| 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 | 90.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 56% | 0.557 | 51% | 0.512 | S | S | * | . | 0 | 138.6 | 0 | -59.6 | 177.5 | -69.8 | 0 | 0 | 108.9 | G36 V54 T55 H56 | M1-G36 WeakPolarHBondContact CE-O 3.49Å; M1-V54 HydrophobicContact CB-CG1 3.92Å; M1-V54 HydrophobicContact CB-CG2 4.1Å; M1-V54 HydrophobicContact CG-CG2 4.31Å; M1-V54 HydrophobicContact SD-CG1 4.46Å; M1-T55 VanDerWaalsContact SD-C 3.55Å; M1-T55 VanDerWaalsContact SD-CA 3.59Å; M1-H56 HydrophobicContact CG-CB 4.02Å; M1-H56 HydrophobicContact SD-CB 4.05Å; M1-H56 PolarHBondContact SD-N 3.47Å | |||
| 2 | C | 94.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | trans | -147.9 | 148 | 179.8 | -167.8 | 0 | 0 | 0 | 0 | 109.8 | F4 | C2-F4 HydrophobicContact CB-CE2 3.99Å; C2-F4 HydrophobicContact CB-CZ 4.25Å; C2-F4 WeakPolarHBondContact SG-CZ 3.28Å | ||
| 3 | I | 97.5 | Very high | 96.7 | Very high | 43 Ų | 43 | 102.8 Ų | 102.8 | 22% | 0.221 | 52% | 0.521 | C | S | . | . | trans | -120.9 | 121.2 | 173.9 | -63 | 174.6 | 0 | 0 | 0 | 107.8 | A40 I42 F52 V54 | I3-A40 HydrophobicContact CB-CB 4.41Å; I3-A40 HydrophobicContact CD1-CB 3.65Å; I3-A40 HydrophobicContact CG2-CB 4.11Å; I3-I42 HydrophobicContact CG2-CD1 4.09Å; I3-F52 HydrophobicContact CD1-CB 4.26Å; I3-V54 HydrophobicContact CD1-CB 4.35Å; I3-V54 HydrophobicContact CD1-CG1 3.86Å; I3-V54 HydrophobicContact CG1-CB 4.22Å; I3-V54 HydrophobicContact CG1-CG1 3.76Å | ||
| 4 | F | 97.5 | Very high | 96.7 | Very high | 187 Ų | 187 | 101.9 Ų | 101.9 | 82% | 0.82 | 52% | 0.522 | S | S | * | . | trans | -105.7 | 138.2 | 171.2 | -58.4 | -81.5 | 0 | 0 | 0 | 109.1 | C2 | C2-F4 HydrophobicContact CB-CE2 3.99Å; C2-F4 HydrophobicContact CB-CZ 4.25Å; C2-F4 WeakPolarHBondContact SG-CZ 3.28Å | ||
| 5 | S | 97.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 98.7 Ų | 98.7 | 29% | 0.287 | 51% | 0.505 | S | S | . | . | trans | -140.2 | 137 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 111 | W7 I42 | S5-W7 WeakPolarHBondContact CB-O 3.23Å; S5-W7 PolarHBondContact OG-N 2.87Å; S5-W7 PolarHBondContact OG-O 2.66Å; S5-I42 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 6 | K | 97.5 | Very high | 96.8 | Very high | 207 Ų | 207 | 97.9 Ų | 97.9 | 90% | 0.9 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -72.4 | -22.6 | 167.3 | -176.5 | 176.1 | 179.9 | 176.2 | 0 | 111.9 | ||
| 7 | W | 97.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 92.6 Ų | 92.6 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -102.7 | 165.2 | -179.1 | -57.3 | -43.3 | 0 | 0 | 0 | 111.4 | S5 I9 I42 T43 | S5-W7 WeakPolarHBondContact CB-O 3.23Å; S5-W7 PolarHBondContact OG-N 2.87Å; S5-W7 PolarHBondContact OG-O 2.66Å; W7-I9 PolarHBondContact O-N 3.36Å; W7-I42 HydrophobicContact CB-CG2 3.82Å; W7-I42 HydrophobicContact CE3-CG2 3.99Å; W7-T43 WeakPolarHBondContact CB-O 3.16Å |
| 8 | T | 97.8 | Very high | 96.8 | Very high | 103 Ų | 103 | 90.2 Ų | 90.2 | 63% | 0.632 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 126.5 | -176.5 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | I42 T43 | T8-I42 WeakPolarHBondContact O-CA 3.49Å; T8-T43 PolarHBondContact O-N 2.64Å |
| 9 | I | 98.2 | Very high | 96.7 | Very high | 70 Ų | 70 | 85.5 Ų | 85.5 | 36% | 0.359 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 111.4 | 166.9 | -60.2 | 170.6 | 0 | 0 | 0 | 107 | W7 V12 A40 R41 I42 | W7-I9 PolarHBondContact O-N 3.36Å; I9-V12 HydrophobicContact CG2-CG1 3.5Å; I9-V12 VanDerWaalsContact CG2-CG1 3.5Å; I9-A40 HydrophobicContact CG2-CB 4.15Å; I9-R41 CarbonylContact C-O 3.54Å; I9-I42 HydrophobicContact CG1-CD1 4.47Å; I9-I42 HydrophobicContact CG1-CG1 3.98Å |
| 10 | E | 96.7 | Very high | 96.5 | Very high | 89 Ų | 89 | 82.4 Ų | 82.4 | 42% | 0.416 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -44.2 | -178.1 | -62.5 | -172.5 | 152.1 | 0 | 0 | 111.7 | R41 T43 | E10-R41 HydrophobicContact CB-CB 4.48Å; E10-R41 HydrophobicContact CB-CG 4.42Å; E10-R41 PolarHBondContact N-O 3.04Å; E10-R41 VanDerWaalsContact OE2-CD 3.22Å; E10-R41 WeakPolarHBondContact OE2-CD 3.47Å; E10-R41 WeakPolarHBondContact OE2-CG 3.33Å; E10-T43 WeakPolarHBondContact OE1-CB 3.37Å; E10-T43 PolarHBondContact OE1-OG1 3.13Å |
| 11 | C | 96.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 78.9 Ų | 78.9 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158 | 177.9 | 64.6 | 0 | 0 | 0 | 0 | 111 | A40 R41 | C11-A40 WeakPolarHBondContact O-CA 3.43Å; C11-R41 PolarHBondContact O-N 3.04Å |
| 12 | V | 97.6 | Very high | 96.5 | Very high | 103 Ų | 103 | 74.6 Ų | 74.6 | 62% | 0.624 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.5 | 176 | -62.2 | 0 | 0 | 0 | 0 | 110.3 | I9 L39 A40 | I9-V12 HydrophobicContact CG2-CG1 3.5Å; I9-V12 VanDerWaalsContact CG2-CG1 3.5Å; V12-L39 CarbonylContact C-O 3.57Å; V12-L39 WeakPolarHBondContact CA-O 3.45Å; V12-A40 HydrophobicContact CG1-CB 4.16Å |
| 13 | F | 97.1 | Very high | 96.3 | Very high | 117 Ų | 117 | 71.8 Ų | 71.8 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 155 | 171.2 | -169.6 | -99.6 | 0 | 0 | 0 | 109.7 | H15 G38 L39 F84 | F13-H15 HydrophobicContact CE1-CB 4.31Å; F13-G38 WeakPolarHBondContact O-CA 3.33Å; F13-L39 PolarHBondContact N-O 3.22Å; F13-L39 PolarHBondContact O-N 2.88Å; F13-F84 AromaticContact CD1-CE2 3.51Å; F13-F84 HydrophobicContact CD1-CE2 3.51Å; F13-F84 AromaticContact CD1-CZ 3.65Å; F13-F84 HydrophobicContact CD1-CZ 3.65Å; F13-F84 AromaticContact CE1-CE2 3.7Å; F13-F84 HydrophobicContact CE1-CE2 3.7Å; F13-F84 HydrophobicContact CE1-CZ 4.31Å |
| 14 | T | 97.2 | Very high | 95.9 | Very high | 89 Ų | 89 | 74.6 Ų | 74.6 | 55% | 0.546 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 132.1 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 109.2 | I37 | T14-I37 CarbonylContact C-O 3.55Å; T14-I37 WeakPolarHBondContact CA-O 3.39Å |
| 15 | H | 97.3 | Very high | 95.6 | Very high | 55 Ų | 55 | 66.8 Ų | 66.8 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 109.1 | 175.3 | 176 | 68.9 | 0 | 0 | 0 | 109.2 | F13 G36 I37 E80 F84 | F13-H15 HydrophobicContact CE1-CB 4.31Å; H15-G36 CarbonylContact O-C 3.55Å; H15-G36 WeakPolarHBondContact O-CA 3.34Å; H15-I37 HydrophobicContact CB-CG2 3.83Å; H15-I37 PolarHBondContact N-O 2.97Å; H15-I37 PolarHBondContact O-N 2.94Å; H15-E80 IonicContact CD2-OE2 2.94Å; H15-E80 IonicContact CE1-OE2 2.82Å; H15-E80 IonicContact NE2-OE2 3.59Å; H15-E80 PolarHBondContact NE2-OE2 3.13Å; H15-F84 HydrophobicContact CB-CD2 3.86Å; H15-F84 HydrophobicContact CB-CE2 3.91Å |
| 16 | P | 96.9 | Very high | 95.2 | Very high | 86 Ų | 86 | 70.5 Ų | 70.5 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 137.8 | 172.9 | 30.8 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 17 | F | 97.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.035 | 36% | 0.357 | C | S | . | . | trans | -74.2 | 155.1 | 178.7 | -56 | -48.4 | 0 | 0 | 0 | 112.5 | N20 K35 G36 I37 T55 L57 Q77 E80 V81 | F17-N20 WeakPolarHBondContact CB-OD1 3.43Å; F17-N20 PolarHBondContact O-ND2 2.85Å; F17-N20 VanDerWaalsContact O-ND2 3.15Å; F17-K35 HydrophobicContact CD2-CB 4Å; F17-K35 HydrophobicContact CE2-CB 4.48Å; F17-K35 PolarHBondContact N-O 3.36Å; F17-G36 VanDerWaalsContact CD2-CA 3.44Å; F17-G36 WeakPolarHBondContact CE2-O 3.48Å; F17-G36 WeakPolarHBondContact CZ-O 3.42Å; F17-I37 HydrophobicContact CE1-CB 4.19Å; F17-I37 HydrophobicContact CE1-CG2 3.97Å; F17-I37 HydrophobicContact CZ-CB 4.13Å; F17-I37 HydrophobicContact CZ-CG2 4.41Å; F17-T55 WeakPolarHBondContact CZ-OG1 3.2Å; F17-L57 HydrophobicContact CD2-CD2 4.45Å; F17-L57 HydrophobicContact CE2-CD2 3.5Å; F17-L57 HydrophobicContact CZ-CD2 3.75Å; F17-Q77 HydrophobicContact CB-CB 4.41Å; F17-Q77 HydrophobicContact CB-CG 3.73Å; F17-Q77 HydrophobicContact CD1-CB 4.29Å; F17-Q77 HydrophobicContact CD2-CB 3.72Å; F17-Q77 HydrophobicContact CD2-CG 3.54Å; F17-Q77 HydrophobicContact CE2-CB 4Å; F17-Q77 HydrophobicContact CE2-CG 4.28Å; F17-Q77 HydrophobicContact CG-CB 3.89Å; F17-Q77 HydrophobicContact CG-CG 3.69Å; F17-Q77 HydrophobicContact CZ-CB 4.4Å; F17-E80 WeakPolarHBondContact CA-OE2 3.49Å; F17-E80 HydrophobicContact CD1-CB 3.87Å; F17-E80 HydrophobicContact CE1-CB 4.17Å; F17-V81 HydrophobicContact CE1-CG2 3.59Å; F17-V81 HydrophobicContact CZ-CG2 3.39Å | ||
| 18 | T | 96.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 63.3 Ų | 63.3 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -75 | -43.6 | -176.5 | -52.7 | 0 | 0 | 0 | 0 | 112 | E80 I322 | T18-E80 PolarHBondContact N-OE1 3.11Å; T18-E80 PolarHBondContact N-OE2 2.88Å; T18-E80 PolarHBondContact OG1-OE1 2.9Å; T18-E80 PolarHBondContact OG1-OE2 2.57Å; T18-I322 HydrophobicContact CG2-CG2 4Å; T18-I322 WeakPolarHBondContact O-CG2 3.28Å |
| 19 | A | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | trans | -106.3 | 87.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H73 Q77 | A19-H73 HydrophobicContact CB-CB 4.44Å; A19-H73 PolarHBondContact O-ND1 2.75Å; A19-H73 VanDerWaalsContact O-ND1 3.13Å; A19-Q77 PolarHBondContact O-NE2 2.96Å | ||
| 20 | N | 93.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 57.6 Ų | 57.6 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | trans | -104.4 | 29.5 | -172.5 | -79.4 | -18.5 | 0 | 0 | 0 | 115.9 | F17 Y31 K35 Q77 | F17-N20 WeakPolarHBondContact CB-OD1 3.43Å; F17-N20 PolarHBondContact O-ND2 2.85Å; F17-N20 VanDerWaalsContact O-ND2 3.15Å; N20-Y31 VanDerWaalsContact O-CA 3.29Å; N20-Y31 WeakPolarHBondContact O-CA 3.18Å; N20-K35 PolarHBondContact ND2-O 2.88Å; N20-K35 WeakPolarHBondContact OD1-CB 3.14Å; N20-Q77 PolarHBondContact OD1-NE2 3.35Å | ||
| 21 | G | 93.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | trans | 87 | -152.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | H73 | G21-H73 PolarHBondContact N-CE1 3.05Å; G21-H73 PolarHBondContact N-ND1 2.83Å; G21-H73 VanDerWaalsContact N-ND1 3.16Å | ||
