakPolarHBondContact O-CG 3.43Å; V202-Q206 PolarHBondContact O-N 3.29Å; V202-Q206 VanDerWaalsContact O-N 3.14Å; F203-Q206 PolarHBondContact O-N 3.26Å; Q206-N210 WeakPolarHBondContact O-CB 3.31Å; Q206-N210 VanDerWaalsContact O-CG 3.29Å; Q206-N210 PolarHBondContact O-N 2.79Å; Q206-N210 PolarHBondContact O-ND2 3.35Å |
| 207 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F203 L204 E205 N210 L211 L465 F468 M469 | F203-A207 WeakPolarHBondContact O-CB 3.43Å; F203-A207 PolarHBondContact O-N 2.88Å; L204-A207 PolarHBondContact O-N 3.29Å; E205-A207 VanDerWaalsContact C-N 3.3Å; E205-A207 PolarHBondContact O-N 2.84Å; A207-N210 PolarHBondContact O-N 3.28Å; A207-L211 WeakPolarHBondContact O-CB 3.34Å; A207-L211 PolarHBondContact O-N 3.49Å; A207-L465 HydrophobicContact CB-CB 4.32Å; A207-L465 HydrophobicContact CB-CD2 4.1Å; A207-F468 HydrophobicContact CB-CB 3.53Å; A207-F468 HydrophobicContact CB-CD2 4.49Å; A207-F468 HydrophobicContact CB-CG 4.32Å; A207-M469 HydrophobicContact CB-CG 4.37Å; A207-M469 HydrophobicContact CB-SD 3.96Å |
| 208 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 177.3 | -74.1 | 164.2 | 0 | 0 | 0 | 110.9 | L204 E205 L211 A212 F360 C440 T442 V445 I446 I449 L465 | L204-I208 HydrophobicContact CD1-CD1 4.42Å; L204-I208 HydrophobicContact CG-CD1 4.02Å; L204-I208 WeakPolarHBondContact O-CB 3.37Å; L204-I208 WeakPolarHBondContact O-CD1 3.4Å; L204-I208 VanDerWaalsContact O-CG1 3.26Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.77Å; E205-I208 PolarHBondContact O-N 2.88Å; I208-L211 PolarHBondContact O-N 2.88Å; I208-A212 WeakPolarHBondContact O-CB 3.48Å; I208-A212 PolarHBondContact O-N 3.14Å; I208-F360 HydrophobicContact CG2-CZ 4.07Å; I208-C440 HydrophobicContact CG2-CB 4.32Å; I208-T442 HydrophobicContact CG2-CG2 4.12Å; I208-V445 HydrophobicContact CD1-CB 4.33Å; I208-V445 HydrophobicContact CD1-CG1 3.92Å; I208-V445 HydrophobicContact CG1-CG1 4.25Å; I208-V445 HydrophobicContact CG2-CB 4.36Å; I208-V445 HydrophobicContact CG2-CG1 4.17Å; I208-I446 HydrophobicContact CD1-CD1 4.47Å; I208-I446 HydrophobicContact CD1-CG1 3.52Å; I208-I449 HydrophobicContact CD1-CD1 3.89Å; I208-I449 HydrophobicContact CG1-CD1 4.21Å; I208-L465 HydrophobicContact CG1-CD1 4.02Å; I208-L465 HydrophobicContact CG1-CD2 4.43Å |
| 209 | I | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 177.9 | -68.7 | 164.9 | 0 | 0 | 0 | 110.3 | E205 L211 A212 L213 I306 E331 V333 T442 | E205-I209 HydrophobicContact CG-CD1 3.9Å; E205-I209 WeakPolarHBondContact O-CG1 3.32Å; E205-I209 PolarHBondContact O-N 2.73Å; I209-L211 PolarHBondContact O-N 3.29Å; I209-A212 PolarHBondContact O-N 3.49Å; I209-L213 HydrophobicContact CG2-CD1 3.93Å; I209-L213 HydrophobicContact CG2-CG 4.35Å; I209-L213 WeakPolarHBondContact O-CG 3.21Å; I209-L213 PolarHBondContact O-N 3.02Å; I209-I306 HydrophobicContact CG2-CD1 3.5Å; I209-I306 VanDerWaalsContact CG2-CD1 3.5Å; I209-I306 HydrophobicContact CG2-CG1 4.47Å; I209-E331 HydrophobicContact CD1-CB 4.11Å; I209-E331 HydrophobicContact CD1-CG 4.41Å; I209-V333 HydrophobicContact CG2-CG2 4.25Å; I209-T442 HydrophobicContact CD1-CG2 3.95Å; I209-T442 HydrophobicContact CG1-CG2 3.5Å; I209-T442 VanDerWaalsContact CG1-CG2 3.5Å |
| 210 | N | 98.7 | Very high | 98.7 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.3 | -41.2 | -178.8 | -75.1 | -39 | 0 | 0 | 0 | 112.1 | Q206 A207 L213 Q214 F468 | Q206-N210 WeakPolarHBondContact O-CB 3.31Å; Q206-N210 VanDerWaalsContact O-CG 3.29Å; Q206-N210 PolarHBondContact O-N 2.79Å; Q206-N210 PolarHBondContact O-ND2 3.35Å; A207-N210 PolarHBondContact O-N 3.28Å; N210-L213 PolarHBondContact O-N 3.24Å; N210-Q214 WeakPolarHBondContact O-CB 3.36Å; N210-Q214 VanDerWaalsContact O-CG 3.31Å; N210-Q214 WeakPolarHBondContact O-CG 3.17Å; N210-Q214 PolarHBondContact O-N 3.1Å; N210-F468 HydrophobicContact CB-CD1 3.74Å; N210-F468 HydrophobicContact CB-CE1 3.65Å; N210-F468 HydrophobicContact CB-CG 4.37Å; N210-F468 HydrophobicContact CB-CZ 4.22Å |
| 211 | L | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.073 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 174.4 | 177.6 | 65.1 | 0 | 0 | 0 | 111.2 | A207 I208 I209 L213 Q214 M215 F360 L364 V464 L465 F468 | A207-L211 WeakPolarHBondContact O-CB 3.34Å; A207-L211 PolarHBondContact O-N 3.49Å; I208-L211 PolarHBondContact O-N 2.88Å; I209-L211 PolarHBondContact O-N 3.29Å; L211-L213 PolarHBondContact O-N 3.02Å; L211-Q214 PolarHBondContact O-N 3.07Å; L211-M215 HydrophobicContact CD1-CG 4.22Å; L211-M215 HydrophobicContact CD1-SD 4.07Å; L211-M215 HydrophobicContact CG-SD 4.12Å; L211-M215 VanDerWaalsContact O-CG 3.32Å; L211-M215 WeakPolarHBondContact O-CG 3.19Å; L211-M215 PolarHBondContact O-N 3.21Å; L211-F360 HydrophobicContact CB-CE2 4.22Å; L211-F360 HydrophobicContact CD2-CD2 4.18Å; L211-F360 HydrophobicContact CD2-CE2 3.75Å; L211-F360 HydrophobicContact CG-CD2 4.19Å; L211-F360 HydrophobicContact CG-CE2 3.85Å; L211-L364 HydrophobicContact CD2-CD2 3.97Å; L211-L364 HydrophobicContact CD2-CG 4.31Å; L211-V464 HydrophobicContact CD1-CB 4.31Å; L211-V464 HydrophobicContact CD2-CB 4.23Å; L211-V464 HydrophobicContact CD2-CG2 3.64Å; L211-L465 HydrophobicContact CB-CD2 3.99Å; L211-L465 HydrophobicContact CD2-CD2 3.67Å; L211-L465 HydrophobicContact CG-CD2 4.45Å; L211-F468 HydrophobicContact CB-CE2 4.42Å |
| 212 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -45.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | I208 I209 L216 V333 F360 M439 | I208-A212 WeakPolarHBondContact O-CB 3.48Å; I208-A212 PolarHBondContact O-N 3.14Å; I209-A212 PolarHBondContact O-N 3.49Å; A212-L216 WeakPolarHBondContact O-CG 3.49Å; A212-L216 PolarHBondContact O-N 3.36Å; A212-V333 HydrophobicContact CB-CB 4.22Å; A212-V333 HydrophobicContact CB-CG1 4.25Å; A212-V333 HydrophobicContact CB-CG2 4.14Å; A212-F360 HydrophobicContact CB-CD2 4.25Å; A212-F360 HydrophobicContact CB-CE2 3.81Å; A212-F360 HydrophobicContact CB-CZ 4.45Å; A212-M439 HydrophobicContact CB-CG 3.79Å |
| 213 | L | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.199 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 178.5 | -70.8 | 177.6 | 0 | 0 | 0 | 112.5 | I209 N210 L211 L216 D217 A304 I306 V333 | I209-L213 HydrophobicContact CG2-CD1 3.93Å; I209-L213 HydrophobicContact CG2-CG 4.35Å; I209-L213 WeakPolarHBondContact O-CG 3.21Å; I209-L213 PolarHBondContact O-N 3.02Å; N210-L213 PolarHBondContact O-N 3.24Å; L211-L213 PolarHBondContact O-N 3.02Å; L213-L216 PolarHBondContact O-N 3.43Å; L213-D217 WeakPolarHBondContact O-CB 3.43Å; L213-D217 PolarHBondContact O-N 3.38Å; L213-A304 HydrophobicContact CD2-CB 4.21Å; L213-I306 HydrophobicContact CD1-CD1 4.17Å; L213-V333 HydrophobicContact CD2-CG1 3.99Å |
| 214 | Q | 98.5 | Very high | 98.7 | Very high | 95 Ų | 95 | 43.2 Ų | 43.2 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 177.5 | -75.7 | -178.3 | 3.1 | 0 | 0 | 111.9 | N210 L211 L216 D217 E218 | N210-Q214 WeakPolarHBondContact O-CB 3.36Å; N210-Q214 VanDerWaalsContact O-CG 3.31Å; N210-Q214 WeakPolarHBondContact O-CG 3.17Å; N210-Q214 PolarHBondContact O-N 3.1Å; L211-Q214 PolarHBondContact O-N 3.07Å; Q214-L216 PolarHBondContact O-N 3.42Å; Q214-D217 PolarHBondContact O-N 3.36Å; Q214-E218 WeakPolarHBondContact O-CG 3.37Å; Q214-E218 PolarHBondContact O-N 2.84Å |
| 215 | M | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 51.3 Ų | 51.3 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -32.4 | 178.6 | -71.4 | -176.7 | 67.8 | 0 | 0 | 113 | L211 R219 A359 F360 M439 | L211-M215 HydrophobicContact CD1-CG 4.22Å; L211-M215 HydrophobicContact CD1-SD 4.07Å; L211-M215 HydrophobicContact CG-SD 4.12Å; L211-M215 VanDerWaalsContact O-CG 3.32Å; L211-M215 WeakPolarHBondContact O-CG 3.19Å; L211-M215 PolarHBondContact O-N 3.21Å; M215-R219 WeakPolarHBondContact O-CD 3.46Å; M215-R219 WeakPolarHBondContact O-CG 3.02Å; M215-R219 PolarHBondContact O-NH1 3Å; M215-A359 HydrophobicContact CE-CB 3.92Å; M215-F360 HydrophobicContact CE-CB 4.24Å; M215-F360 HydrophobicContact SD-CB 4.19Å; M215-F360 HydrophobicContact SD-CD2 3.84Å; M215-M439 HydrophobicContact CB-CE 3.94Å; M215-M439 HydrophobicContact SD-CE 4.44Å |
| 216 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -79.1 | -39.6 | 177 | -71.2 | 178.9 | 0 | 0 | 0 | 112.3 | A212 L213 Q214 E218 R219 G220 F221 A304 V333 Q335 N356 M439 | A212-L216 WeakPolarHBondContact O-CG 3.49Å; A212-L216 PolarHBondContact O-N 3.36Å; L213-L216 PolarHBondContact O-N 3.43Å; Q214-L216 PolarHBondContact O-N 3.42Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-E218 PolarHBondContact O-N 2.86Å; L216-R219 CarbonylContact O-C 3.51Å; L216-R219 WeakPolarHBondContact O-CA 3.2Å; L216-R219 PolarHBondContact O-N 3.5Å; L216-G220 PolarHBondContact O-N 3.08Å; L216-F221 HydrophobicContact CB-CB 3.92Å; L216-F221 HydrophobicContact CB-CD2 4.34Å; L216-F221 HydrophobicContact CB-CG 4.16Å; L216-F221 HydrophobicContact CD2-CD1 4.36Å; L216-F221 HydrophobicContact CD2-CD2 3.96Å; L216-F221 HydrophobicContact CD2-CE1 4.49Å; L216-F221 HydrophobicContact CD2-CE2 4.07Å; L216-F221 HydrophobicContact CD2-CG 4.12Å; L216-F221 HydrophobicContact CD2-CZ 4.34Å; L216-F221 WeakPolarHBondContact O-CB 3.43Å; L216-F221 WeakPolarHBondContact O-CD2 3.48Å; L216-F221 PolarHBondContact O-N 3.03Å; L216-A304 HydrophobicContact CB-CB 4.05Å; L216-A304 HydrophobicContact CD1-CB 3.57Å; L216-A304 HydrophobicContact CG-CB 4.47Å; L216-V333 HydrophobicContact CD1-CG1 3.89Å; L216-Q335 HydrophobicContact CD1-CG 4Å; L216-Q335 HydrophobicContact CD2-CG 3.73Å; L216-N356 HydrophobicContact CD2-CB 4.36Å; L216-M439 HydrophobicContact CD1-CB 4.01Å; L216-M439 HydrophobicContact CD1-CG 3.84Å; L216-M439 HydrophobicContact CD1-SD 4.38Å; L216-M439 HydrophobicContact CD2-CE 4.13Å; L216-M439 HydrophobicContact CD2-CG 4.49Å; L216-M439 HydrophobicContact CD2-SD 3.95Å; L216-M439 HydrophobicContact CG-CE 4.07Å; L216-M439 HydrophobicContact CG-CG 4.16Å; L216-M439 HydrophobicContact CG-SD 4.17Å |
| 217 | D | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 50 Ų | 50 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59 | -45.3 | 174.9 | -174.4 | 73 | 0 | 0 | 0 | 111.2 | L213 Q214 R219 G220 | L213-D217 WeakPolarHBondContact O-CB 3.43Å; L213-D217 PolarHBondContact O-N 3.38Å; Q214-D217 PolarHBondContact O-N 3.36Å; D217-R219 PolarHBondContact O-N 3.36Å; D217-G220 PolarHBondContact O-N 3.24Å |
| 218 | E | 98.4 | Very high | 98.4 | Very high | 146 Ų | 146 | 51.8 Ų | 51.8 | 68% | 0.682 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -20.8 | 173.4 | -72.8 | 173.3 | 177.3 | 0 | 0 | 113.5 | Q214 L216 | Q214-E218 WeakPolarHBondContact O-CG 3.37Å; Q214-E218 PolarHBondContact O-N 2.84Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-E218 PolarHBondContact O-N 2.86Å |
| 219 | R | 98.3 | Very high | 98.1 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 13.6 | 179.8 | -67.9 | 172.7 | 171.3 | 65.6 | 8.8 | 113.3 | M215 L216 D217 F221 N356 | M215-R219 WeakPolarHBondContact O-CD 3.46Å; M215-R219 WeakPolarHBondContact O-CG 3.02Å; M215-R219 PolarHBondContact O-NH1 3Å; L216-R219 CarbonylContact O-C 3.51Å; L216-R219 WeakPolarHBondContact O-CA 3.2Å; L216-R219 PolarHBondContact O-N 3.5Å; D217-R219 PolarHBondContact O-N 3.36Å; R219-F221 HydrophobicContact CB-CD2 4.03Å; R219-F221 HydrophobicContact CB-CE2 4.21Å; R219-N356 WeakPolarHBondContact CD-OD1 3.46Å; R219-N356 PolarHBondContact NE-OD1 2.89Å; R219-N356 VanDerWaalsContact NE-OD1 3.1Å |
| 220 | G | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 55% | 0.546 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 21.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L216 D217 | L216-G220 PolarHBondContact O-N 3.08Å; D217-G220 PolarHBondContact O-N 3.24Å |
| 221 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 133.3 | 169.6 | -72.5 | -109 | 0 | 0 | 0 | 110.1 | L216 R219 P223 K302 Y303 A304 Q335 H352 N356 | L216-F221 HydrophobicContact CB-CB 3.92Å; L216-F221 HydrophobicContact CB-CD2 4.34Å; L216-F221 HydrophobicContact CB-CG 4.16Å; L216-F221 HydrophobicContact CD2-CD1 4.36Å; L216-F221 HydrophobicContact CD2-CD2 3.96Å; L216-F221 HydrophobicContact CD2-CE1 4.49Å; L216-F221 HydrophobicContact CD2-CE2 4.07Å; L216-F221 HydrophobicContact CD2-CG 4.12Å; L216-F221 HydrophobicContact CD2-CZ 4.34Å; L216-F221 WeakPolarHBondContact O-CB 3.43Å; L216-F221 WeakPolarHBondContact O-CD2 3.48Å; L216-F221 PolarHBondContact O-N 3.03Å; R219-F221 HydrophobicContact CB-CD2 4.03Å; R219-F221 HydrophobicContact CB-CE2 4.21Å; F221-P223 WeakPolarHBondContact O-CD 3.29Å; F221-K302 HydrophobicContact CB-CB 4.39Å; F221-K302 HydrophobicContact CD1-CB 3.65Å; F221-K302 HydrophobicContact CD2-CB 4.26Å; F221-K302 HydrophobicContact CD2-CD 4.18Å; F221-K302 HydrophobicContact CE1-CB 3.88Å; F221-K302 HydrophobicContact CE2-CB 4.47Å; F221-K302 HydrophobicContact CE2-CD 3.96Å; F221-K302 HydrophobicContact CG-CB 3.84Å; F221-K302 HydrophobicContact CZ-CB 4.29Å; F221-K302 HydrophobicContact CZ-CD 4.17Å; F221-Y303 WeakPolarHBondContact CD1-O 3.28Å; F221-A304 HydrophobicContact CB-CB 4.07Å; F221-Q335 HydrophobicContact CE1-CB 3.86Å; F221-Q335 HydrophobicContact CE1-CG 4.12Å; F221-Q335 HydrophobicContact CZ-CG 4.5Å; F221-H352 AromaticContact CE2-CE1 3.89Å; F221-N356 WeakPolarHBondContact CE2-ND2 3.31Å |
| 222 | T | 98.7 | Very high | 97 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 109.9 | K302 Y303 A304 | T222-K302 PolarHBondContact N-O 3.36Å; T222-Y303 HydrophobicContact CG2-CD1 4.36Å; T222-Y303 HydrophobicContact CG2-CE1 4.35Å; T222-Y303 CarbonylContact O-C 3.58Å; T222-Y303 VanDerWaalsContact O-CA 3.32Å; T222-Y303 WeakPolarHBondContact O-CA 3.32Å; T222-A304 PolarHBondContact O-N 3.39Å |
| 223 | P | 98.4 | Very high | 96.4 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135.2 | 177.6 | 27.1 | -33.5 | 0 | 0 | 0 | 111.7 | F221 A304 | F221-P223 WeakPolarHBondContact O-CD 3.29Å; P223-A304 CarbonylContact C-O 3.5Å; P223-A304 WeakPolarHBondContact CA-O 3.43Å |
| 224 | L | 98.2 | Very high | 96 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120.9 | 176.7 | -71.3 | -176.5 | 0 | 0 | 0 | 111.2 | I285 Y303 A304 G305 I306 | L224-I285 HydrophobicContact CD1-CD1 4.32Å; L224-I285 HydrophobicContact CD1-CG1 4.04Å; L224-I285 HydrophobicContact CD1-CG2 4.49Å; L224-Y303 HydrophobicContact CD1-CD1 3.34Å; L224-Y303 HydrophobicContact CD1-CD2 4.11Å; L224-Y303 HydrophobicContact CD1-CE1 3.72Å; L224-Y303 HydrophobicContact CD1-CE2 4.41Å; L224-Y303 HydrophobicContact CD1-CG 3.56Å; L224-Y303 HydrophobicContact CD2-CD1 4.43Å; L224-Y303 HydrophobicContact CG-CD1 3.68Å; L224-Y303 HydrophobicContact CG-CE1 4.19Å; L224-Y303 HydrophobicContact CG-CG 4.24Å; L224-A304 PolarHBondContact N-O 2.93Å; L224-G305 WeakPolarHBondContact O-CA 3.46Å; L224-I306 WeakPolarHBondContact O-CG2 3.42Å; L224-I306 PolarHBondContact O-N 3.27Å |
| 225 | Y | 97.9 | Very high | 95.7 | Very high | 172 Ų | 172 | 59.3 Ų | 59.3 | 68% | 0.675 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 107.6 | 163.9 | -176.3 | -82.7 | 0 | 0 | 0 | 108.8 | F228 I306 | Y225-F228 HydrophobicContact CE1-CE1 4.27Å; Y225-F228 HydrophobicContact CE1-CZ 4.06Å; Y225-F228 HydrophobicContact CE2-CE1 4.4Å; Y225-F228 AromaticContact CE2-CZ 3.8Å; Y225-F228 HydrophobicContact CE2-CZ 3.8Å; Y225-F228 AromaticContact CZ-CZ 3.4Å; Y225-F228 VanDerWaalsContact OH-CE2 3.29Å; Y225-F228 WeakPolarHBondContact OH-CE2 3.17Å; Y225-F228 WeakPolarHBondContact OH-CZ 3.48Å; Y225-I306 HydrophobicContact CD2-CG2 4.34Å |
| 226 | T | 97.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | trans | -86.7 | 151.3 | -172.9 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | F228 S281 P284 I285 | T226-F228 WeakPolarHBondContact O-CD1 3.37Å; T226-F228 WeakPolarHBondContact O-CE1 3.44Å; T226-S281 PolarHBondContact OG1-OG 3.29Å; T226-P284 HydrophobicContact CG2-CB 4.43Å; T226-P284 HydrophobicContact CG2-CG 3.8Å; T226-I285 HydrophobicContact CG2-CD1 3.99Å; T226-I285 HydrophobicContact CG2-CG1 3.68Å | ||
| 227 | P | 97.2 | Very high | 94.6 | Very high | 78 Ų | 78 | 63.6 Ų | 63.6 | 51% | 0.506 | 32% | 0.321 | S | S | . | . | trans | -58.8 | 138.3 | 163.7 | -20.7 | 32.7 | 0 | 0 | 0 | 110.9 | F229 | P227-F229 VanDerWaalsContact C-N 3.29Å; P227-F229 PolarHBondContact O-N 2.66Å | ||
| 228 | F | 97 | Very high | 94.1 | Very high | 39 Ų | 39 | 59.1 Ų | 59.1 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -87.4 | 0.8 | -178.8 | -54.7 | -23.8 | 0 | 0 | 0 | 113.9 | Y225 T226 L277 I278 F310 | Y225-F228 HydrophobicContact CE1-CE1 4.27Å; Y225-F228 HydrophobicContact CE1-CZ 4.06Å; Y225-F228 HydrophobicContact CE2-CE1 4.4Å; Y225-F228 AromaticContact CE2-CZ 3.8Å; Y225-F228 HydrophobicContact CE2-CZ 3.8Å; Y225-F228 AromaticContact CZ-CZ 3.4Å; Y225-F228 VanDerWaalsContact OH-CE2 3.29Å; Y225-F228 WeakPolarHBondContact OH-CE2 3.17Å; Y225-F228 WeakPolarHBondContact OH-CZ 3.48Å; T226-F228 WeakPolarHBondContact O-CD1 3.37Å; T226-F228 WeakPolarHBondContact O-CE1 3.44Å; F228-L277 VanDerWaalsContact O-CA 3.26Å; F228-L277 WeakPolarHBondContact O-CA 3.35Å; F228-L277 WeakPolarHBondContact O-CD2 3.3Å; F228-I278 HydrophobicContact CD1-CD1 4.14Å; F228-I278 PolarHBondContact O-N 2.99Å; F228-F310 HydrophobicContact CB-CE2 4.21Å |
| 229 | F | 93.4 | Very high | 93.2 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 50% | 0.5 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.8 | 176.5 | 48 | -96.5 | 0 | 0 | 0 | 110.4 | P227 K275 Y276 L277 | P227-F229 VanDerWaalsContact C-N 3.29Å; P227-F229 PolarHBondContact O-N 2.66Å; F229-K275 HydrophobicContact CB-CB 4.37Å; F229-K275 HydrophobicContact CD2-CD 3.83Å; F229-K275 HydrophobicContact CG-CD 4.47Å; F229-Y276 CarbonylContact C-O 3.46Å; F229-Y276 WeakPolarHBondContact CA-O 3.35Å; F229-L277 HydrophobicContact CB-CD2 4.46Å |
| 230 | M | 93.4 | Very high | 91.9 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149.2 | 175.5 | -62.1 | 177.6 | 70.8 | 0 | 0 | 110.4 | A234 M235 V238 K275 Y276 I278 Q283 P284 A287 | M230-A234 HydrophobicContact CE-CB 3.98Å; M230-M235 HydrophobicContact CB-CB 4.19Å; M230-M235 HydrophobicContact CB-CE 4.08Å; M230-M235 HydrophobicContact CG-CE 4.17Å; M230-M235 HydrophobicContact SD-CE 3.72Å; M230-M235 HydrophobicContact SD-SD 4.04Å; M230-V238 HydrophobicContact CE-CG2 3.99Å; M230-V238 HydrophobicContact SD-CG2 4.46Å; M230-K275 CarbonylContact O-C 3.54Å; M230-K275 WeakPolarHBondContact O-CA 3.47Å; M230-K275 WeakPolarHBondContact O-CB 3.4Å; M230-Y276 PolarHBondContact N-O 2.86Å; M230-Y276 PolarHBondContact O-N 2.85Å; M230-I278 HydrophobicContact CG-CG2 3.81Å; M230-I278 HydrophobicContact SD-CG2 3.94Å; M230-Q283 WeakPolarHBondContact CE-O 3.39Å; M230-Q283 VanDerWaalsContact SD-C 3.6Å; M230-Q283 HydrophobicContact SD-CB 3.66Å; M230-P284 HydrophobicContact CG-CB 4.44Å; M230-P284 HydrophobicContact SD-CB 4.14Å; M230-A287 HydrophobicContact CE-CB 3.8Å |
| 231 | R | 90.7 | Very high | 90.2 | Very high | 88 Ų | 88 | 51 Ų | 51 | 33% | 0.332 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 150.7 | 168.2 | -69.1 | -177.8 | 175.5 | 149.4 | 5.2 | 110 | E233 A234 M235 E273 | R231-E233 PolarHBondContact O-N 2.87Å; R231-A234 PolarHBondContact O-N 2.93Å; R231-M235 WeakPolarHBondContact O-CB 3.45Å; R231-M235 PolarHBondContact O-N 3.14Å; R231-E273 IonicContact NE-OE1 2.79Å; R231-E273 PolarHBondContact NE-OE1 2.99Å |
| 232 | K | 89.3 | Confident | 88.3 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -50.7 | -44.3 | 178.2 | -172.1 | 175 | -165.7 | 170.8 | 0 | 112.8 | M235 R236 F244 E274 Y276 | K232-M235 PolarHBondContact O-N 3.44Å; K232-R236 VanDerWaalsContact CE-CZ 3.47Å; K232-R236 VanDerWaalsContact CE-NH2 3.27Å; K232-R236 VanDerWaalsContact O-CB 3.31Å; K232-R236 WeakPolarHBondContact O-CB 3.28Å; K232-R236 VanDerWaalsContact O-CG 3.24Å; K232-R236 WeakPolarHBondContact O-CG 3.47Å; K232-R236 PolarHBondContact O-N 3.25Å; K232-F244 HydrophobicContact CG-CE1 4.32Å; K232-F244 HydrophobicContact CG-CZ 3.99Å; K232-E274 HydrophobicContact CD-CB 4.49Å; K232-E274 WeakPolarHBondContact CD-OE2 3.35Å; K232-E274 WeakPolarHBondContact CE-OE2 3.45Å; K232-E274 PolarHBondContact N-O 3.28Å; K232-E274 IonicContact NZ-OE2 3.53Å; K232-E274 PolarHBondContact NZ-OE2 2.83Å; K232-Y276 HydrophobicContact CB-CD2 4.37Å; K232-Y276 HydrophobicContact CB-CE2 3.82Å; K232-Y276 HydrophobicContact CD-CE2 4.4Å; K232-Y276 HydrophobicContact CG-CE2 3.78Å |
| 233 | E | 86.6 | Confident | 86.6 | Confident | 90 Ų | 90 | 52.4 Ų | 52.4 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | -176.8 | -66.7 | 66.2 | -149.3 | 0 | 0 | 111.4 | R231 R236 A237 | R231-E233 PolarHBondContact O-N 2.87Å; E233-R236 PolarHBondContact O-N 2.93Å; E233-A237 PolarHBondContact O-N 3.5Å |
| 234 | A | 90.2 | Very high | 85.1 | Confident | 24 Ų | 24 | 49.5 Ų | 49.5 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M230 R231 R236 A237 V238 | M230-A234 HydrophobicContact CE-CB 3.98Å; R231-A234 PolarHBondContact O-N 2.93Å; A234-R236 VanDerWaalsContact C-N 3.33Å; A234-R236 PolarHBondContact O-N 3.37Å; A234-A237 WeakPolarHBondContact O-CB 3.21Å; A234-A237 PolarHBondContact O-N 2.88Å; A234-A237 VanDerWaalsContact O-N 3.1Å; A234-V238 PolarHBondContact O-N 3.1Å |
| 235 | M | 90.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.1 | -173.1 | 60.9 | 86.8 | 0 | 0 | 111.3 | M230 R231 K232 A237 V238 A239 F244 L248 Y276 I278 Q283 | M230-M235 HydrophobicContact CB-CB 4.19Å; M230-M235 HydrophobicContact CB-CE 4.08Å; M230-M235 HydrophobicContact CG-CE 4.17Å; M230-M235 HydrophobicContact SD-CE 3.72Å; M230-M235 HydrophobicContact SD-SD 4.04Å; R231-M235 WeakPolarHBondContact O-CB 3.45Å; R231-M235 PolarHBondContact O-N 3.14Å; K232-M235 PolarHBondContact O-N 3.44Å; M235-A237 PolarHBondContact O-N 3.25Å; M235-V238 WeakPolarHBondContact O-CG2 3.44Å; M235-V238 PolarHBondContact O-N 3.11Å; M235-V238 VanDerWaalsContact O-N 3.14Å; M235-V238 HydrophobicContact SD-CG2 3.96Å; M235-A239 HydrophobicContact CG-CB 4.24Å; M235-A239 WeakPolarHBondContact O-CB 3.35Å; M235-A239 PolarHBondContact O-N 3.27Å; M235-A239 HydrophobicContact SD-CB 4.08Å; M235-F244 HydrophobicContact CB-CE2 3.7Å; M235-F244 HydrophobicContact CB-CZ 4.22Å; M235-F244 HydrophobicContact CG-CD2 4.01Å; M235-F244 HydrophobicContact CG-CE2 3.36Å; M235-F244 HydrophobicContact CG-CZ 4.16Å; M235-L248 HydrophobicContact CE-CD1 4.14Å; M235-L248 HydrophobicContact CG-CD1 3.66Å; M235-L248 HydrophobicContact SD-CD1 3.84Å; M235-Y276 HydrophobicContact CG-CG 4.43Å; M235-I278 HydrophobicContact CE-CG2 4.16Å; M235-Q283 HydrophobicContact CE-CB 4.48Å; M235-Q283 HydrophobicContact SD-CB 4.25Å; M235-Q283 HydrophobicContact SD-CG 4.14Å |
| 236 | R | 87.4 | Confident | 82.5 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.2 | -30 | 175.3 | -82.8 | 172.8 | 170.6 | 178.1 | -10.3 | 112.6 | K232 E233 A234 V238 F244 R414 | K232-R236 VanDerWaalsContact CE-CZ 3.47Å; K232-R236 VanDerWaalsContact CE-NH2 3.27Å; K232-R236 VanDerWaalsContact O-CB 3.31Å; K232-R236 WeakPolarHBondContact O-CB 3.28Å; K232-R236 VanDerWaalsContact O-CG 3.24Å; K232-R236 WeakPolarHBondContact O-CG 3.47Å; K232-R236 PolarHBondContact O-N 3.25Å; E233-R236 PolarHBondContact O-N 2.93Å; A234-R236 VanDerWaalsContact C-N 3.33Å; A234-R236 PolarHBondContact O-N 3.37Å; R236-V238 VanDerWaalsContact C-N 3.33Å; R236-F244 HydrophobicContact CG-CD2 4.43Å; R236-F244 HydrophobicContact CG-CE2 3.78Å; R236-F244 HydrophobicContact CG-CZ 3.93Å; R236-R414 PolarHBondContact O-NE 3.44Å; R236-R414 PolarHBondContact O-NH1 3.45Å; R236-R414 PolarHBondContact O-NH2 2.87Å |
| 237 | A | 87.8 | Confident | 81.8 | Confident | 11 Ų | 11 | 55 Ų | 55 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73 | -26.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | E233 A234 M235 R414 L415 | E233-A237 PolarHBondContact O-N 3.5Å; A234-A237 WeakPolarHBondContact O-CB 3.21Å; A234-A237 PolarHBondContact O-N 2.88Å; A234-A237 VanDerWaalsContact O-N 3.1Å; M235-A237 PolarHBondContact O-N 3.25Å; A237-R414 HydrophobicContact CB-CG 4.41Å; A237-R414 WeakPolarHBondContact O-CD 3.33Å; A237-L415 HydrophobicContact CB-CD2 3.58Å; A237-L415 HydrophobicContact CB-CG 4.46Å |
| 238 | V | 88.3 | Confident | 81.5 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -108.3 | -23 | -175.3 | -58.3 | 0 | 0 | 0 | 0 | 114.7 | M1 M230 A234 M235 R236 Q283 A286 A287 L415 | M1-V238 VanDerWaalsContact CE-C 3.48Å; M1-V238 WeakPolarHBondContact CE-O 3.33Å; M230-V238 HydrophobicContact CE-CG2 3.99Å; M230-V238 HydrophobicContact SD-CG2 4.46Å; A234-V238 PolarHBondContact O-N 3.1Å; M235-V238 WeakPolarHBondContact O-CG2 3.44Å; M235-V238 PolarHBondContact O-N 3.11Å; M235-V238 VanDerWaalsContact O-N 3.14Å; M235-V238 HydrophobicContact SD-CG2 3.96Å; R236-V238 VanDerWaalsContact C-N 3.33Å; V238-Q283 HydrophobicContact CG2-CB 3.87Å; V238-Q283 HydrophobicContact CG2-CG 4.07Å; V238-A286 HydrophobicContact CG1-CB 3.93Å; V238-A287 HydrophobicContact CG1-CB 4.14Å; V238-L415 HydrophobicContact CG1-CD1 3.7Å; V238-L415 HydrophobicContact CG1-CD2 3.7Å; V238-L415 HydrophobicContact CG1-CG 4.15Å |
| 239 | A | 79.1 | Confident | 81.4 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -103 | 150.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1 M235 F244 L248 | M1-A239 WeakPolarHBondContact CE-O 3.3Å; M235-A239 HydrophobicContact CG-CB 4.24Å; M235-A239 WeakPolarHBondContact O-CB 3.35Å; M235-A239 PolarHBondContact O-N 3.27Å; M235-A239 HydrophobicContact SD-CB 4.08Å; A239-F244 HydrophobicContact CB-CD2 4.24Å; A239-L248 HydrophobicContact CB-CD1 4.39Å |
| 240 | Q | 71.5 | Confident | 81.4 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | trans | -72.4 | 142.9 | 172.1 | -64 | 175.6 | 27.7 | 0 | 0 | 108.5 | M1 S242 Q243 F244 | M1-Q240 HydrophobicContact CE-CB 4.33Å; M1-Q240 HydrophobicContact CE-CG 3.57Å; M1-Q240 HydrophobicContact SD-CG 4.43Å; Q240-S242 VanDerWaalsContact C-N 3.3Å; Q240-S242 PolarHBondContact O-N 3.26Å; Q240-Q243 HydrophobicContact CB-CB 4.36Å; Q240-Q243 HydrophobicContact CB-CG 4.05Å; Q240-Q243 PolarHBondContact O-N 2.97Å; Q240-F244 PolarHBondContact O-N 3.13Å | ||
| 241 | L | 61.7 | Low | 81.3 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.366 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | -175.2 | -80.3 | 159.2 | 0 | 0 | 0 | 111.9 | Y135 F244 | Y135-L241 HydrophobicContact CD2-CD1 4.23Å; L241-F244 WeakPolarHBondContact O-CB 3.39Å; L241-F244 PolarHBondContact O-N 3.09Å |
| 242 | S | 59.6 | Low | 81.3 | Confident | 60 Ų | 60 | 55 Ų | 55 | 42% | 0.42 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | Q240 F244 | Q240-S242 VanDerWaalsContact C-N 3.3Å; Q240-S242 PolarHBondContact O-N 3.26Å; S242-F244 PolarHBondContact O-N 2.88Å |
| 243 | Q | 63.2 | Low | 81.2 | Confident | 50 Ų | 50 | 54.6 Ų | 54.6 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69 | -20.7 | 178 | -64.2 | -172.7 | -54.3 | 0 | 0 | 113 | Q240 D245 E247 | Q240-Q243 HydrophobicContact CB-CB 4.36Å; Q240-Q243 HydrophobicContact CB-CG 4.05Å; Q240-Q243 PolarHBondContact O-N 2.97Å; Q243-D245 PolarHBondContact O-N 2.88Å; Q243-E247 HydrophobicContact CB-CG 4.32Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.45Å; Q243-E247 PolarHBondContact NE2-OE1 2.97Å; Q243-E247 PolarHBondContact NE2-OE2 2.91Å; Q243-E247 WeakPolarHBondContact O-CB 3.41Å; Q243-E247 PolarHBondContact O-N 2.98Å |
| 244 | F | 65.4 | Low | 81 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 4% | 0.044 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | -173.4 | -153.8 | -96.4 | 0 | 0 | 0 | 112.7 | K232 M235 R236 A239 Q240 L241 S242 L248 Y276 | K232-F244 HydrophobicContact CG-CE1 4.32Å; K232-F244 HydrophobicContact CG-CZ 3.99Å; M235-F244 HydrophobicContact CB-CE2 3.7Å; M235-F244 HydrophobicContact CB-CZ 4.22Å; M235-F244 HydrophobicContact CG-CD2 4.01Å; M235-F244 HydrophobicContact CG-CE2 3.36Å; M235-F244 HydrophobicContact CG-CZ 4.16Å; R236-F244 HydrophobicContact CG-CD2 4.43Å; R236-F244 HydrophobicContact CG-CE2 3.78Å; R236-F244 HydrophobicContact CG-CZ 3.93Å; A239-F244 HydrophobicContact CB-CD2 4.24Å; Q240-F244 PolarHBondContact O-N 3.13Å; L241-F244 WeakPolarHBondContact O-CB 3.39Å; L241-F244 PolarHBondContact O-N 3.09Å; S242-F244 PolarHBondContact O-N 2.88Å; F244-L248 HydrophobicContact CD2-CD1 4Å; F244-L248 HydrophobicContact CE2-CD1 4.42Å; F244-L248 HydrophobicContact CG-CD1 4.42Å; F244-Y276 HydrophobicContact CD1-CD1 4.42Å; F244-Y276 AromaticContact CD1-CE1 3.81Å; F244-Y276 HydrophobicContact CD1-CE1 3.81Å; F244-Y276 AromaticContact CE1-CD1 3.93Å; F244-Y276 HydrophobicContact CE1-CD1 3.93Å; F244-Y276 HydrophobicContact CE1-CD2 4.09Å; F244-Y276 AromaticContact CE1-CE1 3.29Å; F244-Y276 HydrophobicContact CE1-CE1 3.29Å; F244-Y276 AromaticContact CE1-CE2 3.54Å; F244-Y276 HydrophobicContact CE1-CE2 3.54Å; F244-Y276 HydrophobicContact CE1-CG 4.31Å; F244-Y276 AromaticContact CE1-CZ 3.1Å; F244-Y276 WeakPolarHBondContact CE1-OH 3.37Å; F244-Y276 HydrophobicContact CZ-CD1 4.05Å; F244-Y276 AromaticContact CZ-CD2 3.64Å; F244-Y276 HydrophobicContact CZ-CD2 3.64Å; F244-Y276 AromaticContact CZ-CE1 3.82Å; F244-Y276 HydrophobicContact CZ-CE1 3.82Å; F244-Y276 AromaticContact CZ-CE2 3.46Å; F244-Y276 HydrophobicContact CZ-CE2 3.46Å; F244-Y276 VanDerWaalsContact CZ-CE2 3.46Å; F244-Y276 AromaticContact CZ-CG 3.98Å; F244-Y276 HydrophobicContact CZ-CG 3.98Å; F244-Y276 AromaticContact CZ-CZ 3.56Å |
| 245 | D | 67.6 | Low | 80.2 | Confident | 127 Ų | 127 | 63.8 Ų | 63.8 | 68% | 0.679 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -87.7 | -32.3 | -176.6 | -69.4 | -27.4 | 0 | 0 | 0 | 112.3 | Q243 Q312 | Q243-D245 PolarHBondContact O-N 2.88Å; D245-Q312 PolarHBondContact O-NE2 3.05Å |
| 246 | E | 75.1 | Confident | 79.3 | Confident | 131 Ų | 131 | 70.6 Ų | 70.6 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -90.5 | -34.3 | -173.8 | -64.8 | -177.7 | 179.1 | 0 | 0 | 113.9 | Q312 V314 | E246-Q312 WeakPolarHBondContact O-CB 3.31Å; E246-Q312 PolarHBondContact O-OE1 2.97Å; E246-V314 WeakPolarHBondContact O-CG2 3.47Å |
| 247 | E | 82.5 | Confident | 78.3 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 34% | 0.336 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -30.1 | -171.5 | -60.7 | -178.6 | -172.4 | 0 | 0 | 113.6 | Q243 Q312 | Q243-E247 HydrophobicContact CB-CG 4.32Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.45Å; Q243-E247 PolarHBondContact NE2-OE1 2.97Å; Q243-E247 PolarHBondContact NE2-OE2 2.91Å; Q243-E247 WeakPolarHBondContact O-CB 3.41Å; Q243-E247 PolarHBondContact O-N 2.98Å; E247-Q312 PolarHBondContact O-N 3.2Å |
| 248 | L | 91.9 | Very high | 77 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.016 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -98.3 | 137.7 | -167.8 | -56.3 | -178.1 | 0 | 0 | 0 | 113.2 | M235 A239 F244 Y276 A279 Q312 | M235-L248 HydrophobicContact CE-CD1 4.14Å; M235-L248 HydrophobicContact CG-CD1 3.66Å; M235-L248 HydrophobicContact SD-CD1 3.84Å; A239-L248 HydrophobicContact CB-CD1 4.39Å; F244-L248 HydrophobicContact CD2-CD1 4Å; F244-L248 HydrophobicContact CE2-CD1 4.42Å; F244-L248 HydrophobicContact CG-CD1 4.42Å; L248-Y276 HydrophobicContact CB-CD1 4.14Å; L248-A279 HydrophobicContact CD2-CB 3.79Å; L248-Q312 PolarHBondContact O-NE2 2.84Å |