| 22 | Y | 92.7 | Very high | 93.6 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | trans | -123.4 | 127.8 | -169.9 | -54.2 | -66.2 | 0 | 0 | 0 | 112.9 | H24 L25 Y70 H73 R320 E323 | Y22-H24 VanDerWaalsContact C-N 3.28Å; Y22-H24 VanDerWaalsContact CB-CE1 3.49Å; Y22-H24 WeakPolarHBondContact CB-CE1 3.22Å; Y22-H24 AromaticContact CG-CE1 3.92Å; Y22-H24 PolarHBondContact O-N 3.04Å; Y22-L25 HydrophobicContact CD2-CD1 3.86Å; Y22-L25 HydrophobicContact CG-CD1 4.44Å; Y22-L25 PolarHBondContact O-N 2.85Å; Y22-Y70 AromaticContact CD2-CE1 3.49Å; Y22-Y70 HydrophobicContact CD2-CE1 3.49Å; Y22-Y70 VanDerWaalsContact CD2-CE1 3.49Å; Y22-Y70 AromaticContact CD2-CZ 3.83Å; Y22-Y70 WeakPolarHBondContact CD2-OH 3.19Å; Y22-Y70 HydrophobicContact CE2-CD1 4.21Å; Y22-Y70 AromaticContact CE2-CE1 3.44Å; Y22-Y70 HydrophobicContact CE2-CE1 3.44Å; Y22-Y70 VanDerWaalsContact CE2-CE1 3.44Å; Y22-H73 AromaticContact CZ-NE2 3.81Å; Y22-R320 VanDerWaalsContact CE1-CZ 3.42Å; Y22-R320 PolarHBondContact OH-NH1 2.83Å; Y22-E323 WeakPolarHBondContact CE1-OE2 3.45Å; Y22-E323 PolarHBondContact OH-OE1 2.89Å | ||
| 23 | P | 91.2 | Very high | 93.2 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -30.5 | -177.1 | 17 | -24.5 | 0 | 0 | 0 | 113.6 | L25 Y31 Y32 W314 | P23-L25 PolarHBondContact O-N 3.02Å; P23-Y31 HydrophobicContact CB-CD1 3.62Å; P23-Y31 HydrophobicContact CB-CD2 4.28Å; P23-Y31 HydrophobicContact CB-CE1 3.57Å; P23-Y31 HydrophobicContact CB-CE2 4.23Å; P23-Y31 HydrophobicContact CB-CG 3.99Å; P23-Y31 HydrophobicContact CG-CD1 4.47Å; P23-Y31 HydrophobicContact CG-CD2 4.36Å; P23-Y31 HydrophobicContact CG-CE1 4.2Å; P23-Y31 HydrophobicContact CG-CE2 4.06Å; P23-Y32 WeakPolarHBondContact O-CE2 2.98Å; P23-Y32 PolarHBondContact O-OH 3.48Å; P23-W314 HydrophobicContact CG-CH2 4.35Å; P23-W314 HydrophobicContact CG-CZ3 3.72Å |
| 24 | H | 88.9 | Confident | 92.8 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -10.6 | -178.8 | 61.6 | -90.2 | 0 | 0 | 0 | 113.3 | Y22 I26 | Y22-H24 VanDerWaalsContact C-N 3.28Å; Y22-H24 VanDerWaalsContact CB-CE1 3.49Å; Y22-H24 WeakPolarHBondContact CB-CE1 3.22Å; Y22-H24 AromaticContact CG-CE1 3.92Å; Y22-H24 PolarHBondContact O-N 3.04Å; H24-I26 VanDerWaalsContact C-N 3.31Å; H24-I26 PolarHBondContact O-N 3.31Å |
| 25 | L | 90.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 53 Ų | 53 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | trans | -95 | 61.6 | 175.7 | -63.3 | 172.8 | 0 | 0 | 0 | 110.3 | Y22 P23 H27 Q28 Y70 | Y22-L25 HydrophobicContact CD2-CD1 3.86Å; Y22-L25 HydrophobicContact CG-CD1 4.44Å; Y22-L25 PolarHBondContact O-N 2.85Å; P23-L25 PolarHBondContact O-N 3.02Å; L25-H27 PolarHBondContact O-N 2.83Å; L25-Q28 HydrophobicContact CB-CG 4.42Å; L25-Q28 WeakPolarHBondContact O-CB 3.49Å; L25-Q28 PolarHBondContact O-N 2.91Å; L25-Y70 WeakPolarHBondContact CD1-OH 3.5Å | ||
| 26 | I | 90.3 | Very high | 92.7 | Very high | 118 Ų | 118 | 50.5 Ų | 50.5 | 61% | 0.605 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -55.6 | -36.8 | -174.3 | -59.3 | 169.8 | 0 | 0 | 0 | 112.1 | H24 Q28 A29 Y32 | H24-I26 VanDerWaalsContact C-N 3.31Å; H24-I26 PolarHBondContact O-N 3.31Å; I26-Q28 PolarHBondContact O-N 2.97Å; I26-A29 PolarHBondContact O-N 2.79Å; I26-Y32 HydrophobicContact CG1-CE2 4.18Å |
| 27 | H | 91.3 | Very high | 92.8 | Very high | 152 Ų | 152 | 46.4 Ų | 46.4 | 70% | 0.704 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -64.7 | -16.9 | -179.7 | 62.2 | -85.8 | 0 | 0 | 0 | 114.1 | L25 | L25-H27 PolarHBondContact O-N 2.83Š|
| 28 | Q | 92.2 | Very high | 92.8 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -89.9 | -23.5 | 174.1 | -65.8 | 176.5 | -12.8 | 0 | 0 | 112 | L25 I26 D30 Y61 Y70 | L25-Q28 HydrophobicContact CB-CG 4.42Å; L25-Q28 WeakPolarHBondContact O-CB 3.49Å; L25-Q28 PolarHBondContact O-N 2.91Å; I26-Q28 PolarHBondContact O-N 2.97Å; Q28-D30 PolarHBondContact O-N 2.83Å; Q28-Y61 HydrophobicContact CB-CE1 4.09Å; Q28-Y61 HydrophobicContact CB-CE2 3.97Å; Q28-Y61 WeakPolarHBondContact CB-OH 3.38Å; Q28-Y61 HydrophobicContact CG-CD1 4.06Å; Q28-Y61 HydrophobicContact CG-CD2 4.28Å; Q28-Y61 HydrophobicContact CG-CE1 3.74Å; Q28-Y61 HydrophobicContact CG-CE2 3.94Å; Q28-Y61 HydrophobicContact CG-CG 4.31Å; Q28-Y61 PolarHBondContact O-OH 2.89Å; Q28-Y61 VanDerWaalsContact O-OH 3.07Å; Q28-Y70 VanDerWaalsContact OE1-CZ 3.3Å; Q28-Y70 PolarHBondContact OE1-OH 2.95Å |
| 29 | A | 91 | Very high | 92.9 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 35% | 0.347 | 24% | 0.241 | S | C | . | . | trans | 57.4 | -12 | 178 | 0 | 0 | 0 | 0 | 0 | 117.6 | I26 Y31 Y32 C33 | I26-A29 PolarHBondContact O-N 2.79Å; A29-Y31 VanDerWaalsContact C-N 3.27Å; A29-Y31 PolarHBondContact O-N 3.04Å; A29-Y31 VanDerWaalsContact O-N 3.15Å; A29-Y32 PolarHBondContact O-N 2.82Å; A29-C33 PolarHBondContact O-N 2.76Å; A29-C33 PolarHBondContact O-SG 2.93Å; A29-C33 VanDerWaalsContact O-SG 3.33Å | ||
| 30 | D | 92.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54.2 | -40.5 | -175.7 | -68.4 | -80.2 | 0 | 0 | 0 | 113.9 | Q28 Y32 C33 K35 I58 Y61 | Q28-D30 PolarHBondContact O-N 2.83Å; D30-Y32 PolarHBondContact O-N 3.45Å; D30-C33 PolarHBondContact O-N 2.87Å; D30-K35 VanDerWaalsContact CB-CE 3.47Å; D30-K35 VanDerWaalsContact CG-CE 3.44Å; D30-K35 WeakPolarHBondContact OD1-CE 3.39Å; D30-K35 IonicContact OD1-NZ 3.06Å; D30-K35 PolarHBondContact OD1-NZ 2.98Å; D30-I58 HydrophobicContact CB-CD1 4.16Å; D30-I58 HydrophobicContact CB-CG1 4.04Å; D30-Y61 WeakPolarHBondContact OD2-CE2 3.01Å; D30-Y61 PolarHBondContact OD2-OH 3.01Å |
| 31 | Y | 91.6 | Very high | 93.3 | Very high | 90 Ų | 90 | 46.5 Ų | 46.5 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.1 | -40 | 179.3 | -179.7 | -88.8 | 0 | 0 | 0 | 111.4 | N20 P23 A29 | N20-Y31 VanDerWaalsContact O-CA 3.29Å; N20-Y31 WeakPolarHBondContact O-CA 3.18Å; P23-Y31 HydrophobicContact CB-CD1 3.62Å; P23-Y31 HydrophobicContact CB-CD2 4.28Å; P23-Y31 HydrophobicContact CB-CE1 3.57Å; P23-Y31 HydrophobicContact CB-CE2 4.23Å; P23-Y31 HydrophobicContact CB-CG 3.99Å; P23-Y31 HydrophobicContact CG-CD1 4.47Å; P23-Y31 HydrophobicContact CG-CD2 4.36Å; P23-Y31 HydrophobicContact CG-CE1 4.2Å; P23-Y31 HydrophobicContact CG-CE2 4.06Å; A29-Y31 VanDerWaalsContact C-N 3.27Å; A29-Y31 PolarHBondContact O-N 3.04Å; A29-Y31 VanDerWaalsContact O-N 3.15Å |
| 32 | Y | 92.2 | Very high | 93.5 | Very high | 140 Ų | 140 | 46.2 Ų | 46.2 | 55% | 0.549 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -84.6 | -23.2 | -176.8 | -61.3 | -75.9 | 0 | 0 | 0 | 112.9 | P23 I26 A29 D30 G34 | P23-Y32 WeakPolarHBondContact O-CE2 2.98Å; P23-Y32 PolarHBondContact O-OH 3.48Å; I26-Y32 HydrophobicContact CG1-CE2 4.18Å; A29-Y32 PolarHBondContact O-N 2.82Å; D30-Y32 PolarHBondContact O-N 3.45Å; Y32-G34 PolarHBondContact O-N 2.82Å |
| 33 | C | 90.1 | Very high | 93.7 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 60% | 0.595 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -69 | -16.8 | 177.4 | -69.7 | 0 | 0 | 0 | 0 | 113.8 | A29 D30 | A29-C33 PolarHBondContact O-N 2.76Å; A29-C33 PolarHBondContact O-SG 2.93Å; A29-C33 VanDerWaalsContact O-SG 3.33Å; D30-C33 PolarHBondContact O-N 2.87Å |
| 34 | G | 87.6 | Confident | 94 | Very high | 47 Ų | 47 | 46 Ų | 46 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 65.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y32 | Y32-G34 PolarHBondContact O-N 2.82Š|
| 35 | K | 95.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 1% | 0.013 | 26% | 0.256 | C | S | . | . | trans | -66 | 148.1 | -179.7 | -63.5 | -176 | -176.1 | -96.2 | 0 | 113 | F17 N20 D30 H56 L57 I58 | F17-K35 HydrophobicContact CD2-CB 4Å; F17-K35 HydrophobicContact CE2-CB 4.48Å; F17-K35 PolarHBondContact N-O 3.36Å; N20-K35 PolarHBondContact ND2-O 2.88Å; N20-K35 WeakPolarHBondContact OD1-CB 3.14Å; D30-K35 VanDerWaalsContact CB-CE 3.47Å; D30-K35 VanDerWaalsContact CG-CE 3.44Å; D30-K35 WeakPolarHBondContact OD1-CE 3.39Å; D30-K35 IonicContact OD1-NZ 3.06Å; D30-K35 PolarHBondContact OD1-NZ 2.98Å; K35-H56 WeakPolarHBondContact CB-O 3.36Å; K35-H56 WeakPolarHBondContact CD-O 3.39Å; K35-H56 WeakPolarHBondContact CG-O 3.49Å; K35-H56 PolarHBondContact NZ-CE1 2.66Å; K35-H56 VanDerWaalsContact NZ-CE1 3.28Å; K35-H56 PolarHBondContact NZ-NE2 3.36Å; K35-L57 PolarHBondContact NZ-O 2.85Å; K35-I58 HydrophobicContact CD-CB 3.86Å; K35-I58 HydrophobicContact CD-CG1 4.44Å; K35-I58 VanDerWaalsContact CE-CA 3.43Å | ||
| 36 | G | 97.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -168.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | M1 H15 F17 T55 | M1-G36 WeakPolarHBondContact CE-O 3.49Å; H15-G36 CarbonylContact O-C 3.55Å; H15-G36 WeakPolarHBondContact O-CA 3.34Å; F17-G36 VanDerWaalsContact CD2-CA 3.44Å; F17-G36 WeakPolarHBondContact CE2-O 3.48Å; F17-G36 WeakPolarHBondContact CZ-O 3.42Å; G36-T55 PolarHBondContact O-OG1 2.95Å |
| 37 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.8 | 170.1 | 178.8 | 158.4 | 0 | 0 | 0 | 110.2 | T14 H15 F17 Y53 V54 V81 F84 V85 | T14-I37 CarbonylContact C-O 3.55Å; T14-I37 WeakPolarHBondContact CA-O 3.39Å; H15-I37 HydrophobicContact CB-CG2 3.83Å; H15-I37 PolarHBondContact N-O 2.97Å; H15-I37 PolarHBondContact O-N 2.94Å; F17-I37 HydrophobicContact CE1-CB 4.19Å; F17-I37 HydrophobicContact CE1-CG2 3.97Å; F17-I37 HydrophobicContact CZ-CB 4.13Å; F17-I37 HydrophobicContact CZ-CG2 4.41Å; I37-Y53 HydrophobicContact CD1-CD1 4.07Å; I37-Y53 HydrophobicContact CD1-CG 4.46Å; I37-Y53 HydrophobicContact CG1-CD1 4.42Å; I37-V54 CarbonylContact C-O 3.53Å; I37-V54 WeakPolarHBondContact CA-O 3.33Å; I37-V81 HydrophobicContact CB-CG2 4.29Å; I37-V81 HydrophobicContact CD1-CB 4.25Å; I37-V81 HydrophobicContact CD1-CG1 3.66Å; I37-V81 HydrophobicContact CD1-CG2 4.12Å; I37-F84 HydrophobicContact CB-CD1 4.49Å; I37-F84 HydrophobicContact CD1-CD1 3.8Å; I37-F84 HydrophobicContact CD1-CE1 4.35Å; I37-F84 HydrophobicContact CG1-CD1 3.98Å; I37-F84 HydrophobicContact CG1-CE1 4.14Å; I37-F84 HydrophobicContact CG2-CB 4.25Å; I37-F84 HydrophobicContact CG2-CD1 3.66Å; I37-F84 HydrophobicContact CG2-CD2 4.44Å; I37-F84 HydrophobicContact CG2-CE1 4.11Å; I37-F84 HydrophobicContact CG2-CG 3.84Å; I37-V85 HydrophobicContact CD1-CG2 4.07Å |
| 38 | G | 98.2 | Very high | 95 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 146.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F13 Y53 V54 | F13-G38 WeakPolarHBondContact O-CA 3.33Å; G38-Y53 CarbonylContact O-C 3.56Å; G38-Y53 WeakPolarHBondContact O-CA 3.25Å; G38-V54 PolarHBondContact N-O 2.66Å; G38-V54 PolarHBondContact O-N 3.09Å |
| 39 | L | 98.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.5 | 172.1 | 162.1 | 63.8 | 0 | 0 | 0 | 108.8 | V12 F13 N51 F52 Y53 F84 T88 | V12-L39 CarbonylContact C-O 3.57Å; V12-L39 WeakPolarHBondContact CA-O 3.45Å; F13-L39 PolarHBondContact N-O 3.22Å; F13-L39 PolarHBondContact O-N 2.88Å; L39-N51 HydrophobicContact CD1-CB 3.7Å; L39-F52 CarbonylContact C-O 3.54Å; L39-F52 WeakPolarHBondContact CA-O 3.1Å; L39-Y53 HydrophobicContact CB-CD1 4.03Å; L39-Y53 HydrophobicContact CB-CE1 4.07Å; L39-Y53 HydrophobicContact CD1-CD1 4.02Å; L39-Y53 HydrophobicContact CD1-CE1 3.6Å; L39-Y53 HydrophobicContact CD1-CE2 4.41Å; L39-Y53 HydrophobicContact CD2-CE1 4.23Å; L39-Y53 HydrophobicContact CG-CE1 4.17Å; L39-F84 HydrophobicContact CB-CE1 3.94Å; L39-F84 HydrophobicContact CB-CZ 4.03Å; L39-F84 HydrophobicContact CD2-CE1 4.49Å; L39-F84 HydrophobicContact CD2-CZ 4.28Å; L39-T88 HydrophobicContact CD2-CG2 4.26Å |
| 40 | A | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.017 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 124.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I3 I9 C11 V12 I42 F52 | I3-A40 HydrophobicContact CB-CB 4.41Å; I3-A40 HydrophobicContact CD1-CB 3.65Å; I3-A40 HydrophobicContact CG2-CB 4.11Å; I9-A40 HydrophobicContact CG2-CB 4.15Å; C11-A40 WeakPolarHBondContact O-CA 3.43Å; V12-A40 HydrophobicContact CG1-CB 4.16Å; A40-I42 HydrophobicContact CB-CD1 4.46Å; A40-I42 HydrophobicContact CB-CG1 4.44Å; A40-F52 PolarHBondContact N-O 2.93Å; A40-F52 PolarHBondContact O-N 3.25Å |
| 41 | R | 97.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.2 | 168.7 | -178.3 | 167.9 | -70.3 | 177.9 | -1.6 | 108.8 | I9 E10 C11 N51 T90 | I9-R41 CarbonylContact C-O 3.54Å; E10-R41 HydrophobicContact CB-CB 4.48Å; E10-R41 HydrophobicContact CB-CG 4.42Å; E10-R41 PolarHBondContact N-O 3.04Å; E10-R41 VanDerWaalsContact OE2-CD 3.22Å; E10-R41 WeakPolarHBondContact OE2-CD 3.47Å; E10-R41 WeakPolarHBondContact OE2-CG 3.33Å; C11-R41 PolarHBondContact O-N 3.04Å; R41-N51 PolarHBondContact NE-OD1 3.08Å; R41-N51 PolarHBondContact NH2-OD1 3.01Å; R41-T90 PolarHBondContact NH2-O 3.33Å |
| 42 | I | 98.2 | Very high | 96 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 130.2 | -176.9 | -68.6 | 165.6 | 0 | 0 | 0 | 109.1 | I3 S5 W7 T8 I9 A40 I50 F52 | I3-I42 HydrophobicContact CG2-CD1 4.09Å; S5-I42 WeakPolarHBondContact OG-CG2 3.48Å; W7-I42 HydrophobicContact CB-CG2 3.82Å; W7-I42 HydrophobicContact CE3-CG2 3.99Å; T8-I42 WeakPolarHBondContact O-CA 3.49Å; I9-I42 HydrophobicContact CG1-CD1 4.47Å; I9-I42 HydrophobicContact CG1-CG1 3.98Å; A40-I42 HydrophobicContact CB-CD1 4.46Å; A40-I42 HydrophobicContact CB-CG1 4.44Å; I42-I50 PolarHBondContact N-O 3.28Å; I42-I50 PolarHBondContact O-N 2.87Å; I42-F52 HydrophobicContact CB-CD2 4.16Å; I42-F52 HydrophobicContact CB-CE2 4.34Å; I42-F52 HydrophobicContact CD1-CB 4.33Å; I42-F52 HydrophobicContact CD1-CD2 3.57Å; I42-F52 HydrophobicContact CD1-CE2 4.04Å; I42-F52 HydrophobicContact CD1-CG 4.06Å; I42-F52 HydrophobicContact CG1-CD2 4.25Å |
| 43 | T | 97.9 | Very high | 96.3 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.1 | 172.9 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | W7 T8 E10 F48 | W7-T43 WeakPolarHBondContact CB-O 3.16Å; T8-T43 PolarHBondContact O-N 2.64Å; E10-T43 WeakPolarHBondContact OE1-CB 3.37Å; E10-T43 PolarHBondContact OE1-OG1 3.13Å; T43-F48 CarbonylContact C-O 3.58Å; T43-F48 WeakPolarHBondContact CA-O 3.02Å |
| 44 | S | 96.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | trans | -66.6 | 164.3 | -179.5 | 75.1 | 0 | 0 | 0 | 0 | 112.1 | E46 G47 F48 | S44-E46 PolarHBondContact O-N 3.13Å; S44-E46 VanDerWaalsContact O-N 3.13Å; S44-G47 WeakPolarHBondContact O-CA 3.33Å; S44-G47 PolarHBondContact O-N 2.75Å; S44-F48 PolarHBondContact N-O 3.08Å; S44-F48 WeakPolarHBondContact OG-CB 3.31Å; S44-F48 WeakPolarHBondContact OG-CD2 3.27Å; S44-F48 PolarHBondContact OG-N 3.36Å; S44-F48 VanDerWaalsContact OG-N 3.11Å | ||
| 45 | K | 96 | Very high | 97.2 | Very high | 174 Ų | 174 | 32.4 Ų | 32.4 | 76% | 0.757 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -36 | 176.3 | -175.7 | -175.3 | 174.7 | -169.1 | 0 | 113 | G47 | K45-G47 VanDerWaalsContact C-N 3.27Å; K45-G47 PolarHBondContact O-N 2.86Å |
| 46 | E | 95 | Very high | 97.3 | Very high | 117 Ų | 117 | 35.3 Ų | 35.3 | 55% | 0.547 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.9 | -179.6 | -61.7 | -55.7 | 138.7 | 0 | 0 | 113 | S44 F48 R225 | S44-E46 PolarHBondContact O-N 3.13Å; S44-E46 VanDerWaalsContact O-N 3.13Å; E46-F48 HydrophobicContact CB-CD2 3.94Å; E46-F48 HydrophobicContact CB-CE2 3.88Å; E46-R225 VanDerWaalsContact O-CZ 3.25Å; E46-R225 PolarHBondContact O-NH1 2.77Å; E46-R225 PolarHBondContact O-NH2 2.97Å |
| 47 | G | 95.5 | Very high | 97.4 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 38% | 0.381 | 17% | 0.171 | S | C | . | . | trans | 86.3 | 27.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S44 K45 R225 | S44-G47 WeakPolarHBondContact O-CA 3.33Å; S44-G47 PolarHBondContact O-N 2.75Å; K45-G47 VanDerWaalsContact C-N 3.27Å; K45-G47 PolarHBondContact O-N 2.86Å; G47-R225 PolarHBondContact O-NH2 2.79Å | ||
| 48 | F | 95.9 | Very high | 97.3 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | trans | -88.4 | 132.7 | 169.8 | -63.3 | -85.7 | 0 | 0 | 0 | 110.4 | T43 S44 E46 I50 D93 A188 I223 R225 | T43-F48 CarbonylContact C-O 3.58Å; T43-F48 WeakPolarHBondContact CA-O 3.02Å; S44-F48 PolarHBondContact N-O 3.08Å; S44-F48 WeakPolarHBondContact OG-CB 3.31Å; S44-F48 WeakPolarHBondContact OG-CD2 3.27Å; S44-F48 PolarHBondContact OG-N 3.36Å; S44-F48 VanDerWaalsContact OG-N 3.11Å; E46-F48 HydrophobicContact CB-CD2 3.94Å; E46-F48 HydrophobicContact CB-CE2 3.88Å; F48-I50 HydrophobicContact CB-CG1 4.43Å; F48-D93 WeakPolarHBondContact CA-OD2 3.48Å; F48-D93 HydrophobicContact CB-CB 4.48Å; F48-D93 HydrophobicContact CD1-CB 4.26Å; F48-A188 HydrophobicContact CD1-CB 4.12Å; F48-A188 HydrophobicContact CE1-CB 4Å; F48-I223 HydrophobicContact CB-CD1 3.96Å; F48-I223 HydrophobicContact CD1-CD1 3.64Å; F48-I223 HydrophobicContact CD1-CG1 3.84Å; F48-I223 HydrophobicContact CD1-CG2 4.49Å; F48-I223 HydrophobicContact CD2-CG2 3.78Å; F48-I223 HydrophobicContact CE1-CD1 4.17Å; F48-I223 HydrophobicContact CE1-CG1 3.84Å; F48-I223 HydrophobicContact CE2-CG2 3.82Å; F48-I223 HydrophobicContact CG-CD1 3.84Å; F48-I223 HydrophobicContact CG-CG1 4.22Å; F48-I223 HydrophobicContact CG-CG2 4.11Å; F48-I223 HydrophobicContact CZ-CG1 4.23Å; F48-I223 HydrophobicContact CZ-CG2 4.17Å; F48-R225 HydrophobicContact CD1-CG 4.41Å; F48-R225 HydrophobicContact CE1-CB 4.38Å; F48-R225 HydrophobicContact CE1-CG 3.37Å; F48-R225 HydrophobicContact CZ-CB 4.43Å; F48-R225 HydrophobicContact CZ-CG 3.5Å | ||
| 49 | R | 95.6 | Very high | 97.2 | Very high | 128 Ų | 128 | 35.8 Ų | 35.8 | 48% | 0.483 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.3 | 173.8 | -70.2 | -178.5 | 178.2 | 138.1 | 2.3 | 110.5 | S92 D93 A94 | R49-S92 CarbonylContact O-C 3.59Å; R49-D93 PolarHBondContact N-OD2 3.25Å; R49-D93 WeakPolarHBondContact O-CB 3.34Å; R49-D93 PolarHBondContact O-N 3.12Å; R49-A94 PolarHBondContact O-N 3.01Å |
| 50 | I | 96.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.2 | -177.6 | -52 | 169.5 | 0 | 0 | 0 | 108.4 | I42 F48 F52 A94 I96 I223 | I42-I50 PolarHBondContact N-O 3.28Å; I42-I50 PolarHBondContact O-N 2.87Å; F48-I50 HydrophobicContact CB-CG1 4.43Å; I50-F52 HydrophobicContact CB-CD2 4.11Å; I50-F52 HydrophobicContact CB-CE2 3.76Å; I50-F52 HydrophobicContact CD1-CE2 4.38Å; I50-F52 HydrophobicContact CG2-CD2 3.66Å; I50-F52 HydrophobicContact CG2-CE2 3.34Å; I50-F52 HydrophobicContact CG2-CZ 4.05Å; I50-A94 WeakPolarHBondContact CA-O 3.15Å; I50-A94 HydrophobicContact CG2-CB 4.39Å; I50-I96 HydrophobicContact CG2-CD1 4.28Å; I50-I96 HydrophobicContact CG2-CG1 4.45Å; I50-I223 HydrophobicContact CG1-CD1 4.46Å |
| 51 | N | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.2 | 168.8 | -73.9 | 8.3 | 0 | 0 | 0 | 108.7 | L39 R41 Y53 T88 A94 I95 I96 | L39-N51 HydrophobicContact CD1-CB 3.7Å; R41-N51 PolarHBondContact NE-OD1 3.08Å; R41-N51 PolarHBondContact NH2-OD1 3.01Å; N51-Y53 HydrophobicContact CB-CD2 4.43Å; N51-Y53 HydrophobicContact CB-CE2 3.59Å; N51-Y53 PolarHBondContact ND2-OH 2.85Å; N51-T88 PolarHBondContact ND2-O 2.98Å; N51-A94 PolarHBondContact N-O 3.49Å; N51-I95 HydrophobicContact CB-CG2 4.05Å; N51-I95 WeakPolarHBondContact O-CA 3.33Å; N51-I96 PolarHBondContact O-N 2.83Å |