| 249 | Y | 93.8 | Very high | 75.6 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 30% | 0.302 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 126.2 | 170 | -73.9 | -84.8 | 0 | 0 | 0 | 111.1 | Y276 L277 F310 R311 Q312 H328 | Y249-Y276 CarbonylContact O-C 3.55Å; Y249-Y276 WeakPolarHBondContact O-CA 3Å; Y249-L277 HydrophobicContact CG-CD1 4.49Å; Y249-L277 PolarHBondContact O-N 3.36Å; Y249-F310 HydrophobicContact CD2-CB 3.86Å; Y249-F310 HydrophobicContact CE2-CB 4.38Å; Y249-R311 WeakPolarHBondContact CE2-O 3.21Å; Y249-Q312 HydrophobicContact CD1-CG 4.28Å; Y249-Q312 HydrophobicContact CD2-CG 4.21Å; Y249-Q312 HydrophobicContact CE1-CG 4.19Å; Y249-Q312 HydrophobicContact CE2-CG 4.17Å; Y249-Q312 HydrophobicContact CG-CG 4.29Å; Y249-H328 HydrophobicContact CE2-CB 4.4Å; Y249-H328 WeakPolarHBondContact OH-CB 3.45Å; Y249-H328 VanDerWaalsContact OH-CG 3.25Å; Y249-H328 PolarHBondContact OH-ND1 2.87Å; Y249-H328 VanDerWaalsContact OH-ND1 3.15Å |
| 250 | K | 92.4 | Very high | 74.1 | Confident | 112 Ų | 112 | 89.5 Ų | 89.5 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.7 | 172.7 | -171.5 | 172.7 | 75.6 | 167.4 | 0 | 111.3 | T252 E274 Y276 | K250-T252 HydrophobicContact CD-CG2 4.3Å; K250-T252 HydrophobicContact CG-CG2 4.26Å; K250-E274 IonicContact NZ-OE1 3.83Å; K250-E274 PolarHBondContact NZ-OE1 2.85Å; K250-Y276 HydrophobicContact CB-CD1 4.23Å; K250-Y276 HydrophobicContact CB-CE1 3.81Å; K250-Y276 HydrophobicContact CD-CE1 4.13Å; K250-Y276 VanDerWaalsContact CD-OH 3.32Å; K250-Y276 WeakPolarHBondContact CD-OH 3.33Å; K250-Y276 HydrophobicContact CG-CD1 4.47Å; K250-Y276 HydrophobicContact CG-CE1 3.85Å |
| 251 | V | 92.1 | Very high | 73.2 | Confident | 66 Ų | 66 | 90.8 Ų | 90.8 | 40% | 0.4 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.1 | 173.4 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | K275 L277 | V251-K275 PolarHBondContact N-O 2.69Å; V251-K275 PolarHBondContact O-N 3.43Å; V251-K275 VanDerWaalsContact O-O 3.1Å; V251-L277 HydrophobicContact CG2-CD1 4.3Å; V251-L277 HydrophobicContact CG2-CD2 4Å; V251-L277 HydrophobicContact CG2-CG 3.79Å |
| 252 | T | 91 | Very high | 72.7 | Confident | 77 Ų | 77 | 95.3 Ų | 95.3 | 47% | 0.472 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.5 | 177 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | K250 E274 | K250-T252 HydrophobicContact CD-CG2 4.3Å; K250-T252 HydrophobicContact CG-CG2 4.26Å; T252-E274 HydrophobicContact CG2-CG 4.29Å |
| 253 | G | 86.2 | Confident | 72.4 | Confident | 36 Ų | 36 | 98.3 Ų | 98.3 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 171.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E272 E273 | G253-E272 CarbonylContact O-C 3.56Å; G253-E272 WeakPolarHBondContact O-CA 3.26Å; G253-E273 PolarHBondContact N-O 2.75Å; G253-E273 PolarHBondContact O-N 3.43Å |
| 254 | R | 83.2 | Confident | 71.8 | Confident | 233 Ų | 233 | 103.9 Ų | 103.9 | 88% | 0.879 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 136.5 | 172.6 | -69.2 | -176.6 | -178 | 166.4 | 3.8 | 110 | ||
| 255 | R | 72.5 | Confident | 71.3 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 28% | 0.279 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 137.8 | 173.9 | -168.3 | 175.2 | 178.7 | 161.1 | 3.7 | 110.7 | L257 S265 E273 | R255-L257 PolarHBondContact O-N 2.75Å; R255-S265 PolarHBondContact NH1-O 3.4Å; R255-S265 PolarHBondContact NH1-OG 2.96Å; R255-S265 PolarHBondContact NH2-OG 2.87Å; R255-E273 HydrophobicContact CB-CB 4.34Å |
| 256 | E | 72.2 | Confident | 70.6 | Confident | 144 Ų | 144 | 106.8 Ų | 106.8 | 67% | 0.673 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 124.1 | 167 | -72.2 | -176 | 179.6 | 0 | 0 | 109.8 | N258 V259 | E256-N258 PolarHBondContact O-N 2.77Å; E256-N258 VanDerWaalsContact O-N 3.1Å; E256-V259 HydrophobicContact CB-CG2 3.9Å |
| 257 | L | 66.8 | Low | 69.5 | Low | 173 Ų | 173 | 104.3 Ų | 104.3 | 91% | 0.906 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -13.5 | -173.8 | -74.4 | 165.2 | 0 | 0 | 0 | 114.4 | R255 | R255-L257 PolarHBondContact O-N 2.75Š|
| 258 | N | 60.3 | Low | 68.3 | Low | 153 Ų | 153 | 104.7 Ų | 104.7 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 13.3 | -171.5 | -68.4 | -9.8 | 0 | 0 | 0 | 114.6 | E256 T260 | E256-N258 PolarHBondContact O-N 2.77Å; E256-N258 VanDerWaalsContact O-N 3.1Å; N258-T260 PolarHBondContact O-N 2.96Å |
| 259 | V | 59.4 | Low | 67 | Low | 55 Ų | 55 | 114.8 Ų | 114.8 | 33% | 0.333 | 59% | 0.586 | S | S | . | * | trans | -89.6 | 94.7 | -179.6 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | E256 T261 | E256-V259 HydrophobicContact CB-CG2 3.9Å; V259-T261 VanDerWaalsContact C-N 3.33Å; V259-T261 HydrophobicContact CG1-CG2 3.55Å; V259-T261 PolarHBondContact O-N 3.27Å | ||
| 260 | T | 47.8 | Very low | 65.8 | Low | 138 Ų | 138 | 114.7 Ų | 114.7 | 85% | 0.847 | 60% | 0.596 | S | S | * | * | trans | -67.2 | 88.7 | 165.6 | 51.9 | 0 | 0 | 0 | 0 | 108.8 | N258 | N258-T260 PolarHBondContact O-N 2.96Š| ||
| 261 | T | 53.4 | Low | 65 | Low | 46 Ų | 46 | 111 Ų | 111 | 28% | 0.282 | 59% | 0.59 | S | S | . | * | trans | -118.9 | 132.7 | 169 | 43.4 | 0 | 0 | 0 | 0 | 108.3 | V259 H263 | V259-T261 VanDerWaalsContact C-N 3.33Å; V259-T261 HydrophobicContact CG1-CG2 3.55Å; V259-T261 PolarHBondContact O-N 3.27Å; T261-H263 PolarHBondContact O-N 3.05Å | ||
| 262 | N | 50.3 | Low | 64.5 | Low | 165 Ų | 165 | 112.2 Ų | 112.2 | 88% | 0.882 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -66 | 8.7 | -175.3 | -67.1 | -19.3 | 0 | 0 | 0 | 114.4 | ||
| 263 | H | 53.9 | Low | 64.3 | Low | 122 Ų | 122 | 110.1 Ų | 110.1 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -107.4 | 114.1 | 176.9 | -73.1 | -68.7 | 0 | 0 | 0 | 108.5 | T261 S265 | T261-H263 PolarHBondContact O-N 3.05Å; H263-S265 PolarHBondContact O-N 3.42Å; H263-S265 PolarHBondContact O-OG 2.89Å; H263-S265 VanDerWaalsContact O-OG 3.14Å |
| 264 | D | 50.1 | Low | 64.4 | Low | 167 Ų | 167 | 110 Ų | 110 | 89% | 0.893 | 57% | 0.566 | S | S | * | * | trans | -55 | 70.4 | 164 | -70.3 | -33.4 | 0 | 0 | 0 | 109.7 | Q266 | D264-Q266 PolarHBondContact O-N 2.64Š| ||
| 265 | S | 53.7 | Low | 64.9 | Low | 25 Ų | 25 | 101.5 Ų | 101.5 | 18% | 0.175 | 54% | 0.535 | C | S | . | . | trans | -67.1 | 105.6 | 171 | 24.5 | 0 | 0 | 0 | 0 | 105 | R255 H263 T267 | R255-S265 PolarHBondContact NH1-O 3.4Å; R255-S265 PolarHBondContact NH1-OG 2.96Å; R255-S265 PolarHBondContact NH2-OG 2.87Å; H263-S265 PolarHBondContact O-N 3.42Å; H263-S265 PolarHBondContact O-OG 2.89Å; H263-S265 VanDerWaalsContact O-OG 3.14Å; S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 2.94Å | ||
| 266 | Q | 53.7 | Low | 65.9 | Low | 173 Ų | 173 | 98.4 Ų | 98.4 | 81% | 0.808 | 52% | 0.524 | S | S | * | . | trans | -48 | 101 | 170.5 | -69.5 | 174.9 | 0.7 | 0 | 0 | 107.3 | D264 N268 | D264-Q266 PolarHBondContact O-N 2.64Å; Q266-N268 PolarHBondContact O-N 3.37Å | ||
| 267 | T | 51.4 | Low | 67 | Low | 80 Ų | 80 | 93.1 Ų | 93.1 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | trans | -65.4 | 125.5 | 161.8 | 50.6 | 0 | 0 | 0 | 0 | 105.4 | S265 | S265-T267 VanDerWaalsContact C-N 3.33Å; S265-T267 PolarHBondContact O-N 2.94Å | ||
| 268 | N | 57.9 | Low | 68.4 | Low | 79 Ų | 79 | 84.9 Ų | 84.9 | 42% | 0.422 | 46% | 0.457 | S | S | . | . | trans | -56 | 155.5 | 158.9 | -64.9 | -12.1 | 0 | 0 | 0 | 107.7 | Q266 S270 G271 | Q266-N268 PolarHBondContact O-N 3.37Å; N268-S270 PolarHBondContact O-N 2.91Å; N268-G271 PolarHBondContact O-N 2.69Å | ||
| 269 | E | 64.3 | Low | 70.1 | Confident | 216 Ų | 216 | 77.8 Ų | 77.8 | 100% | 1.009 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -18 | -179.1 | -62 | -176 | 162.9 | 0 | 0 | 113.7 | ||
| 270 | S | 69.4 | Low | 71.8 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -14.2 | 175.8 | 61.5 | 0 | 0 | 0 | 0 | 116.4 | N268 E272 | N268-S270 PolarHBondContact O-N 2.91Å; S270-E272 PolarHBondContact OG-OE2 3.46Å |
| 271 | G | 75.1 | Confident | 74.1 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | trans | 74.8 | 20.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | N268 | N268-G271 PolarHBondContact O-N 2.69Š| ||
| 272 | E | 82.1 | Confident | 76.1 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 146.4 | 178.7 | -67.3 | 169.1 | 154.3 | 0 | 0 | 112 | G253 S270 | G253-E272 CarbonylContact O-C 3.56Å; G253-E272 WeakPolarHBondContact O-CA 3.26Å; S270-E272 PolarHBondContact OG-OE2 3.46Å |
| 273 | E | 86.3 | Confident | 78.2 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.5 | 172 | -172.8 | -176.9 | -167.2 | 0 | 0 | 109.3 | R231 G253 R255 K275 | R231-E273 IonicContact NE-OE1 2.79Å; R231-E273 PolarHBondContact NE-OE1 2.99Å; G253-E273 PolarHBondContact N-O 2.75Å; G253-E273 PolarHBondContact O-N 3.43Å; R255-E273 HydrophobicContact CB-CB 4.34Å; E273-K275 HydrophobicContact CG-CG 4.44Å; E273-K275 WeakPolarHBondContact OE1-CE 3.46Å; E273-K275 IonicContact OE1-NZ 3.73Å; E273-K275 WeakPolarHBondContact OE2-CE 3.34Å; E273-K275 IonicContact OE2-NZ 3.85Å; E273-K275 PolarHBondContact OE2-NZ 2.94Å; E273-K275 VanDerWaalsContact OE2-NZ 3.15Å |
| 274 | E | 89.5 | Confident | 80.2 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.6 | 172.3 | -59.9 | -165.7 | 139.5 | 0 | 0 | 110.7 | K232 K250 T252 Y276 | K232-E274 HydrophobicContact CD-CB 4.49Å; K232-E274 WeakPolarHBondContact CD-OE2 3.35Å; K232-E274 WeakPolarHBondContact CE-OE2 3.45Å; K232-E274 PolarHBondContact N-O 3.28Å; K232-E274 IonicContact NZ-OE2 3.53Å; K232-E274 PolarHBondContact NZ-OE2 2.83Å; K250-E274 IonicContact NZ-OE1 3.83Å; K250-E274 PolarHBondContact NZ-OE1 2.85Å; T252-E274 HydrophobicContact CG2-CG 4.29Å; E274-Y276 HydrophobicContact CB-CE2 4.42Å |
| 275 | K | 92.2 | Very high | 82.5 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 24% | 0.239 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.2 | 171.1 | -63 | -177.4 | -172.8 | 170.2 | 0 | 109.8 | F229 M230 V251 E273 | F229-K275 HydrophobicContact CB-CB 4.37Å; F229-K275 HydrophobicContact CD2-CD 3.83Å; F229-K275 HydrophobicContact CG-CD 4.47Å; M230-K275 CarbonylContact O-C 3.54Å; M230-K275 WeakPolarHBondContact O-CA 3.47Å; M230-K275 WeakPolarHBondContact O-CB 3.4Å; V251-K275 PolarHBondContact N-O 2.69Å; V251-K275 PolarHBondContact O-N 3.43Å; V251-K275 VanDerWaalsContact O-O 3.1Å; E273-K275 HydrophobicContact CG-CG 4.44Å; E273-K275 WeakPolarHBondContact OE1-CE 3.46Å; E273-K275 IonicContact OE1-NZ 3.73Å; E273-K275 WeakPolarHBondContact OE2-CE 3.34Å; E273-K275 IonicContact OE2-NZ 3.85Å; E273-K275 PolarHBondContact OE2-NZ 2.94Å; E273-K275 VanDerWaalsContact OE2-NZ 3.15Å |
| 276 | Y | 94 | Very high | 84.4 | Confident | 10 Ų | 10 | 47.2 Ų | 47.2 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.7 | -179.2 | -66.5 | -95.6 | 0 | 0 | 0 | 109.2 | F229 M230 K232 M235 F244 L248 Y249 K250 E274 | F229-Y276 CarbonylContact C-O 3.46Å; F229-Y276 WeakPolarHBondContact CA-O 3.35Å; M230-Y276 PolarHBondContact N-O 2.86Å; M230-Y276 PolarHBondContact O-N 2.85Å; K232-Y276 HydrophobicContact CB-CD2 4.37Å; K232-Y276 HydrophobicContact CB-CE2 3.82Å; K232-Y276 HydrophobicContact CD-CE2 4.4Å; K232-Y276 HydrophobicContact CG-CE2 3.78Å; M235-Y276 HydrophobicContact CG-CG 4.43Å; F244-Y276 HydrophobicContact CD1-CD1 4.42Å; F244-Y276 AromaticContact CD1-CE1 3.81Å; F244-Y276 HydrophobicContact CD1-CE1 3.81Å; F244-Y276 AromaticContact CE1-CD1 3.93Å; F244-Y276 HydrophobicContact CE1-CD1 3.93Å; F244-Y276 HydrophobicContact CE1-CD2 4.09Å; F244-Y276 AromaticContact CE1-CE1 3.29Å; F244-Y276 HydrophobicContact CE1-CE1 3.29Å; F244-Y276 AromaticContact CE1-CE2 3.54Å; F244-Y276 HydrophobicContact CE1-CE2 3.54Å; F244-Y276 HydrophobicContact CE1-CG 4.31Å; F244-Y276 AromaticContact CE1-CZ 3.1Å; F244-Y276 WeakPolarHBondContact CE1-OH 3.37Å; F244-Y276 HydrophobicContact CZ-CD1 4.05Å; F244-Y276 AromaticContact CZ-CD2 3.64Å; F244-Y276 HydrophobicContact CZ-CD2 3.64Å; F244-Y276 AromaticContact CZ-CE1 3.82Å; F244-Y276 HydrophobicContact CZ-CE1 3.82Å; F244-Y276 AromaticContact CZ-CE2 3.46Å; F244-Y276 HydrophobicContact CZ-CE2 3.46Å; F244-Y276 VanDerWaalsContact CZ-CE2 3.46Å; F244-Y276 AromaticContact CZ-CG 3.98Å; F244-Y276 HydrophobicContact CZ-CG 3.98Å; F244-Y276 AromaticContact CZ-CZ 3.56Å; L248-Y276 HydrophobicContact CB-CD1 4.14Å; Y249-Y276 CarbonylContact O-C 3.55Å; Y249-Y276 WeakPolarHBondContact O-CA 3Å; K250-Y276 HydrophobicContact CB-CD1 4.23Å; K250-Y276 HydrophobicContact CB-CE1 3.81Å; K250-Y276 HydrophobicContact CD-CE1 4.13Å; K250-Y276 VanDerWaalsContact CD-OH 3.32Å; K250-Y276 WeakPolarHBondContact CD-OH 3.33Å; K250-Y276 HydrophobicContact CG-CD1 4.47Å; K250-Y276 HydrophobicContact CG-CE1 3.85Å; E274-Y276 HydrophobicContact CB-CE2 4.42Å |
| 277 | L | 96.2 | Very high | 86.4 | Confident | 33 Ų | 33 | 39.9 Ų | 39.9 | 17% | 0.173 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 143 | 169.9 | -63.3 | 177.4 | 0 | 0 | 0 | 109.6 | F228 F229 Y249 V251 F310 | F228-L277 VanDerWaalsContact O-CA 3.26Å; F228-L277 WeakPolarHBondContact O-CA 3.35Å; F228-L277 WeakPolarHBondContact O-CD2 3.3Å; F229-L277 HydrophobicContact CB-CD2 4.46Å; Y249-L277 HydrophobicContact CG-CD1 4.49Å; Y249-L277 PolarHBondContact O-N 3.36Å; V251-L277 HydrophobicContact CG2-CD1 4.3Å; V251-L277 HydrophobicContact CG2-CD2 4Å; V251-L277 HydrophobicContact CG2-CG 3.79Å; L277-F310 HydrophobicContact CB-CB 3.82Å; L277-F310 HydrophobicContact CB-CD2 3.75Å; L277-F310 HydrophobicContact CB-CG 3.86Å; L277-F310 HydrophobicContact CD1-CB 4.13Å; L277-F310 HydrophobicContact CD1-CD1 3.77Å; L277-F310 HydrophobicContact CD1-CD2 4.07Å; L277-F310 HydrophobicContact CD1-CE1 4.15Å; L277-F310 HydrophobicContact CD1-CE2 4.45Å; L277-F310 HydrophobicContact CD1-CG 3.71Å; L277-F310 HydrophobicContact CD1-CZ 4.48Å; L277-F310 HydrophobicContact CD2-CD2 4.38Å; L277-F310 HydrophobicContact CD2-CE2 4.37Å; L277-F310 HydrophobicContact CG-CD2 4.28Å; L277-F310 HydrophobicContact CG-CG 4.32Å |
| 278 | I | 95.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -77.2 | 143.4 | -178.3 | 67.2 | 173.3 | 0 | 0 | 0 | 111.1 | F228 M230 M235 Q283 P284 F310 | F228-I278 HydrophobicContact CD1-CD1 4.14Å; F228-I278 PolarHBondContact O-N 2.99Å; M230-I278 HydrophobicContact CG-CG2 3.81Å; M230-I278 HydrophobicContact SD-CG2 3.94Å; M235-I278 HydrophobicContact CE-CG2 4.16Å; I278-Q283 VanDerWaalsContact CA-OE1 3.22Å; I278-P284 HydrophobicContact CD1-CG 4.09Å; I278-P284 HydrophobicContact CG2-CG 4.25Å; I278-F310 PolarHBondContact O-N 2.89Å | ||
| 279 | A | 94.9 | Very high | 90.4 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -96.3 | -10.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L248 F310 R311 | L248-A279 HydrophobicContact CD2-CB 3.79Å; A279-F310 WeakPolarHBondContact CA-O 3.43Å; A279-R311 HydrophobicContact CB-CG 4.01Å |
| 280 | T | 95.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -164.6 | 150.6 | 174.7 | 166.1 | 0 | 0 | 0 | 0 | 109.6 | E282 Q283 P284 E334 | T280-E282 HydrophobicContact CG2-CB 3.69Å; T280-E282 PolarHBondContact O-N 3.48Å; T280-E282 WeakPolarHBondContact OG1-CB 3.34Å; T280-E282 PolarHBondContact OG1-N 2.96Å; T280-Q283 HydrophobicContact CG2-CG 4.05Å; T280-Q283 PolarHBondContact O-N 3.19Å; T280-P284 WeakPolarHBondContact O-CD 3.24Å; T280-E334 PolarHBondContact OG1-OE2 3.27Å |
| 281 | S | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.9 | 167.7 | -72.4 | 0 | 0 | 0 | 0 | 113.9 | T226 Q283 P284 I285 S307 | T226-S281 PolarHBondContact OG1-OG 3.29Å; S281-Q283 PolarHBondContact O-N 3.27Å; S281-P284 WeakPolarHBondContact O-CD 3.31Å; S281-P284 WeakPolarHBondContact O-CG 3.4Å; S281-I285 WeakPolarHBondContact O-CB 3.03Å; S281-I285 WeakPolarHBondContact O-CD1 3.39Å; S281-I285 WeakPolarHBondContact O-CG1 3.21Å; S281-I285 PolarHBondContact O-N 2.96Å; S281-I285 VanDerWaalsContact O-N 3.08Å; S281-S307 WeakPolarHBondContact OG-CB 3.27Å; S281-S307 PolarHBondContact OG-OG 3.4Å |
| 282 | E | 95.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.2 | -41.6 | 172.8 | -178.9 | -162.6 | 153.3 | 0 | 0 | 111.7 | T280 I285 A286 E334 F336 Q411 N436 | T280-E282 HydrophobicContact CG2-CB 3.69Å; T280-E282 PolarHBondContact O-N 3.48Å; T280-E282 WeakPolarHBondContact OG1-CB 3.34Å; T280-E282 PolarHBondContact OG1-N 2.96Å; E282-I285 PolarHBondContact O-N 2.83Å; E282-A286 WeakPolarHBondContact O-CB 3.44Å; E282-A286 PolarHBondContact O-N 3.48Å; E282-E334 HydrophobicContact CB-CG 4.47Å; E282-F336 HydrophobicContact CB-CD2 4.24Å; E282-F336 HydrophobicContact CG-CD2 3.67Å; E282-F336 HydrophobicContact CG-CE2 3.56Å; E282-Q411 PolarHBondContact OE1-NE2 3.38Å; E282-N436 HydrophobicContact CB-CB 4.47Å; E282-N436 HydrophobicContact CG-CB 3.89Å; E282-N436 VanDerWaalsContact OE2-CG 3.31Å; E282-N436 PolarHBondContact OE2-ND2 2.94Å |
| 283 | Q | 94.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 9% | 0.089 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -55.8 | -176.2 | -69.9 | 168.2 | -28.7 | 0 | 0 | 112.4 | M230 M235 V238 I278 T280 S281 A287 | M230-Q283 WeakPolarHBondContact CE-O 3.39Å; M230-Q283 VanDerWaalsContact SD-C 3.6Å; M230-Q283 HydrophobicContact SD-CB 3.66Å; M235-Q283 HydrophobicContact CE-CB 4.48Å; M235-Q283 HydrophobicContact SD-CB 4.25Å; M235-Q283 HydrophobicContact SD-CG 4.14Å; V238-Q283 HydrophobicContact CG2-CB 3.87Å; V238-Q283 HydrophobicContact CG2-CG 4.07Å; I278-Q283 VanDerWaalsContact CA-OE1 3.22Å; T280-Q283 HydrophobicContact CG2-CG 4.05Å; T280-Q283 PolarHBondContact O-N 3.19Å; S281-Q283 PolarHBondContact O-N 3.27Å; Q283-A287 PolarHBondContact O-N 2.97Å |
| 284 | P | 96.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 10% | 0.097 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.6 | -32.5 | 176.6 | 25.5 | -34.2 | 0 | 0 | 0 | 113 | T226 M230 I278 T280 S281 A287 F288 | T226-P284 HydrophobicContact CG2-CB 4.43Å; T226-P284 HydrophobicContact CG2-CG 3.8Å; M230-P284 HydrophobicContact CG-CB 4.44Å; M230-P284 HydrophobicContact SD-CB 4.14Å; I278-P284 HydrophobicContact CD1-CG 4.09Å; I278-P284 HydrophobicContact CG2-CG 4.25Å; T280-P284 WeakPolarHBondContact O-CD 3.24Å; S281-P284 WeakPolarHBondContact O-CD 3.31Å; S281-P284 WeakPolarHBondContact O-CG 3.4Å; P284-A287 PolarHBondContact O-N 3.33Å; P284-F288 PolarHBondContact O-N 3Å |
| 285 | I | 97.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 178.9 | -64.5 | 169.2 | 0 | 0 | 0 | 111 | L224 T226 S281 E282 A287 F288 Y303 F336 | L224-I285 HydrophobicContact CD1-CD1 4.32Å; L224-I285 HydrophobicContact CD1-CG1 4.04Å; L224-I285 HydrophobicContact CD1-CG2 4.49Å; T226-I285 HydrophobicContact CG2-CD1 3.99Å; T226-I285 HydrophobicContact CG2-CG1 3.68Å; S281-I285 WeakPolarHBondContact O-CB 3.03Å; S281-I285 WeakPolarHBondContact O-CD1 3.39Å; S281-I285 WeakPolarHBondContact O-CG1 3.21Å; S281-I285 PolarHBondContact O-N 2.96Å; S281-I285 VanDerWaalsContact O-N 3.08Å; E282-I285 PolarHBondContact O-N 2.83Å; I285-A287 VanDerWaalsContact C-N 3.27Å; I285-A287 PolarHBondContact O-N 3.17Å; I285-F288 WeakPolarHBondContact O-CB 3.37Å; I285-F288 PolarHBondContact O-N 3.39Å; I285-Y303 HydrophobicContact CG2-CD2 3.53Å; I285-Y303 HydrophobicContact CG2-CE2 4.23Å; I285-Y303 HydrophobicContact CG2-CG 4.16Å; I285-F336 HydrophobicContact CB-CD1 4.32Å; I285-F336 HydrophobicContact CB-CG 4.3Å; I285-F336 HydrophobicContact CD1-CB 4.39Å; I285-F336 HydrophobicContact CG2-CB 3.95Å; I285-F336 HydrophobicContact CG2-CD1 3.35Å; I285-F336 HydrophobicContact CG2-CE1 3.93Å; I285-F336 HydrophobicContact CG2-CG 3.69Å |
| 286 | A | 94.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V238 E282 F288 F336 L415 I417 | V238-A286 HydrophobicContact CG1-CB 3.93Å; E282-A286 WeakPolarHBondContact O-CB 3.44Å; E282-A286 PolarHBondContact O-N 3.48Å; A286-F288 VanDerWaalsContact C-N 3.27Å; A286-F288 PolarHBondContact O-N 3Å; A286-F336 HydrophobicContact CB-CE2 4.08Å; A286-F336 HydrophobicContact CB-CZ 3.74Å; A286-L415 HydrophobicContact CB-CD1 3.73Å; A286-L415 VanDerWaalsContact O-CD1 3.26Å; A286-L415 WeakPolarHBondContact O-CD1 3.46Å; A286-I417 VanDerWaalsContact O-CD1 3.22Å; A286-I417 WeakPolarHBondContact O-CD1 3.44Å |
| 287 | A | 95.2 | Very high | 95.8 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -76.1 | -10.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M230 V238 Q283 P284 I285 H289 Q290 L415 | M230-A287 HydrophobicContact CE-CB 3.8Å; V238-A287 HydrophobicContact CG1-CB 4.14Å; Q283-A287 PolarHBondContact O-N 2.97Å; P284-A287 PolarHBondContact O-N 3.33Å; I285-A287 VanDerWaalsContact C-N 3.27Å; I285-A287 PolarHBondContact O-N 3.17Å; A287-H289 VanDerWaalsContact C-N 3.27Å; A287-H289 PolarHBondContact O-N 3.18Å; A287-Q290 VanDerWaalsContact O-CB 3.31Å; A287-Q290 WeakPolarHBondContact O-CB 3.14Å; A287-Q290 PolarHBondContact O-N 3.41Å; A287-L415 HydrophobicContact CB-CD2 4.34Å |
| 288 | F | 96.8 | Very high | 95.8 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 53% | 0.526 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -34.6 | -176.8 | -173.7 | -123.1 | 0 | 0 | 0 | 112.6 | P284 I285 A286 Y303 | P284-F288 PolarHBondContact O-N 3Å; I285-F288 WeakPolarHBondContact O-CB 3.37Å; I285-F288 PolarHBondContact O-N 3.39Å; A286-F288 VanDerWaalsContact C-N 3.27Å; A286-F288 PolarHBondContact O-N 3Å; F288-Y303 HydrophobicContact CD1-CE2 4.38Å |
| 289 | H | 95.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 19.5 | 179.2 | -67.7 | -73.4 | 0 | 0 | 0 | 113.4 | A287 D291 E292 Y303 I338 I417 | A287-H289 VanDerWaalsContact C-N 3.27Å; A287-H289 PolarHBondContact O-N 3.18Å; H289-D291 PolarHBondContact O-N 2.72Å; H289-E292 IonicContact CE1-OE2 2.65Å; H289-E292 IonicContact CG-OE2 3.91Å; H289-E292 IonicContact ND1-OE2 3.95Å; H289-E292 PolarHBondContact ND1-OE2 3.3Å; H289-E292 VanDerWaalsContact O-CB 3.32Å; H289-E292 WeakPolarHBondContact O-CB 3.42Å; H289-E292 WeakPolarHBondContact O-CG 3.39Å; H289-E292 PolarHBondContact O-N 3.4Å; H289-E292 VanDerWaalsContact O-N 3.15Å; H289-Y303 PolarHBondContact CE1-OH 3.1Å; H289-Y303 AromaticContact NE2-CE2 3.36Å; H289-Y303 WeakPolarHBondContact NE2-CE2 3.42Å; H289-Y303 AromaticContact NE2-CZ 3.61Å; H289-Y303 PolarHBondContact NE2-OH 2.93Å; H289-I338 HydrophobicContact CB-CD1 4.46Å; H289-I338 WeakPolarHBondContact CD2-CD1 3.29Å; H289-I417 HydrophobicContact CB-CD1 3.82Å; H289-I417 HydrophobicContact CB-CG1 4.47Å; H289-I417 HydrophobicContact CB-CG2 4.08Å; H289-I417 VanDerWaalsContact O-CG1 3.28Å; H289-I417 WeakPolarHBondContact O-CG1 3.28Å |
| 290 | Q | 95.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 48 Ų | 48 | 32% | 0.322 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136 | -175 | -171.2 | -173.4 | -29.9 | 0 | 0 | 111.3 | A287 E292 L415 | A287-Q290 VanDerWaalsContact O-CB 3.31Å; A287-Q290 WeakPolarHBondContact O-CB 3.14Å; A287-Q290 PolarHBondContact O-N 3.41Å; Q290-E292 PolarHBondContact O-N 3.08Å; Q290-L415 WeakPolarHBondContact CA-O 3.47Å; Q290-L415 HydrophobicContact CG-CD2 4.23Å; Q290-L415 WeakPolarHBondContact CG-O 3.44Å |
| 291 | D | 95.4 | Very high | 96.3 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 3.4 | -179.8 | -65.4 | -63.4 | 0 | 0 | 0 | 116.1 | H289 L415 A416 R418 | H289-D291 PolarHBondContact O-N 2.72Å; D291-L415 PolarHBondContact N-O 3.41Å; D291-A416 CarbonylContact C-O 3.52Å; D291-A416 WeakPolarHBondContact CA-O 3.49Å; D291-A416 WeakPolarHBondContact OD1-CB 3.37Å; D291-R418 PolarHBondContact O-NH1 3.17Å; D291-R418 VanDerWaalsContact O-NH1 3.08Å |
| 292 | E | 96 | Very high | 96.4 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | trans | -78.5 | 156.7 | -178.1 | -63.2 | -172.5 | 165.1 | 0 | 0 | 114.1 | H289 Q290 L294 R418 | H289-E292 IonicContact CE1-OE2 2.65Å; H289-E292 IonicContact CG-OE2 3.91Å; H289-E292 IonicContact ND1-OE2 3.95Å; H289-E292 PolarHBondContact ND1-OE2 3.3Å; H289-E292 VanDerWaalsContact O-CB 3.32Å; H289-E292 WeakPolarHBondContact O-CB 3.42Å; H289-E292 WeakPolarHBondContact O-CG 3.39Å; H289-E292 PolarHBondContact O-N 3.4Å; H289-E292 VanDerWaalsContact O-N 3.15Å; Q290-E292 PolarHBondContact O-N 3.08Å; E292-L294 HydrophobicContact CB-CD2 4.26Å; E292-R418 PolarHBondContact O-N 2.89Å | ||
| 293 | W | 97 | Very high | 96.5 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 29% | 0.292 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 114.3 | 164.1 | -75.7 | 85.9 | 0 | 0 | 0 | 107.6 | P295 R418 G420 K423 V429 | W293-P295 WeakPolarHBondContact O-CD 3.37Å; W293-R418 HydrophobicContact CD2-CB 3.7Å; W293-R418 HydrophobicContact CD2-CG 4.4Å; W293-R418 HydrophobicContact CE3-CB 3.54Å; W293-R418 HydrophobicContact CG-CB 4.25Å; W293-R418 HydrophobicContact CH2-CB 4.19Å; W293-R418 HydrophobicContact CH2-CG 4.48Å; W293-R418 HydrophobicContact CZ2-CB 4.37Å; W293-R418 HydrophobicContact CZ2-CG 4.4Å; W293-R418 HydrophobicContact CZ3-CB 3.8Å; W293-G420 CarbonylContact C-O 3.45Å; W293-G420 WeakPolarHBondContact CB-O 3.33Å; W293-K423 VanDerWaalsContact CH2-CA 3.45Å; W293-K423 HydrophobicContact CH2-CB 3.71Å; W293-K423 HydrophobicContact CZ2-CB 3.94Å; W293-V429 HydrophobicContact CH2-CG1 4.01Å; W293-V429 HydrophobicContact CH2-CG2 4.24Å |
| 294 | L | 97 | Very high | 96.7 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.2 | -177 | -63.6 | -177.8 | 0 | 0 | 0 | 110.5 | E292 I301 I338 I417 R418 G420 V432 | E292-L294 HydrophobicContact CB-CD2 4.26Å; L294-I301 HydrophobicContact CD1-CD1 4.18Å; L294-I301 HydrophobicContact CD2-CD1 4.3Å; L294-I338 HydrophobicContact CD1-CD1 4.24Å; L294-I338 HydrophobicContact CD1-CG2 3.75Å; L294-I417 HydrophobicContact CD1-CG2 3.6Å; L294-I417 HydrophobicContact CG-CG2 4.03Å; L294-R418 PolarHBondContact N-O 3.12Å; L294-G420 CarbonylContact C-O 3.43Å; L294-G420 PolarHBondContact N-O 3.46Å; L294-G420 WeakPolarHBondContact O-CA 3.47Å; L294-G420 PolarHBondContact O-N 2.87Å; L294-V432 HydrophobicContact CB-CG1 4.3Å; L294-V432 HydrophobicContact CD1-CG1 4.17Å; L294-V432 HydrophobicContact CD1-CG2 4.41Å |
| 295 | P | 95.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | trans | -60.3 | 148.5 | 175.9 | -22 | 34.5 | 0 | 0 | 0 | 112.2 | W293 D297 Q298 Q421 | W293-P295 WeakPolarHBondContact O-CD 3.37Å; P295-D297 WeakPolarHBondContact CB-OD1 3.34Å; P295-D297 PolarHBondContact O-N 2.95Å; P295-Q298 HydrophobicContact CB-CG 4.32Å; P295-Q298 HydrophobicContact CG-CG 4.4Å; P295-Q298 PolarHBondContact O-N 2.9Å; P295-Q298 VanDerWaalsContact O-N 3.13Å; P295-Q421 HydrophobicContact CB-CG 4.37Å | ||
| 296 | I | 95.3 | Very high | 96.9 | Very high | 110 Ų | 110 | 50.5 Ų | 50.5 | 56% | 0.564 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -61.2 | -37.3 | -176.4 | -56.9 | 177.6 | 0 | 0 | 0 | 111.1 | Q298 L299 F419 | I296-Q298 PolarHBondContact O-N 3.04Å; I296-L299 PolarHBondContact O-N 2.99Å; I296-L299 VanDerWaalsContact O-N 3.16Å; I296-F419 HydrophobicContact CD1-CE1 4.34Å; I296-F419 HydrophobicContact CD1-CZ 3.95Å; I296-F419 HydrophobicContact CG1-CE1 4.37Å; I296-F419 HydrophobicContact CG1-CE2 3.95Å; I296-F419 HydrophobicContact CG1-CZ 3.72Å |
| 297 | D | 96.1 | Very high | 97.1 | Very high | 133 Ų | 133 | 50.5 Ų | 50.5 | 71% | 0.711 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -71.1 | -9.3 | -179.3 | 57.3 | -57.9 | 0 | 0 | 0 | 114.4 | P295 | P295-D297 WeakPolarHBondContact CB-OD1 3.34Å; P295-D297 PolarHBondContact O-N 2.95Å |
| 298 | Q | 95.9 | Very high | 97.2 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 49% | 0.486 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -92.4 | -9.4 | 172.6 | -64.4 | -175.5 | 4.5 | 0 | 0 | 113 | P295 I296 I301 | P295-Q298 HydrophobicContact CB-CG 4.32Å; P295-Q298 HydrophobicContact CG-CG 4.4Å; P295-Q298 PolarHBondContact O-N 2.9Å; P295-Q298 VanDerWaalsContact O-N 3.13Å; I296-Q298 PolarHBondContact O-N 3.04Å; Q298-I301 WeakPolarHBondContact O-CG1 3.44Å |
| 299 | L | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 44.7 Ų | 44.7 | 15% | 0.152 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -96.1 | 145.2 | -175.5 | -61.7 | 171.9 | 0 | 0 | 0 | 111.4 | I296 I301 I338 F419 V432 | I296-L299 PolarHBondContact O-N 2.99Å; I296-L299 VanDerWaalsContact O-N 3.16Å; L299-I301 HydrophobicContact CD2-CD1 4.43Å; L299-I301 HydrophobicContact CD2-CG1 4.25Å; L299-I338 HydrophobicContact CD2-CB 4.4Å; L299-I338 HydrophobicContact CD2-CG2 3.92Å; L299-I338 WeakPolarHBondContact CD2-O 3.46Å; L299-F419 HydrophobicContact CD1-CD2 3.68Å; L299-F419 HydrophobicContact CD1-CE2 3.68Å; L299-V432 HydrophobicContact CD1-CG1 4.16Å |
| 300 | P | 98.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 42% | 0.416 | 23% | 0.229 | S | C | . | . | S | Bend | cis | -78.3 | 141.3 | -2.9 | 32.9 | -35.2 | 0 | 0 | 0 | 112.6 | I338 T339 M349 | P300-I338 CarbonylContact C-O 3.6Å; P300-I338 VanDerWaalsContact CA-O 3.28Å; P300-I338 WeakPolarHBondContact CA-O 3.39Å; P300-T339 HydrophobicContact CB-CG2 4.06Å; P300-M349 HydrophobicContact CB-CE 3.88Å; P300-M349 HydrophobicContact CG-CE 3.78Å |
| 301 | I | 98.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130.3 | 167.8 | -58.2 | 171.4 | 0 | 0 | 0 | 107.7 | L294 Q298 L299 Y303 C337 I338 | L294-I301 HydrophobicContact CD1-CD1 4.18Å; L294-I301 HydrophobicContact CD2-CD1 4.3Å; Q298-I301 WeakPolarHBondContact O-CG1 3.44Å; L299-I301 HydrophobicContact CD2-CD1 4.43Å; L299-I301 HydrophobicContact CD2-CG1 4.25Å; I301-Y303 HydrophobicContact CG2-CD2 4.01Å; I301-Y303 HydrophobicContact CG2-CE1 4.06Å; I301-Y303 HydrophobicContact CG2-CE2 3.34Å; I301-Y303 WeakPolarHBondContact CG2-OH 3.47Å; I301-C337 CarbonylContact O-C 3.56Å; I301-C337 VanDerWaalsContact O-CA 3.29Å; I301-C337 WeakPolarHBondContact O-CA 3.36Å; I301-I338 HydrophobicContact CB-CB 4.31Å; I301-I338 PolarHBondContact N-O 2.81Å; I301-I338 PolarHBondContact O-N 2.9Å |
| 302 | K | 98.8 | Very high | 97 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 123.2 | -176.1 | -52.1 | -176.7 | -161.4 | 179 | 0 | 110.3 | F221 T222 M349 | F221-K302 HydrophobicContact CB-CB 4.39Å; F221-K302 HydrophobicContact CD1-CB 3.65Å; F221-K302 HydrophobicContact CD2-CB 4.26Å; F221-K302 HydrophobicContact CD2-CD 4.18Å; F221-K302 HydrophobicContact CE1-CB 3.88Å; F221-K302 HydrophobicContact CE2-CB 4.47Å; F221-K302 HydrophobicContact CE2-CD 3.96Å; F221-K302 HydrophobicContact CG-CB 3.84Å; F221-K302 HydrophobicContact CZ-CB 4.29Å; F221-K302 HydrophobicContact CZ-CD 4.17Å; T222-K302 PolarHBondContact N-O 3.36Å; K302-M349 HydrophobicContact CD-CE 4.3Å |