| 52 | F | 98.2 | Very high | 96.8 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 128.5 | 169.6 | -79.1 | -97.7 | 0 | 0 | 0 | 109.5 | I3 L39 A40 I42 I50 I96 | I3-F52 HydrophobicContact CD1-CB 4.26Å; L39-F52 CarbonylContact C-O 3.54Å; L39-F52 WeakPolarHBondContact CA-O 3.1Å; A40-F52 PolarHBondContact N-O 2.93Å; A40-F52 PolarHBondContact O-N 3.25Å; I42-F52 HydrophobicContact CB-CD2 4.16Å; I42-F52 HydrophobicContact CB-CE2 4.34Å; I42-F52 HydrophobicContact CD1-CB 4.33Å; I42-F52 HydrophobicContact CD1-CD2 3.57Å; I42-F52 HydrophobicContact CD1-CE2 4.04Å; I42-F52 HydrophobicContact CD1-CG 4.06Å; I42-F52 HydrophobicContact CG1-CD2 4.25Å; I50-F52 HydrophobicContact CB-CD2 4.11Å; I50-F52 HydrophobicContact CB-CE2 3.76Å; I50-F52 HydrophobicContact CD1-CE2 4.38Å; I50-F52 HydrophobicContact CG2-CD2 3.66Å; I50-F52 HydrophobicContact CG2-CE2 3.34Å; I50-F52 HydrophobicContact CG2-CZ 4.05Å; F52-I96 CarbonylContact C-O 3.54Å; F52-I96 WeakPolarHBondContact CA-O 2.9Å; F52-I96 HydrophobicContact CD1-CB 3.91Å; F52-I96 HydrophobicContact CD1-CD1 4.38Å; F52-I96 HydrophobicContact CD1-CG2 4.03Å; F52-I96 HydrophobicContact CE1-CB 3.93Å; F52-I96 HydrophobicContact CE1-CD1 3.55Å; F52-I96 HydrophobicContact CE1-CG1 4.3Å; F52-I96 HydrophobicContact CE1-CG2 3.99Å; F52-I96 HydrophobicContact CE2-CD1 4.39Å; F52-I96 HydrophobicContact CZ-CD1 3.57Å |
| 53 | Y | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141 | 174.3 | -55.8 | -92.3 | 0 | 0 | 0 | 109.4 | I37 G38 L39 N51 F84 V85 T88 S89 I95 I96 I97 T98 | I37-Y53 HydrophobicContact CD1-CD1 4.07Å; I37-Y53 HydrophobicContact CD1-CG 4.46Å; I37-Y53 HydrophobicContact CG1-CD1 4.42Å; G38-Y53 CarbonylContact O-C 3.56Å; G38-Y53 WeakPolarHBondContact O-CA 3.25Å; L39-Y53 HydrophobicContact CB-CD1 4.03Å; L39-Y53 HydrophobicContact CB-CE1 4.07Å; L39-Y53 HydrophobicContact CD1-CD1 4.02Å; L39-Y53 HydrophobicContact CD1-CE1 3.6Å; L39-Y53 HydrophobicContact CD1-CE2 4.41Å; L39-Y53 HydrophobicContact CD2-CE1 4.23Å; L39-Y53 HydrophobicContact CG-CE1 4.17Å; N51-Y53 HydrophobicContact CB-CD2 4.43Å; N51-Y53 HydrophobicContact CB-CE2 3.59Å; N51-Y53 PolarHBondContact ND2-OH 2.85Å; Y53-F84 HydrophobicContact CD1-CD1 4.17Å; Y53-F84 AromaticContact CD1-CE1 3.85Å; Y53-F84 HydrophobicContact CD1-CE1 3.85Å; Y53-F84 HydrophobicContact CE1-CD1 4.1Å; Y53-F84 AromaticContact CE1-CE1 3.76Å; Y53-F84 HydrophobicContact CE1-CE1 3.76Å; Y53-V85 HydrophobicContact CD1-CG2 3.92Å; Y53-V85 HydrophobicContact CD2-CG2 4.32Å; Y53-V85 HydrophobicContact CE1-CG2 4Å; Y53-V85 HydrophobicContact CE2-CG1 4.29Å; Y53-V85 HydrophobicContact CE2-CG2 4.4Å; Y53-V85 HydrophobicContact CG-CG2 4.08Å; Y53-T88 VanDerWaalsContact CE1-OG1 3.27Å; Y53-T88 WeakPolarHBondContact CE1-OG1 3.49Å; Y53-T88 PolarHBondContact OH-OG1 2.82Å; Y53-T88 VanDerWaalsContact OH-OG1 3.09Å; Y53-S89 WeakPolarHBondContact OH-CA 3.37Å; Y53-S89 PolarHBondContact OH-N 3.22Å; Y53-I95 HydrophobicContact CE2-CB 3.97Å; Y53-I95 HydrophobicContact CE2-CG2 4.07Å; Y53-I96 PolarHBondContact N-O 3.44Å; Y53-I97 HydrophobicContact CD2-CG1 3.67Å; Y53-I97 HydrophobicContact CE2-CG1 4.47Å; Y53-I97 HydrophobicContact CG-CG1 4.13Å; Y53-T98 PolarHBondContact O-N 2.92Å; Y53-T98 PolarHBondContact O-OG1 3.33Å |
| 54 | V | 98.5 | Very high | 96.3 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.7 | 171.7 | 63.1 | 0 | 0 | 0 | 0 | 109.1 | M1 I3 I37 G38 T98 | M1-V54 HydrophobicContact CB-CG1 3.92Å; M1-V54 HydrophobicContact CB-CG2 4.1Å; M1-V54 HydrophobicContact CG-CG2 4.31Å; M1-V54 HydrophobicContact SD-CG1 4.46Å; I3-V54 HydrophobicContact CD1-CB 4.35Å; I3-V54 HydrophobicContact CD1-CG1 3.86Å; I3-V54 HydrophobicContact CG1-CB 4.22Å; I3-V54 HydrophobicContact CG1-CG1 3.76Å; I37-V54 CarbonylContact C-O 3.53Å; I37-V54 WeakPolarHBondContact CA-O 3.33Å; G38-V54 PolarHBondContact N-O 2.66Å; G38-V54 PolarHBondContact O-N 3.09Å; V54-T98 CarbonylContact C-O 3.52Å; V54-T98 VanDerWaalsContact CA-O 3.26Å; V54-T98 WeakPolarHBondContact CA-O 3.38Å |
| 55 | T | 98.5 | Very high | 96 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 158.6 | 178 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | M1 F17 G36 L57 T98 G99 D100 F101 | M1-T55 VanDerWaalsContact SD-C 3.55Å; M1-T55 VanDerWaalsContact SD-CA 3.59Å; F17-T55 WeakPolarHBondContact CZ-OG1 3.2Å; G36-T55 PolarHBondContact O-OG1 2.95Å; T55-L57 WeakPolarHBondContact OG1-CD2 3.5Å; T55-T98 PolarHBondContact N-O 2.72Å; T55-G99 VanDerWaalsContact O-CA 3.32Å; T55-G99 WeakPolarHBondContact O-CA 3.31Å; T55-D100 PolarHBondContact O-N 3.25Å; T55-F101 HydrophobicContact CG2-CD1 4.49Å; T55-F101 HydrophobicContact CG2-CD2 4.11Å; T55-F101 HydrophobicContact CG2-CE1 4.12Å; T55-F101 HydrophobicContact CG2-CE2 3.71Å; T55-F101 HydrophobicContact CG2-CG 4.49Å; T55-F101 HydrophobicContact CG2-CZ 3.71Å |
| 56 | H | 97.6 | Very high | 95.7 | Very high | 64 Ų | 64 | 46.9 Ų | 46.9 | 30% | 0.296 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 101.2 | 169.1 | 177.5 | -158.9 | 0 | 0 | 0 | 108 | M1 K35 D100 | M1-H56 HydrophobicContact CG-CB 4.02Å; M1-H56 HydrophobicContact SD-CB 4.05Å; M1-H56 PolarHBondContact SD-N 3.47Å; K35-H56 WeakPolarHBondContact CB-O 3.36Å; K35-H56 WeakPolarHBondContact CD-O 3.39Å; K35-H56 WeakPolarHBondContact CG-O 3.49Å; K35-H56 PolarHBondContact NZ-CE1 2.66Å; K35-H56 VanDerWaalsContact NZ-CE1 3.28Å; K35-H56 PolarHBondContact NZ-NE2 3.36Å; H56-D100 WeakPolarHBondContact CA-O 3.26Å; H56-D100 IonicContact CD2-OD2 2.79Å; H56-D100 IonicContact NE2-OD2 3.42Å |
| 57 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -78.7 | 166.3 | -179.4 | -55 | -161.9 | 0 | 0 | 0 | 111.1 | F17 K35 T55 Q77 L78 V81 D100 F101 N102 L103 | F17-L57 HydrophobicContact CD2-CD2 4.45Å; F17-L57 HydrophobicContact CE2-CD2 3.5Å; F17-L57 HydrophobicContact CZ-CD2 3.75Å; K35-L57 PolarHBondContact NZ-O 2.85Å; T55-L57 WeakPolarHBondContact OG1-CD2 3.5Å; L57-Q77 HydrophobicContact CD2-CB 3.79Å; L57-L78 HydrophobicContact CD1-CB 3.99Å; L57-L78 HydrophobicContact CD1-CD1 4.02Å; L57-V81 HydrophobicContact CD2-CG2 4.13Å; L57-D100 PolarHBondContact N-O 3.45Å; L57-F101 WeakPolarHBondContact CB-O 3.36Å; L57-F101 HydrophobicContact CD1-CD1 4.33Å; L57-F101 WeakPolarHBondContact CD1-O 3.27Å; L57-N102 PolarHBondContact O-ND2 3.33Å; L57-L103 HydrophobicContact CD1-CD1 4.19Å |
| 58 | I | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 136.7 | -178.3 | -168.8 | 165.6 | 0 | 0 | 0 | 112.6 | D30 K35 Y70 H73 R74 N102 | D30-I58 HydrophobicContact CB-CD1 4.16Å; D30-I58 HydrophobicContact CB-CG1 4.04Å; K35-I58 HydrophobicContact CD-CB 3.86Å; K35-I58 HydrophobicContact CD-CG1 4.44Å; K35-I58 VanDerWaalsContact CE-CA 3.43Å; I58-Y70 HydrophobicContact CD1-CD1 3.6Å; I58-Y70 HydrophobicContact CD1-CE1 3.9Å; I58-Y70 HydrophobicContact CD1-CG 4.15Å; I58-Y70 HydrophobicContact CG1-CD1 4.42Å; I58-Y70 HydrophobicContact CG1-CG 4.5Å; I58-H73 HydrophobicContact CG2-CB 3.8Å; I58-R74 HydrophobicContact CG2-CB 4.34Å; I58-R74 HydrophobicContact CG2-CG 3.51Å; I58-R74 WeakPolarHBondContact O-CD 3.36Å; I58-R74 WeakPolarHBondContact O-CG 3.14Å; I58-R74 PolarHBondContact O-NH1 3.02Å; I58-N102 VanDerWaalsContact O-CB 3.31Å; I58-N102 WeakPolarHBondContact O-CB 3.4Å |
| 59 | A | 96.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 150.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y61 R74 N102 | A59-Y61 HydrophobicContact CB-CE2 3.88Å; A59-Y61 WeakPolarHBondContact O-CD2 3.15Å; A59-R74 PolarHBondContact O-NH1 2.92Å; A59-N102 WeakPolarHBondContact CA-OD1 3.43Å |
| 60 | R | 95.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 42.8 Ų | 42.8 | 9% | 0.087 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 121.9 | 172.9 | -171.7 | 168.8 | 60.3 | 121.5 | -7.3 | 108.4 | E62 L63 R74 E104 W157 Y161 E165 | R60-E62 WeakPolarHBondContact CD-O 3.27Å; R60-E62 WeakPolarHBondContact CG-O 3.13Å; R60-E62 PolarHBondContact NH1-O 3.28Å; R60-L63 PolarHBondContact NH1-O 3.48Å; R60-R74 VanDerWaalsContact CA-NH1 3.29Å; R60-R74 VanDerWaalsContact CB-NH2 3.26Å; R60-R74 VanDerWaalsContact CG-NH2 3.28Å; R60-E104 IonicContact CZ-OE1 2.76Å; R60-E104 IonicContact NE-OE1 3.54Å; R60-E104 IonicContact NH2-OE1 3.47Å; R60-E104 PolarHBondContact NH2-OE1 2.91Å; R60-W157 HydrophobicContact CB-CH2 4.16Å; R60-W157 HydrophobicContact CG-CH2 3.94Å; R60-Y161 PolarHBondContact NH1-OH 3.25Å; R60-Y161 PolarHBondContact NH2-OH 3.48Å; R60-E165 VanDerWaalsContact NH2-CD 3.31Å; R60-E165 IonicContact NH2-OE1 3.04Å; R60-E165 PolarHBondContact NH2-OE1 3.04Å; R60-E165 IonicContact NH2-OE2 3.1Å; R60-E165 PolarHBondContact NH2-OE2 3.22Å |
| 61 | Y | 94.2 | Very high | 95.6 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | trans | -101.9 | -8.1 | -177.6 | -71.8 | -75.3 | 0 | 0 | 0 | 113.8 | Q28 D30 A59 Y70 | Q28-Y61 HydrophobicContact CB-CE1 4.09Å; Q28-Y61 HydrophobicContact CB-CE2 3.97Å; Q28-Y61 WeakPolarHBondContact CB-OH 3.38Å; Q28-Y61 HydrophobicContact CG-CD1 4.06Å; Q28-Y61 HydrophobicContact CG-CD2 4.28Å; Q28-Y61 HydrophobicContact CG-CE1 3.74Å; Q28-Y61 HydrophobicContact CG-CE2 3.94Å; Q28-Y61 HydrophobicContact CG-CG 4.31Å; Q28-Y61 PolarHBondContact O-OH 2.89Å; Q28-Y61 VanDerWaalsContact O-OH 3.07Å; D30-Y61 WeakPolarHBondContact OD2-CE2 3.01Å; D30-Y61 PolarHBondContact OD2-OH 3.01Å; A59-Y61 HydrophobicContact CB-CE2 3.88Å; A59-Y61 WeakPolarHBondContact O-CD2 3.15Å; Y61-Y70 AromaticContact CD2-CD2 3.73Å; Y61-Y70 HydrophobicContact CD2-CD2 3.73Å; Y61-Y70 AromaticContact CD2-CE2 3.52Å; Y61-Y70 HydrophobicContact CD2-CE2 3.52Å; Y61-Y70 HydrophobicContact CE2-CD2 4.5Å; Y61-Y70 HydrophobicContact CE2-CE2 4.2Å; Y61-Y70 HydrophobicContact CG-CE2 4.41Å | ||
| 62 | E | 94.5 | Very high | 95.6 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 34% | 0.336 | 21% | 0.205 | S | C | . | . | trans | -122.8 | 127.7 | -177.6 | -60.2 | -64 | 169.2 | 0 | 0 | 109.9 | R60 D64 L67 | R60-E62 WeakPolarHBondContact CD-O 3.27Å; R60-E62 WeakPolarHBondContact CG-O 3.13Å; R60-E62 PolarHBondContact NH1-O 3.28Å; E62-D64 VanDerWaalsContact C-N 3.33Å; E62-L67 HydrophobicContact CB-CB 4.19Å; E62-L67 HydrophobicContact CG-CB 4.23Å | ||