| 303 | Y | 98.8 | Very high | 96.7 | Very high | 24 Ų | 24 | 42 Ų | 42 | 9% | 0.094 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.5 | 179.1 | -66 | -58.3 | 0 | 0 | 0 | 112.6 | F221 T222 L224 I285 F288 H289 I301 Q335 F336 | F221-Y303 WeakPolarHBondContact CD1-O 3.28Å; T222-Y303 HydrophobicContact CG2-CD1 4.36Å; T222-Y303 HydrophobicContact CG2-CE1 4.35Å; T222-Y303 CarbonylContact O-C 3.58Å; T222-Y303 VanDerWaalsContact O-CA 3.32Å; T222-Y303 WeakPolarHBondContact O-CA 3.32Å; L224-Y303 HydrophobicContact CD1-CD1 3.34Å; L224-Y303 HydrophobicContact CD1-CD2 4.11Å; L224-Y303 HydrophobicContact CD1-CE1 3.72Å; L224-Y303 HydrophobicContact CD1-CE2 4.41Å; L224-Y303 HydrophobicContact CD1-CG 3.56Å; L224-Y303 HydrophobicContact CD2-CD1 4.43Å; L224-Y303 HydrophobicContact CG-CD1 3.68Å; L224-Y303 HydrophobicContact CG-CE1 4.19Å; L224-Y303 HydrophobicContact CG-CG 4.24Å; I285-Y303 HydrophobicContact CG2-CD2 3.53Å; I285-Y303 HydrophobicContact CG2-CE2 4.23Å; I285-Y303 HydrophobicContact CG2-CG 4.16Å; F288-Y303 HydrophobicContact CD1-CE2 4.38Å; H289-Y303 PolarHBondContact CE1-OH 3.1Å; H289-Y303 AromaticContact NE2-CE2 3.36Å; H289-Y303 WeakPolarHBondContact NE2-CE2 3.42Å; H289-Y303 AromaticContact NE2-CZ 3.61Å; H289-Y303 PolarHBondContact NE2-OH 2.93Å; I301-Y303 HydrophobicContact CG2-CD2 4.01Å; I301-Y303 HydrophobicContact CG2-CE1 4.06Å; I301-Y303 HydrophobicContact CG2-CE2 3.34Å; I301-Y303 WeakPolarHBondContact CG2-OH 3.47Å; Y303-Q335 WeakPolarHBondContact O-CA 3.16Å; Y303-F336 HydrophobicContact CD2-CD1 4.48Å; Y303-F336 PolarHBondContact N-O 3.41Å; Y303-F336 PolarHBondContact O-N 3.14Å |
| 304 | A | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 92.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L213 L216 F221 T222 P223 L224 E334 | L213-A304 HydrophobicContact CD2-CB 4.21Å; L216-A304 HydrophobicContact CB-CB 4.05Å; L216-A304 HydrophobicContact CD1-CB 3.57Å; L216-A304 HydrophobicContact CG-CB 4.47Å; F221-A304 HydrophobicContact CB-CB 4.07Å; T222-A304 PolarHBondContact O-N 3.39Å; P223-A304 CarbonylContact C-O 3.5Å; P223-A304 WeakPolarHBondContact CA-O 3.43Å; L224-A304 PolarHBondContact N-O 2.93Å; A304-E334 CarbonylContact C-O 3.54Å; A304-E334 WeakPolarHBondContact CA-O 2.9Å |
| 305 | G | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 121.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L224 V333 E334 | L224-G305 WeakPolarHBondContact O-CA 3.46Å; G305-V333 CarbonylContact O-C 3.55Å; G305-V333 VanDerWaalsContact O-CA 3.32Å; G305-V333 WeakPolarHBondContact O-CA 3.35Å; G305-E334 PolarHBondContact N-O 2.99Å; G305-E334 PolarHBondContact O-N 2.83Å |
| 306 | I | 98.5 | Very high | 94.2 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 18% | 0.179 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.6 | 170.2 | 179.8 | 176.4 | 0 | 0 | 0 | 109.7 | I209 L213 L224 Y225 | I209-I306 HydrophobicContact CG2-CD1 3.5Å; I209-I306 VanDerWaalsContact CG2-CD1 3.5Å; I209-I306 HydrophobicContact CG2-CG1 4.47Å; L213-I306 HydrophobicContact CD1-CD1 4.17Å; L224-I306 WeakPolarHBondContact O-CG2 3.42Å; L224-I306 PolarHBondContact O-N 3.27Å; Y225-I306 HydrophobicContact CD2-CG2 4.34Å |
| 307 | S | 98.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 157.1 | 173.5 | 60.7 | 0 | 0 | 0 | 0 | 115 | S281 C309 E331 K332 | S281-S307 WeakPolarHBondContact OG-CB 3.27Å; S281-S307 PolarHBondContact OG-OG 3.4Å; S307-C309 PolarHBondContact OG-SG 3.41Å; S307-E331 VanDerWaalsContact C-OE2 3.28Å; S307-K332 PolarHBondContact N-O 2.91Å; S307-K332 VanDerWaalsContact N-O 3.13Å; S307-K332 PolarHBondContact O-N 3.17Å |
| 308 | T | 98.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121.2 | 154.9 | -49 | 0 | 0 | 0 | 0 | 108.7 | F310 Q329 E331 | T308-F310 HydrophobicContact CG2-CE1 4.08Å; T308-F310 HydrophobicContact CG2-CE2 3.81Å; T308-F310 HydrophobicContact CG2-CZ 3.49Å; T308-F310 VanDerWaalsContact CG2-CZ 3.49Å; T308-F310 WeakPolarHBondContact O-CE2 3.44Å; T308-Q329 HydrophobicContact CG2-CG 3.46Å; T308-Q329 VanDerWaalsContact CG2-CG 3.46Å; T308-E331 WeakPolarHBondContact CA-OE2 3.22Å; T308-E331 WeakPolarHBondContact CB-OE1 3.35Å; T308-E331 WeakPolarHBondContact CG2-OE1 3.18Å; T308-E331 PolarHBondContact N-OE2 3.37Å; T308-E331 VanDerWaalsContact N-OE2 3.15Å; T308-E331 VanDerWaalsContact OG1-CD 3.3Å; T308-E331 PolarHBondContact OG1-OE1 3.36Å; T308-E331 PolarHBondContact OG1-OE2 2.9Å |
| 309 | C | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 148 | 178.2 | -65.4 | 0 | 0 | 0 | 0 | 111 | S307 Q329 F330 | S307-C309 PolarHBondContact OG-SG 3.41Å; C309-Q329 WeakPolarHBondContact O-CA 3.23Å; C309-F330 HydrophobicContact CB-CD1 4.48Å; C309-F330 HydrophobicContact CB-CD2 4.05Å; C309-F330 HydrophobicContact CB-CE1 4.06Å; C309-F330 HydrophobicContact CB-CE2 3.58Å; C309-F330 HydrophobicContact CB-CG 4.48Å; C309-F330 HydrophobicContact CB-CZ 3.58Å; C309-F330 PolarHBondContact N-O 2.89Å; C309-F330 PolarHBondContact O-N 3.49Å; C309-F330 VanDerWaalsContact O-N 3.12Å |
| 310 | F | 96.5 | Very high | 91.3 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.2 | -177.5 | -55.7 | -93 | 0 | 0 | 0 | 111.1 | F228 Y249 L277 I278 A279 T308 H328 Q329 | F228-F310 HydrophobicContact CB-CE2 4.21Å; Y249-F310 HydrophobicContact CD2-CB 3.86Å; Y249-F310 HydrophobicContact CE2-CB 4.38Å; L277-F310 HydrophobicContact CB-CB 3.82Å; L277-F310 HydrophobicContact CB-CD2 3.75Å; L277-F310 HydrophobicContact CB-CG 3.86Å; L277-F310 HydrophobicContact CD1-CB 4.13Å; L277-F310 HydrophobicContact CD1-CD1 3.77Å; L277-F310 HydrophobicContact CD1-CD2 4.07Å; L277-F310 HydrophobicContact CD1-CE1 4.15Å; L277-F310 HydrophobicContact CD1-CE2 4.45Å; L277-F310 HydrophobicContact CD1-CG 3.71Å; L277-F310 HydrophobicContact CD1-CZ 4.48Å; L277-F310 HydrophobicContact CD2-CD2 4.38Å; L277-F310 HydrophobicContact CD2-CE2 4.37Å; L277-F310 HydrophobicContact CG-CD2 4.28Å; L277-F310 HydrophobicContact CG-CG 4.32Å; I278-F310 PolarHBondContact O-N 2.89Å; A279-F310 WeakPolarHBondContact CA-O 3.43Å; T308-F310 HydrophobicContact CG2-CE1 4.08Å; T308-F310 HydrophobicContact CG2-CE2 3.81Å; T308-F310 HydrophobicContact CG2-CZ 3.49Å; T308-F310 VanDerWaalsContact CG2-CZ 3.49Å; T308-F310 WeakPolarHBondContact O-CE2 3.44Å; F310-H328 CarbonylContact C-O 3.53Å; F310-H328 VanDerWaalsContact CA-O 3.23Å; F310-H328 WeakPolarHBondContact CA-O 3.43Å; F310-Q329 HydrophobicContact CD1-CB 4.3Å; F310-Q329 HydrophobicContact CD1-CG 4.23Å; F310-Q329 HydrophobicContact CE1-CB 4.32Å; F310-Q329 HydrophobicContact CE1-CG 3.82Å; F310-Q329 HydrophobicContact CZ-CG 4.44Å |
| 311 | R | 93.6 | Very high | 90.7 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 28% | 0.275 | 25% | 0.249 | S | C | . | . | trans | -135.1 | 132.4 | 177.1 | -65.3 | -174.8 | -177.8 | -169.2 | -3 | 110.9 | Y249 A279 E313 H328 F330 | Y249-R311 WeakPolarHBondContact CE2-O 3.21Å; A279-R311 HydrophobicContact CB-CG 4.01Å; R311-E313 HydrophobicContact CB-CG 4.09Å; R311-E313 WeakPolarHBondContact CB-OE1 3.46Å; R311-E313 PolarHBondContact O-N 3.35Å; R311-H328 PolarHBondContact N-O 3.23Å; R311-H328 WeakPolarHBondContact O-CA 3.26Å; R311-H328 PolarHBondContact O-ND1 3.38Å; R311-F330 HydrophobicContact CG-CE1 4.16Å; R311-F330 HydrophobicContact CG-CZ 4.45Å | ||
| 312 | Q | 91.6 | Very high | 90.3 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | trans | -65.3 | -23.2 | 177.6 | -67.6 | -168.1 | 22 | 0 | 0 | 112.8 | D245 E246 E247 L248 Y249 V314 H328 | D245-Q312 PolarHBondContact O-NE2 3.05Å; E246-Q312 WeakPolarHBondContact O-CB 3.31Å; E246-Q312 PolarHBondContact O-OE1 2.97Å; E247-Q312 PolarHBondContact O-N 3.2Å; L248-Q312 PolarHBondContact O-NE2 2.84Å; Y249-Q312 HydrophobicContact CD1-CG 4.28Å; Y249-Q312 HydrophobicContact CD2-CG 4.21Å; Y249-Q312 HydrophobicContact CE1-CG 4.19Å; Y249-Q312 HydrophobicContact CE2-CG 4.17Å; Y249-Q312 HydrophobicContact CG-CG 4.29Å; Q312-V314 HydrophobicContact CB-CG2 3.79Å; Q312-V314 PolarHBondContact O-N 3.03Å; Q312-V314 VanDerWaalsContact O-N 3.15Å; Q312-H328 PolarHBondContact O-CE1 2.81Å; Q312-H328 PolarHBondContact O-ND1 3.39Å | ||
| 313 | E | 88.9 | Confident | 90.1 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | trans | 54.8 | 30.3 | 177.4 | -61.5 | -69.5 | 151.1 | 0 | 0 | 114.1 | R193 R311 S316 R326 | R193-E313 IonicContact NH1-OE2 3.81Å; R311-E313 HydrophobicContact CB-CG 4.09Å; R311-E313 WeakPolarHBondContact CB-OE1 3.46Å; R311-E313 PolarHBondContact O-N 3.35Å; E313-S316 PolarHBondContact O-N 3.36Å; E313-S316 PolarHBondContact O-OG 3.45Å; E313-R326 HydrophobicContact CG-CG 4.46Å; E313-R326 WeakPolarHBondContact OE2-CD 3.45Å; E313-R326 WeakPolarHBondContact OE2-CG 3.31Å; E313-R326 IonicContact OE2-NE 3.22Å | ||
| 314 | V | 78.8 | Confident | 90 | Very high | 100 Ų | 100 | 50 Ų | 50 | 61% | 0.606 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 137.4 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | E246 Q312 S316 | E246-V314 WeakPolarHBondContact O-CG2 3.47Å; Q312-V314 HydrophobicContact CB-CG2 3.79Å; Q312-V314 PolarHBondContact O-N 3.03Å; Q312-V314 VanDerWaalsContact O-N 3.15Å; V314-S316 PolarHBondContact O-N 3Å; V314-S316 VanDerWaalsContact O-N 3.15Å |
| 315 | G | 79.9 | Confident | 89.9 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -1.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | H317 | G315-H317 VanDerWaalsContact C-CE1 3.42Å; G315-H317 PolarHBondContact O-CE1 2.79Å; G315-H317 PolarHBondContact O-ND1 3.14Å |
| 316 | S | 77.6 | Confident | 89.8 | Confident | 16 Ų | 16 | 53.8 Ų | 53.8 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | trans | -81.3 | 134.9 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | R193 E313 V314 | R193-S316 PolarHBondContact NH1-OG 3.23Å; R193-S316 PolarHBondContact NH2-O 3.44Å; R193-S316 PolarHBondContact NH2-OG 2.91Å; E313-S316 PolarHBondContact O-N 3.36Å; E313-S316 PolarHBondContact O-OG 3.45Å; V314-S316 PolarHBondContact O-N 3Å; V314-S316 VanDerWaalsContact O-N 3.15Å | ||
| 317 | H | 79 | Confident | 89.7 | Confident | 159 Ų | 159 | 52.2 Ų | 52.2 | 74% | 0.736 | 27% | 0.271 | S | S | * | . | trans | -144.7 | 169.8 | -179.5 | -47 | 89.8 | 0 | 0 | 0 | 109.6 | G315 | G315-H317 VanDerWaalsContact C-CE1 3.42Å; G315-H317 PolarHBondContact O-CE1 2.79Å; G315-H317 PolarHBondContact O-ND1 3.14Å | ||
| 318 | G | 81.4 | Confident | 89.5 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 54% | 0.536 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 103.2 | -159.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D320 T321 | G318-D320 VanDerWaalsContact C-N 3.34Å; G318-D320 PolarHBondContact O-N 3.23Å; G318-T321 PolarHBondContact O-N 3.23Å; G318-T321 PolarHBondContact O-OG1 3.1Å |
| 319 | R | 78.6 | Confident | 89.5 | Confident | 185 Ų | 185 | 58.2 Ų | 58.2 | 70% | 0.698 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -67.5 | -34.8 | -170.3 | -74.1 | -171.7 | -79.3 | -170.7 | -4.6 | 113.1 | T321 R322 | R319-T321 PolarHBondContact O-N 2.9Å; R319-R322 PolarHBondContact O-N 3.45Å |
| 320 | D | 85.4 | Confident | 89.5 | Confident | 39 Ų | 39 | 59.1 Ų | 59.1 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -69.5 | -13.3 | -176.8 | -72.1 | 10.6 | 0 | 0 | 0 | 112.6 | G318 R322 F325 R326 R399 | G318-D320 VanDerWaalsContact C-N 3.34Å; G318-D320 PolarHBondContact O-N 3.23Å; D320-R322 VanDerWaalsContact C-N 3.33Å; D320-F325 HydrophobicContact CB-CD1 3.69Å; D320-F325 HydrophobicContact CB-CE1 3.99Å; D320-R326 WeakPolarHBondContact O-CB 3.43Å; D320-R326 PolarHBondContact O-N 3.48Å; D320-R399 IonicContact OD1-CZ 3.57Å; D320-R399 IonicContact OD1-NE 3.58Å; D320-R399 PolarHBondContact OD1-NE 2.76Å; D320-R399 IonicContact OD1-NH2 3.5Å; D320-R399 IonicContact OD2-NE 2.8Å; D320-R399 PolarHBondContact OD2-NE 2.94Å |
| 321 | T | 86.7 | Confident | 89.6 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -88.6 | 3.8 | 176.8 | 73.8 | 0 | 0 | 0 | 0 | 113.5 | R193 G318 R319 | R193-T321 VanDerWaalsContact NH2-CG2 3.3Å; G318-T321 PolarHBondContact O-N 3.23Å; G318-T321 PolarHBondContact O-OG1 3.1Å; R319-T321 PolarHBondContact O-N 2.9Å |
| 322 | R | 90.6 | Very high | 89.8 | Confident | 139 Ų | 139 | 56.4 Ų | 56.4 | 53% | 0.525 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -95 | 151.3 | 176.4 | -65.3 | 176.9 | 64.5 | -171.3 | -5.1 | 110.3 | V172 R319 D320 I324 | V172-R322 HydrophobicContact CG1-CB 4.03Å; V172-R322 HydrophobicContact CG2-CB 3.68Å; R319-R322 PolarHBondContact O-N 3.45Å; D320-R322 VanDerWaalsContact C-N 3.33Å; R322-I324 PolarHBondContact O-N 3.07Å |
| 323 | G | 94.8 | Very high | 90.2 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | -130.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 324 | I | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 4.8 | -177 | 63.8 | 178.8 | 0 | 0 | 0 | 113.9 | V175 F181 Y195 L197 R322 R326 T443 I446 C447 | V175-I324 HydrophobicContact CG1-CD1 4.05Å; V175-I324 HydrophobicContact CG1-CG1 4.26Å; F181-I324 HydrophobicContact CD2-CG2 3.29Å; F181-I324 HydrophobicContact CE2-CG2 3.43Å; F181-I324 VanDerWaalsContact CE2-CG2 3.43Å; F181-I324 HydrophobicContact CG-CG2 4.33Å; Y195-I324 HydrophobicContact CD2-CG2 3.71Å; Y195-I324 HydrophobicContact CE2-CG2 3.95Å; Y195-I324 HydrophobicContact CG-CG2 4.22Å; L197-I324 HydrophobicContact CD1-CD1 4.23Å; R322-I324 PolarHBondContact O-N 3.07Å; I324-R326 PolarHBondContact O-N 3.37Å; I324-T443 HydrophobicContact CB-CG2 4.44Å; I324-T443 WeakPolarHBondContact O-CB 3.47Å; I324-T443 PolarHBondContact O-OG1 3.02Å; I324-I446 HydrophobicContact CD1-CB 4.3Å; I324-I446 HydrophobicContact CD1-CG2 3.87Å; I324-C447 VanDerWaalsContact CG1-SG 3.51Å |
| 325 | F | 96.8 | Very high | 91.6 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -66.4 | -38.2 | -173.2 | -175.2 | -94.8 | 0 | 0 | 0 | 113.1 | H171 D320 F392 R399 R444 C447 | H171-F325 WeakPolarHBondContact NE2-CB 3.27Å; D320-F325 HydrophobicContact CB-CD1 3.69Å; D320-F325 HydrophobicContact CB-CE1 3.99Å; F325-F392 HydrophobicContact CD2-CE1 4.1Å; F325-F392 HydrophobicContact CD2-CZ 4.1Å; F325-F392 AromaticContact CE2-CE1 3.99Å; F325-F392 HydrophobicContact CE2-CE1 3.99Å; F325-F392 HydrophobicContact CE2-CE2 4.14Å; F325-F392 AromaticContact CE2-CZ 3.57Å; F325-F392 HydrophobicContact CE2-CZ 3.57Å; F325-R399 HydrophobicContact CE1-CG 4.45Å; F325-R399 HydrophobicContact CE2-CB 4.11Å; F325-R399 HydrophobicContact CE2-CG 4.34Å; F325-R399 HydrophobicContact CZ-CB 3.59Å; F325-R399 HydrophobicContact CZ-CG 3.84Å; F325-R444 HydrophobicContact CD2-CB 4.45Å; F325-R444 HydrophobicContact CD2-CG 4.18Å; F325-R444 HydrophobicContact CE2-CB 4.19Å; F325-R444 HydrophobicContact CE2-CG 3.99Å; F325-R444 HydrophobicContact CZ-CG 4.41Å; F325-C447 HydrophobicContact CD2-CB 4.15Å |
| 326 | R | 95.5 | Very high | 92.5 | Very high | 76 Ų | 76 | 44.8 Ų | 44.8 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -134.1 | 108.2 | 173.5 | -172.2 | 171.4 | -76.5 | -159 | 0.3 | 110.4 | E313 D320 I324 | E313-R326 HydrophobicContact CG-CG 4.46Å; E313-R326 WeakPolarHBondContact OE2-CD 3.45Å; E313-R326 WeakPolarHBondContact OE2-CG 3.31Å; E313-R326 IonicContact OE2-NE 3.22Å; D320-R326 WeakPolarHBondContact O-CB 3.43Å; D320-R326 PolarHBondContact O-N 3.48Å; I324-R326 PolarHBondContact O-N 3.37Å |
| 327 | V | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | trans | -136.2 | 160.8 | -173.8 | -70.4 | 0 | 0 | 0 | 0 | 110.3 | Y195 Q329 F330 T443 | Y195-V327 HydrophobicContact CD1-CB 4.14Å; Y195-V327 HydrophobicContact CD1-CG1 3.84Å; Y195-V327 HydrophobicContact CE1-CB 3.81Å; Y195-V327 HydrophobicContact CE1-CG1 3.89Å; Y195-V327 HydrophobicContact CE1-CG2 3.76Å; V327-Q329 WeakPolarHBondContact CG2-O 3.4Å; V327-F330 HydrophobicContact CG2-CB 4.03Å; V327-F330 HydrophobicContact CG2-CD1 4.5Å; V327-T443 HydrophobicContact CG2-CG2 4.41Å | ||
| 328 | H | 95.4 | Very high | 94.5 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 21% | 0.213 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -73.7 | -27.1 | -177.8 | -64.7 | -62 | 0 | 0 | 0 | 114.2 | G192 Y249 F310 R311 Q312 | G192-H328 PolarHBondContact O-CD2 3.45Å; G192-H328 PolarHBondContact O-NE2 3.1Å; Y249-H328 HydrophobicContact CE2-CB 4.4Å; Y249-H328 WeakPolarHBondContact OH-CB 3.45Å; Y249-H328 VanDerWaalsContact OH-CG 3.25Å; Y249-H328 PolarHBondContact OH-ND1 2.87Å; Y249-H328 VanDerWaalsContact OH-ND1 3.15Å; F310-H328 CarbonylContact C-O 3.53Å; F310-H328 VanDerWaalsContact CA-O 3.23Å; F310-H328 WeakPolarHBondContact CA-O 3.43Å; R311-H328 PolarHBondContact N-O 3.23Å; R311-H328 WeakPolarHBondContact O-CA 3.26Å; R311-H328 PolarHBondContact O-ND1 3.38Å; Q312-H328 PolarHBondContact O-CE1 2.81Å; Q312-H328 PolarHBondContact O-ND1 3.39Å |
| 329 | Q | 97.4 | Very high | 95.3 | Very high | 99 Ų | 99 | 34 Ų | 34 | 46% | 0.463 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.2 | -179.7 | 179.6 | -172.9 | -30 | 0 | 0 | 108.4 | Y195 T308 C309 F310 V327 | Y195-Q329 WeakPolarHBondContact CE1-O 3.35Å; Y195-Q329 PolarHBondContact OH-O 2.85Å; Y195-Q329 VanDerWaalsContact OH-O 3.13Å; T308-Q329 HydrophobicContact CG2-CG 3.46Å; T308-Q329 VanDerWaalsContact CG2-CG 3.46Å; C309-Q329 WeakPolarHBondContact O-CA 3.23Å; F310-Q329 HydrophobicContact CD1-CB 4.3Å; F310-Q329 HydrophobicContact CD1-CG 4.23Å; F310-Q329 HydrophobicContact CE1-CB 4.32Å; F310-Q329 HydrophobicContact CE1-CG 3.82Å; F310-Q329 HydrophobicContact CZ-CG 4.44Å; V327-Q329 WeakPolarHBondContact CG2-O 3.4Å |
| 330 | F | 98.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 157.8 | 178.2 | 57 | -85.6 | 0 | 0 | 0 | 111.4 | C309 R311 V327 K332 T443 | C309-F330 HydrophobicContact CB-CD1 4.48Å; C309-F330 HydrophobicContact CB-CD2 4.05Å; C309-F330 HydrophobicContact CB-CE1 4.06Å; C309-F330 HydrophobicContact CB-CE2 3.58Å; C309-F330 HydrophobicContact CB-CG 4.48Å; C309-F330 HydrophobicContact CB-CZ 3.58Å; C309-F330 PolarHBondContact N-O 2.89Å; C309-F330 PolarHBondContact O-N 3.49Å; C309-F330 VanDerWaalsContact O-N 3.12Å; R311-F330 HydrophobicContact CG-CE1 4.16Å; R311-F330 HydrophobicContact CG-CZ 4.45Å; V327-F330 HydrophobicContact CG2-CB 4.03Å; V327-F330 HydrophobicContact CG2-CD1 4.5Å; F330-K332 HydrophobicContact CD2-CB 4.47Å; F330-K332 HydrophobicContact CE2-CB 4.32Å; F330-K332 HydrophobicContact CE2-CD 4.4Å; F330-T443 HydrophobicContact CB-CG2 3.97Å |
| 331 | E | 98.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 142.9 | 174.9 | -57.9 | -55.7 | 138.9 | 0 | 0 | 111.6 | I209 S307 T308 T442 | I209-E331 HydrophobicContact CD1-CB 4.11Å; I209-E331 HydrophobicContact CD1-CG 4.41Å; S307-E331 VanDerWaalsContact C-OE2 3.28Å; T308-E331 WeakPolarHBondContact CA-OE2 3.22Å; T308-E331 WeakPolarHBondContact CB-OE1 3.35Å; T308-E331 WeakPolarHBondContact CG2-OE1 3.18Å; T308-E331 PolarHBondContact N-OE2 3.37Å; T308-E331 VanDerWaalsContact N-OE2 3.15Å; T308-E331 VanDerWaalsContact OG1-CD 3.3Å; T308-E331 PolarHBondContact OG1-OE1 3.36Å; T308-E331 PolarHBondContact OG1-OE2 2.9Å; E331-T442 HydrophobicContact CB-CG2 3.84Å; E331-T442 WeakPolarHBondContact CB-OG1 3.18Å; E331-T442 PolarHBondContact O-N 2.89Å; E331-T442 PolarHBondContact O-OG1 3.24Å |
| 332 | K | 98.7 | Very high | 97.2 | Very high | 14 Ų | 14 | 27 Ų | 27 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.9 | -178.9 | -167.3 | 179.7 | -175 | -175.7 | 0 | 111.5 | S307 F330 E334 T438 C440 | S307-K332 PolarHBondContact N-O 2.91Å; S307-K332 VanDerWaalsContact N-O 3.13Å; S307-K332 PolarHBondContact O-N 3.17Å; F330-K332 HydrophobicContact CD2-CB 4.47Å; F330-K332 HydrophobicContact CE2-CB 4.32Å; F330-K332 HydrophobicContact CE2-CD 4.4Å; K332-E334 WeakPolarHBondContact CE-OE2 3.44Å; K332-E334 IonicContact NZ-OE1 2.84Å; K332-E334 IonicContact NZ-OE2 3.76Å; K332-E334 PolarHBondContact NZ-OE2 3.45Å; K332-T438 VanDerWaalsContact CE-CG2 3.43Å; K332-T438 WeakPolarHBondContact CE-OG1 3.39Å; K332-T438 HydrophobicContact CG-CG2 4.43Å; K332-T438 PolarHBondContact NZ-OG1 3.34Å; K332-C440 WeakPolarHBondContact CA-O 3.4Å; K332-C440 WeakPolarHBondContact CG-O 3.41Å |
| 333 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.4 | 162.1 | -176 | 0 | 0 | 0 | 0 | 108.2 | I209 A212 L213 L216 G305 M439 C440 | I209-V333 HydrophobicContact CG2-CG2 4.25Å; A212-V333 HydrophobicContact CB-CB 4.22Å; A212-V333 HydrophobicContact CB-CG1 4.25Å; A212-V333 HydrophobicContact CB-CG2 4.14Å; L213-V333 HydrophobicContact CD2-CG1 3.99Å; L216-V333 HydrophobicContact CD1-CG1 3.89Å; G305-V333 CarbonylContact O-C 3.55Å; G305-V333 VanDerWaalsContact O-CA 3.32Å; G305-V333 WeakPolarHBondContact O-CA 3.35Å; V333-M439 HydrophobicContact CB-CB 4.15Å; V333-M439 HydrophobicContact CG1-CB 3.95Å; V333-M439 HydrophobicContact CG1-CG 4.41Å; V333-M439 WeakPolarHBondContact O-CB 3.47Å; V333-M439 PolarHBondContact O-N 3.33Å; V333-C440 PolarHBondContact N-O 3.2Å; V333-C440 PolarHBondContact O-N 3.09Å |
| 334 | E | 98.7 | Very high | 97.6 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.1 | -175.5 | -171.4 | 79.8 | -92.1 | 0 | 0 | 109.8 | T280 E282 A304 G305 K332 T438 | T280-E334 PolarHBondContact OG1-OE2 3.27Å; E282-E334 HydrophobicContact CB-CG 4.47Å; A304-E334 CarbonylContact C-O 3.54Å; A304-E334 WeakPolarHBondContact CA-O 2.9Å; G305-E334 PolarHBondContact N-O 2.99Å; G305-E334 PolarHBondContact O-N 2.83Å; K332-E334 WeakPolarHBondContact CE-OE2 3.44Å; K332-E334 IonicContact NZ-OE1 2.84Å; K332-E334 IonicContact NZ-OE2 3.76Å; K332-E334 PolarHBondContact NZ-OE2 3.45Å; E334-T438 WeakPolarHBondContact OE1-CA 3.48Å; E334-T438 PolarHBondContact OE1-N 3.43Å; E334-T438 PolarHBondContact OE1-OG1 2.83Å |
| 335 | Q | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.9 | 165.6 | -57.6 | 176.5 | 77.3 | 0 | 0 | 107.9 | L216 F221 Y303 M353 N356 N436 A437 M439 | L216-Q335 HydrophobicContact CD1-CG 4Å; L216-Q335 HydrophobicContact CD2-CG 3.73Å; F221-Q335 HydrophobicContact CE1-CB 3.86Å; F221-Q335 HydrophobicContact CE1-CG 4.12Å; F221-Q335 HydrophobicContact CZ-CG 4.5Å; Y303-Q335 WeakPolarHBondContact O-CA 3.16Å; Q335-M353 HydrophobicContact CB-CE 3.63Å; Q335-M353 PolarHBondContact NE2-O 3.05Å; Q335-M353 WeakPolarHBondContact O-CE 3.45Å; Q335-M353 PolarHBondContact OE1-O 3.06Å; Q335-N356 PolarHBondContact OE1-ND2 3.1Å; Q335-N436 CarbonylContact O-C 3.45Å; Q335-N436 VanDerWaalsContact O-CA 3.26Å; Q335-N436 WeakPolarHBondContact O-CA 3.48Å; Q335-A437 WeakPolarHBondContact CA-O 3.33Å; Q335-A437 HydrophobicContact CB-CB 4.21Å; Q335-A437 VanDerWaalsContact CB-O 3.27Å; Q335-A437 WeakPolarHBondContact CB-O 3.39Å; Q335-A437 PolarHBondContact N-O 2.88Å; Q335-A437 PolarHBondContact O-N 3.29Å; Q335-M439 HydrophobicContact CG-CB 4.23Å |
| 336 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.4 | 172.7 | -170.2 | -89.2 | 0 | 0 | 0 | 109.9 | E282 I285 A286 Y303 I338 M434 L435 N436 | E282-F336 HydrophobicContact CB-CD2 4.24Å; E282-F336 HydrophobicContact CG-CD2 3.67Å; E282-F336 HydrophobicContact CG-CE2 3.56Å; I285-F336 HydrophobicContact CB-CD1 4.32Å; I285-F336 HydrophobicContact CB-CG 4.3Å; I285-F336 HydrophobicContact CD1-CB 4.39Å; I285-F336 HydrophobicContact CG2-CB 3.95Å; I285-F336 HydrophobicContact CG2-CD1 3.35Å; I285-F336 HydrophobicContact CG2-CE1 3.93Å; I285-F336 HydrophobicContact CG2-CG 3.69Å; A286-F336 HydrophobicContact CB-CE2 4.08Å; A286-F336 HydrophobicContact CB-CZ 3.74Å; Y303-F336 HydrophobicContact CD2-CD1 4.48Å; Y303-F336 PolarHBondContact N-O 3.41Å; Y303-F336 PolarHBondContact O-N 3.14Å; F336-I338 HydrophobicContact CD1-CG1 4.23Å; F336-I338 HydrophobicContact CE1-CD1 4.13Å; F336-I338 HydrophobicContact CE1-CG1 3.71Å; F336-M434 HydrophobicContact CZ-CB 4.16Å; F336-M434 HydrophobicContact CZ-CG 4.21Å; F336-M434 HydrophobicContact CZ-SD 4.06Å; F336-L435 WeakPolarHBondContact CA-O 3.42Å; F336-N436 HydrophobicContact CD2-CB 4.11Å |
| 337 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.9 | -176.5 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | I301 T339 M349 M353 L435 | I301-C337 CarbonylContact O-C 3.56Å; I301-C337 VanDerWaalsContact O-CA 3.29Å; I301-C337 WeakPolarHBondContact O-CA 3.36Å; C337-T339 HydrophobicContact CB-CG2 4.33Å; C337-M349 HydrophobicContact CB-CG 3.65Å; C337-M349 HydrophobicContact CB-SD 4.19Å; C337-M349 VanDerWaalsContact SG-SD 3.62Å; C337-M353 HydrophobicContact CB-CE 4.31Å; C337-M353 HydrophobicContact CB-SD 3.75Å; C337-L435 HydrophobicContact CB-CB 4.43Å; C337-L435 PolarHBondContact N-O 3.31Å; C337-L435 PolarHBondContact O-N 2.67Å |
| 338 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.9 | 170.2 | -54.7 | 177 | 0 | 0 | 0 | 107.5 | H289 L294 L299 P300 I301 F336 V432 H433 M434 | H289-I338 HydrophobicContact CB-CD1 4.46Å; H289-I338 WeakPolarHBondContact CD2-CD1 3.29Å; L294-I338 HydrophobicContact CD1-CD1 4.24Å; L294-I338 HydrophobicContact CD1-CG2 3.75Å; L299-I338 HydrophobicContact CD2-CB 4.4Å; L299-I338 HydrophobicContact CD2-CG2 3.92Å; L299-I338 WeakPolarHBondContact CD2-O 3.46Å; P300-I338 CarbonylContact C-O 3.6Å; P300-I338 VanDerWaalsContact CA-O 3.28Å; P300-I338 WeakPolarHBondContact CA-O 3.39Å; I301-I338 HydrophobicContact CB-CB 4.31Å; I301-I338 PolarHBondContact N-O 2.81Å; I301-I338 PolarHBondContact O-N 2.9Å; F336-I338 HydrophobicContact CD1-CG1 4.23Å; F336-I338 HydrophobicContact CE1-CD1 4.13Å; F336-I338 HydrophobicContact CE1-CG1 3.71Å; I338-V432 HydrophobicContact CG2-CB 3.55Å; I338-V432 HydrophobicContact CG2-CG1 3.99Å; I338-V432 HydrophobicContact CG2-CG2 3.4Å; I338-V432 VanDerWaalsContact CG2-CG2 3.4Å; I338-H433 WeakPolarHBondContact CA-O 3.46Å; I338-M434 HydrophobicContact CD1-CE 4.16Å; I338-M434 HydrophobicContact CG1-CE 4.32Å; I338-M434 HydrophobicContact CG1-CG 4.49Å |
| 339 | T | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 163.7 | -169 | 62.9 | 0 | 0 | 0 | 0 | 112 | P300 C337 S346 M349 H433 L435 | P300-T339 HydrophobicContact CB-CG2 4.06Å; C337-T339 HydrophobicContact CB-CG2 4.33Å; T339-S346 WeakPolarHBondContact OG1-CA 3.47Å; T339-S346 WeakPolarHBondContact OG1-CB 3.42Å; T339-M349 HydrophobicContact CG2-CB 3.78Å; T339-M349 HydrophobicContact CG2-CG 3.77Å; T339-H433 PolarHBondContact N-O 3.42Å; T339-H433 PolarHBondContact O-N 2.91Å; T339-H433 WeakPolarHBondContact OG1-CB 3.06Å; T339-H433 PolarHBondContact OG1-O 3.02Å; T339-L435 HydrophobicContact CG2-CD1 3.76Å; T339-L435 WeakPolarHBondContact OG1-CD1 3.1Å |
| 340 | S | 98 | Very high | 98.3 | Very high | 11 Ų | 11 | 30.7 Ų | 30.7 | 8% | 0.077 | 16% | 0.155 | C | C | . | . | trans | -62.3 | 140.1 | 169 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | H342 | S340-H342 PolarHBondContact O-N 3.17Å; S340-H342 PolarHBondContact OG-N 3.11Å; S340-H342 VanDerWaalsContact OG-N 3.14Å | ||
| 341 | P | 96.9 | Very high | 98.3 | Very high | 32 Ų | 32 | 34 Ų | 34 | 21% | 0.208 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -74.9 | -5.1 | 171 | 33.6 | -35.9 | 0 | 0 | 0 | 113.1 | F419 H433 | P341-F419 HydrophobicContact CG-CB 4.48Å; P341-F419 HydrophobicContact CG-CD1 4.12Å; P341-F419 HydrophobicContact CG-CD2 4.37Å; P341-F419 HydrophobicContact CG-CE1 4.45Å; P341-F419 HydrophobicContact CG-CG 4.08Å; P341-H433 WeakPolarHBondContact CB-NE2 3.48Å |
| 342 | H | 97.1 | Very high | 98.3 | Very high | 68 Ų | 68 | 33.8 Ų | 33.8 | 32% | 0.315 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -104.8 | 167.1 | -175.6 | -55.7 | -57.6 | 0 | 0 | 0 | 113.3 | S340 N344 L345 F419 E430 | S340-H342 PolarHBondContact O-N 3.17Å; S340-H342 PolarHBondContact OG-N 3.11Å; S340-H342 VanDerWaalsContact OG-N 3.14Å; H342-N344 PolarHBondContact O-N 3.27Å; H342-N344 VanDerWaalsContact O-N 3.09Å; H342-L345 PolarHBondContact O-N 3.32Å; H342-F419 AromaticContact CD2-CE1 3.44Å; H342-F419 VanDerWaalsContact CD2-CE1 3.44Å; H342-F419 WeakPolarHBondContact CD2-CE1 3.41Å; H342-F419 AromaticContact CD2-CZ 3.7Å; H342-F419 AromaticContact NE2-CE1 3.45Å; H342-F419 WeakPolarHBondContact NE2-CE1 3.02Å; H342-E430 IonicContact CE1-OE1 2.87Å; H342-E430 PolarHBondContact CE1-OE1 3.38Å; H342-E430 IonicContact NE2-OE1 3.79Å; H342-E430 PolarHBondContact NE2-OE1 3.19Å |
| 343 | D | 96.4 | Very high | 98.3 | Very high | 134 Ų | 134 | 33.1 Ų | 33.1 | 72% | 0.717 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 29.2 | 168.1 | -50.2 | -44.4 | 0 | 0 | 0 | 114.5 | L345 | D343-L345 HydrophobicContact CB-CD1 4.41Å; D343-L345 HydrophobicContact CB-CG 4.19Å; D343-L345 PolarHBondContact O-N 3.02Å |
| 344 | N | 97 | Very high | 98.3 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 51% | 0.513 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 7.5 | -179.7 | -157.7 | 56.6 | 0 | 0 | 0 | 114.9 | H342 S346 W347 E348 | H342-N344 PolarHBondContact O-N 3.27Å; H342-N344 VanDerWaalsContact O-N 3.09Å; N344-S346 VanDerWaalsContact C-N 3.26Å; N344-S346 PolarHBondContact O-N 2.97Å; N344-S346 VanDerWaalsContact O-N 3.15Å; N344-W347 PolarHBondContact O-N 3.42Å; N344-E348 PolarHBondContact O-N 3.42Å; N344-E348 VanDerWaalsContact O-N 3.1Å |
| 345 | L | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 37% | 0.372 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.9 | -32.1 | -171 | -67.7 | 173.6 | 0 | 0 | 0 | 113.4 | H342 D343 W347 M349 | H342-L345 PolarHBondContact O-N 3.32Å; D343-L345 HydrophobicContact CB-CD1 4.41Å; D343-L345 HydrophobicContact CB-CG 4.19Å; D343-L345 PolarHBondContact O-N 3.02Å; L345-W347 VanDerWaalsContact C-N 3.33Å; L345-M349 WeakPolarHBondContact O-CB 3.43Å; L345-M349 PolarHBondContact O-N 2.92Å |
| 346 | S | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.5 | -33.6 | 174 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | T339 N344 M349 F350 N406 H433 L435 | T339-S346 WeakPolarHBondContact OG1-CA 3.47Å; T339-S346 WeakPolarHBondContact OG1-CB 3.42Å; N344-S346 VanDerWaalsContact C-N 3.26Å; N344-S346 PolarHBondContact O-N 2.97Å; N344-S346 VanDerWaalsContact O-N 3.15Å; S346-M349 PolarHBondContact O-N 3.36Å; S346-F350 PolarHBondContact O-N 3.47Å; S346-N406 PolarHBondContact OG-ND2 2.97Å; S346-H433 VanDerWaalsContact CB-ND1 3.33Å; S346-H433 WeakPolarHBondContact CB-ND1 3.21Å; S346-H433 PolarHBondContact OG-ND1 3.18Å; S346-L435 WeakPolarHBondContact O-CD2 3.31Å |
| 347 | W | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.3 | -36.6 | 179.6 | -67.6 | 115.1 | 0 | 0 | 0 | 111.9 | H142 N344 L345 M349 F350 D351 M384 N406 L408 | H142-W347 HydrophobicContact CB-CH2 3.77Å; H142-W347 HydrophobicContact CB-CZ2 4.11Å; H142-W347 AromaticContact CD2-CE2 3.6Å; H142-W347 AromaticContact CD2-CH2 3.53Å; H142-W347 AromaticContact CD2-CZ2 3.19Å; H142-W347 WeakPolarHBondContact CD2-CZ2 3.48Å; H142-W347 AromaticContact CG-CH2 3.73Å; H142-W347 AromaticContact CG-CZ2 3.86Å; N344-W347 PolarHBondContact O-N 3.42Å; L345-W347 VanDerWaalsContact C-N 3.33Å; W347-M349 VanDerWaalsContact C-N 3.26Å; W347-M349 PolarHBondContact O-N 3.48Å; W347-F350 HydrophobicContact CE3-CB 4.25Å; W347-F350 HydrophobicContact CE3-CD1 4.35Å; W347-F350 HydrophobicContact CE3-CG 4.31Å; W347-F350 HydrophobicContact CZ3-CG 4.48Å; W347-F350 WeakPolarHBondContact O-CB 3.46Å; W347-F350 PolarHBondContact O-N 3.03Å; W347-F350 VanDerWaalsContact O-N 3.14Å; W347-D351 PolarHBondContact O-N 3.36Å; W347-M384 HydrophobicContact CE3-CE 4.1Å; W347-M384 HydrophobicContact CH2-CB 4.01Å; W347-M384 HydrophobicContact CH2-CE 4.33Å; W347-M384 HydrophobicContact CZ3-CB 4.04Å; W347-M384 HydrophobicContact CZ3-CE 3.57Å; W347-N406 HydrophobicContact CE3-CB 4.13Å; W347-N406 VanDerWaalsContact CE3-ND2 3.3Å; W347-N406 HydrophobicContact CH2-CB 3.86Å; W347-N406 HydrophobicContact CZ3-CB 3.56Å; W347-N406 WeakPolarHBondContact CZ3-ND2 3.14Å; W347-L408 HydrophobicContact CZ2-CD2 3.85Å |
| 348 | E | 98.6 | Very high | 98.3 | Very high | 107 Ų | 107 | 36 Ų | 36 | 50% | 0.5 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 168.6 | -65.2 | -179.9 | -178.9 | 0 | 0 | 111.3 | N344 D351 H352 | N344-E348 PolarHBondContact O-N 3.42Å; N344-E348 VanDerWaalsContact O-N 3.1Å; E348-D351 PolarHBondContact O-N 3Å; E348-H352 WeakPolarHBondContact O-CB 3.32Å; E348-H352 PolarHBondContact O-N 3.37Å |
| 349 | M | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 37 Ų | 37 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -37.5 | 173.9 | -172.1 | 54.7 | 59.8 | 0 | 0 | 112.5 | P300 K302 C337 T339 L345 S346 W347 D351 H352 M353 | P300-M349 HydrophobicContact CB-CE 3.88Å; P300-M349 HydrophobicContact CG-CE 3.78Å; K302-M349 HydrophobicContact CD-CE 4.3Å; C337-M349 HydrophobicContact CB-CG 3.65Å; C337-M349 HydrophobicContact CB-SD 4.19Å; C337-M349 VanDerWaalsContact SG-SD 3.62Å; T339-M349 HydrophobicContact CG2-CB 3.78Å; T339-M349 HydrophobicContact CG2-CG 3.77Å; L345-M349 WeakPolarHBondContact O-CB 3.43Å; L345-M349 PolarHBondContact O-N 2.92Å; S346-M349 PolarHBondContact O-N 3.36Å; W347-M349 VanDerWaalsContact C-N 3.26Å; W347-M349 PolarHBondContact O-N 3.48Å; M349-D351 VanDerWaalsContact C-N 3.35Å; M349-H352 PolarHBondContact O-N 3.47Å; M349-H352 HydrophobicContact SD-CB 4.38Å; M349-H352 PolarHBondContact SD-ND1 3.47Å; M349-M353 HydrophobicContact CG-CG 4.19Å; M349-M353 HydrophobicContact CG-SD 3.92Å; M349-M353 WeakPolarHBondContact O-CB 3.45Å; M349-M353 VanDerWaalsContact O-CG 3.22Å; M349-M353 WeakPolarHBondContact O-CG 3.48Å; M349-M353 PolarHBondContact O-N 3.48Å; M349-M353 HydrophobicContact SD-CG 4.12Å |
| 350 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -47.6 | 174.5 | 177.9 | -99.2 | 0 | 0 | 0 | 111.1 | S346 W347 H352 M353 I354 M384 Y386 C404 N406 L435 | S346-F350 PolarHBondContact O-N 3.47Å; W347-F350 HydrophobicContact CE3-CB 4.25Å; W347-F350 HydrophobicContact CE3-CD1 4.35Å; W347-F350 HydrophobicContact CE3-CG 4.31Å; W347-F350 HydrophobicContact CZ3-CG 4.48Å; W347-F350 WeakPolarHBondContact O-CB 3.46Å; W347-F350 PolarHBondContact O-N 3.03Å; W347-F350 VanDerWaalsContact O-N 3.14Å; F350-H352 PolarHBondContact O-N 3.27Å; F350-M353 PolarHBondContact O-N 2.84Å; F350-I354 PolarHBondContact O-N 3.38Å; F350-I354 VanDerWaalsContact O-N 3.1Å; F350-M384 HydrophobicContact CD1-CE 4.27Å; F350-M384 HydrophobicContact CE1-CE 3.74Å; F350-M384 HydrophobicContact CZ-CE 4.25Å; F350-Y386 HydrophobicContact CE1-CD1 4.29Å; F350-Y386 AromaticContact CE1-CD2 3.53Å; F350-Y386 HydrophobicContact CE1-CD2 3.53Å; F350-Y386 HydrophobicContact CE1-CE1 4.41Å; F350-Y386 AromaticContact CE1-CE2 3.66Å; F350-Y386 HydrophobicContact CE1-CE2 3.66Å; F350-Y386 AromaticContact CE1-CG 3.87Å; F350-Y386 HydrophobicContact CE1-CG 3.87Å; F350-Y386 HydrophobicContact CZ-CD1 4.09Å; F350-Y386 AromaticContact CZ-CD2 3.82Å; F350-Y386 HydrophobicContact CZ-CD2 3.82Å; F350-Y386 HydrophobicContact CZ-CE2 4.34Å; F350-Y386 AromaticContact CZ-CG 3.68Å; F350-Y386 HydrophobicContact CZ-CG 3.68Å; F350-C404 HydrophobicContact CE2-CB 4.35Å; F350-C404 WeakPolarHBondContact CE2-O 3.38Å; F350-C404 VanDerWaalsContact CE2-SG 3.58Å; F350-N406 HydrophobicContact CB-CB 4.44Å; F350-N406 HydrophobicContact CD2-CB 3.83Å; F350-N406 HydrophobicContact CE2-CB 4.45Å; F350-N406 HydrophobicContact CG-CB 4.35Å; F350-L435 HydrophobicContact CB-CD2 3.73Å; F350-L435 HydrophobicContact CD2-CD2 4.38Å |
| 351 | D | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 36.5 Ų | 36.5 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.8 | -75.4 | -33.6 | 0 | 0 | 0 | 112.4 | W347 E348 M349 I354 S355 | W347-D351 PolarHBondContact O-N 3.36Å; E348-D351 PolarHBondContact O-N 3Å; M349-D351 VanDerWaalsContact C-N 3.35Å; D351-I354 VanDerWaalsContact O-CG2 3.28Å; D351-I354 WeakPolarHBondContact O-CG2 3.22Å; D351-S355 VanDerWaalsContact O-CB 3.3Å; D351-S355 WeakPolarHBondContact O-CB 3.07Å; D351-S355 PolarHBondContact O-N 3.39Å; D351-S355 PolarHBondContact O-OG 2.96Å |
| 352 | H | 98.6 | Very high | 98.4 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 15% | 0.148 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 175.3 | 175.7 | -126.4 | 0 | 0 | 0 | 112.7 | F221 E348 M349 F350 S355 N356 E508 | F221-H352 AromaticContact CE2-CE1 3.89Å; E348-H352 WeakPolarHBondContact O-CB 3.32Å; E348-H352 PolarHBondContact O-N 3.37Å; M349-H352 PolarHBondContact O-N 3.47Å; M349-H352 HydrophobicContact SD-CB 4.38Å; M349-H352 PolarHBondContact SD-ND1 3.47Å; F350-H352 PolarHBondContact O-N 3.27Å; H352-S355 WeakPolarHBondContact CA-OG 3.36Å; H352-S355 PolarHBondContact O-N 2.86Å; H352-S355 PolarHBondContact O-OG 2.99Å; H352-N356 PolarHBondContact O-N 2.65Å; H352-N356 VanDerWaalsContact O-N 3.09Å; H352-N356 PolarHBondContact O-ND2 2.81Å; H352-N356 PolarHBondContact O-OD1 3.49Å; H352-E508 IonicContact CD2-OE1 3.86Å |
| 353 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.2 | -41.6 | 179.2 | -72.1 | 171.3 | 79.1 | 0 | 0 | 112.3 | Q335 C337 M349 F350 S355 N356 A357 L435 A437 | Q335-M353 HydrophobicContact CB-CE 3.63Å; Q335-M353 PolarHBondContact NE2-O 3.05Å; Q335-M353 WeakPolarHBondContact O-CE 3.45Å; Q335-M353 PolarHBondContact OE1-O 3.06Å; C337-M353 HydrophobicContact CB-CE 4.31Å; C337-M353 HydrophobicContact CB-SD 3.75Å; M349-M353 HydrophobicContact CG-CG 4.19Å; M349-M353 HydrophobicContact CG-SD 3.92Å; M349-M353 WeakPolarHBondContact O-CB 3.45Å; M349-M353 VanDerWaalsContact O-CG 3.22Å; M349-M353 WeakPolarHBondContact O-CG 3.48Å; M349-M353 PolarHBondContact O-N 3.48Å; M349-M353 HydrophobicContact SD-CG 4.12Å; F350-M353 PolarHBondContact O-N 2.84Å; M353-S355 VanDerWaalsContact C-N 3.35Å; M353-N356 PolarHBondContact O-N 2.96Å; M353-A357 PolarHBondContact O-N 3.04Å; M353-L435 HydrophobicContact CE-CB 4.13Å; M353-L435 HydrophobicContact SD-CB 3.62Å; M353-L435 HydrophobicContact SD-CD2 4.41Å; M353-A437 HydrophobicContact CB-CB 3.92Å; M353-A437 HydrophobicContact CE-CB 3.73Å |
| 354 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.3 | -35 | 174.7 | -168.4 | 62.6 | 0 | 0 | 0 | 111.1 | F350 D351 N356 A357 E358 V370 Y386 L388 V402 C404 | F350-I354 PolarHBondContact O-N 3.38Å; F350-I354 VanDerWaalsContact O-N 3.1Å; D351-I354 VanDerWaalsContact O-CG2 3.28Å; D351-I354 WeakPolarHBondContact O-CG2 3.22Å; I354-N356 VanDerWaalsContact C-N 3.3Å; I354-N356 PolarHBondContact O-N 3.36Å; I354-A357 WeakPolarHBondContact O-CB 3.26Å; I354-A357 PolarHBondContact O-N 2.89Å; I354-E358 WeakPolarHBondContact O-CG 3.24Å; I354-E358 PolarHBondContact O-N 3.4Å; I354-V370 HydrophobicContact CG1-CG1 4.23Å; I354-Y386 HydrophobicContact CG1-CD2 4.49Å; I354-Y386 HydrophobicContact CG2-CD2 4.45Å; I354-L388 HydrophobicContact CD1-CB 4.43Å; I354-V402 HydrophobicContact CD1-CG1 4.36Å; I354-C404 HydrophobicContact CB-CB 4.34Å; I354-C404 HydrophobicContact CD1-CB 3.99Å |
| 355 | S | 98.7 | Very high | 98.6 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.3 | -32.3 | 176.4 | 77.1 | 0 | 0 | 0 | 0 | 112.7 | D351 H352 M353 E358 A359 | D351-S355 VanDerWaalsContact O-CB 3.3Å; D351-S355 WeakPolarHBondContact O-CB 3.07Å; D351-S355 PolarHBondContact O-N 3.39Å; D351-S355 PolarHBondContact O-OG 2.96Å; H352-S355 WeakPolarHBondContact CA-OG 3.36Å; H352-S355 PolarHBondContact O-N 2.86Å; H352-S355 PolarHBondContact O-OG 2.99Å; M353-S355 VanDerWaalsContact C-N 3.35Å; S355-E358 PolarHBondContact O-N 3.41Å; S355-A359 WeakPolarHBondContact O-CB 3.45Å; S355-A359 PolarHBondContact O-N 2.9Å |
| 356 | N | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 172.4 | -65.9 | -21.5 | 0 | 0 | 0 | 112.1 | L216 R219 F221 Q335 H352 M353 I354 A359 F360 M439 | L216-N356 HydrophobicContact CD2-CB 4.36Å; R219-N356 WeakPolarHBondContact CD-OD1 3.46Å; R219-N356 PolarHBondContact NE-OD1 2.89Å; R219-N356 VanDerWaalsContact NE-OD1 3.1Å; F221-N356 WeakPolarHBondContact CE2-ND2 3.31Å; Q335-N356 PolarHBondContact OE1-ND2 3.1Å; H352-N356 PolarHBondContact O-N 2.65Å; H352-N356 VanDerWaalsContact O-N 3.09Å; H352-N356 PolarHBondContact O-ND2 2.81Å; H352-N356 PolarHBondContact O-OD1 3.49Å; M353-N356 PolarHBondContact O-N 2.96Å; I354-N356 VanDerWaalsContact C-N 3.3Å; I354-N356 PolarHBondContact O-N 3.36Å; N356-A359 PolarHBondContact O-N 3.13Å; N356-F360 PolarHBondContact O-N 3.22Å; N356-M439 HydrophobicContact CB-SD 4.26Å |
| 357 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M353 I354 F360 H361 V402 | M353-A357 PolarHBondContact O-N 3.04Å; I354-A357 WeakPolarHBondContact O-CB 3.26Å; I354-A357 PolarHBondContact O-N 2.89Å; A357-F360 PolarHBondContact O-N 3.45Å; A357-H361 PolarHBondContact O-N 3.36Å; A357-H361 VanDerWaalsContact O-N 3.12Å; A357-H361 PolarHBondContact O-ND1 3.42Å; A357-V402 HydrophobicContact CB-CB 4.42Å; A357-V402 HydrophobicContact CB-CG1 3.9Å; A357-V402 HydrophobicContact CB-CG2 4.02Å |
| 358 | E | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 24.9 Ų | 24.9 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 173.6 | -75.5 | -177.9 | 88.7 | 0 | 0 | 111.2 | R158 I354 S355 F360 H361 Q362 Y368 V370 L388 | R158-E358 IonicContact CZ-OE1 3.25Å; R158-E358 IonicContact CZ-OE2 2.96Å; R158-E358 IonicContact NE-OE1 2.92Å; R158-E358 PolarHBondContact NE-OE1 3.33Å; R158-E358 IonicContact NE-OE2 3.73Å; R158-E358 PolarHBondContact NE-OE2 3.19Å; R158-E358 VanDerWaalsContact NE-OE2 3.12Å; R158-E358 IonicContact NH2-OE2 3.73Å; R158-E358 PolarHBondContact NH2-OE2 2.91Å; I354-E358 WeakPolarHBondContact O-CG 3.24Å; I354-E358 PolarHBondContact O-N 3.4Å; S355-E358 PolarHBondContact O-N 3.41Å; E358-F360 VanDerWaalsContact C-N 3.31Å; E358-F360 PolarHBondContact O-N 2.96Å; E358-H361 PolarHBondContact O-N 2.84Å; E358-Q362 WeakPolarHBondContact O-CB 3.47Å; E358-Q362 WeakPolarHBondContact O-CG 3.39Å; E358-Q362 PolarHBondContact O-N 3.2Å; E358-Y368 HydrophobicContact CB-CE2 4.47Å; E358-Y368 VanDerWaalsContact CB-OH 3.23Å; E358-Y368 WeakPolarHBondContact CB-OH 3.05Å; E358-Y368 HydrophobicContact CG-CE2 3.8Å; E358-Y368 WeakPolarHBondContact CG-OH 3.44Å; E358-Y368 PolarHBondContact OE1-OH 2.95Å; E358-V370 HydrophobicContact CG-CG2 4Å; E358-L388 HydrophobicContact CG-CD1 3.94Å |
| 359 | A | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | M215 S355 N356 Q362 A363 | M215-A359 HydrophobicContact CE-CB 3.92Å; S355-A359 WeakPolarHBondContact O-CB 3.45Å; S355-A359 PolarHBondContact O-N 2.9Å; N356-A359 PolarHBondContact O-N 3.13Å; A359-Q362 PolarHBondContact O-N 3.22Å; A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 3.3Å |
| 360 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -47.7 | 175.4 | 177.4 | -97 | 0 | 0 | 0 | 112.3 | I208 L211 A212 M215 N356 A357 E358 A363 L364 M439 C440 V445 | I208-F360 HydrophobicContact CG2-CZ 4.07Å; L211-F360 HydrophobicContact CB-CE2 4.22Å; L211-F360 HydrophobicContact CD2-CD2 4.18Å; L211-F360 HydrophobicContact CD2-CE2 3.75Å; L211-F360 HydrophobicContact CG-CD2 4.19Å; L211-F360 HydrophobicContact CG-CE2 3.85Å; A212-F360 HydrophobicContact CB-CD2 4.25Å; A212-F360 HydrophobicContact CB-CE2 3.81Å; A212-F360 HydrophobicContact CB-CZ 4.45Å; M215-F360 HydrophobicContact CE-CB 4.24Å; M215-F360 HydrophobicContact SD-CB 4.19Å; M215-F360 HydrophobicContact SD-CD2 3.84Å; N356-F360 PolarHBondContact O-N 3.22Å; A357-F360 PolarHBondContact O-N 3.45Å; E358-F360 VanDerWaalsContact C-N 3.31Å; E358-F360 PolarHBondContact O-N 2.96Å; F360-A363 PolarHBondContact O-N 2.88Å; F360-L364 HydrophobicContact CD1-CD1 4.02Å; F360-L364 HydrophobicContact CE1-CD1 3.42Å; F360-L364 VanDerWaalsContact CE1-CD1 3.42Å; F360-L364 HydrophobicContact CE2-CD1 4.39Å; F360-L364 HydrophobicContact CZ-CD1 3.64Å; F360-L364 WeakPolarHBondContact O-CG 3.49Å; F360-L364 PolarHBondContact O-N 3.19Å; F360-L364 VanDerWaalsContact O-N 3.12Å; F360-M439 HydrophobicContact CB-CE 3.62Å; F360-M439 HydrophobicContact CB-SD 4.27Å; F360-M439 HydrophobicContact CD2-CE 4.02Å; F360-M439 HydrophobicContact CG-CE 4.08Å; F360-C440 HydrophobicContact CE1-CB 3.84Å; F360-C440 HydrophobicContact CZ-CB 3.99Å; F360-V445 HydrophobicContact CE1-CG1 4.14Å; F360-V445 HydrophobicContact CE1-CG2 4.25Å; F360-V445 HydrophobicContact CZ-CG1 4.46Å |
| 361 | H | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70.5 | -33.2 | 179.1 | -68.4 | 81.6 | 0 | 0 | 0 | 112.1 | A357 E358 L364 K365 L366 Y368 L388 L401 | A357-H361 PolarHBondContact O-N 3.36Å; A357-H361 VanDerWaalsContact O-N 3.12Å; A357-H361 PolarHBondContact O-ND1 3.42Å; E358-H361 PolarHBondContact O-N 2.84Å; H361-L364 CarbonylContact O-C 3.18Å; H361-L364 PolarHBondContact O-N 2.93Å; H361-K365 PolarHBondContact O-N 2.95Å; H361-L366 PolarHBondContact O-N 2.76Å; H361-Y368 HydrophobicContact CB-CD1 3.82Å; H361-Y368 HydrophobicContact CB-CE1 3.95Å; H361-L388 HydrophobicContact CB-CD1 4.36Å; H361-L401 WeakPolarHBondContact NE2-CD1 3.44Å |
| 362 | Q | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 18.6 Ų | 18.6 | 29% | 0.29 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 172.2 | -70.7 | 170.4 | 5.7 | 0 | 0 | 111.9 | F160 E358 A359 L364 K365 Y368 | F160-Q362 HydrophobicContact CD1-CG 4.05Å; F160-Q362 HydrophobicContact CD2-CG 3.92Å; F160-Q362 HydrophobicContact CE1-CB 4.29Å; F160-Q362 HydrophobicContact CE1-CG 3.87Å; F160-Q362 HydrophobicContact CE2-CG 3.72Å; F160-Q362 HydrophobicContact CG-CG 4.08Å; F160-Q362 HydrophobicContact CZ-CB 4.1Å; F160-Q362 HydrophobicContact CZ-CG 3.7Å; E358-Q362 WeakPolarHBondContact O-CB 3.47Å; E358-Q362 WeakPolarHBondContact O-CG 3.39Å; E358-Q362 PolarHBondContact O-N 3.2Å; A359-Q362 PolarHBondContact O-N 3.22Å; Q362-L364 VanDerWaalsContact C-N 3.27Å; Q362-L364 PolarHBondContact O-N 3.43Å; Q362-K365 WeakPolarHBondContact O-CA 3.33Å; Q362-K365 PolarHBondContact O-N 3.15Å; Q362-Y368 HydrophobicContact CG-CE1 3.94Å; Q362-Y368 PolarHBondContact NE2-OH 3Å |
| 363 | A | 98.1 | Very high | 98.6 | Very high | 33 Ų | 33 | 17.5 Ų | 17.5 | 27% | 0.273 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -61.6 | -36.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A359 F360 K365 V464 | A359-A363 WeakPolarHBondContact O-CB 3.48Å; A359-A363 PolarHBondContact O-N 3.3Å; F360-A363 PolarHBondContact O-N 2.88Å; A363-K365 PolarHBondContact O-N 3.37Å; A363-V464 HydrophobicContact CB-CG1 4.28Å; A363-V464 HydrophobicContact CB-CG2 4.47Å; A363-V464 WeakPolarHBondContact O-CG2 3.42Å |
| 364 | L | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.8 | 170.8 | -66 | 173.8 | 0 | 0 | 0 | 113.9 | L211 F360 H361 Q362 L366 V445 I449 Y453 P462 V464 L465 | L211-L364 HydrophobicContact CD2-CD2 3.97Å; L211-L364 HydrophobicContact CD2-CG 4.31Å; F360-L364 HydrophobicContact CD1-CD1 4.02Å; F360-L364 HydrophobicContact CE1-CD1 3.42Å; F360-L364 VanDerWaalsContact CE1-CD1 3.42Å; F360-L364 HydrophobicContact CE2-CD1 4.39Å; F360-L364 HydrophobicContact CZ-CD1 3.64Å; F360-L364 WeakPolarHBondContact O-CG 3.49Å; F360-L364 PolarHBondContact O-N 3.19Å; F360-L364 VanDerWaalsContact O-N 3.12Å; H361-L364 CarbonylContact O-C 3.18Å; H361-L364 PolarHBondContact O-N 2.93Å; Q362-L364 VanDerWaalsContact C-N 3.27Å; Q362-L364 PolarHBondContact O-N 3.43Å; L364-L366 HydrophobicContact CB-CD1 3.97Å; L364-L366 HydrophobicContact CB-CG 3.9Å; L364-L366 HydrophobicContact CD1-CD1 4.01Å; L364-L366 PolarHBondContact O-N 3.15Å; L364-V445 HydrophobicContact CD1-CG1 3.7Å; L364-I449 HydrophobicContact CD1-CD1 4.38Å; L364-I449 HydrophobicContact CD2-CD1 4.18Å; L364-Y453 WeakPolarHBondContact O-CE2 3.48Å; L364-Y453 PolarHBondContact O-OH 3.35Å; L364-P462 HydrophobicContact CD2-CB 4.07Å; L364-P462 HydrophobicContact CD2-CG 4.3Å; L364-V464 HydrophobicContact CD2-CG2 3.81Å; L364-L465 HydrophobicContact CD2-CD1 3.71Å; L364-L465 HydrophobicContact CD2-CD2 4.15Å; L364-L465 HydrophobicContact CD2-CG 3.81Å |
| 365 | K | 97.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 17.5 Ų | 17.5 | 41% | 0.413 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.5 | -175.2 | -52.6 | 171.5 | 178.3 | 167.1 | 0 | 113.3 | H361 Q362 A363 D463 | H361-K365 PolarHBondContact O-N 2.95Å; Q362-K365 WeakPolarHBondContact O-CA 3.33Å; Q362-K365 PolarHBondContact O-N 3.15Å; A363-K365 PolarHBondContact O-N 3.37Å; K365-D463 IonicContact NZ-OD2 3.86Å; K365-D463 PolarHBondContact NZ-OD2 3.45Å |
| 366 | L | 98.2 | Very high | 98.5 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | trans | -85.9 | 127.4 | 176.3 | -66.4 | 174 | 0 | 0 | 0 | 109.6 | H361 L364 Y368 A448 I449 N452 Y453 | H361-L366 PolarHBondContact O-N 2.76Å; L364-L366 HydrophobicContact CB-CD1 3.97Å; L364-L366 HydrophobicContact CB-CG 3.9Å; L364-L366 HydrophobicContact CD1-CD1 4.01Å; L364-L366 PolarHBondContact O-N 3.15Å; L366-Y368 WeakPolarHBondContact O-CD1 3.34Å; L366-A448 HydrophobicContact CD1-CB 3.97Å; L366-A448 HydrophobicContact CD2-CB 4.24Å; L366-I449 HydrophobicContact CD1-CG1 4.28Å; L366-I449 HydrophobicContact CD2-CG1 4.39Å; L366-N452 HydrophobicContact CD2-CB 4Å; L366-Y453 HydrophobicContact CD2-CE2 4.33Å | ||
| 367 | P | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | trans | -67.9 | 141 | 172.7 | -14.4 | 27.9 | 0 | 0 | 0 | 110.9 | F160 K162 F165 G390 W391 T496 | F160-P367 CarbonylContact O-C 3.44Å; F160-P367 VanDerWaalsContact O-CA 3.23Å; F160-P367 WeakPolarHBondContact O-CA 3.47Å; K162-P367 WeakPolarHBondContact O-CB 3.48Å; K162-P367 WeakPolarHBondContact O-CG 3.19Å; F165-P367 HydrophobicContact CE1-CG 4.27Å; F165-P367 HydrophobicContact CZ-CG 4.49Å; P367-G390 WeakPolarHBondContact O-CA 3.19Å; P367-W391 HydrophobicContact CB-CB 3.9Å; P367-W391 HydrophobicContact CG-CB 4.4Å; P367-W391 PolarHBondContact O-N 2.89Å; P367-T496 HydrophobicContact CG-CG2 4.26Å | ||
| 368 | Y | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 170.5 | 179.5 | 66 | -97.7 | 0 | 0 | 0 | 112.3 | T159 F160 E358 H361 Q362 L366 V370 L388 E389 | T159-Y368 WeakPolarHBondContact CA-O 3.33Å; F160-Y368 HydrophobicContact CB-CD1 3.93Å; F160-Y368 HydrophobicContact CB-CD2 4.24Å; F160-Y368 HydrophobicContact CB-CE1 3.5Å; F160-Y368 HydrophobicContact CB-CE2 3.81Å; F160-Y368 HydrophobicContact CB-CG 4.27Å; F160-Y368 VanDerWaalsContact CB-CZ 3.42Å; F160-Y368 HydrophobicContact CD1-CD1 4.01Å; F160-Y368 AromaticContact CD1-CE1 3.64Å; F160-Y368 HydrophobicContact CD1-CE1 3.64Å; F160-Y368 HydrophobicContact CG-CD1 4.33Å; F160-Y368 AromaticContact CG-CE1 3.71Å; F160-Y368 HydrophobicContact CG-CE1 3.71Å; F160-Y368 AromaticContact CG-CZ 3.96Å; F160-Y368 PolarHBondContact N-O 3.19Å; F160-Y368 PolarHBondContact O-N 3.19Å; E358-Y368 HydrophobicContact CB-CE2 4.47Å; E358-Y368 VanDerWaalsContact CB-OH 3.23Å; E358-Y368 WeakPolarHBondContact CB-OH 3.05Å; E358-Y368 HydrophobicContact CG-CE2 3.8Å; E358-Y368 WeakPolarHBondContact CG-OH 3.44Å; E358-Y368 PolarHBondContact OE1-OH 2.95Å; H361-Y368 HydrophobicContact CB-CD1 3.82Å; H361-Y368 HydrophobicContact CB-CE1 3.95Å; Q362-Y368 HydrophobicContact CG-CE1 3.94Å; Q362-Y368 PolarHBondContact NE2-OH 3Å; L366-Y368 WeakPolarHBondContact O-CD1 3.34Å; Y368-V370 HydrophobicContact CD2-CG2 4.19Å; Y368-V370 HydrophobicContact CE2-CG2 3.96Å; Y368-L388 HydrophobicContact CD1-CD1 4.2Å; Y368-L388 HydrophobicContact CD1-CD2 4.39Å; Y368-L388 HydrophobicContact CD1-CG 4.48Å; Y368-L388 HydrophobicContact CD2-CD1 3.69Å; Y368-L388 HydrophobicContact CD2-CD2 4.2Å; Y368-L388 HydrophobicContact CD2-CG 3.59Å; Y368-L388 HydrophobicContact CE1-CD1 4.31Å; Y368-L388 HydrophobicContact CE2-CD1 3.86Å; Y368-L388 HydrophobicContact CE2-CG 4.24Å; Y368-L388 HydrophobicContact CG-CD1 3.9Å; Y368-L388 HydrophobicContact CG-CD2 3.82Å; Y368-L388 HydrophobicContact CG-CG 3.75Å; Y368-E389 CarbonylContact C-O 3.48Å; Y368-E389 WeakPolarHBondContact CA-O 3.33Å; Y368-E389 WeakPolarHBondContact CB-O 3.05Å |
| 369 | R | 98.6 | Very high | 98 | Very high | 75 Ų | 75 | 22 Ų | 22 | 28% | 0.283 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.3 | 161.3 | 64.6 | -177.2 | -175.1 | 170.6 | 5.9 | 110.2 | V156 R158 V371 L388 E389 F398 | V156-R369 HydrophobicContact CG1-CB 4.38Å; R158-R369 CarbonylContact O-C 3.58Å; R158-R369 VanDerWaalsContact O-CA 3.26Å; R158-R369 WeakPolarHBondContact O-CA 3.45Å; R158-R369 WeakPolarHBondContact O-CB 3.3Å; R369-V371 HydrophobicContact CG-CG1 4.06Å; R369-L388 WeakPolarHBondContact O-CA 3.48Å; R369-E389 HydrophobicContact CG-CB 4.19Å; R369-E389 IonicContact CZ-OE2 4Å; R369-E389 PolarHBondContact N-O 3.14Å; R369-E389 IonicContact NE-OE2 3.01Å; R369-E389 PolarHBondContact NE-OE2 3.19Å; R369-E389 IonicContact NH2-OE1 3.9Å; R369-E389 IonicContact NH2-OE2 3.91Å; R369-E389 PolarHBondContact NH2-OE2 2.84Å; R369-E389 PolarHBondContact O-N 3.46Å; R369-F398 HydrophobicContact CB-CE1 4.28Å; R369-F398 HydrophobicContact CB-CZ 4.4Å; R369-F398 HydrophobicContact CG-CD1 3.91Å; R369-F398 HydrophobicContact CG-CD2 4.34Å; R369-F398 HydrophobicContact CG-CE1 4.02Å; R369-F398 HydrophobicContact CG-CE2 4.44Å; R369-F398 HydrophobicContact CG-CG 4.06Å; R369-F398 HydrophobicContact CG-CZ 4.27Å |
| 370 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 126.7 | 168.1 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | I157 R158 I354 E358 Y368 Y386 D387 L388 | I157-V370 HydrophobicContact CB-CG1 4.44Å; I157-V370 PolarHBondContact N-O 3.47Å; R158-V370 HydrophobicContact CB-CB 4.24Å; R158-V370 HydrophobicContact CB-CG2 4.38Å; R158-V370 PolarHBondContact N-O 2.97Å; R158-V370 PolarHBondContact O-N 3.33Å; I354-V370 HydrophobicContact CG1-CG1 4.23Å; E358-V370 HydrophobicContact CG-CG2 4Å; Y368-V370 HydrophobicContact CD2-CG2 4.19Å; Y368-V370 HydrophobicContact CE2-CG2 3.96Å; V370-Y386 HydrophobicContact CG1-CD2 4.01Å; V370-Y386 HydrophobicContact CG1-CG 4.1Å; V370-D387 CarbonylContact C-O 3.49Å; V370-D387 WeakPolarHBondContact CA-O 3.29Å; V370-L388 HydrophobicContact CG2-CB 4.48Å |
| 371 | V | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 143 | 179.6 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | N154 L155 V156 R369 I373 Y386 D387 E389 | N154-V371 HydrophobicContact CB-CB 4.25Å; L155-V371 CarbonylContact O-C 3.53Å; L155-V371 VanDerWaalsContact O-CA 3.24Å; L155-V371 WeakPolarHBondContact O-CA 3.49Å; V156-V371 HydrophobicContact CG2-CG1 4.05Å; R369-V371 HydrophobicContact CG-CG1 4.06Å; V371-I373 HydrophobicContact CG2-CD1 3.98Å; V371-Y386 VanDerWaalsContact O-CA 3.27Å; V371-Y386 WeakPolarHBondContact O-CA 3.41Å; V371-D387 HydrophobicContact CG2-CB 3.97Å; V371-D387 PolarHBondContact N-O 3.5Å; V371-D387 PolarHBondContact O-N 2.88Å; V371-E389 HydrophobicContact CG2-CG 4.15Å |
| 372 | S | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.5 | 167.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | P146 N154 L155 | P146-S372 VanDerWaalsContact CD-OG 3.29Å; P146-S372 WeakPolarHBondContact CD-OG 3.43Å; N154-S372 WeakPolarHBondContact CA-O 3.47Å; L155-S372 PolarHBondContact N-O 3.38Å; L155-S372 VanDerWaalsContact N-O 3.08Å; L155-S372 PolarHBondContact O-N 3.23Å |
| 373 | I | 98.7 | Very high | 97.4 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 5% | 0.051 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -74.5 | 132.6 | -175.8 | -58.6 | -55.8 | 0 | 0 | 0 | 110.2 | N154 V371 E377 L378 K385 D387 | N154-I373 WeakPolarHBondContact ND2-CD1 3.48Å; N154-I373 WeakPolarHBondContact OD1-CA 3.49Å; V371-I373 HydrophobicContact CG2-CD1 3.98Å; I373-E377 HydrophobicContact CG2-CB 3.77Å; I373-L378 HydrophobicContact CB-CD2 4.06Å; I373-L378 HydrophobicContact CG2-CD2 3.99Å; I373-K385 HydrophobicContact CB-CB 4.25Å; I373-K385 HydrophobicContact CB-CD 4.49Å; I373-K385 HydrophobicContact CG1-CB 4.23Å; I373-K385 HydrophobicContact CG1-CD 3.93Å; I373-K385 HydrophobicContact CG1-CG 3.98Å; I373-K385 PolarHBondContact N-O 2.69Å; I373-K385 VanDerWaalsContact N-O 3.07Å; I373-D387 HydrophobicContact CD1-CB 4.01Å; I373-D387 HydrophobicContact CG1-CB 4.4Å |
| 374 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 150.3 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | P146 S148 D153 N154 G376 E377 | P146-V374 HydrophobicContact CB-CG1 4.28Å; P146-V374 HydrophobicContact CG-CG1 4.08Å; P146-V374 CarbonylContact O-C 3.51Å; P146-V374 VanDerWaalsContact O-CA 3.29Å; P146-V374 WeakPolarHBondContact O-CA 3.33Å; S148-V374 WeakPolarHBondContact O-CB 3.11Å; S148-V374 WeakPolarHBondContact O-CG2 3.29Å; D153-V374 VanDerWaalsContact C-CG1 3.48Å; D153-V374 HydrophobicContact CB-CG1 3.99Å; D153-V374 WeakPolarHBondContact O-CG1 3.48Å; N154-V374 WeakPolarHBondContact OD1-CG1 3.2Å; N154-V374 PolarHBondContact OD1-N 3.28Å; V374-G376 PolarHBondContact O-N 3.28Å; V374-G376 VanDerWaalsContact O-N 3.16Å; V374-E377 HydrophobicContact CG2-CB 4.18Å; V374-E377 HydrophobicContact CG2-CG 3.78Å; V374-E377 PolarHBondContact O-N 2.92Å; V374-E377 VanDerWaalsContact O-N 3.07Å |
| 375 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -58.5 | -30.6 | -173.5 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | K25 F27 P146 I147 S148 E377 | K25-S375 WeakPolarHBondContact O-CB 3.18Å; K25-S375 PolarHBondContact O-OG 3Å; F27-S375 WeakPolarHBondContact CE2-OG 3.48Å; P146-S375 PolarHBondContact O-N 2.87Å; I147-S375 WeakPolarHBondContact CA-OG 3.26Å; S148-S375 PolarHBondContact N-OG 2.93Å; S375-E377 VanDerWaalsContact C-N 3.29Å; S375-E377 PolarHBondContact O-N 3.06Å |
| 376 | G | 97.4 | Very high | 97.5 | Very high | 20 Ų | 20 | 15.7 Ų | 15.7 | 21% | 0.206 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -67.5 | -26.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S148 V374 | S148-G376 PolarHBondContact O-N 3.22Å; V374-G376 PolarHBondContact O-N 3.28Å; V374-G376 VanDerWaalsContact O-N 3.16Å |
| 377 | E | 96.5 | Very high | 97.5 | Very high | 81 Ų | 81 | 16.4 Ų | 16.4 | 38% | 0.379 | 8% | 0.082 | S | C | . | . | G | 310 helix | trans | -100.2 | -1.7 | -175.6 | -61.6 | -62 | 152.4 | 0 | 0 | 113.1 | E151 I373 V374 S375 N379 | E151-E377 HydrophobicContact CG-CG 3.54Å; I373-E377 HydrophobicContact CG2-CB 3.77Å; V374-E377 HydrophobicContact CG2-CB 4.18Å; V374-E377 HydrophobicContact CG2-CG 3.78Å; V374-E377 PolarHBondContact O-N 2.92Å; V374-E377 VanDerWaalsContact O-N 3.07Å; S375-E377 VanDerWaalsContact C-N 3.29Å; S375-E377 PolarHBondContact O-N 3.06Å; E377-N379 PolarHBondContact O-N 3.4Å |
| 378 | L | 96.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | trans | -74.8 | 128.2 | 173.9 | -66 | 178.8 | 0 | 0 | 0 | 110.7 | L141 V145 I373 A382 K385 | L141-L378 HydrophobicContact CD2-CD1 3.49Å; L141-L378 VanDerWaalsContact CD2-CD1 3.49Å; V145-L378 HydrophobicContact CG1-CD1 3.82Å; V145-L378 HydrophobicContact CG2-CD1 4.07Å; I373-L378 HydrophobicContact CB-CD2 4.06Å; I373-L378 HydrophobicContact CG2-CD2 3.99Å; L378-A382 HydrophobicContact CD2-CB 4.28Å; L378-K385 HydrophobicContact CD2-CB 3.47Å; L378-K385 VanDerWaalsContact CD2-CB 3.47Å | ||
| 379 | N | 92.7 | Very high | 97.6 | Very high | 52 Ų | 52 | 17.3 Ų | 17.3 | 28% | 0.278 | 9% | 0.086 | S | C | . | . | trans | -63.2 | 169.8 | 169.4 | 74.4 | 9.3 | 0 | 0 | 0 | 111.4 | R26 E377 A381 A382 | R26-N379 PolarHBondContact NH1-O 2.98Å; R26-N379 VanDerWaalsContact NH1-O 3.15Å; E377-N379 PolarHBondContact O-N 3.4Å; N379-A381 PolarHBondContact O-N 2.88Å; N379-A381 PolarHBondContact OD1-N 3.15Å; N379-A382 WeakPolarHBondContact OD1-CB 3.43Å; N379-A382 PolarHBondContact OD1-N 3.02Å | ||
| 380 | N | 93.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 3% | 0.032 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -59.3 | -31.6 | -177.9 | -64.7 | 0.3 | 0 | 0 | 0 | 113.4 | R28 N139 Y410 | R28-N380 PolarHBondContact NH1-OD1 3.19Å; R28-N380 PolarHBondContact NH2-OD1 2.95Å; N139-N380 VanDerWaalsContact CB-O 3.23Å; N139-N380 WeakPolarHBondContact CB-O 3.42Å; N139-N380 PolarHBondContact N-O 2.91Å; N380-Y410 HydrophobicContact CB-CE1 4.29Å |
| 381 | A | 94.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 14.8 Ų | 14.8 | 3% | 0.033 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -80.3 | -39.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 N139 N379 S383 C407 Y410 Q411 | M1-A381 HydrophobicContact SD-CB 3.91Å; N139-A381 WeakPolarHBondContact CB-O 3.34Å; N139-A381 PolarHBondContact ND2-O 3.09Å; N379-A381 PolarHBondContact O-N 2.88Å; N379-A381 PolarHBondContact OD1-N 3.15Å; A381-S383 PolarHBondContact O-N 2.8Å; A381-C407 HydrophobicContact CB-CB 4.49Å; A381-C407 WeakPolarHBondContact O-CA 3.36Å; A381-Y410 HydrophobicContact CB-CD1 3.9Å; A381-Y410 HydrophobicContact CB-CE1 4.24Å; A381-Q411 HydrophobicContact CB-CG 4.4Å |
| 382 | A | 96.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -70.8 | 127.2 | -173 | 0 | 0 | 0 | 0 | 0 | 111.7 | R26 L378 N379 | R26-A382 PolarHBondContact NH2-O 3.5Å; L378-A382 HydrophobicContact CD2-CB 4.28Å; N379-A382 WeakPolarHBondContact OD1-CB 3.43Å; N379-A382 PolarHBondContact OD1-N 3.02Å | ||
| 383 | S | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -77.7 | -38.6 | 165.5 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | L140 H142 V145 A381 N406 | L140-S383 VanDerWaalsContact O-CA 3.31Å; L140-S383 WeakPolarHBondContact O-CA 3.43Å; L140-S383 WeakPolarHBondContact O-CB 3.42Å; L140-S383 PolarHBondContact O-OG 3.38Å; H142-S383 PolarHBondContact N-O 3.37Å; H142-S383 PolarHBondContact N-OG 2.92Å; V145-S383 WeakPolarHBondContact CG2-O 3.35Å; A381-S383 PolarHBondContact O-N 2.8Å; S383-N406 WeakPolarHBondContact CB-O 3.46Å; S383-N406 PolarHBondContact N-O 2.76Å |
| 384 | M | 98.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 15.5 Ų | 15.5 | 3% | 0.034 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.9 | 170.7 | -176 | 162.9 | 66.2 | 0 | 0 | 109.3 | H142 D144 V145 W347 F350 Y386 S405 N406 | H142-M384 HydrophobicContact CB-CB 3.85Å; H142-M384 HydrophobicContact CB-SD 4.25Å; D144-M384 HydrophobicContact CB-SD 4.46Å; V145-M384 HydrophobicContact CG2-CB 3.9Å; V145-M384 HydrophobicContact CG2-CG 3.85Å; V145-M384 HydrophobicContact CG2-SD 4.28Å; W347-M384 HydrophobicContact CE3-CE 4.1Å; W347-M384 HydrophobicContact CH2-CB 4.01Å; W347-M384 HydrophobicContact CH2-CE 4.33Å; W347-M384 HydrophobicContact CZ3-CB 4.04Å; W347-M384 HydrophobicContact CZ3-CE 3.57Å; F350-M384 HydrophobicContact CD1-CE 4.27Å; F350-M384 HydrophobicContact CE1-CE 3.74Å; F350-M384 HydrophobicContact CZ-CE 4.25Å; M384-Y386 HydrophobicContact CE-CE1 4.3Å; M384-Y386 HydrophobicContact CG-CE1 4.35Å; M384-Y386 HydrophobicContact SD-CE1 3.99Å; M384-S405 WeakPolarHBondContact O-CA 3.33Å; M384-N406 PolarHBondContact O-N 3.21Å |