| 63 | L | 92.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 41.4 Ų | 41.4 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -64.9 | -40.5 | 177.7 | -179.9 | 66.7 | 0 | 0 | 0 | 111 | R60 R65 L156 W157 T160 Y161 | R60-L63 PolarHBondContact NH1-O 3.48Å; L63-R65 PolarHBondContact O-N 3.37Å; L63-L156 HydrophobicContact CD2-CD1 4.47Å; L63-L156 HydrophobicContact CD2-CD2 4.3Å; L63-L156 HydrophobicContact CD2-CG 4.02Å; L63-W157 HydrophobicContact CB-CZ2 4.15Å; L63-W157 HydrophobicContact CD1-CD2 3.8Å; L63-W157 HydrophobicContact CD1-CE3 4.05Å; L63-W157 HydrophobicContact CD1-CG 4.06Å; L63-T160 HydrophobicContact CD1-CG2 4.01Å; L63-T160 HydrophobicContact CD2-CG2 4.06Å; L63-T160 VanDerWaalsContact CD2-OG1 3.32Å; L63-T160 WeakPolarHBondContact CD2-OG1 3.33Å; L63-T160 HydrophobicContact CG-CG2 4.33Å; L63-Y161 HydrophobicContact CD1-CD2 4.33Å; L63-Y161 HydrophobicContact CD1-CE2 3.49Å; L63-Y161 VanDerWaalsContact CD1-CE2 3.49Å |
| 64 | D | 93.3 | Very high | 95.5 | Very high | 84 Ų | 84 | 41.5 Ų | 41.5 | 45% | 0.449 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -76.3 | 113.6 | 171 | -175.9 | -4.7 | 0 | 0 | 0 | 110.2 | E62 M66 L67 D68 | E62-D64 VanDerWaalsContact C-N 3.33Å; D64-M66 PolarHBondContact O-N 2.87Å; D64-M66 VanDerWaalsContact O-N 3.16Å; D64-M66 WeakPolarHBondContact OD1-CB 3.32Å; D64-M66 PolarHBondContact OD1-N 3.34Å; D64-L67 HydrophobicContact CB-CB 4.43Å; D64-L67 HydrophobicContact CB-CD1 4.07Å; D64-L67 HydrophobicContact CB-CG 4.07Å; D64-L67 PolarHBondContact O-N 3.08Å; D64-D68 PolarHBondContact O-N 2.67Å |
| 65 | R | 90.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 40.7 Ų | 40.7 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.8 | 178.9 | -61.6 | 178.8 | -173.3 | -98 | -2.1 | 113.2 | L63 L67 D68 E104 E165 | L63-R65 PolarHBondContact O-N 3.37Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-D68 WeakPolarHBondContact O-CB 3.46Å; R65-E104 VanDerWaalsContact CZ-CD 3.49Å; R65-E104 IonicContact CZ-OE1 2.54Å; R65-E104 IonicContact CZ-OE2 2.97Å; R65-E104 IonicContact NH1-OE1 3.39Å; R65-E104 PolarHBondContact NH1-OE1 2.88Å; R65-E104 IonicContact NH1-OE2 3.83Å; R65-E104 PolarHBondContact NH1-OE2 3Å; R65-E104 IonicContact NH2-OE1 2.78Å; R65-E104 PolarHBondContact NH2-OE1 3.03Å; R65-E104 IonicContact NH2-OE2 3.62Å; R65-E104 PolarHBondContact NH2-OE2 2.85Å; R65-E165 IonicContact NH2-OE1 2.68Å |
| 66 | M | 89.3 | Confident | 95.5 | Very high | 135 Ų | 135 | 40.6 Ų | 40.6 | 67% | 0.665 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -21.3 | 176.2 | -64.4 | -58.5 | -64.4 | 0 | 0 | 112.5 | D64 | D64-M66 PolarHBondContact O-N 2.87Å; D64-M66 VanDerWaalsContact O-N 3.16Å; D64-M66 WeakPolarHBondContact OD1-CB 3.32Å; D64-M66 PolarHBondContact OD1-N 3.34Å |
| 67 | L | 93.9 | Very high | 95.6 | Very high | 110 Ų | 110 | 37.6 Ų | 37.6 | 58% | 0.576 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -7.9 | 176.5 | -58.2 | -178.3 | 0 | 0 | 0 | 112.8 | E62 D64 R65 R69 | E62-L67 HydrophobicContact CB-CB 4.19Å; E62-L67 HydrophobicContact CG-CB 4.23Å; D64-L67 HydrophobicContact CB-CB 4.43Å; D64-L67 HydrophobicContact CB-CD1 4.07Å; D64-L67 HydrophobicContact CB-CG 4.07Å; D64-L67 PolarHBondContact O-N 3.08Å; R65-L67 VanDerWaalsContact C-N 3.29Å; L67-R69 PolarHBondContact O-N 3.22Å |
| 68 | D | 95.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | trans | -70.5 | 91.1 | -178.6 | 172 | 34.6 | 0 | 0 | 0 | 112.7 | D64 R65 Y70 N71 R74 | D64-D68 PolarHBondContact O-N 2.67Å; R65-D68 WeakPolarHBondContact O-CB 3.46Å; D68-Y70 PolarHBondContact O-N 2.65Å; D68-Y70 VanDerWaalsContact O-N 3.12Å; D68-Y70 PolarHBondContact OD1-N 2.82Å; D68-N71 WeakPolarHBondContact O-CB 3.25Å; D68-N71 PolarHBondContact O-N 3Å; D68-N71 PolarHBondContact OD1-N 3.27Å; D68-N71 WeakPolarHBondContact OD2-CA 3.4Å; D68-N71 VanDerWaalsContact OD2-CB 3.27Å; D68-N71 WeakPolarHBondContact OD2-CB 3.45Å; D68-N71 PolarHBondContact OD2-N 2.94Å; D68-R74 IonicContact OD1-CZ 3.48Å; D68-R74 IonicContact OD1-NH2 3.22Å; D68-R74 PolarHBondContact OD1-NH2 3.29Å; D68-R74 IonicContact OD2-CZ 2.66Å; D68-R74 IonicContact OD2-NH2 3.37Å; D68-R74 PolarHBondContact OD2-NH2 2.84Å | ||
| 69 | R | 94.5 | Very high | 95.6 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -10 | 173.3 | 63.6 | -175.8 | 145.9 | -179 | -7.1 | 114.9 | L67 | L67-R69 PolarHBondContact O-N 3.22Š|
| 70 | Y | 96.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -1.6 | -179.9 | -62.4 | -63.4 | 0 | 0 | 0 | 113.4 | Y22 L25 Q28 I58 Y61 D68 G72 H73 R74 | Y22-Y70 AromaticContact CD2-CE1 3.49Å; Y22-Y70 HydrophobicContact CD2-CE1 3.49Å; Y22-Y70 VanDerWaalsContact CD2-CE1 3.49Å; Y22-Y70 AromaticContact CD2-CZ 3.83Å; Y22-Y70 WeakPolarHBondContact CD2-OH 3.19Å; Y22-Y70 HydrophobicContact CE2-CD1 4.21Å; Y22-Y70 AromaticContact CE2-CE1 3.44Å; Y22-Y70 HydrophobicContact CE2-CE1 3.44Å; Y22-Y70 VanDerWaalsContact CE2-CE1 3.44Å; L25-Y70 WeakPolarHBondContact CD1-OH 3.5Å; Q28-Y70 VanDerWaalsContact OE1-CZ 3.3Å; Q28-Y70 PolarHBondContact OE1-OH 2.95Å; I58-Y70 HydrophobicContact CD1-CD1 3.6Å; I58-Y70 HydrophobicContact CD1-CE1 3.9Å; I58-Y70 HydrophobicContact CD1-CG 4.15Å; I58-Y70 HydrophobicContact CG1-CD1 4.42Å; I58-Y70 HydrophobicContact CG1-CG 4.5Å; Y61-Y70 AromaticContact CD2-CD2 3.73Å; Y61-Y70 HydrophobicContact CD2-CD2 3.73Å; Y61-Y70 AromaticContact CD2-CE2 3.52Å; Y61-Y70 HydrophobicContact CD2-CE2 3.52Å; Y61-Y70 HydrophobicContact CE2-CD2 4.5Å; Y61-Y70 HydrophobicContact CE2-CE2 4.2Å; Y61-Y70 HydrophobicContact CG-CE2 4.41Å; D68-Y70 PolarHBondContact O-N 2.65Å; D68-Y70 VanDerWaalsContact O-N 3.12Å; D68-Y70 PolarHBondContact OD1-N 2.82Å; Y70-G72 VanDerWaalsContact C-N 3.34Å; Y70-G72 PolarHBondContact O-N 2.99Å; Y70-H73 WeakPolarHBondContact O-CA 3.12Å; Y70-H73 WeakPolarHBondContact O-CB 3.4Å; Y70-H73 PolarHBondContact O-N 3.33Å; Y70-R74 PolarHBondContact O-N 2.79Å |
| 71 | N | 97.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 13% | 0.128 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -51.7 | -53.6 | 176.5 | 178.5 | -106 | 0 | 0 | 0 | 110.9 | D68 H73 R74 I75 Q255 R258 | D68-N71 WeakPolarHBondContact O-CB 3.25Å; D68-N71 PolarHBondContact O-N 3Å; D68-N71 PolarHBondContact OD1-N 3.27Å; D68-N71 WeakPolarHBondContact OD2-CA 3.4Å; D68-N71 VanDerWaalsContact OD2-CB 3.27Å; D68-N71 WeakPolarHBondContact OD2-CB 3.45Å; D68-N71 PolarHBondContact OD2-N 2.94Å; N71-H73 VanDerWaalsContact C-N 3.26Å; N71-H73 PolarHBondContact O-N 3Å; N71-R74 PolarHBondContact O-N 3.49Å; N71-R74 VanDerWaalsContact O-N 3.16Å; N71-I75 VanDerWaalsContact O-CG1 3.29Å; N71-I75 WeakPolarHBondContact O-CG1 3.33Å; N71-I75 PolarHBondContact O-N 2.78Å; N71-Q255 PolarHBondContact ND2-OE1 3.35Å; N71-Q255 PolarHBondContact OD1-OE1 3.08Å; N71-R258 PolarHBondContact OD1-NH2 2.75Å |
| 72 | G | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y70 S76 L327 | Y70-G72 VanDerWaalsContact C-N 3.34Å; Y70-G72 PolarHBondContact O-N 2.99Å; G72-S76 VanDerWaalsContact O-CB 3.31Å; G72-S76 WeakPolarHBondContact O-CB 3.28Å; G72-S76 PolarHBondContact O-N 2.79Å; G72-L327 WeakPolarHBondContact O-CD2 3.29Å |
| 73 | H | 97.8 | Very high | 96 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -51.8 | 175.6 | -71.7 | -125.6 | 0 | 0 | 0 | 111.2 | A19 G21 Y22 I58 Y70 N71 I75 S76 Q77 E323 | A19-H73 HydrophobicContact CB-CB 4.44Å; A19-H73 PolarHBondContact O-ND1 2.75Å; A19-H73 VanDerWaalsContact O-ND1 3.13Å; G21-H73 PolarHBondContact N-CE1 3.05Å; G21-H73 PolarHBondContact N-ND1 2.83Å; G21-H73 VanDerWaalsContact N-ND1 3.16Å; Y22-H73 AromaticContact CZ-NE2 3.81Å; I58-H73 HydrophobicContact CG2-CB 3.8Å; Y70-H73 WeakPolarHBondContact O-CA 3.12Å; Y70-H73 WeakPolarHBondContact O-CB 3.4Å; Y70-H73 PolarHBondContact O-N 3.33Å; N71-H73 VanDerWaalsContact C-N 3.26Å; N71-H73 PolarHBondContact O-N 3Å; H73-I75 VanDerWaalsContact C-N 3.32Å; H73-I75 PolarHBondContact O-N 2.9Å; H73-S76 WeakPolarHBondContact O-CB 3.26Å; H73-S76 PolarHBondContact O-N 2.85Å; H73-Q77 WeakPolarHBondContact O-CG 3.39Å; H73-Q77 PolarHBondContact O-N 2.85Å; H73-E323 IonicContact NE2-OE1 3.81Å; H73-E323 PolarHBondContact NE2-OE1 2.9Å |
| 74 | R | 98 | Very high | 96.2 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.5 | -47.1 | 177.4 | -89 | -167.4 | -76.1 | -75.5 | 4.3 | 112.3 | I58 A59 R60 D68 Y70 N71 Q77 L78 N102 | I58-R74 HydrophobicContact CG2-CB 4.34Å; I58-R74 HydrophobicContact CG2-CG 3.51Å; I58-R74 WeakPolarHBondContact O-CD 3.36Å; I58-R74 WeakPolarHBondContact O-CG 3.14Å; I58-R74 PolarHBondContact O-NH1 3.02Å; A59-R74 PolarHBondContact O-NH1 2.92Å; R60-R74 VanDerWaalsContact CA-NH1 3.29Å; R60-R74 VanDerWaalsContact CB-NH2 3.26Å; R60-R74 VanDerWaalsContact CG-NH2 3.28Å; D68-R74 IonicContact OD1-CZ 3.48Å; D68-R74 IonicContact OD1-NH2 3.22Å; D68-R74 PolarHBondContact OD1-NH2 3.29Å; D68-R74 IonicContact OD2-CZ 2.66Å; D68-R74 IonicContact OD2-NH2 3.37Å; D68-R74 PolarHBondContact OD2-NH2 2.84Å; Y70-R74 PolarHBondContact O-N 2.79Å; N71-R74 PolarHBondContact O-N 3.49Å; N71-R74 VanDerWaalsContact O-N 3.16Å; R74-Q77 PolarHBondContact O-N 3.01Å; R74-L78 WeakPolarHBondContact O-CB 3.27Å; R74-L78 PolarHBondContact O-N 3.4Å; R74-N102 WeakPolarHBondContact CD-O 3.42Å |
| 75 | I | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -42.9 | 179.8 | -60 | -54.4 | 0 | 0 | 0 | 110.7 | N71 H73 Q77 L78 V79 A109 I252 Q255 L256 | N71-I75 VanDerWaalsContact O-CG1 3.29Å; N71-I75 WeakPolarHBondContact O-CG1 3.33Å; N71-I75 PolarHBondContact O-N 2.78Å; H73-I75 VanDerWaalsContact C-N 3.32Å; H73-I75 PolarHBondContact O-N 2.9Å; I75-Q77 VanDerWaalsContact C-N 3.35Å; I75-Q77 PolarHBondContact O-N 2.79Å; I75-L78 PolarHBondContact O-N 3.49Å; I75-V79 WeakPolarHBondContact O-CG2 3.46Å; I75-V79 PolarHBondContact O-N 2.87Å; I75-A109 HydrophobicContact CD1-CB 3.44Å; I75-A109 VanDerWaalsContact CD1-CB 3.44Å; I75-I252 HydrophobicContact CD1-CD1 4.2Å; I75-I252 HydrophobicContact CG2-CD1 4.33Å; I75-I252 HydrophobicContact CG2-CG2 3.67Å; I75-Q255 HydrophobicContact CG1-CB 4.19Å; I75-L256 HydrophobicContact CB-CD2 4.12Å; I75-L256 HydrophobicContact CG2-CD1 4.26Å; I75-L256 HydrophobicContact CG2-CD2 3.78Å; I75-L256 HydrophobicContact CG2-CG 3.75Å |
| 76 | S | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58 | -47.1 | 174 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | G72 H73 L78 V79 E80 G326 | G72-S76 VanDerWaalsContact O-CB 3.31Å; G72-S76 WeakPolarHBondContact O-CB 3.28Å; G72-S76 PolarHBondContact O-N 2.79Å; H73-S76 WeakPolarHBondContact O-CB 3.26Å; H73-S76 PolarHBondContact O-N 2.85Å; S76-L78 PolarHBondContact O-N 3.12Å; S76-V79 PolarHBondContact O-N 3.22Å; S76-E80 WeakPolarHBondContact O-CG 3.22Å; S76-E80 PolarHBondContact O-N 3.49Å; S76-G326 PolarHBondContact OG-O 3.22Å |
| 77 | Q | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.9 | -41.3 | 179.3 | -64.4 | 169.3 | -16.1 | 0 | 0 | 111.7 | F17 A19 N20 L57 H73 R74 I75 V79 E80 V81 | F17-Q77 HydrophobicContact CB-CB 4.41Å; F17-Q77 HydrophobicContact CB-CG 3.73Å; F17-Q77 HydrophobicContact CD1-CB 4.29Å; F17-Q77 HydrophobicContact CD2-CB 3.72Å; F17-Q77 HydrophobicContact CD2-CG 3.54Å; F17-Q77 HydrophobicContact CE2-CB 4Å; F17-Q77 HydrophobicContact CE2-CG 4.28Å; F17-Q77 HydrophobicContact CG-CB 3.89Å; F17-Q77 HydrophobicContact CG-CG 3.69Å; F17-Q77 HydrophobicContact CZ-CB 4.4Å; A19-Q77 PolarHBondContact O-NE2 2.96Å; N20-Q77 PolarHBondContact OD1-NE2 3.35Å; L57-Q77 HydrophobicContact CD2-CB 3.79Å; H73-Q77 WeakPolarHBondContact O-CG 3.39Å; H73-Q77 PolarHBondContact O-N 2.85Å; R74-Q77 PolarHBondContact O-N 3.01Å; I75-Q77 VanDerWaalsContact C-N 3.35Å; I75-Q77 PolarHBondContact O-N 2.79Å; Q77-V79 VanDerWaalsContact C-N 3.32Å; Q77-V79 PolarHBondContact O-N 2.84Å; Q77-E80 WeakPolarHBondContact O-CB 3.2Å; Q77-E80 PolarHBondContact O-N 3.24Å; Q77-E80 VanDerWaalsContact O-N 3.17Å; Q77-V81 WeakPolarHBondContact O-CG2 3.11Å; Q77-V81 PolarHBondContact O-N 3.01Å |
| 78 | L | 98.6 | Very high | 96.5 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 176.7 | -172.6 | 69.2 | 0 | 0 | 0 | 111.9 | L57 R74 I75 S76 V81 M82 F101 L103 A109 F113 | L57-L78 HydrophobicContact CD1-CB 3.99Å; L57-L78 HydrophobicContact CD1-CD1 4.02Å; R74-L78 WeakPolarHBondContact O-CB 3.27Å; R74-L78 PolarHBondContact O-N 3.4Å; I75-L78 PolarHBondContact O-N 3.49Å; S76-L78 PolarHBondContact O-N 3.12Å; L78-V81 WeakPolarHBondContact O-CB 3.37Å; L78-V81 PolarHBondContact O-N 3.12Å; L78-M82 WeakPolarHBondContact O-CB 3.35Å; L78-M82 PolarHBondContact O-N 2.94Å; L78-F101 HydrophobicContact CD1-CD1 3.7Å; L78-F101 HydrophobicContact CD1-CE1 3.8Å; L78-L103 HydrophobicContact CD2-CD1 3.76Å; L78-A109 HydrophobicContact CD2-CB 3.66Å; L78-A109 VanDerWaalsContact CD2-O 3.31Å; L78-A109 WeakPolarHBondContact CD2-O 3.45Å; L78-F113 HydrophobicContact CD1-CB 4.14Å; L78-F113 HydrophobicContact CD1-CD1 4.31Å; L78-F113 HydrophobicContact CD1-CD2 3.82Å; L78-F113 HydrophobicContact CD1-CE2 4.32Å; L78-F113 HydrophobicContact CD1-CG 3.82Å; L78-F113 HydrophobicContact CD2-CB 3.99Å; L78-F113 HydrophobicContact CG-CB 4.17Å; L78-F113 HydrophobicContact CG-CD2 4.19Å; L78-F113 HydrophobicContact CG-CG 4.29Å |
| 79 | V | 98.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I75 S76 Q77 M82 E83 A330 I334 | I75-V79 WeakPolarHBondContact O-CG2 3.46Å; I75-V79 PolarHBondContact O-N 2.87Å; S76-V79 PolarHBondContact O-N 3.22Å; Q77-V79 VanDerWaalsContact C-N 3.32Å; Q77-V79 PolarHBondContact O-N 2.84Å; V79-M82 HydrophobicContact CG1-CE 4.3Å; V79-M82 HydrophobicContact CG2-CE 4.46Å; V79-M82 WeakPolarHBondContact O-CB 3.31Å; V79-M82 PolarHBondContact O-N 3.36Å; V79-E83 PolarHBondContact O-N 3.11Å; V79-A330 HydrophobicContact CB-CB 4.12Å; V79-A330 HydrophobicContact CG1-CB 4.14Å; V79-A330 HydrophobicContact CG2-CB 4.45Å; V79-I334 HydrophobicContact CG2-CD1 3.9Å; V79-I334 HydrophobicContact CG2-CG1 4.2Å |
| 80 | E | 98.3 | Very high | 96.1 | Very high | 28 Ų | 28 | 18.6 Ų | 18.6 | 13% | 0.131 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61 | -43.3 | 172.5 | -68.9 | -177 | -117.7 | 0 | 0 | 111.6 | H15 F17 T18 S76 Q77 M82 F84 | H15-E80 IonicContact CD2-OE2 2.94Å; H15-E80 IonicContact CE1-OE2 2.82Å; H15-E80 IonicContact NE2-OE2 3.59Å; H15-E80 PolarHBondContact NE2-OE2 3.13Å; F17-E80 WeakPolarHBondContact CA-OE2 3.49Å; F17-E80 HydrophobicContact CD1-CB 3.87Å; F17-E80 HydrophobicContact CE1-CB 4.17Å; T18-E80 PolarHBondContact N-OE1 3.11Å; T18-E80 PolarHBondContact N-OE2 2.88Å; T18-E80 PolarHBondContact OG1-OE1 2.9Å; T18-E80 PolarHBondContact OG1-OE2 2.57Å; S76-E80 WeakPolarHBondContact O-CG 3.22Å; S76-E80 PolarHBondContact O-N 3.49Å; Q77-E80 WeakPolarHBondContact O-CB 3.2Å; Q77-E80 PolarHBondContact O-N 3.24Å; Q77-E80 VanDerWaalsContact O-N 3.17Å; E80-M82 PolarHBondContact O-N 2.81Å; E80-F84 WeakPolarHBondContact O-CB 3.34Å; E80-F84 PolarHBondContact O-N 3.36Å |
| 81 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.8 | -47 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 111 | F17 I37 L57 Q77 L78 E83 F84 V85 F113 | F17-V81 HydrophobicContact CE1-CG2 3.59Å; F17-V81 HydrophobicContact CZ-CG2 3.39Å; I37-V81 HydrophobicContact CB-CG2 4.29Å; I37-V81 HydrophobicContact CD1-CB 4.25Å; I37-V81 HydrophobicContact CD1-CG1 3.66Å; I37-V81 HydrophobicContact CD1-CG2 4.12Å; L57-V81 HydrophobicContact CD2-CG2 4.13Å; Q77-V81 WeakPolarHBondContact O-CG2 3.11Å; Q77-V81 PolarHBondContact O-N 3.01Å; L78-V81 WeakPolarHBondContact O-CB 3.37Å; L78-V81 PolarHBondContact O-N 3.12Å; V81-E83 PolarHBondContact O-N 3.05Å; V81-F84 PolarHBondContact O-N 3.33Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CB 3.34Å; V81-V85 VanDerWaalsContact O-CG2 3.31Å; V81-V85 WeakPolarHBondContact O-CG2 3.45Å; V81-V85 PolarHBondContact O-N 3.07Å; V81-F113 HydrophobicContact CB-CE2 4.42Å; V81-F113 HydrophobicContact CG1-CE2 3.65Å; V81-F113 HydrophobicContact CG1-CZ 3.86Å |
| 82 | M | 96.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 19.7 Ų | 19.7 | 2% | 0.02 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.5 | -53.1 | -179.2 | -176.1 | 174.8 | 59.6 | 0 | 0 | 111.4 | L78 V79 E80 R86 F113 S116 L117 I334 L337 | L78-M82 WeakPolarHBondContact O-CB 3.35Å; L78-M82 PolarHBondContact O-N 2.94Å; V79-M82 HydrophobicContact CG1-CE 4.3Å; V79-M82 HydrophobicContact CG2-CE 4.46Å; V79-M82 WeakPolarHBondContact O-CB 3.31Å; V79-M82 PolarHBondContact O-N 3.36Å; E80-M82 PolarHBondContact O-N 2.81Å; M82-R86 WeakPolarHBondContact O-CB 3.49Å; M82-R86 PolarHBondContact O-N 2.95Å; M82-F113 HydrophobicContact CB-CD2 4.02Å; M82-F113 HydrophobicContact CB-CE2 4.28Å; M82-F113 HydrophobicContact CG-CD2 4.44Å; M82-S116 WeakPolarHBondContact SD-CB 3.4Å; M82-L117 HydrophobicContact CG-CD1 4.32Å; M82-L117 HydrophobicContact CG-CD2 4.27Å; M82-L117 HydrophobicContact CG-CG 4.02Å; M82-I334 HydrophobicContact CE-CD1 4.43Å; M82-L337 HydrophobicContact CE-CD1 3.54Å; M82-L337 HydrophobicContact SD-CD1 4.31Å |
| 83 | E | 95.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 21.7 Ų | 21.7 | 19% | 0.187 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.7 | -34.5 | -177.8 | -65.5 | -53.2 | 116.9 | 0 | 0 | 112.2 | V79 V81 R86 M87 | V79-E83 PolarHBondContact O-N 3.11Å; V81-E83 PolarHBondContact O-N 3.05Å; E83-R86 WeakPolarHBondContact O-CB 3.4Å; E83-R86 PolarHBondContact O-N 3.47Å; E83-R86 IonicContact OE1-CZ 3.72Å; E83-R86 IonicContact OE1-NE 3.33Å; E83-R86 PolarHBondContact OE1-NE 3.19Å; E83-R86 IonicContact OE1-NH2 3.49Å; E83-R86 PolarHBondContact OE1-NH2 2.88Å; E83-R86 VanDerWaalsContact OE1-NH2 3.12Å; E83-R86 IonicContact OE2-NE 3.12Å; E83-R86 PolarHBondContact OE2-NE 3.09Å; E83-M87 VanDerWaalsContact O-CG 3.32Å; E83-M87 WeakPolarHBondContact O-CG 3.29Å; E83-M87 PolarHBondContact O-N 3.36Å |
| 84 | F | 96.7 | Very high | 95.1 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 10% | 0.096 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 173.7 | -179.7 | -96.8 | 0 | 0 | 0 | 111.7 | F13 H15 I37 L39 Y53 E80 V81 R86 M87 T88 | F13-F84 AromaticContact CD1-CE2 3.51Å; F13-F84 HydrophobicContact CD1-CE2 3.51Å; F13-F84 AromaticContact CD1-CZ 3.65Å; F13-F84 HydrophobicContact CD1-CZ 3.65Å; F13-F84 AromaticContact CE1-CE2 3.7Å; F13-F84 HydrophobicContact CE1-CE2 3.7Å; F13-F84 HydrophobicContact CE1-CZ 4.31Å; H15-F84 HydrophobicContact CB-CD2 3.86Å; H15-F84 HydrophobicContact CB-CE2 3.91Å; I37-F84 HydrophobicContact CB-CD1 4.49Å; I37-F84 HydrophobicContact CD1-CD1 3.8Å; I37-F84 HydrophobicContact CD1-CE1 4.35Å; I37-F84 HydrophobicContact CG1-CD1 3.98Å; I37-F84 HydrophobicContact CG1-CE1 4.14Å; I37-F84 HydrophobicContact CG2-CB 4.25Å; I37-F84 HydrophobicContact CG2-CD1 3.66Å; I37-F84 HydrophobicContact CG2-CD2 4.44Å; I37-F84 HydrophobicContact CG2-CE1 4.11Å; I37-F84 HydrophobicContact CG2-CG 3.84Å; L39-F84 HydrophobicContact CB-CE1 3.94Å; L39-F84 HydrophobicContact CB-CZ 4.03Å; L39-F84 HydrophobicContact CD2-CE1 4.49Å; L39-F84 HydrophobicContact CD2-CZ 4.28Å; Y53-F84 HydrophobicContact CD1-CD1 4.17Å; Y53-F84 AromaticContact CD1-CE1 3.85Å; Y53-F84 HydrophobicContact CD1-CE1 3.85Å; Y53-F84 HydrophobicContact CE1-CD1 4.1Å; Y53-F84 AromaticContact CE1-CE1 3.76Å; Y53-F84 HydrophobicContact CE1-CE1 3.76Å; E80-F84 WeakPolarHBondContact O-CB 3.34Å; E80-F84 PolarHBondContact O-N 3.36Å; V81-F84 PolarHBondContact O-N 3.33Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.13Å; F84-M87 PolarHBondContact O-N 3Å; F84-T88 HydrophobicContact CD2-CG2 4.24Å; F84-T88 HydrophobicContact CE1-CG2 4.28Å; F84-T88 HydrophobicContact CE2-CG2 3.84Å; F84-T88 HydrophobicContact CZ-CG2 3.87Å; F84-T88 WeakPolarHBondContact O-CB 3.25Å; F84-T88 WeakPolarHBondContact O-CG2 3.32Å; F84-T88 PolarHBondContact O-N 2.93Å; F84-T88 PolarHBondContact O-OG1 3.36Å |