| 385 | K | 98.8 | Very high | 97.1 | Very high | 35 Ų | 35 | 17 Ų | 17 | 15% | 0.152 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134.9 | 175.4 | 179.8 | -175.5 | -71.8 | -170.4 | 0 | 111 | I373 L378 D387 S403 C404 S405 | I373-K385 HydrophobicContact CB-CB 4.25Å; I373-K385 HydrophobicContact CB-CD 4.49Å; I373-K385 HydrophobicContact CG1-CB 4.23Å; I373-K385 HydrophobicContact CG1-CD 3.93Å; I373-K385 HydrophobicContact CG1-CG 3.98Å; I373-K385 PolarHBondContact N-O 2.69Å; I373-K385 VanDerWaalsContact N-O 3.07Å; L378-K385 HydrophobicContact CD2-CB 3.47Å; L378-K385 VanDerWaalsContact CD2-CB 3.47Å; K385-D387 VanDerWaalsContact CD-OD1 3.31Å; K385-D387 WeakPolarHBondContact CD-OD1 3.24Å; K385-D387 WeakPolarHBondContact CG-OD1 3.3Å; K385-S403 WeakPolarHBondContact CD-OG 3.36Å; K385-S403 WeakPolarHBondContact CE-OG 3.39Å; K385-C404 CarbonylContact C-O 3.59Å; K385-C404 WeakPolarHBondContact CA-O 3.3Å; K385-C404 WeakPolarHBondContact CG-O 3.17Å; K385-S405 VanDerWaalsContact CE-OG 3.23Å; K385-S405 WeakPolarHBondContact CE-OG 3.41Å; K385-S405 WeakPolarHBondContact CG-OG 3.25Å |
| 386 | Y | 98.8 | Very high | 97 | Very high | 24 Ų | 24 | 18 Ų | 18 | 9% | 0.094 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | 165.6 | -75.2 | -4.4 | 0 | 0 | 0 | 110.1 | I157 F350 I354 V370 V371 M384 C404 | I157-Y386 HydrophobicContact CD1-CE1 4.43Å; I157-Y386 HydrophobicContact CG1-CE1 4.05Å; I157-Y386 HydrophobicContact CG2-CE2 4.41Å; F350-Y386 HydrophobicContact CE1-CD1 4.29Å; F350-Y386 AromaticContact CE1-CD2 3.53Å; F350-Y386 HydrophobicContact CE1-CD2 3.53Å; F350-Y386 HydrophobicContact CE1-CE1 4.41Å; F350-Y386 AromaticContact CE1-CE2 3.66Å; F350-Y386 HydrophobicContact CE1-CE2 3.66Å; F350-Y386 AromaticContact CE1-CG 3.87Å; F350-Y386 HydrophobicContact CE1-CG 3.87Å; F350-Y386 HydrophobicContact CZ-CD1 4.09Å; F350-Y386 AromaticContact CZ-CD2 3.82Å; F350-Y386 HydrophobicContact CZ-CD2 3.82Å; F350-Y386 HydrophobicContact CZ-CE2 4.34Å; F350-Y386 AromaticContact CZ-CG 3.68Å; F350-Y386 HydrophobicContact CZ-CG 3.68Å; I354-Y386 HydrophobicContact CG1-CD2 4.49Å; I354-Y386 HydrophobicContact CG2-CD2 4.45Å; V370-Y386 HydrophobicContact CG1-CD2 4.01Å; V370-Y386 HydrophobicContact CG1-CG 4.1Å; V371-Y386 VanDerWaalsContact O-CA 3.27Å; V371-Y386 WeakPolarHBondContact O-CA 3.41Å; M384-Y386 HydrophobicContact CE-CE1 4.3Å; M384-Y386 HydrophobicContact CG-CE1 4.35Å; M384-Y386 HydrophobicContact SD-CE1 3.99Å; Y386-C404 PolarHBondContact N-O 3.09Å; Y386-C404 PolarHBondContact O-N 3.27Å |
| 387 | D | 98.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 18.7 Ų | 18.7 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.6 | 171.2 | -71.5 | 2.2 | 0 | 0 | 0 | 109.8 | V370 V371 I373 K385 E389 E400 V402 S403 | V370-D387 CarbonylContact C-O 3.49Å; V370-D387 WeakPolarHBondContact CA-O 3.29Å; V371-D387 HydrophobicContact CG2-CB 3.97Å; V371-D387 PolarHBondContact N-O 3.5Å; V371-D387 PolarHBondContact O-N 2.88Å; I373-D387 HydrophobicContact CD1-CB 4.01Å; I373-D387 HydrophobicContact CG1-CB 4.4Å; K385-D387 VanDerWaalsContact CD-OD1 3.31Å; K385-D387 WeakPolarHBondContact CD-OD1 3.24Å; K385-D387 WeakPolarHBondContact CG-OD1 3.3Å; D387-E389 HydrophobicContact CB-CG 4.5Å; D387-E400 HydrophobicContact CB-CG 4.39Å; D387-V402 CarbonylContact C-O 3.56Å; D387-V402 WeakPolarHBondContact CA-O 3.32Å; D387-V402 WeakPolarHBondContact CB-O 3.29Å; D387-S403 VanDerWaalsContact OD1-CA 3.27Å; D387-S403 WeakPolarHBondContact OD1-CA 3.44Å; D387-S403 VanDerWaalsContact OD1-CB 3.24Å; D387-S403 WeakPolarHBondContact OD1-CB 3.36Å |
| 388 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118 | 164.4 | -177.6 | 162.5 | 0 | 0 | 0 | 107.4 | I354 E358 H361 Y368 R369 V370 L401 V402 | I354-L388 HydrophobicContact CD1-CB 4.43Å; E358-L388 HydrophobicContact CG-CD1 3.94Å; H361-L388 HydrophobicContact CB-CD1 4.36Å; Y368-L388 HydrophobicContact CD1-CD1 4.2Å; Y368-L388 HydrophobicContact CD1-CD2 4.39Å; Y368-L388 HydrophobicContact CD1-CG 4.48Å; Y368-L388 HydrophobicContact CD2-CD1 3.69Å; Y368-L388 HydrophobicContact CD2-CD2 4.2Å; Y368-L388 HydrophobicContact CD2-CG 3.59Å; Y368-L388 HydrophobicContact CE1-CD1 4.31Å; Y368-L388 HydrophobicContact CE2-CD1 3.86Å; Y368-L388 HydrophobicContact CE2-CG 4.24Å; Y368-L388 HydrophobicContact CG-CD1 3.9Å; Y368-L388 HydrophobicContact CG-CD2 3.82Å; Y368-L388 HydrophobicContact CG-CG 3.75Å; R369-L388 WeakPolarHBondContact O-CA 3.48Å; V370-L388 HydrophobicContact CG2-CB 4.48Å; L388-L401 HydrophobicContact CD2-CB 4.25Å; L388-L401 HydrophobicContact CD2-CD1 4.45Å; L388-L401 PolarHBondContact O-N 3.31Å; L388-V402 HydrophobicContact CB-CB 3.98Å; L388-V402 PolarHBondContact N-O 3.15Å; L388-V402 PolarHBondContact O-N 3.38Å; L388-V402 VanDerWaalsContact O-N 3.15Å |
| 389 | E | 98.7 | Very high | 97 | Very high | 23 Ų | 23 | 18.5 Ų | 18.5 | 11% | 0.107 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119 | 179.2 | -54.5 | 180 | 156 | 0 | 0 | 110 | Y368 R369 V371 D387 F398 R399 | Y368-E389 CarbonylContact C-O 3.48Å; Y368-E389 WeakPolarHBondContact CA-O 3.33Å; Y368-E389 WeakPolarHBondContact CB-O 3.05Å; R369-E389 HydrophobicContact CG-CB 4.19Å; R369-E389 IonicContact CZ-OE2 4Å; R369-E389 PolarHBondContact N-O 3.14Å; R369-E389 IonicContact NE-OE2 3.01Å; R369-E389 PolarHBondContact NE-OE2 3.19Å; R369-E389 IonicContact NH2-OE1 3.9Å; R369-E389 IonicContact NH2-OE2 3.91Å; R369-E389 PolarHBondContact NH2-OE2 2.84Å; R369-E389 PolarHBondContact O-N 3.46Å; V371-E389 HydrophobicContact CG2-CG 4.15Å; D387-E389 HydrophobicContact CB-CG 4.5Å; E389-F398 HydrophobicContact CB-CB 3.88Å; E389-F398 HydrophobicContact CB-CD1 4.4Å; E389-F398 VanDerWaalsContact O-CD1 3.26Å; E389-F398 WeakPolarHBondContact O-CD1 3.22Å; E389-R399 CarbonylContact C-O 3.57Å; E389-R399 WeakPolarHBondContact CA-O 3.5Å |
| 390 | G | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 150.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P367 F392 F398 R399 | P367-G390 WeakPolarHBondContact O-CA 3.19Å; G390-F392 VanDerWaalsContact O-CD2 3.29Å; G390-F392 WeakPolarHBondContact O-CD2 3.24Å; G390-F398 CarbonylContact O-C 3.54Å; G390-F398 VanDerWaalsContact O-CA 3.28Å; G390-F398 WeakPolarHBondContact O-CA 3.28Å; G390-R399 PolarHBondContact N-O 2.92Å; G390-R399 PolarHBondContact O-N 3.25Å |
| 391 | W | 98.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 18.8 Ų | 18.8 | 8% | 0.08 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.9 | 176.1 | -178.7 | -115.8 | 0 | 0 | 0 | 111.7 | S163 F165 P367 P393 G396 F398 N452 | S163-W391 VanDerWaalsContact O-CE2 3.31Å; S163-W391 WeakPolarHBondContact O-CH2 3.33Å; S163-W391 WeakPolarHBondContact O-CZ2 3.41Å; F165-W391 AromaticContact CE1-CD1 3.78Å; F165-W391 AromaticContact CE1-NE1 3.92Å; F165-W391 AromaticContact CZ-CD1 3.74Å; F165-W391 WeakPolarHBondContact O-CZ2 3.15Å; F165-W391 PolarHBondContact O-NE1 3.46Å; F165-W391 VanDerWaalsContact O-NE1 3.16Å; P367-W391 HydrophobicContact CB-CB 3.9Å; P367-W391 HydrophobicContact CG-CB 4.4Å; P367-W391 PolarHBondContact O-N 2.89Å; W391-P393 VanDerWaalsContact O-CD 3.29Å; W391-P393 WeakPolarHBondContact O-CD 3.44Å; W391-G396 VanDerWaalsContact CH2-CA 3.5Å; W391-G396 WeakPolarHBondContact CH2-O 3.33Å; W391-G396 VanDerWaalsContact CZ3-C 3.47Å; W391-F398 HydrophobicContact CB-CD1 4.28Å; W391-F398 HydrophobicContact CB-CE1 3.99Å; W391-F398 HydrophobicContact CE3-CD1 4.15Å; W391-F398 AromaticContact CE3-CD2 3.88Å; W391-F398 HydrophobicContact CE3-CD2 3.88Å; W391-F398 HydrophobicContact CE3-CE1 4.11Å; W391-F398 AromaticContact CE3-CE2 3.83Å; W391-F398 HydrophobicContact CE3-CE2 3.83Å; W391-F398 HydrophobicContact CE3-CG 4.06Å; W391-F398 AromaticContact CE3-CZ 3.97Å; W391-F398 HydrophobicContact CE3-CZ 3.97Å; W391-F398 HydrophobicContact CZ3-CD2 4.06Å; W391-F398 HydrophobicContact CZ3-CE2 4.07Å; W391-N452 PolarHBondContact O-ND2 3.03Å |
| 392 | F | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 91 | 176.6 | -76 | -100.3 | 0 | 0 | 0 | 110.3 | F325 G390 G394 S395 G396 A397 R399 L401 C447 A448 E451 | F325-F392 HydrophobicContact CD2-CE1 4.1Å; F325-F392 HydrophobicContact CD2-CZ 4.1Å; F325-F392 AromaticContact CE2-CE1 3.99Å; F325-F392 HydrophobicContact CE2-CE1 3.99Å; F325-F392 HydrophobicContact CE2-CE2 4.14Å; F325-F392 AromaticContact CE2-CZ 3.57Å; F325-F392 HydrophobicContact CE2-CZ 3.57Å; G390-F392 VanDerWaalsContact O-CD2 3.29Å; G390-F392 WeakPolarHBondContact O-CD2 3.24Å; F392-G394 PolarHBondContact O-N 3.35Å; F392-S395 PolarHBondContact O-N 2.83Å; F392-S395 VanDerWaalsContact O-N 3.13Å; F392-S395 PolarHBondContact O-OG 2.89Å; F392-G396 PolarHBondContact O-N 3.27Å; F392-A397 WeakPolarHBondContact CB-O 3.46Å; F392-A397 PolarHBondContact N-O 3.01Å; F392-A397 PolarHBondContact O-N 3.5Å; F392-R399 HydrophobicContact CD2-CB 3.76Å; F392-R399 HydrophobicContact CD2-CG 3.73Å; F392-R399 HydrophobicContact CE2-CB 3.68Å; F392-R399 HydrophobicContact CE2-CG 4.06Å; F392-R399 HydrophobicContact CG-CG 4.24Å; F392-L401 HydrophobicContact CE2-CD2 4.03Å; F392-L401 HydrophobicContact CZ-CD2 3.95Å; F392-C447 HydrophobicContact CE1-CB 3.72Å; F392-C447 HydrophobicContact CZ-CB 4.4Å; F392-A448 HydrophobicContact CE1-CB 4.22Å; F392-A448 HydrophobicContact CE2-CB 4.32Å; F392-A448 HydrophobicContact CZ-CB 3.8Å; F392-E451 VanDerWaalsContact C-OE2 3.23Å; F392-E451 WeakPolarHBondContact CA-OE2 3.43Å; F392-E451 WeakPolarHBondContact CB-OE2 3.29Å |
| 393 | P | 97.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -17.5 | -169.9 | 28 | -37.6 | 0 | 0 | 0 | 114.6 | F165 R166 K167 W391 E451 | F165-P393 HydrophobicContact CD2-CB 3.82Å; F165-P393 HydrophobicContact CE2-CB 3.49Å; F165-P393 VanDerWaalsContact CE2-CB 3.49Å; F165-P393 HydrophobicContact CE2-CG 3.79Å; F165-P393 HydrophobicContact CZ-CB 4.27Å; F165-P393 HydrophobicContact CZ-CG 4.41Å; R166-P393 WeakPolarHBondContact CA-O 3.32Å; R166-P393 WeakPolarHBondContact CD-O 3.49Å; K167-P393 HydrophobicContact CB-CB 3.98Å; K167-P393 HydrophobicContact CB-CG 4.01Å; K167-P393 HydrophobicContact CG-CB 3.69Å; K167-P393 HydrophobicContact CG-CG 3.64Å; K167-P393 PolarHBondContact N-O 3.39Å; W391-P393 VanDerWaalsContact O-CD 3.29Å; W391-P393 WeakPolarHBondContact O-CD 3.44Å; P393-E451 HydrophobicContact CG-CB 3.98Å |
| 394 | G | 95.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 19.1 Ų | 19.1 | 26% | 0.258 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -42.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F392 E451 | F392-G394 PolarHBondContact O-N 3.35Å; G394-E451 PolarHBondContact N-OE2 3.47Å |
| 395 | S | 94.4 | Very high | 97.7 | Very high | 31 Ų | 31 | 19 Ų | 19 | 22% | 0.217 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -22.3 | 175.6 | 73.2 | 0 | 0 | 0 | 0 | 113.8 | R166 F392 R399 | R166-S395 PolarHBondContact NH2-O 2.88Å; F392-S395 PolarHBondContact O-N 2.83Å; F392-S395 VanDerWaalsContact O-N 3.13Å; F392-S395 PolarHBondContact O-OG 2.89Å; S395-R399 PolarHBondContact OG-NH1 3.46Å; S395-R399 PolarHBondContact OG-NH2 2.97Å; S395-R399 VanDerWaalsContact OG-NH2 3.1Å |
| 396 | G | 96.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 17.3 Ų | 17.3 | 22% | 0.216 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 40.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W391 F392 | W391-G396 VanDerWaalsContact CH2-CA 3.5Å; W391-G396 WeakPolarHBondContact CH2-O 3.33Å; W391-G396 VanDerWaalsContact CZ3-C 3.47Å; F392-G396 PolarHBondContact O-N 3.27Å |
| 397 | A | 95.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 16.3 Ų | 16.3 | 29% | 0.289 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F392 R399 | F392-A397 WeakPolarHBondContact CB-O 3.46Å; F392-A397 PolarHBondContact N-O 3.01Å; F392-A397 PolarHBondContact O-N 3.5Å; A397-R399 PolarHBondContact O-NH1 2.94Å |
| 398 | F | 97.4 | Very high | 97.6 | Very high | 38 Ų | 38 | 16.8 Ų | 16.8 | 17% | 0.167 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 150.2 | 171.3 | -73.3 | -76.8 | 0 | 0 | 0 | 110.7 | R369 E389 G390 W391 | R369-F398 HydrophobicContact CB-CE1 4.28Å; R369-F398 HydrophobicContact CB-CZ 4.4Å; R369-F398 HydrophobicContact CG-CD1 3.91Å; R369-F398 HydrophobicContact CG-CD2 4.34Å; R369-F398 HydrophobicContact CG-CE1 4.02Å; R369-F398 HydrophobicContact CG-CE2 4.44Å; R369-F398 HydrophobicContact CG-CG 4.06Å; R369-F398 HydrophobicContact CG-CZ 4.27Å; E389-F398 HydrophobicContact CB-CB 3.88Å; E389-F398 HydrophobicContact CB-CD1 4.4Å; E389-F398 VanDerWaalsContact O-CD1 3.26Å; E389-F398 WeakPolarHBondContact O-CD1 3.22Å; G390-F398 CarbonylContact O-C 3.54Å; G390-F398 VanDerWaalsContact O-CA 3.28Å; G390-F398 WeakPolarHBondContact O-CA 3.28Å; W391-F398 HydrophobicContact CB-CD1 4.28Å; W391-F398 HydrophobicContact CB-CE1 3.99Å; W391-F398 HydrophobicContact CE3-CD1 4.15Å; W391-F398 AromaticContact CE3-CD2 3.88Å; W391-F398 HydrophobicContact CE3-CD2 3.88Å; W391-F398 HydrophobicContact CE3-CE1 4.11Å; W391-F398 AromaticContact CE3-CE2 3.83Å; W391-F398 HydrophobicContact CE3-CE2 3.83Å; W391-F398 HydrophobicContact CE3-CG 4.06Å; W391-F398 AromaticContact CE3-CZ 3.97Å; W391-F398 HydrophobicContact CE3-CZ 3.97Å; W391-F398 HydrophobicContact CZ3-CD2 4.06Å; W391-F398 HydrophobicContact CZ3-CE2 4.07Å |
| 399 | R | 96.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 18.1 Ų | 18.1 | 16% | 0.162 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.2 | 168.2 | -59.5 | -66.4 | -175.6 | -57 | -12 | 110.8 | D320 F325 E389 G390 F392 S395 A397 L401 | D320-R399 IonicContact OD1-CZ 3.57Å; D320-R399 IonicContact OD1-NE 3.58Å; D320-R399 PolarHBondContact OD1-NE 2.76Å; D320-R399 IonicContact OD1-NH2 3.5Å; D320-R399 IonicContact OD2-NE 2.8Å; D320-R399 PolarHBondContact OD2-NE 2.94Å; F325-R399 HydrophobicContact CE1-CG 4.45Å; F325-R399 HydrophobicContact CE2-CB 4.11Å; F325-R399 HydrophobicContact CE2-CG 4.34Å; F325-R399 HydrophobicContact CZ-CB 3.59Å; F325-R399 HydrophobicContact CZ-CG 3.84Å; E389-R399 CarbonylContact C-O 3.57Å; E389-R399 WeakPolarHBondContact CA-O 3.5Å; G390-R399 PolarHBondContact N-O 2.92Å; G390-R399 PolarHBondContact O-N 3.25Å; F392-R399 HydrophobicContact CD2-CB 3.76Å; F392-R399 HydrophobicContact CD2-CG 3.73Å; F392-R399 HydrophobicContact CE2-CB 3.68Å; F392-R399 HydrophobicContact CE2-CG 4.06Å; F392-R399 HydrophobicContact CG-CG 4.24Å; S395-R399 PolarHBondContact OG-NH1 3.46Å; S395-R399 PolarHBondContact OG-NH2 2.97Å; S395-R399 VanDerWaalsContact OG-NH2 3.1Å; A397-R399 PolarHBondContact O-NH1 2.94Å; R399-L401 PolarHBondContact O-N 2.84Å |
| 400 | E | 97.1 | Very high | 97.4 | Very high | 62 Ų | 62 | 17.1 Ų | 17.1 | 29% | 0.29 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 123.1 | 174 | -174.9 | -149.3 | 172.6 | 0 | 0 | 112.1 | D387 R444 | D387-E400 HydrophobicContact CB-CG 4.39Å; E400-R444 WeakPolarHBondContact O-CD 3.37Å; E400-R444 PolarHBondContact O-NH1 3.4Å; E400-R444 IonicContact OE2-CZ 2.75Å; E400-R444 IonicContact OE2-NH1 3.37Å; E400-R444 PolarHBondContact OE2-NH1 2.94Å; E400-R444 IonicContact OE2-NH2 3.69Å |
| 401 | L | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -28.5 | 168.2 | -64 | -176.5 | 0 | 0 | 0 | 111.8 | H361 L388 F392 R399 R444 A448 | H361-L401 WeakPolarHBondContact NE2-CD1 3.44Å; L388-L401 HydrophobicContact CD2-CB 4.25Å; L388-L401 HydrophobicContact CD2-CD1 4.45Å; L388-L401 PolarHBondContact O-N 3.31Å; F392-L401 HydrophobicContact CE2-CD2 4.03Å; F392-L401 HydrophobicContact CZ-CD2 3.95Å; R399-L401 PolarHBondContact O-N 2.84Å; L401-R444 HydrophobicContact CD2-CB 3.66Å; L401-A448 HydrophobicContact CD1-CB 4.18Å |
| 402 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.7 | -178.3 | 169.1 | 0 | 0 | 0 | 0 | 109.7 | I354 A357 D387 L388 T438 | I354-V402 HydrophobicContact CD1-CG1 4.36Å; A357-V402 HydrophobicContact CB-CB 4.42Å; A357-V402 HydrophobicContact CB-CG1 3.9Å; A357-V402 HydrophobicContact CB-CG2 4.02Å; D387-V402 CarbonylContact C-O 3.56Å; D387-V402 WeakPolarHBondContact CA-O 3.32Å; D387-V402 WeakPolarHBondContact CB-O 3.29Å; L388-V402 HydrophobicContact CB-CB 3.98Å; L388-V402 PolarHBondContact N-O 3.15Å; L388-V402 PolarHBondContact O-N 3.38Å; L388-V402 VanDerWaalsContact O-N 3.15Å; V402-T438 WeakPolarHBondContact CG1-O 3.42Å; V402-T438 HydrophobicContact CG2-CG2 4.39Å; V402-T438 WeakPolarHBondContact CG2-O 3.32Å |
| 403 | S | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129 | 162.9 | 151.9 | 0 | 0 | 0 | 0 | 108 | K385 D387 A437 T438 | K385-S403 WeakPolarHBondContact CD-OG 3.36Å; K385-S403 WeakPolarHBondContact CE-OG 3.39Å; D387-S403 VanDerWaalsContact OD1-CA 3.27Å; D387-S403 WeakPolarHBondContact OD1-CA 3.44Å; D387-S403 VanDerWaalsContact OD1-CB 3.24Å; D387-S403 WeakPolarHBondContact OD1-CB 3.36Å; S403-A437 WeakPolarHBondContact O-CA 3.21Å; S403-T438 PolarHBondContact O-N 3.28Å |
| 404 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 128.5 | 175.6 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | F350 I354 K385 Y386 N436 A437 | F350-C404 HydrophobicContact CE2-CB 4.35Å; F350-C404 WeakPolarHBondContact CE2-O 3.38Å; F350-C404 VanDerWaalsContact CE2-SG 3.58Å; I354-C404 HydrophobicContact CB-CB 4.34Å; I354-C404 HydrophobicContact CD1-CB 3.99Å; K385-C404 CarbonylContact C-O 3.59Å; K385-C404 WeakPolarHBondContact CA-O 3.3Å; K385-C404 WeakPolarHBondContact CG-O 3.17Å; Y386-C404 PolarHBondContact N-O 3.09Å; Y386-C404 PolarHBondContact O-N 3.27Å; C404-N436 CarbonylContact C-O 3.54Å; C404-N436 WeakPolarHBondContact CA-O 3.43Å; C404-A437 HydrophobicContact CB-CB 3.65Å; C404-A437 VanDerWaalsContact SG-CB 3.57Å |
| 405 | S | 98.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.6 | -176.1 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | M384 K385 L435 N436 | M384-S405 WeakPolarHBondContact O-CA 3.33Å; K385-S405 VanDerWaalsContact CE-OG 3.23Å; K385-S405 WeakPolarHBondContact CE-OG 3.41Å; K385-S405 WeakPolarHBondContact CG-OG 3.25Å; S405-L435 WeakPolarHBondContact O-CA 3.28Å; S405-N436 PolarHBondContact N-O 3.32Å; S405-N436 PolarHBondContact O-N 2.67Å |
| 406 | N | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117.5 | 162.8 | -171.7 | -14.8 | 0 | 0 | 0 | 108.2 | S346 W347 F350 S383 M384 L408 L435 | S346-N406 PolarHBondContact OG-ND2 2.97Å; W347-N406 HydrophobicContact CE3-CB 4.13Å; W347-N406 VanDerWaalsContact CE3-ND2 3.3Å; W347-N406 HydrophobicContact CH2-CB 3.86Å; W347-N406 HydrophobicContact CZ3-CB 3.56Å; W347-N406 WeakPolarHBondContact CZ3-ND2 3.14Å; F350-N406 HydrophobicContact CB-CB 4.44Å; F350-N406 HydrophobicContact CD2-CB 3.83Å; F350-N406 HydrophobicContact CE2-CB 4.45Å; F350-N406 HydrophobicContact CG-CB 4.35Å; S383-N406 WeakPolarHBondContact CB-O 3.46Å; S383-N406 PolarHBondContact N-O 2.76Å; M384-N406 PolarHBondContact O-N 3.21Å; N406-L408 PolarHBondContact OD1-N 3.37Å; N406-L435 HydrophobicContact CB-CD2 3.71Å; N406-L435 HydrophobicContact CB-CG 4.23Å |
| 407 | C | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.02 | 9% | 0.09 | C | C | . | . | trans | -100.6 | 5.9 | -178.3 | -62 | 0 | 0 | 0 | 0 | 112.5 | N139 A381 D409 Y410 Q411 M434 | N139-C407 PolarHBondContact ND2-O 2.82Å; A381-C407 HydrophobicContact CB-CB 4.49Å; A381-C407 WeakPolarHBondContact O-CA 3.36Å; C407-D409 PolarHBondContact O-N 2.85Å; C407-Y410 WeakPolarHBondContact O-CB 3.35Å; C407-Y410 PolarHBondContact O-N 2.87Å; C407-Y410 VanDerWaalsContact O-N 3.08Å; C407-Q411 HydrophobicContact CB-CG 4.18Å; C407-Q411 PolarHBondContact SG-OE1 3.08Å; C407-Q411 VanDerWaalsContact SG-OE1 3.4Å; C407-M434 WeakPolarHBondContact CB-O 3.32Å; C407-M434 PolarHBondContact N-O 3.38Å | ||
| 408 | L | 98.1 | Very high | 96.6 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 14% | 0.141 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | -139.4 | -174 | -54.5 | 176 | 0 | 0 | 0 | 109.9 | W347 N406 Y410 H433 M434 | W347-L408 HydrophobicContact CZ2-CD2 3.85Å; N406-L408 PolarHBondContact OD1-N 3.37Å; L408-Y410 VanDerWaalsContact C-N 3.3Å; L408-Y410 PolarHBondContact O-N 3.27Å; L408-H433 VanDerWaalsContact C-CD2 3.44Å; L408-H433 VanDerWaalsContact CD2-CE1 3.49Å; L408-H433 WeakPolarHBondContact CD2-CE1 3.48Å; L408-H433 CarbonylContact O-C 3.47Å; L408-H433 VanDerWaalsContact O-CA 3.24Å; L408-H433 WeakPolarHBondContact O-CA 3.43Å; L408-M434 PolarHBondContact O-N 3.37Å |
| 409 | D | 97.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 18.2 Ų | 18.2 | 16% | 0.155 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.4 | 177.4 | 66.1 | 15.8 | 0 | 0 | 0 | 115 | C407 Q411 S412 R413 H433 | C407-D409 PolarHBondContact O-N 2.85Å; D409-Q411 VanDerWaalsContact C-N 3.34Å; D409-Q411 PolarHBondContact O-N 2.71Å; D409-S412 VanDerWaalsContact CA-OG 3.3Å; D409-S412 WeakPolarHBondContact CA-OG 3.49Å; D409-S412 PolarHBondContact O-N 3.46Å; D409-S412 PolarHBondContact O-OG 3.3Å; D409-R413 VanDerWaalsContact O-CG 3.29Å; D409-R413 WeakPolarHBondContact O-CG 3.46Å; D409-R413 PolarHBondContact O-N 3.13Å; D409-R413 IonicContact OD1-CZ 2.97Å; D409-R413 IonicContact OD1-NE 3.64Å; D409-R413 PolarHBondContact OD1-NE 3.16Å; D409-R413 IonicContact OD1-NH2 3.37Å; D409-R413 IonicContact OD2-CZ 2.68Å; D409-R413 IonicContact OD2-NE 3Å; D409-R413 PolarHBondContact OD2-NE 2.94Å; D409-R413 IonicContact OD2-NH2 2.87Å; D409-R413 PolarHBondContact OD2-NH2 2.81Å; D409-H433 PolarHBondContact N-CD2 2.86Å |
| 410 | Y | 95.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | -171.1 | -169.8 | -96.3 | 0 | 0 | 0 | 111.8 | M1 V2 L3 I137 N139 N380 A381 C407 L408 | M1-Y410 VanDerWaalsContact C-CE1 3.46Å; M1-Y410 CarbonylContact C-O 3.56Å; M1-Y410 WeakPolarHBondContact CA-O 3.44Å; M1-Y410 HydrophobicContact CB-CD1 3.78Å; M1-Y410 HydrophobicContact CB-CE1 3.45Å; M1-Y410 VanDerWaalsContact CB-CE1 3.45Å; M1-Y410 HydrophobicContact CG-CD1 3.89Å; M1-Y410 HydrophobicContact CG-CE1 3.97Å; M1-Y410 PolarHBondContact N-O 2.64Å; M1-Y410 HydrophobicContact SD-CD1 4.3Å; M1-Y410 HydrophobicContact SD-CE1 4.22Å; V2-Y410 PolarHBondContact N-O 3.22Å; L3-Y410 HydrophobicContact CD2-CD2 4.17Å; L3-Y410 HydrophobicContact CD2-CE2 4.49Å; L3-Y410 HydrophobicContact CG-CD2 4.39Å; L3-Y410 HydrophobicContact CG-CE2 4.25Å; I137-Y410 PolarHBondContact O-OH 2.87Å; N139-Y410 HydrophobicContact CB-CD2 3.61Å; N139-Y410 HydrophobicContact CB-CE2 4.09Å; N139-Y410 HydrophobicContact CB-CG 3.96Å; N380-Y410 HydrophobicContact CB-CE1 4.29Å; A381-Y410 HydrophobicContact CB-CD1 3.9Å; A381-Y410 HydrophobicContact CB-CE1 4.24Å; C407-Y410 WeakPolarHBondContact O-CB 3.35Å; C407-Y410 PolarHBondContact O-N 2.87Å; C407-Y410 VanDerWaalsContact O-N 3.08Å; L408-Y410 VanDerWaalsContact C-N 3.3Å; L408-Y410 PolarHBondContact O-N 3.27Å |
| 411 | Q | 93.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.019 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -72.6 | -49.8 | 178.8 | -67.5 | 176.6 | -70.1 | 0 | 0 | 111.6 | M1 E282 A381 C407 D409 R413 R414 L415 M434 | M1-Q411 HydrophobicContact CG-CB 4.42Å; M1-Q411 HydrophobicContact CG-CG 3.91Å; M1-Q411 HydrophobicContact SD-CG 4.02Å; E282-Q411 PolarHBondContact OE1-NE2 3.38Å; A381-Q411 HydrophobicContact CB-CG 4.4Å; C407-Q411 HydrophobicContact CB-CG 4.18Å; C407-Q411 PolarHBondContact SG-OE1 3.08Å; C407-Q411 VanDerWaalsContact SG-OE1 3.4Å; D409-Q411 VanDerWaalsContact C-N 3.34Å; D409-Q411 PolarHBondContact O-N 2.71Å; Q411-R413 VanDerWaalsContact C-N 3.27Å; Q411-R413 PolarHBondContact O-N 3.49Å; Q411-R414 PolarHBondContact O-N 3.44Å; Q411-L415 PolarHBondContact O-N 2.95Å; Q411-M434 HydrophobicContact CB-CB 4.43Å; Q411-M434 HydrophobicContact CB-SD 3.94Å |
| 412 | S | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -31.3 | -175.3 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | D409 R414 L415 A416 I417 V432 | D409-S412 VanDerWaalsContact CA-OG 3.3Å; D409-S412 WeakPolarHBondContact CA-OG 3.49Å; D409-S412 PolarHBondContact O-N 3.46Å; D409-S412 PolarHBondContact O-OG 3.3Å; S412-R414 PolarHBondContact O-N 3.49Å; S412-L415 CarbonylContact O-C 3.48Å; S412-L415 PolarHBondContact O-N 3.08Å; S412-A416 WeakPolarHBondContact O-CA 3.39Å; S412-A416 PolarHBondContact O-N 2.87Å; S412-I417 PolarHBondContact O-N 2.86Å; S412-V432 WeakPolarHBondContact CB-O 3.47Å; S412-V432 PolarHBondContact OG-O 3.04Å |
| 413 | R | 94.3 | Very high | 94 | Very high | 44 Ų | 44 | 31.7 Ų | 31.7 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.1 | -43.4 | 175.4 | -78.2 | 172.5 | -176.8 | -78.3 | -2.5 | 114.2 | V2 D4 D409 Q411 A416 Y431 | V2-R413 HydrophobicContact CG2-CB 4.14Å; V2-R413 VanDerWaalsContact O-CD 3.32Å; V2-R413 WeakPolarHBondContact O-CD 3.47Å; D4-R413 IonicContact OD2-CZ 3.11Å; D4-R413 IonicContact OD2-NH1 3.96Å; D4-R413 PolarHBondContact OD2-NH1 3.38Å; D4-R413 IonicContact OD2-NH2 2.71Å; D4-R413 PolarHBondContact OD2-NH2 2.92Å; D409-R413 VanDerWaalsContact O-CG 3.29Å; D409-R413 WeakPolarHBondContact O-CG 3.46Å; D409-R413 PolarHBondContact O-N 3.13Å; D409-R413 IonicContact OD1-CZ 2.97Å; D409-R413 IonicContact OD1-NE 3.64Å; D409-R413 PolarHBondContact OD1-NE 3.16Å; D409-R413 IonicContact OD1-NH2 3.37Å; D409-R413 IonicContact OD2-CZ 2.68Å; D409-R413 IonicContact OD2-NE 3Å; D409-R413 PolarHBondContact OD2-NE 2.94Å; D409-R413 IonicContact OD2-NH2 2.87Å; D409-R413 PolarHBondContact OD2-NH2 2.81Å; Q411-R413 VanDerWaalsContact C-N 3.27Å; Q411-R413 PolarHBondContact O-N 3.49Å; R413-A416 PolarHBondContact O-N 3.46Å; R413-Y431 HydrophobicContact CG-CD1 4.13Å; R413-Y431 HydrophobicContact CG-CD2 3.68Å; R413-Y431 HydrophobicContact CG-CE1 4.45Å; R413-Y431 HydrophobicContact CG-CE2 4.01Å; R413-Y431 HydrophobicContact CG-CG 3.75Å |
| 414 | R | 90.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 23% | 0.234 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -80 | -29.6 | -179.3 | -175.4 | 172.1 | -171.7 | -177.6 | 5.3 | 112.4 | R236 A237 Q411 S412 | R236-R414 PolarHBondContact O-NE 3.44Å; R236-R414 PolarHBondContact O-NH1 3.45Å; R236-R414 PolarHBondContact O-NH2 2.87Å; A237-R414 HydrophobicContact CB-CG 4.41Å; A237-R414 WeakPolarHBondContact O-CD 3.33Å; Q411-R414 PolarHBondContact O-N 3.44Å; S412-R414 PolarHBondContact O-N 3.49Å |
| 415 | L | 94.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -81.6 | -2.2 | 173.1 | -67.8 | 165.9 | 0 | 0 | 0 | 112.5 | A237 V238 A286 A287 Q290 D291 Q411 S412 I417 | A237-L415 HydrophobicContact CB-CD2 3.58Å; A237-L415 HydrophobicContact CB-CG 4.46Å; V238-L415 HydrophobicContact CG1-CD1 3.7Å; V238-L415 HydrophobicContact CG1-CD2 3.7Å; V238-L415 HydrophobicContact CG1-CG 4.15Å; A286-L415 HydrophobicContact CB-CD1 3.73Å; A286-L415 VanDerWaalsContact O-CD1 3.26Å; A286-L415 WeakPolarHBondContact O-CD1 3.46Å; A287-L415 HydrophobicContact CB-CD2 4.34Å; Q290-L415 WeakPolarHBondContact CA-O 3.47Å; Q290-L415 HydrophobicContact CG-CD2 4.23Å; Q290-L415 WeakPolarHBondContact CG-O 3.44Å; D291-L415 PolarHBondContact N-O 3.41Å; Q411-L415 PolarHBondContact O-N 2.95Å; S412-L415 CarbonylContact O-C 3.48Å; S412-L415 PolarHBondContact O-N 3.08Å; L415-I417 VanDerWaalsContact C-N 3.27Å; L415-I417 HydrophobicContact CB-CD1 3.61Å; L415-I417 HydrophobicContact CB-CG1 3.61Å; L415-I417 HydrophobicContact CD1-CD1 4.15Å; L415-I417 HydrophobicContact CG-CD1 4.47Å; L415-I417 WeakPolarHBondContact O-CG1 3.35Å; L415-I417 PolarHBondContact O-N 3.14Å |
| 416 | A | 94.5 | Very high | 90.6 | Very high | 13 Ų | 13 | 54 Ų | 54 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 38.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D291 S412 R413 R418 | D291-A416 CarbonylContact C-O 3.52Å; D291-A416 WeakPolarHBondContact CA-O 3.49Å; D291-A416 WeakPolarHBondContact OD1-CB 3.37Å; S412-A416 WeakPolarHBondContact O-CA 3.39Å; S412-A416 PolarHBondContact O-N 2.87Å; R413-A416 PolarHBondContact O-N 3.46Å; A416-R418 PolarHBondContact O-NH1 3.32Å; A416-R418 VanDerWaalsContact O-NH1 3.08Å |
| 417 | I | 96.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -93.9 | 102.5 | -176.8 | -48.5 | -175.3 | 0 | 0 | 0 | 108.9 | A286 H289 L294 S412 L415 Y431 V432 M434 | A286-I417 VanDerWaalsContact O-CD1 3.22Å; A286-I417 WeakPolarHBondContact O-CD1 3.44Å; H289-I417 HydrophobicContact CB-CD1 3.82Å; H289-I417 HydrophobicContact CB-CG1 4.47Å; H289-I417 HydrophobicContact CB-CG2 4.08Å; H289-I417 VanDerWaalsContact O-CG1 3.28Å; H289-I417 WeakPolarHBondContact O-CG1 3.28Å; L294-I417 HydrophobicContact CD1-CG2 3.6Å; L294-I417 HydrophobicContact CG-CG2 4.03Å; S412-I417 PolarHBondContact O-N 2.86Å; L415-I417 VanDerWaalsContact C-N 3.27Å; L415-I417 HydrophobicContact CB-CD1 3.61Å; L415-I417 HydrophobicContact CB-CG1 3.61Å; L415-I417 HydrophobicContact CD1-CD1 4.15Å; L415-I417 HydrophobicContact CG-CD1 4.47Å; L415-I417 WeakPolarHBondContact O-CG1 3.35Å; L415-I417 PolarHBondContact O-N 3.14Å; I417-Y431 VanDerWaalsContact O-CD1 3.32Å; I417-Y431 WeakPolarHBondContact O-CD1 3.36Å; I417-V432 HydrophobicContact CB-CG2 4.12Å; I417-V432 HydrophobicContact CG2-CG2 3.67Å; I417-V432 PolarHBondContact O-N 3.38Å; I417-M434 HydrophobicContact CB-CE 3.89Å; I417-M434 HydrophobicContact CD1-CE 3.2Å; I417-M434 HydrophobicContact CD1-SD 4.49Å; I417-M434 HydrophobicContact CG1-CE 3.98Å; I417-M434 HydrophobicContact CG2-CE 4Å | ||
| 418 | R | 97 | Very high | 88.8 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 146.1 | -163.5 | -60.1 | 169 | -171.4 | 98.3 | -4.1 | 110.8 | D291 E292 W293 L294 A416 V429 E430 Y431 | D291-R418 PolarHBondContact O-NH1 3.17Å; D291-R418 VanDerWaalsContact O-NH1 3.08Å; E292-R418 PolarHBondContact O-N 2.89Å; W293-R418 HydrophobicContact CD2-CB 3.7Å; W293-R418 HydrophobicContact CD2-CG 4.4Å; W293-R418 HydrophobicContact CE3-CB 3.54Å; W293-R418 HydrophobicContact CG-CB 4.25Å; W293-R418 HydrophobicContact CH2-CB 4.19Å; W293-R418 HydrophobicContact CH2-CG 4.48Å; W293-R418 HydrophobicContact CZ2-CB 4.37Å; W293-R418 HydrophobicContact CZ2-CG 4.4Å; W293-R418 HydrophobicContact CZ3-CB 3.8Å; L294-R418 PolarHBondContact N-O 3.12Å; A416-R418 PolarHBondContact O-NH1 3.32Å; A416-R418 VanDerWaalsContact O-NH1 3.08Å; R418-V429 HydrophobicContact CB-CG1 4.06Å; R418-V429 HydrophobicContact CG-CG1 3.56Å; R418-E430 WeakPolarHBondContact CA-O 3.44Å; R418-Y431 HydrophobicContact CG-CD1 4.32Å; R418-Y431 HydrophobicContact CG-CE1 3.97Å |
| 419 | F | 96.5 | Very high | 88.4 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.7 | 176.4 | 175.7 | -106.9 | 0 | 0 | 0 | 110.7 | I296 L299 P341 H342 E430 V432 | I296-F419 HydrophobicContact CD1-CE1 4.34Å; I296-F419 HydrophobicContact CD1-CZ 3.95Å; I296-F419 HydrophobicContact CG1-CE1 4.37Å; I296-F419 HydrophobicContact CG1-CE2 3.95Å; I296-F419 HydrophobicContact CG1-CZ 3.72Å; L299-F419 HydrophobicContact CD1-CD2 3.68Å; L299-F419 HydrophobicContact CD1-CE2 3.68Å; P341-F419 HydrophobicContact CG-CB 4.48Å; P341-F419 HydrophobicContact CG-CD1 4.12Å; P341-F419 HydrophobicContact CG-CD2 4.37Å; P341-F419 HydrophobicContact CG-CE1 4.45Å; P341-F419 HydrophobicContact CG-CG 4.08Å; H342-F419 AromaticContact CD2-CE1 3.44Å; H342-F419 VanDerWaalsContact CD2-CE1 3.44Å; H342-F419 WeakPolarHBondContact CD2-CE1 3.41Å; H342-F419 AromaticContact CD2-CZ 3.7Å; H342-F419 AromaticContact NE2-CE1 3.45Å; H342-F419 WeakPolarHBondContact NE2-CE1 3.02Å; F419-E430 HydrophobicContact CB-CB 4.18Å; F419-E430 HydrophobicContact CD1-CB 4.19Å; F419-E430 PolarHBondContact N-O 2.98Å; F419-V432 HydrophobicContact CB-CG1 4.03Å; F419-V432 HydrophobicContact CD2-CG1 4.2Å |