| 85 | V | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | I37 Y53 V81 M87 T88 S89 I95 I97 L117 | I37-V85 HydrophobicContact CD1-CG2 4.07Å; Y53-V85 HydrophobicContact CD1-CG2 3.92Å; Y53-V85 HydrophobicContact CD2-CG2 4.32Å; Y53-V85 HydrophobicContact CE1-CG2 4Å; Y53-V85 HydrophobicContact CE2-CG1 4.29Å; Y53-V85 HydrophobicContact CE2-CG2 4.4Å; Y53-V85 HydrophobicContact CG-CG2 4.08Å; V81-V85 HydrophobicContact CG1-CG2 4.39Å; V81-V85 WeakPolarHBondContact O-CB 3.34Å; V81-V85 VanDerWaalsContact O-CG2 3.31Å; V81-V85 WeakPolarHBondContact O-CG2 3.45Å; V81-V85 PolarHBondContact O-N 3.07Å; V85-M87 VanDerWaalsContact C-N 3.29Å; V85-M87 PolarHBondContact O-N 2.97Å; V85-T88 PolarHBondContact O-N 2.78Å; V85-S89 WeakPolarHBondContact O-CB 3.45Å; V85-S89 PolarHBondContact O-N 3.09Å; V85-S89 PolarHBondContact O-OG 3.43Å; V85-I95 HydrophobicContact CG1-CD1 3.76Å; V85-I97 HydrophobicContact CB-CD1 4.49Å; V85-I97 HydrophobicContact CG1-CD1 3.88Å; V85-I97 HydrophobicContact CG2-CD1 3.95Å; V85-I97 HydrophobicContact CG2-CG1 4.27Å; V85-L117 HydrophobicContact CB-CD1 3.9Å; V85-L117 HydrophobicContact CG1-CD1 3.82Å; V85-L117 HydrophobicContact CG1-CD2 4.37Å |
| 86 | R | 91.8 | Very high | 95 | Very high | 20 Ų | 20 | 21.8 Ų | 21.8 | 8% | 0.075 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.4 | -45.4 | 177.7 | -165.1 | -171.6 | -59.8 | -66 | -4.7 | 111.3 | M82 E83 F84 S116 L117 S177 I179 | M82-R86 WeakPolarHBondContact O-CB 3.49Å; M82-R86 PolarHBondContact O-N 2.95Å; E83-R86 WeakPolarHBondContact O-CB 3.4Å; E83-R86 PolarHBondContact O-N 3.47Å; E83-R86 IonicContact OE1-CZ 3.72Å; E83-R86 IonicContact OE1-NE 3.33Å; E83-R86 PolarHBondContact OE1-NE 3.19Å; E83-R86 IonicContact OE1-NH2 3.49Å; E83-R86 PolarHBondContact OE1-NH2 2.88Å; E83-R86 VanDerWaalsContact OE1-NH2 3.12Å; E83-R86 IonicContact OE2-NE 3.12Å; E83-R86 PolarHBondContact OE2-NE 3.09Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 3.13Å; R86-S116 PolarHBondContact NH1-O 3.29Å; R86-L117 HydrophobicContact CB-CD2 4.18Å; R86-S177 PolarHBondContact O-OG 3.34Å; R86-I179 HydrophobicContact CG-CD1 3.88Å; R86-I179 HydrophobicContact CG-CG1 3.88Å; R86-I179 WeakPolarHBondContact O-CD1 3.17Å |
| 87 | M | 91.9 | Very high | 95 | Very high | 133 Ų | 133 | 21.8 Ų | 21.8 | 66% | 0.655 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -78.2 | -27.2 | -177.8 | -66.2 | -60.3 | -163.6 | 0 | 0 | 114.3 | E83 F84 V85 I179 | E83-M87 VanDerWaalsContact O-CG 3.32Å; E83-M87 WeakPolarHBondContact O-CG 3.29Å; E83-M87 PolarHBondContact O-N 3.36Å; F84-M87 PolarHBondContact O-N 3Å; V85-M87 VanDerWaalsContact C-N 3.29Å; V85-M87 PolarHBondContact O-N 2.97Å; M87-I179 HydrophobicContact SD-CD1 3.95Å |
| 88 | T | 93.7 | Very high | 95 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -104.5 | -13.8 | -171.9 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | L39 N51 Y53 F84 V85 T90 | L39-T88 HydrophobicContact CD2-CG2 4.26Å; N51-T88 PolarHBondContact ND2-O 2.98Å; Y53-T88 VanDerWaalsContact CE1-OG1 3.27Å; Y53-T88 WeakPolarHBondContact CE1-OG1 3.49Å; Y53-T88 PolarHBondContact OH-OG1 2.82Å; Y53-T88 VanDerWaalsContact OH-OG1 3.09Å; F84-T88 HydrophobicContact CD2-CG2 4.24Å; F84-T88 HydrophobicContact CE1-CG2 4.28Å; F84-T88 HydrophobicContact CE2-CG2 3.84Å; F84-T88 HydrophobicContact CZ-CG2 3.87Å; F84-T88 WeakPolarHBondContact O-CB 3.25Å; F84-T88 WeakPolarHBondContact O-CG2 3.32Å; F84-T88 PolarHBondContact O-N 2.93Å; F84-T88 PolarHBondContact O-OG1 3.36Å; V85-T88 PolarHBondContact O-N 2.78Å; T88-T90 PolarHBondContact O-N 3.23Å |
| 89 | S | 92.5 | Very high | 95 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -72.4 | -3.6 | 178.9 | 62 | 0 | 0 | 0 | 0 | 114.8 | Y53 V85 S92 R173 S177 | Y53-S89 WeakPolarHBondContact OH-CA 3.37Å; Y53-S89 PolarHBondContact OH-N 3.22Å; V85-S89 WeakPolarHBondContact O-CB 3.45Å; V85-S89 PolarHBondContact O-N 3.09Å; V85-S89 PolarHBondContact O-OG 3.43Å; S89-S92 PolarHBondContact O-OG 2.82Å; S89-R173 PolarHBondContact OG-NH2 3.23Å; S89-R173 VanDerWaalsContact OG-NH2 3.08Å; S89-S177 PolarHBondContact OG-OG 3.22Å | ||
| 90 | T | 87.9 | Confident | 95 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 34% | 0.344 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 135.7 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | R41 T88 S177 D180 | R41-T90 PolarHBondContact NH2-O 3.33Å; T88-T90 PolarHBondContact O-N 3.23Å; T90-S177 VanDerWaalsContact OG1-CB 3.27Å; T90-S177 WeakPolarHBondContact OG1-CB 3.3Å; T90-D180 VanDerWaalsContact CB-OD2 3.31Å; T90-D180 WeakPolarHBondContact CB-OD2 3.27Å; T90-D180 WeakPolarHBondContact CG2-OD2 3.14Å; T90-D180 PolarHBondContact OG1-OD2 3.07Å |
| 91 | G | 86.6 | Confident | 95 | Very high | 45 Ų | 45 | 23.3 Ų | 23.3 | 46% | 0.464 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 7.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 92 | S | 92.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 23.8 Ų | 23.8 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | trans | -97.7 | 143.1 | 170.6 | 59.8 | 0 | 0 | 0 | 0 | 112 | R49 S89 A94 I95 | R49-S92 CarbonylContact O-C 3.59Å; S89-S92 PolarHBondContact O-OG 2.82Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 WeakPolarHBondContact CB-O 3.09Å; S92-A94 PolarHBondContact OG-O 3.4Å; S92-I95 WeakPolarHBondContact OG-CG2 3.22Å | ||
| 93 | D | 94 | Very high | 95 | Very high | 43 Ų | 43 | 23.9 Ų | 23.9 | 23% | 0.23 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -69.2 | -28.7 | 172.3 | -66.3 | -55.4 | 0 | 0 | 0 | 112.1 | F48 R49 G175 A188 I223 | F48-D93 WeakPolarHBondContact CA-OD2 3.48Å; F48-D93 HydrophobicContact CB-CB 4.48Å; F48-D93 HydrophobicContact CD1-CB 4.26Å; R49-D93 PolarHBondContact N-OD2 3.25Å; R49-D93 WeakPolarHBondContact O-CB 3.34Å; R49-D93 PolarHBondContact O-N 3.12Å; D93-G175 WeakPolarHBondContact O-CA 3.15Å; D93-G175 PolarHBondContact O-N 2.98Å; D93-A188 HydrophobicContact CB-CB 3.82Å; D93-I223 HydrophobicContact CB-CD1 4.34Å |
| 94 | A | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 159.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R49 I50 N51 S92 L190 I223 | R49-A94 PolarHBondContact O-N 3.01Å; I50-A94 WeakPolarHBondContact CA-O 3.15Å; I50-A94 HydrophobicContact CG2-CB 4.39Å; N51-A94 PolarHBondContact N-O 3.49Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 WeakPolarHBondContact CB-O 3.09Å; S92-A94 PolarHBondContact OG-O 3.4Å; A94-L190 HydrophobicContact CB-CB 4.06Å; A94-L190 HydrophobicContact CB-CD2 3.87Å; A94-L190 HydrophobicContact CB-CG 4.37Å; A94-I223 HydrophobicContact CB-CD1 3.91Å |
| 95 | I | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 146.2 | 169.6 | 69.8 | 170.7 | 0 | 0 | 0 | 111.2 | N51 Y53 V85 S92 I97 L119 Y172 R173 | N51-I95 HydrophobicContact CB-CG2 4.05Å; N51-I95 WeakPolarHBondContact O-CA 3.33Å; Y53-I95 HydrophobicContact CE2-CB 3.97Å; Y53-I95 HydrophobicContact CE2-CG2 4.07Å; V85-I95 HydrophobicContact CG1-CD1 3.76Å; S92-I95 WeakPolarHBondContact OG-CG2 3.22Å; I95-I97 HydrophobicContact CD1-CD1 4.19Å; I95-L119 HydrophobicContact CD1-CD2 4.03Å; I95-Y172 VanDerWaalsContact O-CA 3.31Å; I95-Y172 WeakPolarHBondContact O-CA 3.32Å; I95-R173 HydrophobicContact CD1-CG 3.74Å; I95-R173 HydrophobicContact CG1-CG 3.44Å; I95-R173 VanDerWaalsContact CG1-CG 3.44Å; I95-R173 PolarHBondContact N-O 2.88Å; I95-R173 PolarHBondContact O-N 3.32Å; I95-R173 VanDerWaalsContact O-N 3.08Å |
| 96 | I | 98.1 | Very high | 94.4 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.051 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.4 | 173.3 | -64.3 | 171.6 | 0 | 0 | 0 | 107.1 | I50 N51 F52 Y53 T98 I170 F171 L190 F221 | I50-I96 HydrophobicContact CG2-CD1 4.28Å; I50-I96 HydrophobicContact CG2-CG1 4.45Å; N51-I96 PolarHBondContact O-N 2.83Å; F52-I96 CarbonylContact C-O 3.54Å; F52-I96 WeakPolarHBondContact CA-O 2.9Å; F52-I96 HydrophobicContact CD1-CB 3.91Å; F52-I96 HydrophobicContact CD1-CD1 4.38Å; F52-I96 HydrophobicContact CD1-CG2 4.03Å; F52-I96 HydrophobicContact CE1-CB 3.93Å; F52-I96 HydrophobicContact CE1-CD1 3.55Å; F52-I96 HydrophobicContact CE1-CG1 4.3Å; F52-I96 HydrophobicContact CE1-CG2 3.99Å; F52-I96 HydrophobicContact CE2-CD1 4.39Å; F52-I96 HydrophobicContact CZ-CD1 3.57Å; Y53-I96 PolarHBondContact N-O 3.44Å; I96-T98 HydrophobicContact CG2-CG2 3.73Å; I96-I170 HydrophobicContact CG2-CG2 3.99Å; I96-F171 CarbonylContact C-O 3.56Å; I96-F171 WeakPolarHBondContact CA-O 3.4Å; I96-L190 HydrophobicContact CD1-CD2 4.36Å; I96-L190 HydrophobicContact CG1-CD2 4.06Å; I96-F221 HydrophobicContact CD1-CD2 4.31Å; I96-F221 HydrophobicContact CD1-CE2 4.29Å |
| 97 | I | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.3 | -179.4 | -51.3 | 160.4 | 0 | 0 | 0 | 107.4 | Y53 V85 I95 F101 F113 L117 L119 F171 | Y53-I97 HydrophobicContact CD2-CG1 3.67Å; Y53-I97 HydrophobicContact CE2-CG1 4.47Å; Y53-I97 HydrophobicContact CG-CG1 4.13Å; V85-I97 HydrophobicContact CB-CD1 4.49Å; V85-I97 HydrophobicContact CG1-CD1 3.88Å; V85-I97 HydrophobicContact CG2-CD1 3.95Å; V85-I97 HydrophobicContact CG2-CG1 4.27Å; I95-I97 HydrophobicContact CD1-CD1 4.19Å; I97-F101 HydrophobicContact CG2-CZ 3.97Å; I97-F113 HydrophobicContact CD1-CZ 4.08Å; I97-F113 HydrophobicContact CG2-CZ 4.4Å; I97-L117 HydrophobicContact CD1-CD1 4.37Å; I97-L119 HydrophobicContact CD1-CD1 3.63Å; I97-L119 HydrophobicContact CD1-CD2 3.68Å; I97-L119 HydrophobicContact CD1-CG 4.31Å; I97-F171 HydrophobicContact CB-CB 4.27Å; I97-F171 PolarHBondContact N-O 2.94Å; I97-F171 PolarHBondContact O-N 2.91Å |
| 98 | T | 98.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 23.7 Ų | 23.7 | 24% | 0.239 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 164.9 | -176 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | Y53 V54 T55 I96 Y169 I170 | Y53-T98 PolarHBondContact O-N 2.92Å; Y53-T98 PolarHBondContact O-OG1 3.33Å; V54-T98 CarbonylContact C-O 3.52Å; V54-T98 VanDerWaalsContact CA-O 3.26Å; V54-T98 WeakPolarHBondContact CA-O 3.38Å; T55-T98 PolarHBondContact N-O 2.72Å; I96-T98 HydrophobicContact CG2-CG2 3.73Å; T98-Y169 VanDerWaalsContact CA-O 3.26Å; T98-Y169 WeakPolarHBondContact CA-O 3.45Å; T98-I170 HydrophobicContact CG2-CB 4.43Å; T98-I170 HydrophobicContact CG2-CG1 4.06Å; T98-I170 HydrophobicContact CG2-CG2 4.18Å |