| 420 | G | 93.2 | Very high | 88.3 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 94 | -169 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | W293 L294 | W293-G420 CarbonylContact C-O 3.45Å; W293-G420 WeakPolarHBondContact CB-O 3.33Å; L294-G420 CarbonylContact C-O 3.43Å; L294-G420 PolarHBondContact N-O 3.46Å; L294-G420 WeakPolarHBondContact O-CA 3.47Å; L294-G420 PolarHBondContact O-N 2.87Å |
| 421 | Q | 83.6 | Confident | 88.4 | Confident | 152 Ų | 152 | 69.7 Ų | 69.7 | 71% | 0.71 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -92.4 | -30.6 | -170.3 | -68.4 | -179.1 | -19.6 | 0 | 0 | 114.8 | P295 | P295-Q421 HydrophobicContact CB-CG 4.37Š|
| 422 | T | 82.3 | Confident | 88.6 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -169.2 | 164.6 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | K424 | T422-K424 PolarHBondContact O-N 3.34Å; T422-K424 VanDerWaalsContact O-N 3.13Å |
| 423 | K | 78.7 | Confident | 88.7 | Confident | 130 Ų | 130 | 70.6 Ų | 70.6 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | trans | -66 | 112.9 | 175.2 | -172.8 | 176.3 | -178.8 | 178.1 | 0 | 109.2 | W293 R427 V429 | W293-K423 VanDerWaalsContact CH2-CA 3.45Å; W293-K423 HydrophobicContact CH2-CB 3.71Å; W293-K423 HydrophobicContact CZ2-CB 3.94Å; K423-R427 WeakPolarHBondContact CE-O 3.43Å; K423-V429 HydrophobicContact CB-CG2 4.5Å; K423-V429 HydrophobicContact CD-CG2 3.9Å; K423-V429 HydrophobicContact CG-CG2 4.02Å | ||
| 424 | K | 75.8 | Confident | 88.9 | Confident | 142 Ų | 142 | 68.5 Ų | 68.5 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | trans | -67.4 | 139.7 | 171.2 | -66.2 | 178.9 | -179.3 | 173.3 | 0 | 109.6 | T422 N426 R427 | T422-K424 PolarHBondContact O-N 3.34Å; T422-K424 VanDerWaalsContact O-N 3.13Å; K424-N426 PolarHBondContact O-N 2.91Å; K424-R427 HydrophobicContact CB-CB 4.28Å; K424-R427 PolarHBondContact O-N 3.44Å | ||
| 425 | M | 76.9 | Confident | 89.3 | Confident | 176 Ų | 176 | 65.5 Ų | 65.5 | 87% | 0.867 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 131.9 | 175.2 | -85.2 | -98.8 | -169.3 | 0 | 0 | 110.4 | R427 | M425-R427 PolarHBondContact O-N 3.11Å; M425-R427 VanDerWaalsContact O-N 3.17Å |
| 426 | N | 71.3 | Confident | 89.5 | Confident | 168 Ų | 168 | 66.2 Ų | 66.2 | 90% | 0.898 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 16.8 | 177.3 | -54.8 | -29 | 0 | 0 | 0 | 116.6 | K424 | K424-N426 PolarHBondContact O-N 2.91Š|
| 427 | R | 75.8 | Confident | 89.7 | Confident | 154 Ų | 154 | 65.6 Ų | 65.6 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | trans | -110.6 | 150.1 | 171.4 | -72.9 | -169.3 | 158.4 | -159.3 | -3.9 | 112.1 | K423 K424 M425 | K423-R427 WeakPolarHBondContact CE-O 3.43Å; K424-R427 HydrophobicContact CB-CB 4.28Å; K424-R427 PolarHBondContact O-N 3.44Å; M425-R427 PolarHBondContact O-N 3.11Å; M425-R427 VanDerWaalsContact O-N 3.17Å | ||
| 428 | S | 82.4 | Confident | 89.8 | Confident | 89 Ų | 89 | 66 Ų | 66 | 62% | 0.622 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 154.3 | 167 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 429 | V | 91 | Very high | 89.8 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 19% | 0.188 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 125.8 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | W293 R418 K423 Y431 | W293-V429 HydrophobicContact CH2-CG1 4.01Å; W293-V429 HydrophobicContact CH2-CG2 4.24Å; R418-V429 HydrophobicContact CB-CG1 4.06Å; R418-V429 HydrophobicContact CG-CG1 3.56Å; K423-V429 HydrophobicContact CB-CG2 4.5Å; K423-V429 HydrophobicContact CD-CG2 3.9Å; K423-V429 HydrophobicContact CG-CG2 4.02Å; V429-Y431 HydrophobicContact CB-CE2 4.3Å; V429-Y431 HydrophobicContact CG1-CE1 4.44Å; V429-Y431 HydrophobicContact CG1-CE2 4Å; V429-Y431 WeakPolarHBondContact O-CE2 3.46Å |
| 430 | E | 93.9 | Very high | 89.9 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 151.4 | 173.9 | -62.8 | -179.6 | 98.7 | 0 | 0 | 109.4 | H342 R418 F419 | H342-E430 IonicContact CE1-OE1 2.87Å; H342-E430 PolarHBondContact CE1-OE1 3.38Å; H342-E430 IonicContact NE2-OE1 3.79Å; H342-E430 PolarHBondContact NE2-OE1 3.19Å; R418-E430 WeakPolarHBondContact CA-O 3.44Å; F419-E430 HydrophobicContact CB-CB 4.18Å; F419-E430 HydrophobicContact CD1-CB 4.19Å; F419-E430 PolarHBondContact N-O 2.98Å |
| 431 | Y | 97.1 | Very high | 90.2 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 146.9 | -175.8 | -68.9 | -90.1 | 0 | 0 | 0 | 109.3 | R413 I417 R418 V429 | R413-Y431 HydrophobicContact CG-CD1 4.13Å; R413-Y431 HydrophobicContact CG-CD2 3.68Å; R413-Y431 HydrophobicContact CG-CE1 4.45Å; R413-Y431 HydrophobicContact CG-CE2 4.01Å; R413-Y431 HydrophobicContact CG-CG 3.75Å; I417-Y431 VanDerWaalsContact O-CD1 3.32Å; I417-Y431 WeakPolarHBondContact O-CD1 3.36Å; R418-Y431 HydrophobicContact CG-CD1 4.32Å; R418-Y431 HydrophobicContact CG-CE1 3.97Å; V429-Y431 HydrophobicContact CB-CE2 4.3Å; V429-Y431 HydrophobicContact CG1-CE1 4.44Å; V429-Y431 HydrophobicContact CG1-CE2 4Å; V429-Y431 WeakPolarHBondContact O-CE2 3.46Å |
| 432 | V | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -68.8 | 154 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | L294 L299 I338 S412 I417 F419 M434 | L294-V432 HydrophobicContact CB-CG1 4.3Å; L294-V432 HydrophobicContact CD1-CG1 4.17Å; L294-V432 HydrophobicContact CD1-CG2 4.41Å; L299-V432 HydrophobicContact CD1-CG1 4.16Å; I338-V432 HydrophobicContact CG2-CB 3.55Å; I338-V432 HydrophobicContact CG2-CG1 3.99Å; I338-V432 HydrophobicContact CG2-CG2 3.4Å; I338-V432 VanDerWaalsContact CG2-CG2 3.4Å; S412-V432 WeakPolarHBondContact CB-O 3.47Å; S412-V432 PolarHBondContact OG-O 3.04Å; I417-V432 HydrophobicContact CB-CG2 4.12Å; I417-V432 HydrophobicContact CG2-CG2 3.67Å; I417-V432 PolarHBondContact O-N 3.38Å; F419-V432 HydrophobicContact CB-CG1 4.03Å; F419-V432 HydrophobicContact CD2-CG1 4.2Å; V432-M434 HydrophobicContact CG2-CE 3.9Å | ||
| 433 | H | 98.5 | Very high | 91.6 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.6 | 169.6 | -76 | -172.5 | 0 | 0 | 0 | 110.8 | I338 T339 P341 S346 L408 D409 | I338-H433 WeakPolarHBondContact CA-O 3.46Å; T339-H433 PolarHBondContact N-O 3.42Å; T339-H433 PolarHBondContact O-N 2.91Å; T339-H433 WeakPolarHBondContact OG1-CB 3.06Å; T339-H433 PolarHBondContact OG1-O 3.02Å; P341-H433 WeakPolarHBondContact CB-NE2 3.48Å; S346-H433 VanDerWaalsContact CB-ND1 3.33Å; S346-H433 WeakPolarHBondContact CB-ND1 3.21Å; S346-H433 PolarHBondContact OG-ND1 3.18Å; L408-H433 VanDerWaalsContact C-CD2 3.44Å; L408-H433 VanDerWaalsContact CD2-CE1 3.49Å; L408-H433 WeakPolarHBondContact CD2-CE1 3.48Å; L408-H433 CarbonylContact O-C 3.47Å; L408-H433 VanDerWaalsContact O-CA 3.24Å; L408-H433 WeakPolarHBondContact O-CA 3.43Å; D409-H433 PolarHBondContact N-CD2 2.86Å |
| 434 | M | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.2 | -179.7 | -68.9 | -177.2 | 169.2 | 0 | 0 | 111.2 | F336 I338 C407 L408 Q411 I417 V432 | F336-M434 HydrophobicContact CZ-CB 4.16Å; F336-M434 HydrophobicContact CZ-CG 4.21Å; F336-M434 HydrophobicContact CZ-SD 4.06Å; I338-M434 HydrophobicContact CD1-CE 4.16Å; I338-M434 HydrophobicContact CG1-CE 4.32Å; I338-M434 HydrophobicContact CG1-CG 4.49Å; C407-M434 WeakPolarHBondContact CB-O 3.32Å; C407-M434 PolarHBondContact N-O 3.38Å; L408-M434 PolarHBondContact O-N 3.37Å; Q411-M434 HydrophobicContact CB-CB 4.43Å; Q411-M434 HydrophobicContact CB-SD 3.94Å; I417-M434 HydrophobicContact CB-CE 3.89Å; I417-M434 HydrophobicContact CD1-CE 3.2Å; I417-M434 HydrophobicContact CD1-SD 4.49Å; I417-M434 HydrophobicContact CG1-CE 3.98Å; I417-M434 HydrophobicContact CG2-CE 4Å; V432-M434 HydrophobicContact CG2-CE 3.9Å |
| 435 | L | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.2 | -177 | -57.3 | 94.8 | 0 | 0 | 0 | 110.1 | F336 C337 T339 S346 F350 M353 S405 N406 | F336-L435 WeakPolarHBondContact CA-O 3.42Å; C337-L435 HydrophobicContact CB-CB 4.43Å; C337-L435 PolarHBondContact N-O 3.31Å; C337-L435 PolarHBondContact O-N 2.67Å; T339-L435 HydrophobicContact CG2-CD1 3.76Å; T339-L435 WeakPolarHBondContact OG1-CD1 3.1Å; S346-L435 WeakPolarHBondContact O-CD2 3.31Å; F350-L435 HydrophobicContact CB-CD2 3.73Å; F350-L435 HydrophobicContact CD2-CD2 4.38Å; M353-L435 HydrophobicContact CE-CB 4.13Å; M353-L435 HydrophobicContact SD-CB 3.62Å; M353-L435 HydrophobicContact SD-CD2 4.41Å; S405-L435 WeakPolarHBondContact O-CA 3.28Å; N406-L435 HydrophobicContact CB-CD2 3.71Å; N406-L435 HydrophobicContact CB-CG 4.23Å |
| 436 | N | 98.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 30.7 Ų | 30.7 | 9% | 0.086 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 139.9 | 179.1 | 60.8 | -54.1 | 0 | 0 | 0 | 109.9 | E282 Q335 F336 C404 S405 | E282-N436 HydrophobicContact CB-CB 4.47Å; E282-N436 HydrophobicContact CG-CB 3.89Å; E282-N436 VanDerWaalsContact OE2-CG 3.31Å; E282-N436 PolarHBondContact OE2-ND2 2.94Å; Q335-N436 CarbonylContact O-C 3.45Å; Q335-N436 VanDerWaalsContact O-CA 3.26Å; Q335-N436 WeakPolarHBondContact O-CA 3.48Å; F336-N436 HydrophobicContact CD2-CB 4.11Å; C404-N436 CarbonylContact C-O 3.54Å; C404-N436 WeakPolarHBondContact CA-O 3.43Å; S405-N436 PolarHBondContact N-O 3.32Å; S405-N436 PolarHBondContact O-N 2.67Å |
| 437 | A | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 129 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q335 M353 S403 C404 M439 | Q335-A437 WeakPolarHBondContact CA-O 3.33Å; Q335-A437 HydrophobicContact CB-CB 4.21Å; Q335-A437 VanDerWaalsContact CB-O 3.27Å; Q335-A437 WeakPolarHBondContact CB-O 3.39Å; Q335-A437 PolarHBondContact N-O 2.88Å; Q335-A437 PolarHBondContact O-N 3.29Å; M353-A437 HydrophobicContact CB-CB 3.92Å; M353-A437 HydrophobicContact CE-CB 3.73Å; S403-A437 WeakPolarHBondContact O-CA 3.21Å; C404-A437 HydrophobicContact CB-CB 3.65Å; C404-A437 VanDerWaalsContact SG-CB 3.57Å; A437-M439 PolarHBondContact O-N 2.75Å; A437-M439 VanDerWaalsContact O-N 3.17Å |
| 438 | T | 98.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 15.4 Ų | 15.4 | 5% | 0.049 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 121.3 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 109.1 | K332 E334 V402 S403 | K332-T438 VanDerWaalsContact CE-CG2 3.43Å; K332-T438 WeakPolarHBondContact CE-OG1 3.39Å; K332-T438 HydrophobicContact CG-CG2 4.43Å; K332-T438 PolarHBondContact NZ-OG1 3.34Å; E334-T438 WeakPolarHBondContact OE1-CA 3.48Å; E334-T438 PolarHBondContact OE1-N 3.43Å; E334-T438 PolarHBondContact OE1-OG1 2.83Å; V402-T438 WeakPolarHBondContact CG1-O 3.42Å; V402-T438 HydrophobicContact CG2-CG2 4.39Å; V402-T438 WeakPolarHBondContact CG2-O 3.32Å; S403-T438 PolarHBondContact O-N 3.28Å |
| 439 | M | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -49.1 | 169.4 | -171.6 | 62.5 | 171.9 | 0 | 0 | 109.1 | A212 M215 L216 V333 Q335 N356 F360 A437 | A212-M439 HydrophobicContact CB-CG 3.79Å; M215-M439 HydrophobicContact CB-CE 3.94Å; M215-M439 HydrophobicContact SD-CE 4.44Å; L216-M439 HydrophobicContact CD1-CB 4.01Å; L216-M439 HydrophobicContact CD1-CG 3.84Å; L216-M439 HydrophobicContact CD1-SD 4.38Å; L216-M439 HydrophobicContact CD2-CE 4.13Å; L216-M439 HydrophobicContact CD2-CG 4.49Å; L216-M439 HydrophobicContact CD2-SD 3.95Å; L216-M439 HydrophobicContact CG-CE 4.07Å; L216-M439 HydrophobicContact CG-CG 4.16Å; L216-M439 HydrophobicContact CG-SD 4.17Å; V333-M439 HydrophobicContact CB-CB 4.15Å; V333-M439 HydrophobicContact CG1-CB 3.95Å; V333-M439 HydrophobicContact CG1-CG 4.41Å; V333-M439 WeakPolarHBondContact O-CB 3.47Å; V333-M439 PolarHBondContact O-N 3.33Å; Q335-M439 HydrophobicContact CG-CB 4.23Å; N356-M439 HydrophobicContact CB-SD 4.26Å; F360-M439 HydrophobicContact CB-CE 3.62Å; F360-M439 HydrophobicContact CB-SD 4.27Å; F360-M439 HydrophobicContact CD2-CE 4.02Å; F360-M439 HydrophobicContact CG-CE 4.08Å; A437-M439 PolarHBondContact O-N 2.75Å; A437-M439 VanDerWaalsContact O-N 3.17Å |
| 440 | C | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 138.2 | 171 | 63.6 | 0 | 0 | 0 | 0 | 111.9 | I208 K332 V333 F360 V445 | I208-C440 HydrophobicContact CG2-CB 4.32Å; K332-C440 WeakPolarHBondContact CA-O 3.4Å; K332-C440 WeakPolarHBondContact CG-O 3.41Å; V333-C440 PolarHBondContact N-O 3.2Å; V333-C440 PolarHBondContact O-N 3.09Å; F360-C440 HydrophobicContact CE1-CB 3.84Å; F360-C440 HydrophobicContact CZ-CB 3.99Å; C440-V445 HydrophobicContact CB-CG2 3.91Å |
| 441 | A | 98.4 | Very high | 98.4 | Very high | 8 Ų | 8 | 6.2 Ų | 6.2 | 7% | 0.066 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.4 | 156 | 0 | 0 | 0 | 0 | 0 | 107.2 | T443 R444 V445 | A441-T443 VanDerWaalsContact C-N 3.32Å; A441-T443 PolarHBondContact O-N 3.43Å; A441-R444 HydrophobicContact CB-CB 4.48Å; A441-R444 HydrophobicContact CB-CG 4.39Å; A441-R444 PolarHBondContact O-N 2.86Å; A441-R444 VanDerWaalsContact O-N 3.13Å; A441-V445 PolarHBondContact O-N 3.31Å; A441-V445 VanDerWaalsContact O-N 3.09Å |
| 442 | T | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | -162.1 | 58.3 | 0 | 0 | 0 | 0 | 112.4 | E205 I208 I209 E331 R444 V445 I446 | E205-T442 HydrophobicContact CG-CG2 4.04Å; E205-T442 PolarHBondContact OE1-OG1 2.85Å; I208-T442 HydrophobicContact CG2-CG2 4.12Å; I209-T442 HydrophobicContact CD1-CG2 3.95Å; I209-T442 HydrophobicContact CG1-CG2 3.5Å; I209-T442 VanDerWaalsContact CG1-CG2 3.5Å; E331-T442 HydrophobicContact CB-CG2 3.84Å; E331-T442 WeakPolarHBondContact CB-OG1 3.18Å; E331-T442 PolarHBondContact O-N 2.89Å; E331-T442 PolarHBondContact O-OG1 3.24Å; T442-R444 VanDerWaalsContact C-N 3.33Å; T442-R444 PolarHBondContact O-N 3.31Å; T442-V445 PolarHBondContact O-N 2.85Å; T442-I446 WeakPolarHBondContact O-CB 3.44Å; T442-I446 VanDerWaalsContact O-CG1 3.23Å; T442-I446 WeakPolarHBondContact O-CG1 3.27Å; T442-I446 PolarHBondContact O-N 3.19Å |
| 443 | T | 98.3 | Very high | 98.5 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 2% | 0.018 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.6 | -39.8 | -178.5 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | I324 V327 F330 A441 I446 C447 | I324-T443 HydrophobicContact CB-CG2 4.44Å; I324-T443 WeakPolarHBondContact O-CB 3.47Å; I324-T443 PolarHBondContact O-OG1 3.02Å; V327-T443 HydrophobicContact CG2-CG2 4.41Å; F330-T443 HydrophobicContact CB-CG2 3.97Å; A441-T443 VanDerWaalsContact C-N 3.32Å; A441-T443 PolarHBondContact O-N 3.43Å; T443-I446 PolarHBondContact O-N 3.46Å; T443-C447 PolarHBondContact O-N 2.81Å; T443-C447 PolarHBondContact O-SG 3.2Å |
| 444 | R | 98.4 | Very high | 98.4 | Very high | 28 Ų | 28 | 5.8 Ų | 5.8 | 11% | 0.106 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -69.2 | -41.8 | 176.9 | -63 | -167.2 | -179.3 | -173 | 7.9 | 111.7 | F325 E400 L401 A441 T442 C447 A448 | F325-R444 HydrophobicContact CD2-CB 4.45Å; F325-R444 HydrophobicContact CD2-CG 4.18Å; F325-R444 HydrophobicContact CE2-CB 4.19Å; F325-R444 HydrophobicContact CE2-CG 3.99Å; F325-R444 HydrophobicContact CZ-CG 4.41Å; E400-R444 WeakPolarHBondContact O-CD 3.37Å; E400-R444 PolarHBondContact O-NH1 3.4Å; E400-R444 IonicContact OE2-CZ 2.75Å; E400-R444 IonicContact OE2-NH1 3.37Å; E400-R444 PolarHBondContact OE2-NH1 2.94Å; E400-R444 IonicContact OE2-NH2 3.69Å; L401-R444 HydrophobicContact CD2-CB 3.66Å; A441-R444 HydrophobicContact CB-CB 4.48Å; A441-R444 HydrophobicContact CB-CG 4.39Å; A441-R444 PolarHBondContact O-N 2.86Å; A441-R444 VanDerWaalsContact O-N 3.13Å; T442-R444 VanDerWaalsContact C-N 3.33Å; T442-R444 PolarHBondContact O-N 3.31Å; R444-C447 WeakPolarHBondContact O-CB 3.31Å; R444-C447 PolarHBondContact O-N 3.35Å; R444-A448 PolarHBondContact O-N 2.93Å |
| 445 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | I208 F360 L364 C440 A441 T442 C447 A448 I449 | I208-V445 HydrophobicContact CD1-CB 4.33Å; I208-V445 HydrophobicContact CD1-CG1 3.92Å; I208-V445 HydrophobicContact CG1-CG1 4.25Å; I208-V445 HydrophobicContact CG2-CB 4.36Å; I208-V445 HydrophobicContact CG2-CG1 4.17Å; F360-V445 HydrophobicContact CE1-CG1 4.14Å; F360-V445 HydrophobicContact CE1-CG2 4.25Å; F360-V445 HydrophobicContact CZ-CG1 4.46Å; L364-V445 HydrophobicContact CD1-CG1 3.7Å; C440-V445 HydrophobicContact CB-CG2 3.91Å; A441-V445 PolarHBondContact O-N 3.31Å; A441-V445 VanDerWaalsContact O-N 3.09Å; T442-V445 PolarHBondContact O-N 2.85Å; V445-C447 VanDerWaalsContact C-N 3.34Å; V445-C447 PolarHBondContact O-N 2.79Å; V445-A448 PolarHBondContact O-N 3.27Å; V445-I449 HydrophobicContact CG1-CD1 3.93Å; V445-I449 HydrophobicContact CG1-CG1 4.43Å; V445-I449 WeakPolarHBondContact O-CG1 3.39Å; V445-I449 PolarHBondContact O-N 3.47Å |
| 446 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.1 | -49.5 | 171.6 | -71.6 | 166.7 | 0 | 0 | 0 | 109.9 | L201 L204 E205 I208 I324 T442 T443 A448 I449 L450 | L201-I446 HydrophobicContact CD1-CG2 4.38Å; L201-I446 HydrophobicContact CD2-CG2 4.01Å; L204-I446 HydrophobicContact CD2-CG1 4.1Å; L204-I446 HydrophobicContact CD2-CG2 4.18Å; L204-I446 HydrophobicContact CG-CG1 4.2Å; E205-I446 HydrophobicContact CB-CD1 3.95Å; I208-I446 HydrophobicContact CD1-CD1 4.47Å; I208-I446 HydrophobicContact CD1-CG1 3.52Å; I324-I446 HydrophobicContact CD1-CB 4.3Å; I324-I446 HydrophobicContact CD1-CG2 3.87Å; T442-I446 WeakPolarHBondContact O-CB 3.44Å; T442-I446 VanDerWaalsContact O-CG1 3.23Å; T442-I446 WeakPolarHBondContact O-CG1 3.27Å; T442-I446 PolarHBondContact O-N 3.19Å; T443-I446 PolarHBondContact O-N 3.46Å; I446-A448 VanDerWaalsContact C-N 3.31Å; I446-A448 PolarHBondContact O-N 2.84Å; I446-I449 PolarHBondContact O-N 3.46Å; I446-L450 HydrophobicContact CG2-CD1 3.76Å; I446-L450 HydrophobicContact CG2-CG 4.09Å; I446-L450 VanDerWaalsContact O-CG 3.25Å; I446-L450 WeakPolarHBondContact O-CG 3.49Å; I446-L450 PolarHBondContact O-N 3.42Å |
| 447 | C | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58 | -43.9 | 179 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | H171 I324 F325 F392 T443 R444 V445 L450 E451 | H171-C447 HydrophobicContact CB-CB 3.57Å; H171-C447 PolarHBondContact CD2-SG 3.15Å; H171-C447 VanDerWaalsContact CG-SG 3.59Å; I324-C447 VanDerWaalsContact CG1-SG 3.51Å; F325-C447 HydrophobicContact CD2-CB 4.15Å; F392-C447 HydrophobicContact CE1-CB 3.72Å; F392-C447 HydrophobicContact CZ-CB 4.4Å; T443-C447 PolarHBondContact O-N 2.81Å; T443-C447 PolarHBondContact O-SG 3.2Å; R444-C447 WeakPolarHBondContact O-CB 3.31Å; R444-C447 PolarHBondContact O-N 3.35Å; V445-C447 VanDerWaalsContact C-N 3.34Å; V445-C447 PolarHBondContact O-N 2.79Å; C447-L450 PolarHBondContact O-N 3.42Å; C447-E451 PolarHBondContact O-N 3.24Å; C447-E451 VanDerWaalsContact O-N 3.08Å |
| 448 | A | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L366 F392 L401 R444 V445 I446 N452 | L366-A448 HydrophobicContact CD1-CB 3.97Å; L366-A448 HydrophobicContact CD2-CB 4.24Å; F392-A448 HydrophobicContact CE1-CB 4.22Å; F392-A448 HydrophobicContact CE2-CB 4.32Å; F392-A448 HydrophobicContact CZ-CB 3.8Å; L401-A448 HydrophobicContact CD1-CB 4.18Å; R444-A448 PolarHBondContact O-N 2.93Å; V445-A448 PolarHBondContact O-N 3.27Å; I446-A448 VanDerWaalsContact C-N 3.31Å; I446-A448 PolarHBondContact O-N 2.84Å; A448-N452 WeakPolarHBondContact O-CB 3.3Å; A448-N452 PolarHBondContact O-N 2.79Å; A448-N452 PolarHBondContact O-ND2 3.24Å |
| 449 | I | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 176.2 | -70.7 | 167.5 | 0 | 0 | 0 | 110.4 | L204 I208 L364 L366 V445 I446 E451 N452 Y453 P462 L465 | L204-I449 HydrophobicContact CD2-CG2 4.48Å; I208-I449 HydrophobicContact CD1-CD1 3.89Å; I208-I449 HydrophobicContact CG1-CD1 4.21Å; L364-I449 HydrophobicContact CD1-CD1 4.38Å; L364-I449 HydrophobicContact CD2-CD1 4.18Å; L366-I449 HydrophobicContact CD1-CG1 4.28Å; L366-I449 HydrophobicContact CD2-CG1 4.39Å; V445-I449 HydrophobicContact CG1-CD1 3.93Å; V445-I449 HydrophobicContact CG1-CG1 4.43Å; V445-I449 WeakPolarHBondContact O-CG1 3.39Å; V445-I449 PolarHBondContact O-N 3.47Å; I446-I449 PolarHBondContact O-N 3.46Å; I449-E451 VanDerWaalsContact C-N 3.31Å; I449-E451 PolarHBondContact O-N 2.84Å; I449-N452 PolarHBondContact O-N 2.66Å; I449-Y453 HydrophobicContact CG2-CD2 4.2Å; I449-Y453 VanDerWaalsContact O-CB 3.3Å; I449-Y453 WeakPolarHBondContact O-CB 3.17Å; I449-Y453 PolarHBondContact O-N 3.19Å; I449-P462 HydrophobicContact CD1-CG 4.26Å; I449-P462 HydrophobicContact CG1-CG 4.22Å; I449-P462 HydrophobicContact CG2-CG 3.89Å; I449-L465 HydrophobicContact CD1-CD1 3.78Å |
| 450 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -55.7 | -48.4 | -178.8 | -68.4 | 177.3 | 0 | 0 | 0 | 110.8 | L174 V175 L201 I446 C447 Q454 I459 | L174-L450 HydrophobicContact CB-CB 4.11Å; L174-L450 HydrophobicContact CB-CD1 4.36Å; L174-L450 HydrophobicContact CD1-CB 4.02Å; L174-L450 WeakPolarHBondContact CD1-O 3.44Å; V175-L450 HydrophobicContact CB-CD1 4.4Å; V175-L450 HydrophobicContact CG1-CD1 3.37Å; L201-L450 HydrophobicContact CD1-CD1 4.35Å; L201-L450 HydrophobicContact CD2-CD1 4.3Å; L201-L450 HydrophobicContact CD2-CD2 4.08Å; I446-L450 HydrophobicContact CG2-CD1 3.76Å; I446-L450 HydrophobicContact CG2-CG 4.09Å; I446-L450 VanDerWaalsContact O-CG 3.25Å; I446-L450 WeakPolarHBondContact O-CG 3.49Å; I446-L450 PolarHBondContact O-N 3.42Å; C447-L450 PolarHBondContact O-N 3.42Å; L450-Q454 WeakPolarHBondContact O-CB 3.14Å; L450-Q454 PolarHBondContact O-N 3.1Å; L450-I459 HydrophobicContact CB-CD1 4.47Å; L450-I459 HydrophobicContact CD2-CB 4.35Å; L450-I459 HydrophobicContact CD2-CD1 3.93Å; L450-I459 HydrophobicContact CD2-CG1 3.6Å; L450-I459 HydrophobicContact CD2-CG2 4.12Å |
| 451 | E | 98.2 | Very high | 97.6 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 1% | 0.014 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | -178.6 | -71.5 | -166 | -158.6 | 0 | 0 | 113.3 | S170 H171 L174 F392 P393 G394 C447 I449 Q454 | S170-E451 WeakPolarHBondContact CA-OE1 3.43Å; H171-E451 HydrophobicContact CB-CG 4.1Å; H171-E451 IonicContact CE1-OE1 3.99Å; H171-E451 IonicContact CG-OE1 3.96Å; H171-E451 VanDerWaalsContact N-CG 3.31Å; H171-E451 PolarHBondContact N-OE1 3.36Å; H171-E451 IonicContact ND1-OE1 3.05Å; H171-E451 PolarHBondContact ND1-OE1 3.12Å; L174-E451 HydrophobicContact CD1-CG 4.21Å; F392-E451 VanDerWaalsContact C-OE2 3.23Å; F392-E451 WeakPolarHBondContact CA-OE2 3.43Å; F392-E451 WeakPolarHBondContact CB-OE2 3.29Å; P393-E451 HydrophobicContact CG-CB 3.98Å; G394-E451 PolarHBondContact N-OE2 3.47Å; C447-E451 PolarHBondContact O-N 3.24Å; C447-E451 VanDerWaalsContact O-N 3.08Å; I449-E451 VanDerWaalsContact C-N 3.31Å; I449-E451 PolarHBondContact O-N 2.84Å; E451-Q454 WeakPolarHBondContact O-CG 3.31Å; E451-Q454 PolarHBondContact O-NE2 3.43Å |
| 452 | N | 98.2 | Very high | 97.6 | Very high | 21 Ų | 21 | 17.1 Ų | 17.1 | 11% | 0.112 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -76.1 | -32.8 | -176.1 | -76.4 | -81.6 | 0 | 0 | 0 | 112.7 | F165 L366 W391 A448 I449 | F165-N452 WeakPolarHBondContact CZ-OD1 3.44Å; L366-N452 HydrophobicContact CD2-CB 4Å; W391-N452 PolarHBondContact O-ND2 3.03Å; A448-N452 WeakPolarHBondContact O-CB 3.3Å; A448-N452 PolarHBondContact O-N 2.79Å; A448-N452 PolarHBondContact O-ND2 3.24Å; I449-N452 PolarHBondContact O-N 2.66Å |
| 453 | Y | 97.9 | Very high | 97.5 | Very high | 20 Ų | 20 | 21 Ų | 21 | 8% | 0.078 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -101.6 | 9.7 | -175.5 | -74.6 | -94.7 | 0 | 0 | 0 | 114.8 | L364 L366 I449 I460 P462 | L364-Y453 WeakPolarHBondContact O-CE2 3.48Å; L364-Y453 PolarHBondContact O-OH 3.35Å; L366-Y453 HydrophobicContact CD2-CE2 4.33Å; I449-Y453 HydrophobicContact CG2-CD2 4.2Å; I449-Y453 VanDerWaalsContact O-CB 3.3Å; I449-Y453 WeakPolarHBondContact O-CB 3.17Å; I449-Y453 PolarHBondContact O-N 3.19Å; Y453-I460 VanDerWaalsContact CB-O 3.24Å; Y453-I460 WeakPolarHBondContact CB-O 3.5Å; Y453-I460 HydrophobicContact CD1-CB 4.02Å; Y453-I460 HydrophobicContact CD1-CG2 4.03Å; Y453-I460 WeakPolarHBondContact CD1-O 3.44Å; Y453-I460 PolarHBondContact O-N 3.11Å; Y453-P462 HydrophobicContact CD2-CG 4.14Å; Y453-P462 HydrophobicContact CE1-CG 4.28Å; Y453-P462 HydrophobicContact CE2-CB 4.48Å; Y453-P462 HydrophobicContact CE2-CG 3.81Å; Y453-P462 HydrophobicContact CG-CG 4.5Å |
| 454 | Q | 96.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 23.1 Ų | 23.1 | 5% | 0.051 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 141.9 | 176 | 71.6 | -172.4 | -90.3 | 0 | 0 | 112.7 | K167 L169 L174 L450 E451 I459 | K167-Q454 HydrophobicContact CB-CG 4.27Å; K167-Q454 HydrophobicContact CD-CG 4.07Å; K167-Q454 HydrophobicContact CG-CG 4.36Å; L169-Q454 VanDerWaalsContact N-OE1 3.1Å; L169-Q454 PolarHBondContact O-NE2 3.23Å; L174-Q454 HydrophobicContact CD1-CB 4.19Å; L174-Q454 HydrophobicContact CD2-CB 4.04Å; L450-Q454 WeakPolarHBondContact O-CB 3.14Å; L450-Q454 PolarHBondContact O-N 3.1Å; E451-Q454 WeakPolarHBondContact O-CG 3.31Å; E451-Q454 PolarHBondContact O-NE2 3.43Å; Q454-I459 HydrophobicContact CB-CD1 3.94Å |
| 455 | T | 95.3 | Very high | 97.5 | Very high | 43 Ų | 43 | 21.8 Ų | 21.8 | 26% | 0.264 | 11% | 0.111 | S | C | . | . | trans | -122.7 | -177.3 | 169.2 | 78.1 | 0 | 0 | 0 | 0 | 109.4 | H457 G458 I460 F476 F479 | T455-H457 PolarHBondContact O-N 3.05Å; T455-H457 PolarHBondContact OG1-N 3.23Å; T455-H457 VanDerWaalsContact OG1-N 3.17Å; T455-G458 PolarHBondContact N-O 2.62Å; T455-G458 PolarHBondContact OG1-N 3.1Å; T455-G458 PolarHBondContact OG1-O 3.44Å; T455-I460 HydrophobicContact CG2-CD1 3.71Å; T455-I460 HydrophobicContact CG2-CG1 3.78Å; T455-F476 HydrophobicContact CG2-CE2 4.14Å; T455-F479 WeakPolarHBondContact O-CE2 3.45Å | ||
| 456 | E | 93.1 | Very high | 97.5 | Very high | 160 Ų | 160 | 23.8 Ų | 23.8 | 75% | 0.748 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -63.2 | -22.9 | 173.7 | -165.6 | -174.5 | 155.5 | 0 | 0 | 113.2 | ||
| 457 | H | 94.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 28.2 Ų | 28.2 | 22% | 0.222 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -125.9 | 1.4 | -168.1 | -58.5 | -30.6 | 0 | 0 | 0 | 114.3 | T455 F476 F479 H482 K485 | T455-H457 PolarHBondContact O-N 3.05Å; T455-H457 PolarHBondContact OG1-N 3.23Å; T455-H457 VanDerWaalsContact OG1-N 3.17Å; H457-F476 HydrophobicContact CB-CZ 4.23Å; H457-F479 PolarHBondContact O-N 3.04Å; H457-H482 HydrophobicContact CB-CB 4.31Å; H457-H482 AromaticContact CG-ND1 3.86Å; H457-H482 AromaticContact ND1-CE1 3.77Å; H457-H482 AromaticContact ND1-ND1 3.35Å; H457-H482 PolarHBondContact ND1-ND1 3.09Å; H457-K485 HydrophobicContact CB-CB 4.09Å |
| 458 | G | 96.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -155.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T455 I477 F479 | T455-G458 PolarHBondContact N-O 2.62Å; T455-G458 PolarHBondContact OG1-N 3.1Å; T455-G458 PolarHBondContact OG1-O 3.44Å; G458-I477 CarbonylContact C-O 3.57Å; G458-I477 WeakPolarHBondContact CA-O 3.44Å; G458-F479 VanDerWaalsContact N-CD2 3.29Å |
| 459 | I | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.5 | -176.7 | -47.3 | -66 | 0 | 0 | 0 | 109 | L174 V178 L450 Q454 F476 I477 F479 | L174-I459 HydrophobicContact CD2-CD1 3.98Å; V178-I459 HydrophobicContact CG1-CD1 4.49Å; V178-I459 HydrophobicContact CG1-CG1 3.68Å; L450-I459 HydrophobicContact CB-CD1 4.47Å; L450-I459 HydrophobicContact CD2-CB 4.35Å; L450-I459 HydrophobicContact CD2-CD1 3.93Å; L450-I459 HydrophobicContact CD2-CG1 3.6Å; L450-I459 HydrophobicContact CD2-CG2 4.12Å; Q454-I459 HydrophobicContact CB-CD1 3.94Å; I459-F476 CarbonylContact O-C 3.57Å; I459-F476 WeakPolarHBondContact O-CA 3.32Å; I459-F476 VanDerWaalsContact O-CD2 3.28Å; I459-F476 WeakPolarHBondContact O-CD2 3.24Å; I459-I477 HydrophobicContact CB-CB 4.29Å; I459-I477 PolarHBondContact N-O 3.39Å; I459-I477 PolarHBondContact O-N 3.26Å; I459-F479 HydrophobicContact CD1-CE1 4.02Å; I459-F479 HydrophobicContact CD1-CZ 4.37Å; I459-F479 HydrophobicContact CG1-CE1 4.34Å |
| 460 | I | 97.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 32.9 Ų | 32.9 | 9% | 0.087 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.7 | 169.9 | -66.4 | 167 | 0 | 0 | 0 | 108.7 | Y453 T455 F476 I490 V493 | Y453-I460 VanDerWaalsContact CB-O 3.24Å; Y453-I460 WeakPolarHBondContact CB-O 3.5Å; Y453-I460 HydrophobicContact CD1-CB 4.02Å; Y453-I460 HydrophobicContact CD1-CG2 4.03Å; Y453-I460 WeakPolarHBondContact CD1-O 3.44Å; Y453-I460 PolarHBondContact O-N 3.11Å; T455-I460 HydrophobicContact CG2-CD1 3.71Å; T455-I460 HydrophobicContact CG2-CG1 3.78Å; I460-F476 HydrophobicContact CG1-CD2 4.07Å; I460-F476 HydrophobicContact CG1-CE2 4.25Å; I460-I490 HydrophobicContact CB-CG2 4.44Å; I460-I490 HydrophobicContact CD1-CG2 4.18Å; I460-I490 HydrophobicContact CG1-CG2 4.05Å; I460-I490 HydrophobicContact CG2-CG2 3.6Å; I460-V493 HydrophobicContact CD1-CG2 4.26Å; I460-V493 HydrophobicContact CG2-CG2 4.29Å |
| 461 | V | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 127.2 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 109.5 | L465 K466 M469 Y473 K475 I477 | V461-L465 HydrophobicContact CG1-CB 3.91Å; V461-K466 HydrophobicContact CB-CG 4.49Å; V461-K466 HydrophobicContact CG1-CG 4.06Å; V461-K466 WeakPolarHBondContact O-CE 3.36Å; V461-M469 HydrophobicContact CG1-CG 3.93Å; V461-M469 HydrophobicContact CG2-CE 4.36Å; V461-Y473 VanDerWaalsContact CG2-O 3.24Å; V461-Y473 WeakPolarHBondContact CG2-O 3.44Å; V461-K475 PolarHBondContact N-O 3.22Å; V461-I477 HydrophobicContact CG2-CD1 4.08Å; V461-I477 HydrophobicContact CG2-CG1 3.91Å |
| 462 | P | 98 | Very high | 97 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -51.8 | 139.9 | 174 | -26.7 | 33.4 | 0 | 0 | 0 | 112.1 | L364 I449 Y453 V464 L465 K466 | L364-P462 HydrophobicContact CD2-CB 4.07Å; L364-P462 HydrophobicContact CD2-CG 4.3Å; I449-P462 HydrophobicContact CD1-CG 4.26Å; I449-P462 HydrophobicContact CG1-CG 4.22Å; I449-P462 HydrophobicContact CG2-CG 3.89Å; Y453-P462 HydrophobicContact CD2-CG 4.14Å; Y453-P462 HydrophobicContact CE1-CG 4.28Å; Y453-P462 HydrophobicContact CE2-CB 4.48Å; Y453-P462 HydrophobicContact CE2-CG 3.81Å; Y453-P462 HydrophobicContact CG-CG 4.5Å; P462-V464 VanDerWaalsContact C-N 3.26Å; P462-V464 PolarHBondContact O-N 2.87Å; P462-V464 VanDerWaalsContact O-N 3.15Å; P462-L465 HydrophobicContact CB-CD1 4.29Å; P462-L465 HydrophobicContact CB-CG 4.32Å; P462-L465 HydrophobicContact CG-CD1 4.08Å; P462-L465 PolarHBondContact O-N 3.47Å; P462-K466 PolarHBondContact O-N 3.36Å |
| 463 | D | 97 | Very high | 96.9 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -52 | -43.6 | -171.9 | -63.5 | -43.5 | 0 | 0 | 0 | 113.3 | K365 L465 K466 | K365-D463 IonicContact NZ-OD2 3.86Å; K365-D463 PolarHBondContact NZ-OD2 3.45Å; D463-L465 PolarHBondContact O-N 2.94Å; D463-K466 WeakPolarHBondContact O-CB 3.29Å; D463-K466 WeakPolarHBondContact O-CG 3.48Å; D463-K466 PolarHBondContact O-N 3.11Å; D463-K466 WeakPolarHBondContact OD1-CE 3.39Å; D463-K466 IonicContact OD1-NZ 2.76Å; D463-K466 PolarHBondContact OD1-NZ 3Å |
| 464 | V | 98.1 | Very high | 96.8 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 30% | 0.297 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -68 | -16 | -179.1 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | L211 A363 L364 P462 | L211-V464 HydrophobicContact CD1-CB 4.31Å; L211-V464 HydrophobicContact CD2-CB 4.23Å; L211-V464 HydrophobicContact CD2-CG2 3.64Å; A363-V464 HydrophobicContact CB-CG1 4.28Å; A363-V464 HydrophobicContact CB-CG2 4.47Å; A363-V464 WeakPolarHBondContact O-CG2 3.42Å; L364-V464 HydrophobicContact CD2-CG2 3.81Å; P462-V464 VanDerWaalsContact C-N 3.26Å; P462-V464 PolarHBondContact O-N 2.87Å; P462-V464 VanDerWaalsContact O-N 3.15Å |
| 465 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -95.9 | -15.9 | 178.2 | -61.1 | -177.2 | 0 | 0 | 0 | 112.9 | L204 A207 I208 L211 L364 I449 V461 P462 D463 S467 F468 M469 | L204-L465 HydrophobicContact CD1-CD1 3.65Å; A207-L465 HydrophobicContact CB-CB 4.32Å; A207-L465 HydrophobicContact CB-CD2 4.1Å; I208-L465 HydrophobicContact CG1-CD1 4.02Å; I208-L465 HydrophobicContact CG1-CD2 4.43Å; L211-L465 HydrophobicContact CB-CD2 3.99Å; L211-L465 HydrophobicContact CD2-CD2 3.67Å; L211-L465 HydrophobicContact CG-CD2 4.45Å; L364-L465 HydrophobicContact CD2-CD1 3.71Å; L364-L465 HydrophobicContact CD2-CD2 4.15Å; L364-L465 HydrophobicContact CD2-CG 3.81Å; I449-L465 HydrophobicContact CD1-CD1 3.78Å; V461-L465 HydrophobicContact CG1-CB 3.91Å; P462-L465 HydrophobicContact CB-CD1 4.29Å; P462-L465 HydrophobicContact CB-CG 4.32Å; P462-L465 HydrophobicContact CG-CD1 4.08Å; P462-L465 PolarHBondContact O-N 3.47Å; D463-L465 PolarHBondContact O-N 2.94Å; L465-S467 VanDerWaalsContact C-N 3.28Å; L465-S467 PolarHBondContact O-N 2.8Å; L465-F468 PolarHBondContact O-N 2.87Å; L465-F468 VanDerWaalsContact O-N 3.08Å; L465-M469 WeakPolarHBondContact O-CG 3.47Å; L465-M469 PolarHBondContact O-N 3.27Å |
| 466 | K | 98.1 | Very high | 96.8 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.3 | -171.9 | -61 | -177.8 | 172.3 | 165.1 | 0 | 113.2 | V461 P462 D463 F468 M469 Q474 | V461-K466 HydrophobicContact CB-CG 4.49Å; V461-K466 HydrophobicContact CG1-CG 4.06Å; V461-K466 WeakPolarHBondContact O-CE 3.36Å; P462-K466 PolarHBondContact O-N 3.36Å; D463-K466 WeakPolarHBondContact O-CB 3.29Å; D463-K466 WeakPolarHBondContact O-CG 3.48Å; D463-K466 PolarHBondContact O-N 3.11Å; D463-K466 WeakPolarHBondContact OD1-CE 3.39Å; D463-K466 IonicContact OD1-NZ 2.76Å; D463-K466 PolarHBondContact OD1-NZ 3Å; K466-F468 VanDerWaalsContact C-N 3.29Å; K466-F468 PolarHBondContact O-N 3.35Å; K466-M469 PolarHBondContact O-N 3.41Å; K466-Q474 WeakPolarHBondContact CA-O 3.47Å; K466-Q474 HydrophobicContact CB-CG 4.22Å; K466-Q474 WeakPolarHBondContact CB-O 3.22Å; K466-Q474 VanDerWaalsContact CG-O 3.25Å; K466-Q474 WeakPolarHBondContact CG-O 3.4Å; K466-Q474 WeakPolarHBondContact O-CG 3.41Å; K466-Q474 PolarHBondContact O-NE2 2.8Å |
| 467 | S | 97.8 | Very high | 97 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 64% | 0.643 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -26.8 | 179.4 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | L465 | L465-S467 VanDerWaalsContact C-N 3.28Å; L465-S467 PolarHBondContact O-N 2.8Å |
| 468 | F | 98.2 | Very high | 97.1 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 23% | 0.232 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -18.2 | 179.9 | -56.5 | -74.9 | 0 | 0 | 0 | 113.4 | A207 N210 L211 L465 K466 | A207-F468 HydrophobicContact CB-CB 3.53Å; A207-F468 HydrophobicContact CB-CD2 4.49Å; A207-F468 HydrophobicContact CB-CG 4.32Å; N210-F468 HydrophobicContact CB-CD1 3.74Å; N210-F468 HydrophobicContact CB-CE1 3.65Å; N210-F468 HydrophobicContact CB-CG 4.37Å; N210-F468 HydrophobicContact CB-CZ 4.22Å; L211-F468 HydrophobicContact CB-CE2 4.42Å; L465-F468 PolarHBondContact O-N 2.87Å; L465-F468 VanDerWaalsContact O-N 3.08Å; K466-F468 VanDerWaalsContact C-N 3.29Å; K466-F468 PolarHBondContact O-N 3.35Å |
| 469 | M | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -81.9 | 144.4 | -177.3 | -68.2 | -63.9 | -79.1 | 0 | 0 | 111.5 | F203 L204 A207 V461 L465 K466 I477 | F203-M469 VanDerWaalsContact C-SD 3.57Å; F203-M469 HydrophobicContact CB-CE 4.14Å; F203-M469 HydrophobicContact CB-SD 3.89Å; L204-M469 HydrophobicContact CB-CE 4.25Å; L204-M469 HydrophobicContact CB-SD 4.36Å; L204-M469 HydrophobicContact CD1-SD 4.38Å; A207-M469 HydrophobicContact CB-CG 4.37Å; A207-M469 HydrophobicContact CB-SD 3.96Å; V461-M469 HydrophobicContact CG1-CG 3.93Å; V461-M469 HydrophobicContact CG2-CE 4.36Å; L465-M469 WeakPolarHBondContact O-CG 3.47Å; L465-M469 PolarHBondContact O-N 3.27Å; K466-M469 PolarHBondContact O-N 3.41Å; M469-I477 HydrophobicContact CE-CD1 4.03Å; M469-I477 HydrophobicContact CE-CG1 4.33Å |
| 470 | P | 97.3 | Very high | 97 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 26% | 0.26 | 26% | 0.255 | S | S | . | . | trans | -64.7 | 150.5 | 175.6 | 29.2 | -36.5 | 0 | 0 | 0 | 110.6 | F203 K472 Y473 Q474 | F203-P470 HydrophobicContact CB-CG 4.22Å; F203-P470 HydrophobicContact CD1-CG 3.93Å; F203-P470 HydrophobicContact CD2-CG 3.73Å; F203-P470 HydrophobicContact CE1-CG 4.2Å; F203-P470 HydrophobicContact CE2-CG 4.01Å; F203-P470 HydrophobicContact CG-CG 3.69Å; F203-P470 HydrophobicContact CZ-CG 4.23Å; P470-K472 PolarHBondContact O-N 3.36Å; P470-Y473 HydrophobicContact CG-CD2 3.76Å; P470-Y473 HydrophobicContact CG-CG 4.45Å; P470-Y473 CarbonylContact O-C 3.49Å; P470-Y473 PolarHBondContact O-N 3.33Å; P470-Q474 WeakPolarHBondContact O-CA 3.08Å; P470-Q474 PolarHBondContact O-N 2.81Å | ||
| 471 | K | 95.6 | Very high | 96.8 | Very high | 191 Ų | 191 | 54.7 Ų | 54.7 | 83% | 0.83 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -44.1 | -42.5 | -176.9 | -71.2 | -177.8 | 179.1 | 179.3 | 0 | 114.2 | Y473 Q474 | K471-Y473 VanDerWaalsContact C-N 3.3Å; K471-Y473 PolarHBondContact O-N 3.12Å; K471-Q474 PolarHBondContact O-N 3.22Å |
| 472 | K | 94.5 | Very high | 96.4 | Very high | 131 Ų | 131 | 57.8 Ų | 57.8 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -59.5 | -36.5 | 179.3 | -175.1 | -174.3 | 175.1 | -163.9 | 0 | 113.2 | P470 | P470-K472 PolarHBondContact O-N 3.36Š|
| 473 | Y | 96.2 | Very high | 95.9 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -110.7 | 6.4 | -177.3 | -55.5 | -45.9 | 0 | 0 | 0 | 112.6 | P200 F203 V461 P470 K471 K475 F476 | P200-Y473 HydrophobicContact CB-CD1 4.26Å; P200-Y473 HydrophobicContact CB-CD2 3.8Å; P200-Y473 HydrophobicContact CB-CE1 4.28Å; P200-Y473 HydrophobicContact CB-CE2 3.81Å; P200-Y473 HydrophobicContact CB-CG 4.04Å; F203-Y473 HydrophobicContact CD2-CD2 4.25Å; F203-Y473 HydrophobicContact CD2-CE2 4.39Å; V461-Y473 VanDerWaalsContact CG2-O 3.24Å; V461-Y473 WeakPolarHBondContact CG2-O 3.44Å; P470-Y473 HydrophobicContact CG-CD2 3.76Å; P470-Y473 HydrophobicContact CG-CG 4.45Å; P470-Y473 CarbonylContact O-C 3.49Å; P470-Y473 PolarHBondContact O-N 3.33Å; K471-Y473 VanDerWaalsContact C-N 3.3Å; K471-Y473 PolarHBondContact O-N 3.12Å; Y473-K475 VanDerWaalsContact C-N 3.26Å; Y473-K475 PolarHBondContact O-N 3.25Å; Y473-K475 VanDerWaalsContact O-N 3.14Å; Y473-F476 WeakPolarHBondContact CA-O 3.28Å; Y473-F476 PolarHBondContact O-N 3.17Å |
| 474 | Q | 95.6 | Very high | 95.3 | Very high | 71 Ų | 71 | 65.5 Ų | 65.5 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -56.6 | -39.8 | -165.8 | 172.8 | 160.5 | 64.5 | 0 | 0 | 113 | K466 P470 K471 | K466-Q474 WeakPolarHBondContact CA-O 3.47Å; K466-Q474 HydrophobicContact CB-CG 4.22Å; K466-Q474 WeakPolarHBondContact CB-O 3.22Å; K466-Q474 VanDerWaalsContact CG-O 3.25Å; K466-Q474 WeakPolarHBondContact CG-O 3.4Å; K466-Q474 WeakPolarHBondContact O-CG 3.41Å; K466-Q474 PolarHBondContact O-NE2 2.8Å; P470-Q474 WeakPolarHBondContact O-CA 3.08Å; P470-Q474 PolarHBondContact O-N 2.81Å; K471-Q474 PolarHBondContact O-N 3.22Å |
| 475 | K | 95.1 | Very high | 94.4 | Very high | 124 Ų | 124 | 69 Ų | 69 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -110.9 | -24.2 | -179.6 | -54.6 | -175.9 | 179 | -177.2 | 0 | 113.2 | V461 Y473 I490 | V461-K475 PolarHBondContact N-O 3.22Å; Y473-K475 VanDerWaalsContact C-N 3.26Å; Y473-K475 PolarHBondContact O-N 3.25Å; Y473-K475 VanDerWaalsContact O-N 3.14Å; K475-I490 HydrophobicContact CB-CD1 3.46Å; K475-I490 VanDerWaalsContact CB-CD1 3.46Å; K475-I490 HydrophobicContact CD-CD1 4.34Å |
| 476 | F | 96.5 | Very high | 93 | Very high | 5 Ų | 5 | 73.1 Ų | 73.1 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 134.3 | -170.3 | -169 | -108.1 | 0 | 0 | 0 | 110.8 | T455 H457 I459 I460 Y473 P478 I486 P487 I490 | T455-F476 HydrophobicContact CG2-CE2 4.14Å; H457-F476 HydrophobicContact CB-CZ 4.23Å; I459-F476 CarbonylContact O-C 3.57Å; I459-F476 WeakPolarHBondContact O-CA 3.32Å; I459-F476 VanDerWaalsContact O-CD2 3.28Å; I459-F476 WeakPolarHBondContact O-CD2 3.24Å; I460-F476 HydrophobicContact CG1-CD2 4.07Å; I460-F476 HydrophobicContact CG1-CE2 4.25Å; Y473-F476 WeakPolarHBondContact CA-O 3.28Å; Y473-F476 PolarHBondContact O-N 3.17Å; F476-P478 HydrophobicContact CD1-CB 4.2Å; F476-P478 HydrophobicContact CE1-CB 4.03Å; F476-I486 HydrophobicContact CB-CG2 4.31Å; F476-I486 HydrophobicContact CD1-CG1 4.26Å; F476-I486 HydrophobicContact CD1-CG2 4.4Å; F476-P487 HydrophobicContact CD2-CG 4.45Å; F476-P487 HydrophobicContact CE2-CG 4.24Å; F476-P487 HydrophobicContact CZ-CG 4.43Å; F476-I490 HydrophobicContact CB-CD1 4.12Å |
| 477 | I | 97.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 102.9 | 171.5 | -59.4 | 165.7 | 0 | 0 | 0 | 106.9 | V178 P200 L204 G458 I459 V461 M469 | V178-I477 HydrophobicContact CB-CG2 3.72Å; V178-I477 HydrophobicContact CG1-CG2 3.81Å; P200-I477 HydrophobicContact CB-CB 4.43Å; P200-I477 HydrophobicContact CB-CD1 4.19Å; P200-I477 HydrophobicContact CB-CG1 4.1Å; P200-I477 HydrophobicContact CB-CG2 3.48Å; P200-I477 VanDerWaalsContact CB-CG2 3.48Å; P200-I477 HydrophobicContact CG-CG2 3.58Å; L204-I477 HydrophobicContact CD2-CD1 4.45Å; G458-I477 CarbonylContact C-O 3.57Å; G458-I477 WeakPolarHBondContact CA-O 3.44Å; I459-I477 HydrophobicContact CB-CB 4.29Å; I459-I477 PolarHBondContact N-O 3.39Å; I459-I477 PolarHBondContact O-N 3.26Å; V461-I477 HydrophobicContact CG2-CD1 4.08Å; V461-I477 HydrophobicContact CG2-CG1 3.91Å; M469-I477 HydrophobicContact CE-CD1 4.03Å; M469-I477 HydrophobicContact CE-CG1 4.33Å |
| 478 | P | 97.1 | Very high | 89.7 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 8% | 0.078 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 150.4 | -178.9 | 29.7 | -34.5 | 0 | 0 | 0 | 111.3 | F476 E483 | F476-P478 HydrophobicContact CD1-CB 4.2Å; F476-P478 HydrophobicContact CE1-CB 4.03Å; P478-E483 HydrophobicContact CG-CG 4.26Å |
| 479 | F | 97.4 | Very high | 87.9 | Confident | 5 Ų | 5 | 78.7 Ų | 78.7 | 2% | 0.022 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 152 | 162.4 | -60.9 | -35.1 | 0 | 0 | 0 | 110.2 | L169 L174 M177 V178 T455 H457 G458 I459 G481 H482 | L169-F479 HydrophobicContact CD1-CZ 4.5Å; L174-F479 HydrophobicContact CD2-CE1 3.81Å; L174-F479 HydrophobicContact CD2-CZ 3.68Å; M177-F479 HydrophobicContact CB-CB 4.47Å; M177-F479 HydrophobicContact CB-CD1 3.56Å; M177-F479 HydrophobicContact CB-CE1 3.95Å; M177-F479 HydrophobicContact CB-CG 4.05Å; M177-F479 HydrophobicContact CE-CD1 4.27Å; M177-F479 HydrophobicContact CE-CD2 3.57Å; M177-F479 HydrophobicContact CE-CE1 4.28Å; M177-F479 HydrophobicContact CE-CE2 3.58Å; M177-F479 HydrophobicContact CE-CG 3.95Å; M177-F479 HydrophobicContact CE-CZ 3.96Å; M177-F479 CarbonylContact O-C 3.47Å; M177-F479 VanDerWaalsContact O-CA 3.22Å; M177-F479 WeakPolarHBondContact O-CA 3.49Å; V178-F479 HydrophobicContact CG1-CD1 3.74Å; V178-F479 HydrophobicContact CG1-CE1 3.9Å; T455-F479 WeakPolarHBondContact O-CE2 3.45Å; H457-F479 PolarHBondContact O-N 3.04Å; G458-F479 VanDerWaalsContact N-CD2 3.29Å; I459-F479 HydrophobicContact CD1-CE1 4.02Å; I459-F479 HydrophobicContact CD1-CZ 4.37Å; I459-F479 HydrophobicContact CG1-CE1 4.34Å; F479-G481 PolarHBondContact O-N 3.49Å; F479-H482 HydrophobicContact CB-CB 4.34Å; F479-H482 WeakPolarHBondContact O-CA 3.47Å; F479-H482 WeakPolarHBondContact O-CB 3.31Å; F479-H482 PolarHBondContact O-N 3.34Å |
| 480 | K | 94.3 | Very high | 85.7 | Confident | 145 Ų | 145 | 79.3 Ų | 79.3 | 63% | 0.63 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 124.7 | 176.6 | -175.2 | 178 | -179 | 176.3 | 0 | 110.1 | M177 H482 | M177-K480 PolarHBondContact O-N 3.03Å; K480-H482 VanDerWaalsContact C-N 3.34Å |
| 481 | G | 92.8 | Very high | 83.6 | Confident | 62 Ų | 62 | 84.5 Ų | 84.5 | 64% | 0.639 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F479 E483 | F479-G481 PolarHBondContact O-N 3.49Å; G481-E483 WeakPolarHBondContact CA-OE2 3.4Å; G481-E483 PolarHBondContact N-OE1 2.82Å; G481-E483 VanDerWaalsContact N-OE1 3.15Å; G481-E483 PolarHBondContact N-OE2 2.84Å |
| 482 | H | 90.8 | Very high | 81.1 | Confident | 67 Ų | 67 | 82 Ų | 82 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | trans | -113.5 | 20.4 | 176.5 | -68.5 | -105.1 | 0 | 0 | 0 | 112.4 | H457 F479 K480 D484 K485 | H457-H482 HydrophobicContact CB-CB 4.31Å; H457-H482 AromaticContact CG-ND1 3.86Å; H457-H482 AromaticContact ND1-CE1 3.77Å; H457-H482 AromaticContact ND1-ND1 3.35Å; H457-H482 PolarHBondContact ND1-ND1 3.09Å; F479-H482 HydrophobicContact CB-CB 4.34Å; F479-H482 WeakPolarHBondContact O-CA 3.47Å; F479-H482 WeakPolarHBondContact O-CB 3.31Å; F479-H482 PolarHBondContact O-N 3.34Å; K480-H482 VanDerWaalsContact C-N 3.34Å; H482-D484 PolarHBondContact O-N 3.17Å; H482-D484 VanDerWaalsContact O-N 3.15Å; H482-K485 HydrophobicContact CB-CB 4.26Å; H482-K485 HydrophobicContact CB-CG 4.39Å; H482-K485 WeakPolarHBondContact O-CB 3.41Å; H482-K485 PolarHBondContact O-N 2.88Å | ||
| 483 | E | 87.2 | Confident | 78.9 | Confident | 82 Ų | 82 | 78.3 Ų | 78.3 | 38% | 0.383 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.1 | -176.9 | -63 | 81.6 | 178.7 | 0 | 0 | 112.9 | P478 G481 I486 | P478-E483 HydrophobicContact CG-CG 4.26Å; G481-E483 WeakPolarHBondContact CA-OE2 3.4Å; G481-E483 PolarHBondContact N-OE1 2.82Å; G481-E483 VanDerWaalsContact N-OE1 3.15Å; G481-E483 PolarHBondContact N-OE2 2.84Å; E483-I486 WeakPolarHBondContact O-CG1 3.24Å |
| 484 | D | 83.6 | Confident | 76.4 | Confident | 161 Ų | 161 | 81.4 Ų | 81.4 | 86% | 0.861 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.9 | 176.5 | -60.9 | -34.4 | 0 | 0 | 0 | 113.6 | H482 | H482-D484 PolarHBondContact O-N 3.17Å; H482-D484 VanDerWaalsContact O-N 3.15Å |
| 485 | K | 79.7 | Confident | 73.8 | Confident | 124 Ų | 124 | 86.2 Ų | 86.2 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | trans | -101.8 | 26.2 | -175.9 | -59.6 | -64 | -176 | -178.4 | 0 | 113.3 | H457 H482 P487 | H457-K485 HydrophobicContact CB-CB 4.09Å; H482-K485 HydrophobicContact CB-CB 4.26Å; H482-K485 HydrophobicContact CB-CG 4.39Å; H482-K485 WeakPolarHBondContact O-CB 3.41Å; H482-K485 PolarHBondContact O-N 2.88Å; K485-P487 WeakPolarHBondContact O-CD 3.36Å | ||
| 486 | I | 70.5 | Confident | 71.3 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 44% | 0.441 | 45% | 0.449 | S | S | . | . | trans | -63.7 | 124.6 | 177.1 | -57.9 | 170.8 | 0 | 0 | 0 | 108.7 | F476 E483 I488 | F476-I486 HydrophobicContact CB-CG2 4.31Å; F476-I486 HydrophobicContact CD1-CG1 4.26Å; F476-I486 HydrophobicContact CD1-CG2 4.4Å; E483-I486 WeakPolarHBondContact O-CG1 3.24Å; I486-I488 PolarHBondContact O-N 3.39Å | ||
| 487 | P | 67.1 | Low | 68.6 | Low | 46 Ų | 46 | 87 Ų | 87 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | trans | -56.9 | 131 | 178.8 | -23 | 31.9 | 0 | 0 | 0 | 111.7 | F476 K485 S489 I490 | F476-P487 HydrophobicContact CD2-CG 4.45Å; F476-P487 HydrophobicContact CE2-CG 4.24Å; F476-P487 HydrophobicContact CZ-CG 4.43Å; K485-P487 WeakPolarHBondContact O-CD 3.36Å; P487-S489 WeakPolarHBondContact CB-O 3.25Å; P487-S489 PolarHBondContact O-N 3.21Å; P487-I490 HydrophobicContact CB-CG1 4.06Å; P487-I490 HydrophobicContact CG-CG1 4.43Å | ||
| 488 | I | 58.8 | Low | 65.5 | Low | 187 Ų | 187 | 93.3 Ų | 93.3 | 96% | 0.959 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -64.8 | -30.7 | 179.4 | -61.3 | 172.1 | 0 | 0 | 0 | 110.9 | I486 | I486-I488 PolarHBondContact O-N 3.39Š|
| 489 | S | 59.4 | Low | 62.4 | Low | 71 Ų | 71 | 97.1 Ų | 97.1 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | trans | -129.5 | 132.7 | 166.4 | 64.7 | 0 | 0 | 0 | 0 | 110 | P487 | P487-S489 WeakPolarHBondContact CB-O 3.25Å; P487-S489 PolarHBondContact O-N 3.21Å | ||
| 490 | I | 53.5 | Low | 59.3 | Low | 21 Ų | 21 | 101.4 Ų | 101.4 | 11% | 0.108 | 55% | 0.55 | C | S | . | * | trans | -101.6 | 2.5 | 176.1 | -64.5 | 164.9 | 0 | 0 | 0 | 110.1 | I460 K475 F476 P487 N492 | I460-I490 HydrophobicContact CB-CG2 4.44Å; I460-I490 HydrophobicContact CD1-CG2 4.18Å; I460-I490 HydrophobicContact CG1-CG2 4.05Å; I460-I490 HydrophobicContact CG2-CG2 3.6Å; K475-I490 HydrophobicContact CB-CD1 3.46Å; K475-I490 VanDerWaalsContact CB-CD1 3.46Å; K475-I490 HydrophobicContact CD-CD1 4.34Å; F476-I490 HydrophobicContact CB-CD1 4.12Å; P487-I490 HydrophobicContact CB-CG1 4.06Å; P487-I490 HydrophobicContact CG-CG1 4.43Å; I490-N492 PolarHBondContact O-N 3.3Å | ||
| 491 | D | 51.6 | Low | 56.4 | Low | 149 Ų | 149 | 98.2 Ų | 98.2 | 80% | 0.797 | 55% | 0.546 | S | S | * | . | trans | -70.4 | -3.9 | -175.3 | -57.5 | -30.4 | 0 | 0 | 0 | 113.6 | ||||
| 492 | N | 43.3 | Very low | 53.5 | Low | 138 Ų | 138 | 103.3 Ų | 103.3 | 74% | 0.738 | 56% | 0.559 | S | S | * | * | trans | -100.1 | 57.7 | 172.3 | -70.8 | -19.4 | 0 | 0 | 0 | 111.5 | I490 | I490-N492 PolarHBondContact O-N 3.3Š| ||
| 493 | V | 48.3 | Very low | 50.9 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.327 | 57% | 0.567 | S | S | . | * | trans | -69.6 | 127.4 | 156.2 | -177.7 | 0 | 0 | 0 | 0 | 105.6 | I460 E495 | I460-V493 HydrophobicContact CD1-CG2 4.26Å; I460-V493 HydrophobicContact CG2-CG2 4.29Å; V493-E495 PolarHBondContact O-N 3.44Å | ||
| 494 | P | 43.6 | Very low | 48.4 | Very low | 99 Ų | 99 | 107.7 Ų | 107.7 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | trans | -54.9 | 115.6 | 169.1 | -16.8 | 28 | 0 | 0 | 0 | 106.2 | T496 | P494-T496 PolarHBondContact O-N 3.02Š| ||
| 495 | E | 42.2 | Very low | 46.1 | Very low | 172 Ų | 172 | 107 Ų | 107 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | trans | -49.3 | 109.9 | 172.8 | -74.7 | 178.7 | 162.1 | 0 | 0 | 106.5 | V493 I497 | V493-E495 PolarHBondContact O-N 3.44Å; E495-I497 WeakPolarHBondContact O-CG1 3.22Å; E495-I497 PolarHBondContact O-N 3.22Å | ||
| 496 | T | 42.9 | Very low | 44.1 | Very low | 53 Ų | 53 | 108.8 Ų | 108.8 | 33% | 0.325 | 59% | 0.586 | S | S | . | * | trans | -55.5 | 95.9 | 150.9 | 25.7 | 0 | 0 | 0 | 0 | 103.8 | P367 P494 Y498 | P367-T496 HydrophobicContact CG-CG2 4.26Å; P494-T496 PolarHBondContact O-N 3.02Å; T496-Y498 PolarHBondContact O-N 3.05Å | ||
| 497 | I | 39.6 | Very low | 42.5 | Very low | 91 Ų | 91 | 109.9 Ų | 109.9 | 47% | 0.467 | 59% | 0.593 | S | S | . | * | trans | -53.3 | 109.8 | -176.4 | -57.2 | -168.6 | 0 | 0 | 0 | 106.1 | K162 E495 S499 | K162-I497 HydrophobicContact CD-CB 4.21Å; K162-I497 HydrophobicContact CD-CG1 4.44Å; K162-I497 VanDerWaalsContact NZ-CD1 3.25Å; E495-I497 WeakPolarHBondContact O-CG1 3.22Å; E495-I497 PolarHBondContact O-N 3.22Å; I497-S499 PolarHBondContact O-N 2.87Å; I497-S499 VanDerWaalsContact O-N 3.16Å | ||
| 498 | Y | 31.3 | Very low | 41.6 | Very low | 134 Ų | 134 | 112 Ų | 112 | 53% | 0.525 | 60% | 0.599 | S | S | . | * | trans | -63.5 | 112 | 173.5 | 179.9 | -99.4 | 0 | 0 | 0 | 106.9 | F160 T496 P500 | F160-Y498 HydrophobicContact CE2-CD2 4.21Å; F160-Y498 HydrophobicContact CE2-CE2 4Å; F160-Y498 HydrophobicContact CZ-CD2 4.49Å; T496-Y498 PolarHBondContact O-N 3.05Å; Y498-P500 HydrophobicContact CD1-CB 4.33Å; Y498-P500 HydrophobicContact CD1-CG 4.29Å; Y498-P500 HydrophobicContact CE1-CB 3.65Å; Y498-P500 HydrophobicContact CE1-CG 4.01Å; Y498-P500 WeakPolarHBondContact O-CD 3.49Å | ||
| 499 | S | 33.5 | Very low | 41.1 | Very low | 93 Ų | 93 | 107.5 Ų | 107.5 | 65% | 0.65 | 58% | 0.58 | S | S | * | * | trans | -101.4 | 106.4 | 166.8 | -162 | 0 | 0 | 0 | 0 | 106.4 | I497 S501 | I497-S499 PolarHBondContact O-N 2.87Å; I497-S499 VanDerWaalsContact O-N 3.16Å; S499-S501 VanDerWaalsContact C-N 3.33Å; S499-S501 PolarHBondContact O-N 3.35Å | ||
| 500 | P | 30.9 | Very low | 40.7 | Very low | 95 Ų | 95 | 107.4 Ų | 107.4 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | trans | -67.9 | 94.4 | 174.5 | 23.8 | -27.1 | 0 | 0 | 0 | 108.8 | Y498 | Y498-P500 HydrophobicContact CD1-CB 4.33Å; Y498-P500 HydrophobicContact CD1-CG 4.29Å; Y498-P500 HydrophobicContact CE1-CB 3.65Å; Y498-P500 HydrophobicContact CE1-CG 4.01Å; Y498-P500 WeakPolarHBondContact O-CD 3.49Å | ||
| 501 | S | 34 | Very low | 40.4 | Very low | 78 Ų | 78 | 112.2 Ų | 112.2 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | trans | -92.3 | 104.2 | 161.5 | 55.7 | 0 | 0 | 0 | 0 | 108.2 | S499 A503 | S499-S501 VanDerWaalsContact C-N 3.33Å; S499-S501 PolarHBondContact O-N 3.35Å; S501-A503 PolarHBondContact O-N 3.25Å | ||
| 502 | N | 32.8 | Very low | 40.5 | Very low | 168 Ų | 168 | 110.6 Ų | 110.6 | 90% | 0.898 | 59% | 0.591 | S | S | * | * | trans | 32.2 | 46.3 | 159.8 | -71.5 | -14.2 | 0 | 0 | 0 | 117.2 | K504 | N502-K504 PolarHBondContact O-N 2.99Å; N502-K504 VanDerWaalsContact O-N 3.08Å | ||
| 503 | A | 36.1 | Very low | 41.4 | Very low | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | trans | -73.2 | 100.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | S501 F505 | S501-A503 PolarHBondContact O-N 3.25Å; A503-F505 HydrophobicContact CB-CD2 4.07Å; A503-F505 HydrophobicContact CB-CE2 3.95Å; A503-F505 PolarHBondContact O-N 3.13Å | ||
| 504 | K | 32.9 | Very low | 41.8 | Very low | 183 Ų | 183 | 111 Ų | 111 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | trans | -58.6 | 91.4 | 153.7 | -77.9 | -178.3 | 178.7 | 176.8 | 0 | 105.1 | N502 H506 | N502-K504 PolarHBondContact O-N 2.99Å; N502-K504 VanDerWaalsContact O-N 3.08Å; K504-H506 PolarHBondContact O-N 2.97Å | ||
| 505 | F | 35.3 | Very low | 42.5 | Very low | 148 Ų | 148 | 109.1 Ų | 109.1 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | trans | -60.2 | 99.7 | 160.3 | -79.9 | -86.8 | 0 | 0 | 0 | 105 | A503 D507 | A503-F505 HydrophobicContact CB-CD2 4.07Å; A503-F505 HydrophobicContact CB-CE2 3.95Å; A503-F505 PolarHBondContact O-N 3.13Å; F505-D507 PolarHBondContact O-N 3.49Å | ||
| 506 | H | 37.7 | Very low | 43.6 | Very low | 160 Ų | 160 | 107.9 Ų | 107.9 | 74% | 0.741 | 57% | 0.566 | S | S | * | * | trans | -65.5 | 92.9 | 150.8 | -77 | -80.5 | 0 | 0 | 0 | 104.3 | K504 E508 | K504-H506 PolarHBondContact O-N 2.97Å; H506-E508 VanDerWaalsContact C-N 3.31Å; H506-E508 PolarHBondContact O-N 3.5Å | ||
| 507 | D | 38.1 | Very low | 44.6 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | trans | -56.8 | 97.2 | 170.7 | -163 | -11.1 | 0 | 0 | 0 | 106.4 | F505 T509 S510 | F505-D507 PolarHBondContact O-N 3.49Å; D507-T509 PolarHBondContact O-N 3.17Å; D507-T509 WeakPolarHBondContact OD1-CB 3.48Å; D507-T509 PolarHBondContact OD1-OG1 3.03Å; D507-S510 WeakPolarHBondContact O-CA 3.46Å; D507-S510 WeakPolarHBondContact O-CB 3.47Å; D507-S510 PolarHBondContact O-N 3.07Å | ||
| 508 | E | 48.6 | Very low | 45.5 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -13.1 | -175.1 | -81.2 | -177.8 | 165.4 | 0 | 0 | 112.7 | H352 H506 S510 F511 N512 | H352-E508 IonicContact CD2-OE1 3.86Å; H506-E508 VanDerWaalsContact C-N 3.31Å; H506-E508 PolarHBondContact O-N 3.5Å; E508-S510 PolarHBondContact O-N 3.04Å; E508-S510 VanDerWaalsContact O-N 3.11Å; E508-F511 PolarHBondContact O-N 3.09Å; E508-N512 PolarHBondContact O-N 2.87Å |
| 509 | T | 46.9 | Very low | 47 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -50.3 | -31 | 161.2 | -27.1 | 0 | 0 | 0 | 0 | 110.5 | D507 E513 | D507-T509 PolarHBondContact O-N 3.17Å; D507-T509 WeakPolarHBondContact OD1-CB 3.48Å; D507-T509 PolarHBondContact OD1-OG1 3.03Å; T509-E513 VanDerWaalsContact O-CB 3.3Å; T509-E513 WeakPolarHBondContact O-CB 3.38Å; T509-E513 WeakPolarHBondContact O-CG 3.42Å; T509-E513 PolarHBondContact O-N 3.44Å |
| 510 | S | 52.1 | Low | 48.6 | Very low | 68 Ų | 68 | 110.8 Ų | 110.8 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.1 | -38.3 | 171.6 | 179 | 0 | 0 | 0 | 0 | 114.1 | D507 E508 L514 | D507-S510 WeakPolarHBondContact O-CA 3.46Å; D507-S510 WeakPolarHBondContact O-CB 3.47Å; D507-S510 PolarHBondContact O-N 3.07Å; E508-S510 PolarHBondContact O-N 3.04Å; E508-S510 VanDerWaalsContact O-N 3.11Å; S510-L514 WeakPolarHBondContact O-CA 3.15Å; S510-L514 WeakPolarHBondContact O-CB 3.35Å; S510-L514 PolarHBondContact O-N 3.35Å |
| 511 | F | 47.4 | Very low | 49.4 | Very low | 122 Ų | 122 | 109.2 Ų | 109.2 | 54% | 0.535 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.6 | -43 | -169.1 | -172.9 | -99.4 | 0 | 0 | 0 | 111.9 | E508 L514 N515 | E508-F511 PolarHBondContact O-N 3.09Å; F511-L514 PolarHBondContact O-N 3.35Å; F511-N515 WeakPolarHBondContact CE1-ND2 3.5Å; F511-N515 WeakPolarHBondContact CZ-ND2 3.49Å; F511-N515 WeakPolarHBondContact O-CB 3.29Å; F511-N515 PolarHBondContact O-N 3.01Å |
| 512 | N | 53.2 | Low | 50.3 | Low | 115 Ų | 115 | 107.4 Ų | 107.4 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.4 | -40.8 | 175.5 | -72.5 | -23.9 | 0 | 0 | 0 | 111.5 | E508 L514 N515 E516 | E508-N512 PolarHBondContact O-N 2.87Å; N512-L514 VanDerWaalsContact C-N 3.33Å; N512-L514 PolarHBondContact O-N 3.27Å; N512-N515 PolarHBondContact O-N 3.39Å; N512-E516 WeakPolarHBondContact O-CB 3.49Å; N512-E516 PolarHBondContact O-N 2.88Å |
| 513 | E | 62.4 | Low | 51.2 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 171.5 | -80.8 | -170.3 | 162 | 0 | 0 | 112.5 | T509 R517 | T509-E513 VanDerWaalsContact O-CB 3.3Å; T509-E513 WeakPolarHBondContact O-CB 3.38Å; T509-E513 WeakPolarHBondContact O-CG 3.42Å; T509-E513 PolarHBondContact O-N 3.44Å; E513-R517 WeakPolarHBondContact O-CB 3.46Å; E513-R517 PolarHBondContact O-N 3.12Å |
| 514 | L | 57 | Low | 52 | Low | 89 Ų | 89 | 103.8 Ų | 103.8 | 47% | 0.466 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.7 | -44.8 | 176.9 | -162.6 | 93.4 | 0 | 0 | 0 | 110.1 | S510 F511 N512 R517 I518 | S510-L514 WeakPolarHBondContact O-CA 3.15Å; S510-L514 WeakPolarHBondContact O-CB 3.35Å; S510-L514 PolarHBondContact O-N 3.35Å; F511-L514 PolarHBondContact O-N 3.35Å; N512-L514 VanDerWaalsContact C-N 3.33Å; N512-L514 PolarHBondContact O-N 3.27Å; L514-R517 PolarHBondContact O-N 3.23Å; L514-I518 HydrophobicContact CD2-CD1 3.87Å; L514-I518 HydrophobicContact CG-CD1 3.9Å; L514-I518 HydrophobicContact CG-CG1 4.47Å; L514-I518 VanDerWaalsContact O-CB 3.31Å; L514-I518 WeakPolarHBondContact O-CB 3.47Å; L514-I518 WeakPolarHBondContact O-CD1 3.46Å; L514-I518 WeakPolarHBondContact O-CG1 3.32Å; L514-I518 PolarHBondContact O-N 3.09Å |
| 515 | N | 57.3 | Low | 53.2 | Low | 59 Ų | 59 | 98.8 Ų | 98.8 | 32% | 0.316 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.7 | -82 | -21.8 | 0 | 0 | 0 | 112.3 | F511 N512 I518 N519 | F511-N515 WeakPolarHBondContact CE1-ND2 3.5Å; F511-N515 WeakPolarHBondContact CZ-ND2 3.49Å; F511-N515 WeakPolarHBondContact O-CB 3.29Å; F511-N515 PolarHBondContact O-N 3.01Å; N512-N515 PolarHBondContact O-N 3.39Å; N515-I518 PolarHBondContact O-N 3.26Å; N515-N519 WeakPolarHBondContact O-CB 3.43Å; N515-N519 VanDerWaalsContact O-CG 3.22Å; N515-N519 PolarHBondContact O-N 2.82Å; N515-N519 PolarHBondContact O-ND2 3.24Å |
| 516 | E | 65.8 | Low | 54.8 | Low | 145 Ų | 145 | 99.6 Ų | 99.6 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 173.3 | -77.5 | -167.4 | 165 | 0 | 0 | 111.9 | N512 N519 A520 | N512-E516 WeakPolarHBondContact O-CB 3.49Å; N512-E516 PolarHBondContact O-N 2.88Å; E516-N519 PolarHBondContact O-N 2.94Å; E516-A520 VanDerWaalsContact O-CB 3.24Å; E516-A520 WeakPolarHBondContact O-CB 3.23Å; E516-A520 PolarHBondContact O-N 3.37Å |
| 517 | R | 64.6 | Low | 56.4 | Low | 174 Ų | 174 | 95.9 Ų | 95.9 | 66% | 0.657 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 174.4 | -94.6 | 173.1 | 148.6 | 162.3 | -5 | 112.6 | E513 L514 A520 L521 | E513-R517 WeakPolarHBondContact O-CB 3.46Å; E513-R517 PolarHBondContact O-N 3.12Å; L514-R517 PolarHBondContact O-N 3.23Å; R517-A520 PolarHBondContact O-N 3.14Å; R517-L521 VanDerWaalsContact O-CB 3.22Å; R517-L521 WeakPolarHBondContact O-CB 3.46Å; R517-L521 WeakPolarHBondContact O-CD1 3.43Å; R517-L521 VanDerWaalsContact O-CG 3.25Å; R517-L521 WeakPolarHBondContact O-CG 3.43Å; R517-L521 PolarHBondContact O-N 3.36Å |
| 518 | I | 57.8 | Low | 57.9 | Low | 59 Ų | 59 | 91.1 Ų | 91.1 | 30% | 0.303 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 175.7 | -74 | 165.1 | 0 | 0 | 0 | 108 | L514 N515 A520 L521 T522 | L514-I518 HydrophobicContact CD2-CD1 3.87Å; L514-I518 HydrophobicContact CG-CD1 3.9Å; L514-I518 HydrophobicContact CG-CG1 4.47Å; L514-I518 VanDerWaalsContact O-CB 3.31Å; L514-I518 WeakPolarHBondContact O-CB 3.47Å; L514-I518 WeakPolarHBondContact O-CD1 3.46Å; L514-I518 WeakPolarHBondContact O-CG1 3.32Å; L514-I518 PolarHBondContact O-N 3.09Å; N515-I518 PolarHBondContact O-N 3.26Å; I518-A520 VanDerWaalsContact C-N 3.28Å; I518-A520 PolarHBondContact O-N 3.03Å; I518-L521 PolarHBondContact O-N 2.83Å; I518-L521 VanDerWaalsContact O-N 3.11Å; I518-T522 HydrophobicContact CG2-CG2 3.99Å; I518-T522 WeakPolarHBondContact O-CB 3.35Å; I518-T522 VanDerWaalsContact O-CG2 3.24Å; I518-T522 WeakPolarHBondContact O-CG2 3.38Å; I518-T522 PolarHBondContact O-N 3.4Å; I518-T522 PolarHBondContact O-OG1 3.04Å |
| 519 | N | 62.6 | Low | 58.8 | Low | 115 Ų | 115 | 91.3 Ų | 91.3 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.6 | -37.7 | 178.2 | -73.1 | -27.5 | 0 | 0 | 0 | 112.9 | N515 E516 T522 | N515-N519 WeakPolarHBondContact O-CB 3.43Å; N515-N519 VanDerWaalsContact O-CG 3.22Å; N515-N519 PolarHBondContact O-N 2.82Å; N515-N519 PolarHBondContact O-ND2 3.24Å; E516-N519 PolarHBondContact O-N 2.94Å; N519-T522 WeakPolarHBondContact CA-OG1 3.44Å; N519-T522 PolarHBondContact O-OG1 2.98Å |
| 520 | A | 66.2 | Low | 60 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.8 | -36.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E516 R517 I518 | E516-A520 VanDerWaalsContact O-CB 3.24Å; E516-A520 WeakPolarHBondContact O-CB 3.23Å; E516-A520 PolarHBondContact O-N 3.37Å; R517-A520 PolarHBondContact O-N 3.14Å; I518-A520 VanDerWaalsContact C-N 3.28Å; I518-A520 PolarHBondContact O-N 3.03Å |
| 521 | L | 49.5 | Very low | 60.9 | Low | 62 Ų | 62 | 92.6 Ų | 92.6 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.1 | -34.8 | 177.7 | -79 | 162.3 | 0 | 0 | 0 | 112.2 | R517 I518 G523 | R517-L521 VanDerWaalsContact O-CB 3.22Å; R517-L521 WeakPolarHBondContact O-CB 3.46Å; R517-L521 WeakPolarHBondContact O-CD1 3.43Å; R517-L521 VanDerWaalsContact O-CG 3.25Å; R517-L521 WeakPolarHBondContact O-CG 3.43Å; R517-L521 PolarHBondContact O-N 3.36Å; I518-L521 PolarHBondContact O-N 2.83Å; I518-L521 VanDerWaalsContact O-N 3.11Å; L521-G523 PolarHBondContact O-N 3.1Å |
| 522 | T | 52.5 | Low | 62 | Low | 40 Ų | 40 | 87.3 Ų | 87.3 | 25% | 0.245 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 9.6 | -176.6 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | I518 N519 A524 L529 A532 | I518-T522 HydrophobicContact CG2-CG2 3.99Å; I518-T522 WeakPolarHBondContact O-CB 3.35Å; I518-T522 VanDerWaalsContact O-CG2 3.24Å; I518-T522 WeakPolarHBondContact O-CG2 3.38Å; I518-T522 PolarHBondContact O-N 3.4Å; I518-T522 PolarHBondContact O-OG1 3.04Å; N519-T522 WeakPolarHBondContact CA-OG1 3.44Å; N519-T522 PolarHBondContact O-OG1 2.98Å; T522-A524 WeakPolarHBondContact O-CA 3.42Å; T522-A524 PolarHBondContact O-N 3.43Å; T522-L529 HydrophobicContact CG2-CD2 4.45Å; T522-A532 HydrophobicContact CG2-CB 4.47Å |
| 523 | G | 50.4 | Low | 63 | Low | 44 Ų | 44 | 86.8 Ų | 86.8 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -36.5 | 106.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L521 T525 | L521-G523 PolarHBondContact O-N 3.1Å; G523-T525 VanDerWaalsContact C-N 3.26Å; G523-T525 WeakPolarHBondContact O-CB 3.35Å; G523-T525 PolarHBondContact O-N 3.25Å; G523-T525 PolarHBondContact O-OG1 2.96Å |
| 524 | A | 52.8 | Low | 63.5 | Low | 106 Ų | 106 | 84.9 Ų | 84.9 | 88% | 0.876 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -50 | 76.5 | -145.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T522 | T522-A524 WeakPolarHBondContact O-CA 3.42Å; T522-A524 PolarHBondContact O-N 3.43Å |
| 525 | T | 58.3 | Low | 64.5 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -144.1 | 143.6 | -178.5 | 57.7 | 0 | 0 | 0 | 0 | 109 | G523 S527 G528 L529 | G523-T525 VanDerWaalsContact C-N 3.26Å; G523-T525 WeakPolarHBondContact O-CB 3.35Å; G523-T525 PolarHBondContact O-N 3.25Å; G523-T525 PolarHBondContact O-OG1 2.96Å; T525-S527 PolarHBondContact O-N 3.03Å; T525-G528 WeakPolarHBondContact O-CA 3.45Å; T525-G528 PolarHBondContact O-N 3.45Å; T525-L529 PolarHBondContact O-N 3.43Å |
| 526 | E | 69.3 | Low | 65.6 | Low | 166 Ų | 166 | 86.4 Ų | 86.4 | 78% | 0.776 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58 | -34.6 | -178.2 | -167.1 | 174.9 | -179 | 0 | 0 | 112.1 | L529 V530 | E526-L529 PolarHBondContact O-N 3.19Å; E526-V530 WeakPolarHBondContact O-CG2 3.49Å; E526-V530 PolarHBondContact O-N 3.29Å; E526-V530 VanDerWaalsContact O-N 3.12Å |
| 527 | S | 72.2 | Confident | 66.1 | Low | 82 Ų | 82 | 82.4 Ų | 82.4 | 57% | 0.573 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69 | -34 | 174.6 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | T525 V530 N531 | T525-S527 PolarHBondContact O-N 3.03Å; S527-V530 PolarHBondContact O-N 2.82Å; S527-N531 WeakPolarHBondContact O-CB 3.12Å; S527-N531 PolarHBondContact O-N 2.68Å |
| 528 | G | 68.3 | Low | 66.8 | Low | 8 Ų | 8 | 79 Ų | 79 | 8% | 0.082 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T525 N531 A532 | T525-G528 WeakPolarHBondContact O-CA 3.45Å; T525-G528 PolarHBondContact O-N 3.45Å; G528-N531 PolarHBondContact O-N 2.87Å; G528-A532 WeakPolarHBondContact O-CB 3.48Å; G528-A532 PolarHBondContact O-N 2.84Å |
| 529 | L | 68.3 | Low | 67.9 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 175.5 | -79.9 | 161.5 | 0 | 0 | 0 | 112.6 | T522 T525 E526 N531 A532 I533 | T522-L529 HydrophobicContact CG2-CD2 4.45Å; T525-L529 PolarHBondContact O-N 3.43Å; E526-L529 PolarHBondContact O-N 3.19Å; L529-N531 VanDerWaalsContact C-N 3.32Å; L529-N531 PolarHBondContact O-N 3.19Å; L529-A532 PolarHBondContact O-N 2.94Å; L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.45Å |
| 530 | V | 71.7 | Confident | 68.8 | Low | 92 Ų | 92 | 80 Ų | 80 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | E526 S527 S534 | E526-V530 WeakPolarHBondContact O-CG2 3.49Å; E526-V530 PolarHBondContact O-N 3.29Å; E526-V530 VanDerWaalsContact O-N 3.12Å; S527-V530 PolarHBondContact O-N 2.82Å; V530-S534 PolarHBondContact O-N 3.22Å; V530-S534 VanDerWaalsContact O-N 3.1Å |
| 531 | N | 72.1 | Confident | 69.6 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 51% | 0.513 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 176.2 | -82.3 | -17.6 | 0 | 0 | 0 | 112.4 | S527 G528 L529 S534 Q535 | S527-N531 WeakPolarHBondContact O-CB 3.12Å; S527-N531 PolarHBondContact O-N 2.68Å; G528-N531 PolarHBondContact O-N 2.87Å; L529-N531 VanDerWaalsContact C-N 3.32Å; L529-N531 PolarHBondContact O-N 3.19Å; N531-S534 PolarHBondContact O-N 2.84Å; N531-Q535 WeakPolarHBondContact O-CG 3.32Å; N531-Q535 PolarHBondContact O-N 3.28Å |
| 532 | A | 69.5 | Low | 71.1 | Confident | 10 Ų | 10 | 86.7 Ų | 86.7 | 8% | 0.083 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T522 G528 L529 S534 Q535 I536 | T522-A532 HydrophobicContact CG2-CB 4.47Å; G528-A532 WeakPolarHBondContact O-CB 3.48Å; G528-A532 PolarHBondContact O-N 2.84Å; L529-A532 PolarHBondContact O-N 2.94Å; A532-S534 VanDerWaalsContact C-N 3.31Å; A532-S534 PolarHBondContact O-N 2.86Å; A532-Q535 PolarHBondContact O-N 2.78Å; A532-I536 VanDerWaalsContact O-CG1 3.31Å; A532-I536 WeakPolarHBondContact O-CG1 3.47Å; A532-I536 PolarHBondContact O-N 2.87Å |
| 533 | I | 74.1 | Confident | 72.5 | Confident | 105 Ų | 105 | 89.2 Ų | 89.2 | 54% | 0.538 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -42.5 | 177.1 | -68.8 | 168 | 0 | 0 | 0 | 111.1 | L529 I536 S537 | L529-I533 WeakPolarHBondContact O-CG1 3.46Å; L529-I533 PolarHBondContact O-N 3.45Å; I533-I536 PolarHBondContact O-N 3.13Å; I533-S537 WeakPolarHBondContact O-CB 3.45Å; I533-S537 PolarHBondContact O-N 3.3Å; I533-S537 PolarHBondContact O-OG 3.01Å |
| 534 | S | 74.3 | Confident | 73.9 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 51% | 0.51 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 177 | -171.2 | 0 | 0 | 0 | 0 | 111.8 | V530 N531 A532 S537 E538 | V530-S534 PolarHBondContact O-N 3.22Å; V530-S534 VanDerWaalsContact O-N 3.1Å; N531-S534 PolarHBondContact O-N 2.84Å; A532-S534 VanDerWaalsContact C-N 3.31Å; A532-S534 PolarHBondContact O-N 2.86Å; S534-S537 PolarHBondContact O-N 3.4Å; S534-E538 PolarHBondContact O-N 2.85Å; S534-E538 VanDerWaalsContact O-N 3.09Å |
| 535 | Q | 77.1 | Confident | 75.2 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -42 | 178.6 | -71.5 | -179.8 | 18 | 0 | 0 | 112.6 | N531 A532 S537 E538 V539 | N531-Q535 WeakPolarHBondContact O-CG 3.32Å; N531-Q535 PolarHBondContact O-N 3.28Å; A532-Q535 PolarHBondContact O-N 2.78Å; Q535-S537 VanDerWaalsContact C-N 3.32Å; Q535-S537 PolarHBondContact O-N 3.24Å; Q535-E538 PolarHBondContact O-N 2.97Å; Q535-V539 WeakPolarHBondContact O-CG2 3.45Å; Q535-V539 PolarHBondContact O-N 3.29Å |
| 536 | I | 79.4 | Confident | 76.2 | Confident | 87 Ų | 87 | 95 Ų | 95 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.3 | -69.4 | 167.1 | 0 | 0 | 0 | 110.5 | A532 I533 E538 V539 Q540 | A532-I536 VanDerWaalsContact O-CG1 3.31Å; A532-I536 WeakPolarHBondContact O-CG1 3.47Å; A532-I536 PolarHBondContact O-N 2.87Å; I533-I536 PolarHBondContact O-N 3.13Å; I536-E538 VanDerWaalsContact C-N 3.3Å; I536-E538 PolarHBondContact O-N 3.46Å; I536-V539 PolarHBondContact O-N 3.35Å; I536-Q540 PolarHBondContact O-N 2.99Å |
| 537 | S | 76.5 | Confident | 76.6 | Confident | 60 Ų | 60 | 92 Ų | 92 | 42% | 0.42 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 112 | I533 S534 Q535 K541 | I533-S537 WeakPolarHBondContact O-CB 3.45Å; I533-S537 PolarHBondContact O-N 3.3Å; I533-S537 PolarHBondContact O-OG 3.01Å; S534-S537 PolarHBondContact O-N 3.4Å; Q535-S537 VanDerWaalsContact C-N 3.32Å; Q535-S537 PolarHBondContact O-N 3.24Å; S537-K541 WeakPolarHBondContact O-CB 3.38Å; S537-K541 PolarHBondContact O-N 3.38Å |
| 538 | E | 79.7 | Confident | 76.6 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 176.8 | -160.2 | -175.6 | 157.4 | 0 | 0 | 112.3 | S534 Q535 I536 K541 R542 | S534-E538 PolarHBondContact O-N 2.85Å; S534-E538 VanDerWaalsContact O-N 3.09Å; Q535-E538 PolarHBondContact O-N 2.97Å; I536-E538 VanDerWaalsContact C-N 3.3Å; I536-E538 PolarHBondContact O-N 3.46Å; E538-K541 PolarHBondContact O-N 3.31Å; E538-R542 WeakPolarHBondContact O-CG 3.39Å; E538-R542 PolarHBondContact O-N 2.91Å; E538-R542 IonicContact OE1-CZ 2.73Å; E538-R542 IonicContact OE1-NE 3.12Å; E538-R542 IonicContact OE1-NH2 3.76Å; E538-R542 PolarHBondContact OE1-NH2 3.47Å |
| 539 | V | 80.9 | Confident | 76.9 | Confident | 84 Ų | 84 | 95.6 Ų | 95.6 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 174.8 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | Q535 I536 K541 R542 I543 | Q535-V539 WeakPolarHBondContact O-CG2 3.45Å; Q535-V539 PolarHBondContact O-N 3.29Å; I536-V539 PolarHBondContact O-N 3.35Å; V539-K541 VanDerWaalsContact C-N 3.32Å; V539-K541 PolarHBondContact O-N 3.4Å; V539-R542 PolarHBondContact O-N 3.31Å; V539-I543 HydrophobicContact CG1-CD1 3.9Å; V539-I543 HydrophobicContact CG1-CG1 4.48Å; V539-I543 WeakPolarHBondContact O-CG1 3.21Å; V539-I543 PolarHBondContact O-N 2.96Å |
| 540 | Q | 81.4 | Confident | 76.6 | Confident | 113 Ų | 113 | 96.3 Ų | 96.3 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.3 | -47.2 | 174.9 | -81.3 | -177.8 | -34.2 | 0 | 0 | 111.3 | I536 R542 I543 E544 | I536-Q540 PolarHBondContact O-N 2.99Å; Q540-R542 VanDerWaalsContact C-N 3.35Å; Q540-R542 PolarHBondContact O-N 3.02Å; Q540-I543 WeakPolarHBondContact O-CB 3.49Å; Q540-I543 PolarHBondContact O-N 3.05Å; Q540-I543 VanDerWaalsContact O-N 3.11Å; Q540-E544 PolarHBondContact O-N 3.07Å |
| 541 | K | 82.8 | Confident | 76.1 | Confident | 130 Ų | 130 | 95 Ų | 95 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 177.1 | -170.7 | 175.8 | -179.4 | 178.4 | 0 | 112.7 | S537 E538 V539 I543 E544 D545 | S537-K541 WeakPolarHBondContact O-CB 3.38Å; S537-K541 PolarHBondContact O-N 3.38Å; E538-K541 PolarHBondContact O-N 3.31Å; V539-K541 VanDerWaalsContact C-N 3.32Å; V539-K541 PolarHBondContact O-N 3.4Å; K541-I543 VanDerWaalsContact C-N 3.32Å; K541-I543 PolarHBondContact O-N 3.45Å; K541-E544 PolarHBondContact O-N 3.48Å; K541-D545 WeakPolarHBondContact O-CB 3.45Å; K541-D545 VanDerWaalsContact O-CG 3.29Å; K541-D545 PolarHBondContact O-N 3.12Å |
| 542 | R | 82 | Confident | 75.1 | Confident | 157 Ų | 157 | 95.8 Ų | 95.8 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.3 | -34.4 | 176 | -75 | -178.9 | -171.1 | -173.7 | 7.9 | 112.9 | E538 V539 Q540 K546 | E538-R542 WeakPolarHBondContact O-CG 3.39Å; E538-R542 PolarHBondContact O-N 2.91Å; E538-R542 IonicContact OE1-CZ 2.73Å; E538-R542 IonicContact OE1-NE 3.12Å; E538-R542 IonicContact OE1-NH2 3.76Å; E538-R542 PolarHBondContact OE1-NH2 3.47Å; V539-R542 PolarHBondContact O-N 3.31Å; Q540-R542 VanDerWaalsContact C-N 3.35Å; Q540-R542 PolarHBondContact O-N 3.02Å; R542-K546 WeakPolarHBondContact O-CB 3.46Å; R542-K546 WeakPolarHBondContact O-CG 3.48Å; R542-K546 PolarHBondContact O-N 2.98Å |
| 543 | I | 81.6 | Confident | 73.8 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.9 | -46.4 | 175.4 | -69.1 | 168.7 | 0 | 0 | 0 | 109.6 | V539 Q540 K541 K546 L547 | V539-I543 HydrophobicContact CG1-CD1 3.9Å; V539-I543 HydrophobicContact CG1-CG1 4.48Å; V539-I543 WeakPolarHBondContact O-CG1 3.21Å; V539-I543 PolarHBondContact O-N 2.96Å; Q540-I543 WeakPolarHBondContact O-CB 3.49Å; Q540-I543 PolarHBondContact O-N 3.05Å; Q540-I543 VanDerWaalsContact O-N 3.11Å; K541-I543 VanDerWaalsContact C-N 3.32Å; K541-I543 PolarHBondContact O-N 3.45Å; I543-K546 PolarHBondContact O-N 3.25Å; I543-L547 HydrophobicContact CG2-CD1 3.88Å; I543-L547 HydrophobicContact CG2-CG 4.4Å; I543-L547 WeakPolarHBondContact O-CB 3.39Å; I543-L547 WeakPolarHBondContact O-CG 3.15Å; I543-L547 PolarHBondContact O-N 3.09Å |
| 544 | E | 80.3 | Confident | 72.2 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.4 | -73.5 | 178.4 | 177.1 | 0 | 0 | 112 | Q540 K541 K546 L547 N548 | Q540-E544 PolarHBondContact O-N 3.07Å; K541-E544 PolarHBondContact O-N 3.48Å; E544-K546 VanDerWaalsContact C-N 3.33Å; E544-K546 PolarHBondContact O-N 3.13Å; E544-L547 PolarHBondContact O-N 3.48Å; E544-N548 WeakPolarHBondContact O-CB 3.19Å; E544-N548 VanDerWaalsContact O-CG 3.32Å; E544-N548 PolarHBondContact O-N 3.4Å; E544-N548 PolarHBondContact O-ND2 3.38Å |
| 545 | D | 80.7 | Confident | 70.6 | Confident | 84 Ų | 84 | 102.1 Ų | 102.1 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.8 | -74.3 | -21.6 | 0 | 0 | 0 | 111.6 | K541 T549 | K541-D545 WeakPolarHBondContact O-CB 3.45Å; K541-D545 VanDerWaalsContact O-CG 3.29Å; K541-D545 PolarHBondContact O-N 3.12Å; D545-T549 WeakPolarHBondContact O-CB 3.47Å; D545-T549 PolarHBondContact O-N 3.22Å; D545-T549 PolarHBondContact O-OG1 2.68Å |
| 546 | K | 78.9 | Confident | 68.6 | Low | 150 Ų | 150 | 102.2 Ų | 102.2 | 65% | 0.652 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 175.1 | -84.1 | -175.6 | 176.6 | -176.4 | 0 | 112.1 | R542 I543 E544 T549 L550 | R542-K546 WeakPolarHBondContact O-CB 3.46Å; R542-K546 WeakPolarHBondContact O-CG 3.48Å; R542-K546 PolarHBondContact O-N 2.98Å; I543-K546 PolarHBondContact O-N 3.25Å; E544-K546 VanDerWaalsContact C-N 3.33Å; E544-K546 PolarHBondContact O-N 3.13Å; K546-T549 PolarHBondContact O-N 3.23Å; K546-L550 WeakPolarHBondContact O-CB 3.41Å; K546-L550 WeakPolarHBondContact O-CD1 3.35Å; K546-L550 PolarHBondContact O-N 2.85Å |
| 547 | L | 76.4 | Confident | 66.3 | Low | 101 Ų | 101 | 104.5 Ų | 104.5 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 177.3 | -74.8 | 169.7 | 0 | 0 | 0 | 111.4 | I543 E544 T549 L550 S551 | I543-L547 HydrophobicContact CG2-CD1 3.88Å; I543-L547 HydrophobicContact CG2-CG 4.4Å; I543-L547 WeakPolarHBondContact O-CB 3.39Å; I543-L547 WeakPolarHBondContact O-CG 3.15Å; I543-L547 PolarHBondContact O-N 3.09Å; E544-L547 PolarHBondContact O-N 3.48Å; L547-T549 VanDerWaalsContact C-N 3.34Å; L547-T549 PolarHBondContact O-N 3.43Å; L547-L550 PolarHBondContact O-N 2.99Å; L547-S551 WeakPolarHBondContact O-CB 3.5Å; L547-S551 PolarHBondContact O-N 3.02Å |
| 548 | N | 72.7 | Confident | 64.2 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 52% | 0.519 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -39.4 | 174.6 | -74.4 | -27.1 | 0 | 0 | 0 | 111.8 | E544 S551 L552 | E544-N548 WeakPolarHBondContact O-CB 3.19Å; E544-N548 VanDerWaalsContact O-CG 3.32Å; E544-N548 PolarHBondContact O-N 3.4Å; E544-N548 PolarHBondContact O-ND2 3.38Å; N548-S551 WeakPolarHBondContact O-CB 3.33Å; N548-S551 PolarHBondContact O-N 2.91Å; N548-L552 WeakPolarHBondContact O-CG 3.46Å; N548-L552 PolarHBondContact O-N 3.17Å |
| 549 | T | 74.2 | Confident | 61.8 | Low | 69 Ų | 69 | 112.3 Ų | 112.3 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.5 | -44.8 | 175 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | D545 K546 L547 S551 L552 F553 | D545-T549 WeakPolarHBondContact O-CB 3.47Å; D545-T549 PolarHBondContact O-N 3.22Å; D545-T549 PolarHBondContact O-OG1 2.68Å; K546-T549 PolarHBondContact O-N 3.23Å; L547-T549 VanDerWaalsContact C-N 3.34Å; L547-T549 PolarHBondContact O-N 3.43Å; T549-S551 VanDerWaalsContact C-N 3.34Å; T549-S551 PolarHBondContact O-N 3.4Å; T549-L552 PolarHBondContact O-N 3.23Å; T549-F553 HydrophobicContact CG2-CD2 3.88Å; T549-F553 HydrophobicContact CG2-CE2 3.73Å; T549-F553 VanDerWaalsContact O-CD2 3.24Å; T549-F553 WeakPolarHBondContact O-CD2 3.42Å; T549-F553 PolarHBondContact O-N 2.93Å |
| 550 | L | 62.8 | Low | 59.1 | Low | 111 Ų | 111 | 116.7 Ų | 116.7 | 58% | 0.581 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.8 | -37.9 | 175.6 | -84.4 | 152.1 | 0 | 0 | 0 | 112.4 | K546 L547 F553 T554 | K546-L550 WeakPolarHBondContact O-CB 3.41Å; K546-L550 WeakPolarHBondContact O-CD1 3.35Å; K546-L550 PolarHBondContact O-N 2.85Å; L547-L550 PolarHBondContact O-N 2.99Å; L550-F553 PolarHBondContact O-N 3.35Å; L550-T554 WeakPolarHBondContact O-CG2 3.12Å; L550-T554 PolarHBondContact O-N 3.36Å; L550-T554 VanDerWaalsContact O-N 3.07Å; L550-T554 PolarHBondContact O-OG1 2.96Å; L550-T554 VanDerWaalsContact O-OG1 3.1Å |
| 551 | S | 60.2 | Low | 56.5 | Low | 65 Ų | 65 | 120.5 Ų | 120.5 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.9 | -40.5 | 172.2 | 166.8 | 0 | 0 | 0 | 0 | 112.3 | L547 N548 T549 T554 T555 | L547-S551 WeakPolarHBondContact O-CB 3.5Å; L547-S551 PolarHBondContact O-N 3.02Å; N548-S551 WeakPolarHBondContact O-CB 3.33Å; N548-S551 PolarHBondContact O-N 2.91Å; T549-S551 VanDerWaalsContact C-N 3.34Å; T549-S551 PolarHBondContact O-N 3.4Å; S551-T554 WeakPolarHBondContact CA-OG1 3.46Å; S551-T554 PolarHBondContact O-N 3.3Å; S551-T554 PolarHBondContact O-OG1 3.35Å; S551-T555 PolarHBondContact O-N 2.95Å; S551-T555 PolarHBondContact O-OG1 2.78Å |
| 552 | L | 51.9 | Low | 53.9 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 59% | 0.592 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69 | -35.4 | 175.5 | -77.3 | 158.9 | 0 | 0 | 0 | 113 | N548 T549 T555 S556 | N548-L552 WeakPolarHBondContact O-CG 3.46Å; N548-L552 PolarHBondContact O-N 3.17Å; T549-L552 PolarHBondContact O-N 3.23Å; L552-T555 WeakPolarHBondContact CA-OG1 3.45Å; L552-T555 PolarHBondContact O-N 3.08Å; L552-T555 PolarHBondContact O-OG1 3.03Å; L552-S556 PolarHBondContact O-N 3.26Å; L552-S556 VanDerWaalsContact O-N 3.14Å |
| 553 | F | 41.3 | Very low | 51 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 58% | 0.575 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.4 | -31.3 | 176.1 | -87 | -74.9 | 0 | 0 | 0 | 113.2 | T549 L550 | T549-F553 HydrophobicContact CG2-CD2 3.88Å; T549-F553 HydrophobicContact CG2-CE2 3.73Å; T549-F553 VanDerWaalsContact O-CD2 3.24Å; T549-F553 WeakPolarHBondContact O-CD2 3.42Å; T549-F553 PolarHBondContact O-N 2.93Å; L550-F553 PolarHBondContact O-N 3.35Å |
| 554 | T | 41.3 | Very low | 48.4 | Very low | 98 Ų | 98 | 127 Ų | 127 | 60% | 0.601 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.5 | -26.3 | 175.9 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | L550 S551 | L550-T554 WeakPolarHBondContact O-CG2 3.12Å; L550-T554 PolarHBondContact O-N 3.36Å; L550-T554 VanDerWaalsContact O-N 3.07Å; L550-T554 PolarHBondContact O-OG1 2.96Å; L550-T554 VanDerWaalsContact O-OG1 3.1Å; S551-T554 WeakPolarHBondContact CA-OG1 3.46Å; S551-T554 PolarHBondContact O-N 3.3Å; S551-T554 PolarHBondContact O-OG1 3.35Å |
| 555 | T | 41.2 | Very low | 45.7 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 56% | 0.564 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -83.9 | -29.6 | 175 | 31 | 0 | 0 | 0 | 0 | 114.1 | S551 L552 | S551-T555 PolarHBondContact O-N 2.95Å; S551-T555 PolarHBondContact O-OG1 2.78Å; L552-T555 WeakPolarHBondContact CA-OG1 3.45Å; L552-T555 PolarHBondContact O-N 3.08Å; L552-T555 PolarHBondContact O-OG1 3.03Å |
| 556 | S | 35 | Very low | 43.3 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.1 | -23.9 | 178.7 | -79.4 | 0 | 0 | 0 | 0 | 115.2 | L552 H558 | L552-S556 PolarHBondContact O-N 3.26Å; L552-S556 VanDerWaalsContact O-N 3.14Å; S556-H558 PolarHBondContact O-N 3.24Å |
| 557 | N | 31.4 | Very low | 40.8 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 8.3 | -174 | -84.5 | -20.6 | 0 | 0 | 0 | 115.5 | ||
| 558 | H | 31.4 | Very low | 38.2 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 10.7 | -175.9 | -103.9 | -43.6 | 0 | 0 | 0 | 117.2 | S556 | S556-H558 PolarHBondContact O-N 3.24Š|
| 559 | I | 29.6 | Very low | 35.9 | Very low | 152 Ų | 152 | 139 Ų | 139 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -110.9 | -9.6 | -176.7 | -65 | -178.3 | 0 | 0 | 0 | 115.7 | ||
| 560 | E | 25 | Very low | 33.4 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -128.6 | 89 | 177.5 | -74.8 | -172.6 | 163.7 | 0 | 0 | 112.6 | ||
| 561 | K | 26.4 | Very low | 31.4 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | S | Bend | 177.8 | 138.3 | 127.5 | -93.6 | 155.3 | -169.9 | 178.7 | 0 | 112.3 | |||
| 562 | D | 27.4 | Very low | 29.6 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | 86.2 | 57.9 | 160.4 | -56 | -18.9 | 0 | 0 | 0 | 118.1 | R564 | D562-R564 PolarHBondContact O-N 3.11Š| ||
| 563 | V | 21.8 | Very low | 28.2 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | -65.2 | 105.6 | 129.4 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 564 | R | 25.6 | Very low | 27.3 | Very low | 223 Ų | 223 | 146.6 Ų | 146.6 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | -176.6 | 112 | 144.1 | -102.5 | 163.5 | -168.4 | -163.1 | 4.7 | 112.7 | D562 | D562-R564 PolarHBondContact O-N 3.11Š| ||
| 565 | N | 25.5 | Very low | 26.3 | Very low | 144 Ų | 144 | 151 Ų | 151 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | 56.4 | 110.5 | 145.1 | -67.5 | -10.6 | 0 | 0 | 0 | 119 | ||||
| 566 | K | 28.8 | Very low | 25.5 | Very low | 209 Ų | 209 | 153.7 Ų | 153.7 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | -170 | 125.1 | 105 | -99 | 164.7 | -174 | -178.4 | 0 | 112.8 | |||||
| 567 | N | 27 | Very low | 24.9 | Very low | 158 Ų | 158 | 157.4 Ų | 157.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -23.4 | 136.5 | 173.5 | -64.6 | -24.4 | 0 | 0 | 0 | 119.5 | ||||
| 568 | F | 21.4 | Very low | 24.6 | Very low | 200 Ų | 200 | 158.7 Ų | 158.7 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | -42.7 | 129.5 | 157.2 | -70.3 | -98.7 | 0 | 0 | 0 | 113.3 | ||||
| 569 | A | 24.5 | Very low | 24.2 | Very low | 90 Ų | 90 | 157.6 Ų | 157.6 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -131.4 | 97.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 570 | V | 21.8 | Very low | 23.9 | Very low | 109 Ų | 109 | 158 Ų | 158 | 66% | 0.661 | 81% | 0.81 | S | S | * | * | trans | -75.2 | 117.9 | 166.8 | 175 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 571 | V | 21.5 | Very low | 23.7 | Very low | 135 Ų | 135 | 158.4 Ų | 158.4 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -120.3 | 115.6 | 170.3 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 572 | H | 22.1 | Very low | 23.6 | Very low | 149 Ų | 149 | 155.8 Ų | 155.8 | 69% | 0.69 | 81% | 0.812 | S | S | * | * | trans | -71.7 | 156.8 | 175.7 | -78.6 | -82.4 | 0 | 0 | 0 | 111.8 | ||||
| 573 | P | 22.1 | Very low | 23.2 | Very low | 123 Ų | 123 | 157.2 Ų | 157.2 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 135.4 | -171.1 | 30.9 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 574 | V | 23 | Very low | 23.2 | Very low | 132 Ų | 132 | 158 Ų | 158 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | -105.4 | 109.7 | 168.7 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 575 | E | 20.2 | Very low | 23 | Very low | 191 Ų | 191 | 157.7 Ų | 157.7 | 89% | 0.893 | 82% | 0.818 | S | S | * | * | trans | -69.3 | 120.3 | 153.3 | -71.2 | 179.1 | 155.3 | 0 | 0 | 107.2 | ||||
| 576 | D | 24.5 | Very low | 23 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -150.7 | 144.1 | 143.2 | -137.6 | -15 | 0 | 0 | 0 | 112.5 | ||||
| 577 | K | 22 | Very low | 22.6 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -67.5 | 142.3 | -177.9 | -65.6 | 165 | 173.7 | 175 | 0 | 110.1 | ||||
| 578 | N | 26.1 | Very low | 22.5 | Very low | 162 Ų | 162 | 150 Ų | 150 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -152.2 | 107.4 | 143.7 | -93.7 | -33.5 | 0 | 0 | 0 | 109.6 | ||||
| 579 | D | 22 | Very low | 22.6 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -55.2 | 127.1 | 156.4 | -62 | -53.8 | 0 | 0 | 0 | 109.5 | ||||
| 580 | L | 24.2 | Very low | 22.7 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -140.9 | 93.7 | 155.3 | -88.7 | 170.5 | 0 | 0 | 0 | 108 | ||||
| 581 | E | 19.9 | Very low | 22.7 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | trans | -55.4 | 128 | 155.4 | -68.1 | 177.4 | 145.5 | 0 | 0 | 109.1 | ||||
| 582 | V | 24.3 | Very low | 22.7 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -123.4 | 107.7 | 159.6 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 583 | E | 20.1 | Very low | 22.9 | Very low | 181 Ų | 181 | 150.4 Ų | 150.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -61.1 | 141.6 | 174 | -72.8 | -179.8 | 128 | 0 | 0 | 113.4 | ||||
| 584 | N | 20 | Very low | 22.8 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -3.4 | 124.3 | 144.7 | -78.3 | -30.9 | 0 | 0 | 0 | 118.3 | ||||
| 585 | K | 23 | Very low | 23 | Very low | 217 Ų | 217 | 150.9 Ų | 150.9 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | trans | -148.7 | 127.8 | 133.8 | -75.3 | -166.2 | 178.2 | 171.1 | 0 | 110.2 | ||||
| 586 | G | 24.3 | Very low | 23 | Very low | 74 Ų | 74 | 150.7 Ų | 150.7 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 150.4 | 52.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 587 | T | 21.2 | Very low | 23.1 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -57.6 | 127.6 | 160.9 | -28.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 588 | I | 24.7 | Very low | 23.1 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -132.1 | 101.7 | 152.2 | -63.7 | -177.6 | 0 | 0 | 0 | 106.5 | ||||
| 589 | D | 22.5 | Very low | 22.9 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 134.7 | 161.1 | -66.1 | -49.6 | 0 | 0 | 0 | 109.1 | ||||
| 590 | N | 26.6 | Very low | 23 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -138.2 | 110.4 | 148.2 | -100 | -28.4 | 0 | 0 | 0 | 108.3 | ||||
| 591 | E | 23.6 | Very low | 22.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -56.9 | 148.4 | 177.3 | -69.5 | 175.2 | 137.4 | 0 | 0 | 112.6 | ||||
| 592 | S | 21.3 | Very low | 23.1 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -14.5 | 123.7 | 149.6 | 50.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 593 | V | 25.2 | Very low | 23.2 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -115.7 | 101.4 | 147.2 | 178 | 0 | 0 | 0 | 0 | 107.9 | L595 | V593-L595 HydrophobicContact CG1-CG 4.36Š| ||
| 594 | S | 21.2 | Very low | 23.4 | Very low | 105 Ų | 105 | 137.4 Ų | 137.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -71 | 125.8 | 161.4 | 60.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 595 | L | 26.1 | Very low | 23.9 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -118.3 | 99.9 | 158.9 | -83.5 | 164.5 | 0 | 0 | 0 | 108.3 | V593 | V593-L595 HydrophobicContact CG1-CG 4.36Š| ||
| 596 | Q | 19.8 | Very low | 24.1 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 127.9 | 155.9 | -72.5 | 174.6 | -20 | 0 | 0 | 108.3 | ||||
| 597 | S | 26.3 | Very low | 24.4 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -162.1 | 106.4 | 141.8 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 598 | T | 23.6 | Very low | 24.7 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 39.6 | 118.2 | 133.5 | 58.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 599 | T | 20.8 | Very low | 24.9 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -32.7 | 152 | 148 | 10.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 600 | P | 23.4 | Very low | 25.2 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | -138.4 | 142.1 | 97 | 34.2 | -19.3 | 0 | 0 | 0 | 115.3 | |||||
| 601 | E | 21.8 | Very low | 25.4 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 154.6 | 154.4 | -75.1 | -177.5 | 138.6 | 0 | 0 | 110.8 | ||||
| 602 | P | 25.5 | Very low | 25.6 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | -140.3 | 133.3 | 117.3 | 34.9 | -20.5 | 0 | 0 | 0 | 115.4 | |||||
| 603 | T | 25.3 | Very low | 26.1 | Very low | 120 Ų | 120 | 156.1 Ų | 156.1 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 57.2 | 101.1 | 134.2 | 61.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 604 | D | 25.7 | Very low | 26.6 | Very low | 128 Ų | 128 | 160.2 Ų | 160.2 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | 13.7 | 111 | 121.8 | -143.2 | -5.6 | 0 | 0 | 0 | 117.4 | |||||
| 605 | S | 29.7 | Very low | 27.1 | Very low | 113 Ų | 113 | 164.9 Ų | 164.9 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -137.7 | 76.5 | 158.2 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | K607 | S605-K607 PolarHBondContact O-N 3.22Š| ||
| 606 | K | 28.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 167 Ų | 167 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -56.6 | 97.2 | 160.5 | -76.2 | 168.8 | -179.3 | 150.5 | 0 | 111 | ||||
| 607 | K | 29.2 | Very low | 28.2 | Very low | 200 Ų | 200 | 167.5 Ų | 167.5 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -103.5 | 85.7 | 158.5 | -86.1 | -176.4 | 179.2 | 171.7 | 0 | 110.7 | S605 R609 | S605-K607 PolarHBondContact O-N 3.22Å; K607-R609 PolarHBondContact O-N 3.15Å; K607-R609 VanDerWaalsContact O-N 3.1Å | ||
| 608 | K | 28.2 | Very low | 28.4 | Very low | 194 Ų | 194 | 167.4 Ų | 167.4 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -59 | 103.3 | 159.4 | -80.8 | 179.9 | 173.6 | 175.9 | 0 | 109.3 | K610 | K608-K610 PolarHBondContact O-N 3.25Š| ||
| 609 | R | 29.1 | Very low | 29.2 | Very low | 243 Ų | 243 | 172.6 Ų | 172.6 | 92% | 0.917 | 84% | 0.844 | S | S | * | * | trans | -84.5 | 93.7 | 163 | -101 | 178.8 | 154.6 | 177.8 | -5.7 | 109.2 | K607 R611 | K607-R609 PolarHBondContact O-N 3.15Å; K607-R609 VanDerWaalsContact O-N 3.1Å; R609-R611 PolarHBondContact O-N 3.34Å | ||
| 610 | K | 28.8 | Very low | 29.7 | Very low | 194 Ų | 194 | 174.9 Ų | 174.9 | 84% | 0.843 | 85% | 0.847 | S | S | * | * | trans | -63.5 | 113.2 | 164.3 | -76.2 | -178.2 | 174.4 | 179.6 | 0 | 108.9 | K608 | K608-K610 PolarHBondContact O-N 3.25Š| ||
| 611 | R | 30.1 | Very low | 30 | Very low | 248 Ų | 248 | 177.7 Ų | 177.7 | 94% | 0.936 | 85% | 0.851 | S | S | * | * | trans | -77.8 | 114.6 | 163.3 | -79.2 | -179 | 163.2 | -174.6 | -5.1 | 108.2 | R609 | R609-R611 PolarHBondContact O-N 3.34Š| ||
| 612 | K | 29.2 | Very low | 30.4 | Very low | 198 Ų | 198 | 177.7 Ų | 177.7 | 86% | 0.861 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 146.2 | 164.7 | -87.9 | -175.1 | 174.5 | -178.9 | 0 | 109.4 | ||
| 613 | P | 31.9 | Very low | 30.7 | Very low | 123 Ų | 123 | 181.6 Ų | 181.6 | 80% | 0.799 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 134.9 | -172.1 | 32.6 | -32.8 | 0 | 0 | 0 | 111 | ||
| 614 | K | 34.1 | Very low | 31.1 | Very low | 212 Ų | 212 | 185.5 Ų | 185.5 | 92% | 0.922 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 121.2 | 167.3 | -84.1 | -172.8 | 173.7 | -175.9 | 0 | 108.7 | ||
| 615 | K | 33.2 | Very low | 31.4 | Very low | 203 Ų | 203 | 189.3 Ų | 189.3 | 88% | 0.883 | 88% | 0.879 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 144.5 | 175.2 | -85.5 | 176.3 | 167.2 | -178.8 | 0 | 111.6 | ||
| 616 | K | 31.8 | Very low | 31.6 | Very low | 205 Ų | 205 | 194.8 Ų | 194.8 | 89% | 0.891 | 89% | 0.886 | S | S | * | * | trans | -43 | 135.5 | 156.3 | -74.3 | 176.9 | 170 | -178.1 | 0 | 110.8 | ||||
| 617 | Q | 36.2 | Very low | 31.8 | Very low | 198 Ų | 198 | 196.6 Ų | 196.6 | 93% | 0.925 | 90% | 0.897 | S | S | * | * | trans | -117.9 | 104.3 | 157.5 | -149.3 | 166.1 | 6 | 0 | 0 | 105.4 | ||||
| 618 | S | 30.8 | Very low | 32 | Very low | 98 Ų | 98 | 196.3 Ų | 196.3 | 69% | 0.685 | 90% | 0.899 | S | S | * | * | trans | -80.2 | 127.8 | 160.9 | 49.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 619 | D | 41.3 | Very low | 32.4 | Very low | 240 Ų | 240 | 196.5 Ų | 196.5 | 100% | 1.283 | 90% | 0.904 | S | S | * | * | -148.8 | 0 | 119.5 | -86.3 | -24.6 | 0 | 0 | 0 | 107.5 |
Retrieved 619 of 619 residues in 137.6 ms
(Link to these results)