| 99 | G | 97.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 18% | 0.175 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 132.8 | -172.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T55 F101 D168 Y169 | T55-G99 VanDerWaalsContact O-CA 3.32Å; T55-G99 WeakPolarHBondContact O-CA 3.31Å; G99-F101 WeakPolarHBondContact O-CD2 3.21Å; G99-D168 WeakPolarHBondContact O-CA 3.5Å; G99-Y169 PolarHBondContact N-O 2.99Å; G99-Y169 PolarHBondContact O-N 3.19Å; G99-Y169 VanDerWaalsContact O-N 3.12Å |
| 100 | D | 97.8 | Very high | 95.2 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.7 | 177.2 | 176.8 | 6.4 | 0 | 0 | 0 | 109.2 | T55 H56 L57 N102 D168 H214 | T55-D100 PolarHBondContact O-N 3.25Å; H56-D100 WeakPolarHBondContact CA-O 3.26Å; H56-D100 IonicContact CD2-OD2 2.79Å; H56-D100 IonicContact NE2-OD2 3.42Å; L57-D100 PolarHBondContact N-O 3.45Å; D100-N102 VanDerWaalsContact OD1-CG 3.3Å; D100-N102 PolarHBondContact OD1-N 2.88Å; D100-N102 PolarHBondContact OD1-ND2 2.92Å; D100-N102 PolarHBondContact OD2-ND2 3.3Å; D100-D168 WeakPolarHBondContact CB-OD1 3.29Å; D100-H214 IonicContact OD2-CE1 3.75Å |
| 101 | F | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -84.6 | -12.4 | 179.5 | -78.9 | -107.9 | 0 | 0 | 0 | 112.4 | T55 L57 L78 I97 G99 L103 I110 F113 L167 Y169 F171 | T55-F101 HydrophobicContact CG2-CD1 4.49Å; T55-F101 HydrophobicContact CG2-CD2 4.11Å; T55-F101 HydrophobicContact CG2-CE1 4.12Å; T55-F101 HydrophobicContact CG2-CE2 3.71Å; T55-F101 HydrophobicContact CG2-CG 4.49Å; T55-F101 HydrophobicContact CG2-CZ 3.71Å; L57-F101 WeakPolarHBondContact CB-O 3.36Å; L57-F101 HydrophobicContact CD1-CD1 4.33Å; L57-F101 WeakPolarHBondContact CD1-O 3.27Å; L78-F101 HydrophobicContact CD1-CD1 3.7Å; L78-F101 HydrophobicContact CD1-CE1 3.8Å; I97-F101 HydrophobicContact CG2-CZ 3.97Å; G99-F101 WeakPolarHBondContact O-CD2 3.21Å; F101-L103 HydrophobicContact CB-CB 4.46Å; F101-L103 WeakPolarHBondContact O-CG 3.39Å; F101-L103 PolarHBondContact O-N 2.82Å; F101-I110 HydrophobicContact CB-CD1 4.18Å; F101-I110 HydrophobicContact CD1-CD1 3.95Å; F101-I110 HydrophobicContact CG-CD1 4.29Å; F101-F113 HydrophobicContact CE1-CD1 4.08Å; F101-F113 AromaticContact CE1-CE1 3.59Å; F101-F113 HydrophobicContact CE1-CE1 3.59Å; F101-F113 AromaticContact CE1-CZ 3.94Å; F101-F113 HydrophobicContact CE1-CZ 3.94Å; F101-F113 AromaticContact CZ-CE1 3.89Å; F101-F113 HydrophobicContact CZ-CE1 3.89Å; F101-F113 HydrophobicContact CZ-CZ 4.21Å; F101-L167 PolarHBondContact N-O 3.44Å; F101-Y169 HydrophobicContact CB-CD2 3.88Å; F101-Y169 HydrophobicContact CB-CE2 3.96Å; F101-Y169 AromaticContact CD2-CD2 3.67Å; F101-Y169 HydrophobicContact CD2-CD2 3.67Å; F101-Y169 HydrophobicContact CD2-CG 4.29Å; F101-Y169 HydrophobicContact CE2-CD2 4.49Å; F101-Y169 AromaticContact CG-CD2 3.95Å; F101-Y169 HydrophobicContact CG-CD2 3.95Å; F101-Y169 HydrophobicContact CG-CE2 4.46Å; F101-F171 HydrophobicContact CD1-CE2 4.45Å; F101-F171 HydrophobicContact CD2-CE2 4.34Å; F101-F171 HydrophobicContact CE1-CD2 4.35Å; F101-F171 HydrophobicContact CE1-CE2 4.05Å; F101-F171 AromaticContact CE2-CD2 3.99Å; F101-F171 HydrophobicContact CE2-CD2 3.99Å; F101-F171 AromaticContact CE2-CE2 3.93Å; F101-F171 HydrophobicContact CE2-CE2 3.93Å; F101-F171 AromaticContact CZ-CD2 3.73Å; F101-F171 HydrophobicContact CZ-CD2 3.73Å; F101-F171 AromaticContact CZ-CE2 3.78Å; F101-F171 HydrophobicContact CZ-CE2 3.78Å | ||
| 102 | N | 97.5 | Very high | 96 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 46.9 | 30.6 | -174.2 | -80 | -73.1 | 0 | 0 | 0 | 113.3 | L57 I58 A59 R74 D100 | L57-N102 PolarHBondContact O-ND2 3.33Å; I58-N102 VanDerWaalsContact O-CB 3.31Å; I58-N102 WeakPolarHBondContact O-CB 3.4Å; A59-N102 WeakPolarHBondContact CA-OD1 3.43Å; R74-N102 WeakPolarHBondContact CD-O 3.42Å; D100-N102 VanDerWaalsContact OD1-CG 3.3Å; D100-N102 PolarHBondContact OD1-N 2.88Å; D100-N102 PolarHBondContact OD1-ND2 2.92Å; D100-N102 PolarHBondContact OD2-ND2 3.3Å |
| 103 | L | 97.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -140.1 | 135.8 | -179.1 | -72.7 | 169.8 | 0 | 0 | 0 | 108.2 | L57 L78 F101 A109 I110 Y169 | L57-L103 HydrophobicContact CD1-CD1 4.19Å; L78-L103 HydrophobicContact CD2-CD1 3.76Å; F101-L103 HydrophobicContact CB-CB 4.46Å; F101-L103 WeakPolarHBondContact O-CG 3.39Å; F101-L103 PolarHBondContact O-N 2.82Å; L103-A109 HydrophobicContact CD1-CB 3.98Å; L103-I110 HydrophobicContact CB-CD1 3.92Å; L103-I110 HydrophobicContact CB-CG1 3.79Å; L103-I110 HydrophobicContact CD1-CD1 4.37Å; L103-Y169 VanDerWaalsContact O-CE2 3.24Å; L103-Y169 WeakPolarHBondContact O-CE2 3.41Å; L103-Y169 PolarHBondContact O-OH 3.33Å |
| 104 | E | 93.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | trans | -82.4 | 154.9 | -177.9 | -50.1 | 83.4 | 154.1 | 0 | 0 | 110.6 | R60 R65 N106 T107 I110 E165 L167 Y169 | R60-E104 IonicContact CZ-OE1 2.76Å; R60-E104 IonicContact NE-OE1 3.54Å; R60-E104 IonicContact NH2-OE1 3.47Å; R60-E104 PolarHBondContact NH2-OE1 2.91Å; R65-E104 VanDerWaalsContact CZ-CD 3.49Å; R65-E104 IonicContact CZ-OE1 2.54Å; R65-E104 IonicContact CZ-OE2 2.97Å; R65-E104 IonicContact NH1-OE1 3.39Å; R65-E104 PolarHBondContact NH1-OE1 2.88Å; R65-E104 IonicContact NH1-OE2 3.83Å; R65-E104 PolarHBondContact NH1-OE2 3Å; R65-E104 IonicContact NH2-OE1 2.78Å; R65-E104 PolarHBondContact NH2-OE1 3.03Å; R65-E104 IonicContact NH2-OE2 3.62Å; R65-E104 PolarHBondContact NH2-OE2 2.85Å; E104-N106 WeakPolarHBondContact CB-OD1 3.36Å; E104-N106 PolarHBondContact O-N 3.5Å; E104-N106 VanDerWaalsContact O-N 3.16Å; E104-T107 HydrophobicContact CB-CG2 4.23Å; E104-T107 WeakPolarHBondContact O-CB 3.37Å; E104-T107 WeakPolarHBondContact O-CG2 3.35Å; E104-T107 PolarHBondContact O-N 3.38Å; E104-T107 PolarHBondContact O-OG1 3.49Å; E104-T107 VanDerWaalsContact OE2-CG2 3.32Å; E104-T107 WeakPolarHBondContact OE2-CG2 3.15Å; E104-I110 WeakPolarHBondContact O-CG1 3.41Å; E104-E165 HydrophobicContact CG-CB 4.42Å; E104-E165 WeakPolarHBondContact CG-OE1 3.47Å; E104-L167 HydrophobicContact CG-CD2 3.96Å; E104-Y169 WeakPolarHBondContact CA-OH 3.45Å | ||
| 105 | S | 92.1 | Very high | 96.1 | Very high | 33 Ų | 33 | 22.4 Ų | 22.4 | 23% | 0.231 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -24.6 | -169 | 60.2 | 0 | 0 | 0 | 0 | 113.4 | T107 E139 Y169 | S105-T107 VanDerWaalsContact C-N 3.32Å; S105-E139 WeakPolarHBondContact CB-OE1 3.3Å; S105-E139 VanDerWaalsContact OG-CD 3.22Å; S105-E139 PolarHBondContact OG-OE1 3.42Å; S105-E139 PolarHBondContact OG-OE2 2.83Å; S105-Y169 VanDerWaalsContact CA-OH 3.24Å; S105-Y169 WeakPolarHBondContact CA-OH 3.42Å; S105-Y169 PolarHBondContact N-OH 3.37Å |
| 106 | N | 90 | Very high | 95.7 | Very high | 130 Ų | 130 | 23.2 Ų | 23.2 | 70% | 0.695 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 4.7 | 179.1 | 68.5 | -16.1 | 0 | 0 | 0 | 114 | E104 | E104-N106 WeakPolarHBondContact CB-OD1 3.36Å; E104-N106 PolarHBondContact O-N 3.5Å; E104-N106 VanDerWaalsContact O-N 3.16Å |
| 107 | T | 95 | Very high | 95.4 | Very high | 17 Ų | 17 | 22.7 Ų | 22.7 | 10% | 0.104 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -79.3 | 142.5 | 178 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | E104 S105 A109 I110 E111 | E104-T107 HydrophobicContact CB-CG2 4.23Å; E104-T107 WeakPolarHBondContact O-CB 3.37Å; E104-T107 WeakPolarHBondContact O-CG2 3.35Å; E104-T107 PolarHBondContact O-N 3.38Å; E104-T107 PolarHBondContact O-OG1 3.49Å; E104-T107 VanDerWaalsContact OE2-CG2 3.32Å; E104-T107 WeakPolarHBondContact OE2-CG2 3.15Å; S105-T107 VanDerWaalsContact C-N 3.32Å; T107-A109 PolarHBondContact O-N 3.44Å; T107-A109 VanDerWaalsContact O-N 3.12Å; T107-I110 PolarHBondContact O-N 2.81Å; T107-I110 VanDerWaalsContact O-N 3.17Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.43Å; T107-I110 PolarHBondContact OG1-N 3.26Å; T107-E111 PolarHBondContact O-N 3.43Å; T107-E111 VanDerWaalsContact O-N 3.09Å |
| 108 | S | 96.5 | Very high | 95 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 15% | 0.147 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55 | -28.5 | 171.2 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | L112 D251 Q255 | S108-L112 VanDerWaalsContact O-CB 3.23Å; S108-L112 WeakPolarHBondContact O-CB 3.39Å; S108-L112 PolarHBondContact O-N 2.73Å; S108-D251 WeakPolarHBondContact CB-OD2 3.49Å; S108-D251 PolarHBondContact OG-OD2 3.31Å; S108-Q255 PolarHBondContact OG-NE2 2.87Å; S108-Q255 VanDerWaalsContact OG-NE2 3.11Å |
| 109 | A | 97.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -51.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I75 L78 L103 T107 E111 L112 F113 I252 | I75-A109 HydrophobicContact CD1-CB 3.44Å; I75-A109 VanDerWaalsContact CD1-CB 3.44Å; L78-A109 HydrophobicContact CD2-CB 3.66Å; L78-A109 VanDerWaalsContact CD2-O 3.31Å; L78-A109 WeakPolarHBondContact CD2-O 3.45Å; L103-A109 HydrophobicContact CD1-CB 3.98Å; T107-A109 PolarHBondContact O-N 3.44Å; T107-A109 VanDerWaalsContact O-N 3.12Å; A109-E111 VanDerWaalsContact C-N 3.33Å; A109-L112 PolarHBondContact O-N 3.17Å; A109-F113 WeakPolarHBondContact O-CB 3.07Å; A109-F113 PolarHBondContact O-N 2.77Å; A109-I252 HydrophobicContact CB-CD1 3.95Å |
| 110 | I | 97.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.036 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.5 | -69.2 | -63.4 | 0 | 0 | 0 | 111.2 | F101 L103 E104 T107 F113 S114 Y169 F171 | F101-I110 HydrophobicContact CB-CD1 4.18Å; F101-I110 HydrophobicContact CD1-CD1 3.95Å; F101-I110 HydrophobicContact CG-CD1 4.29Å; L103-I110 HydrophobicContact CB-CD1 3.92Å; L103-I110 HydrophobicContact CB-CG1 3.79Å; L103-I110 HydrophobicContact CD1-CD1 4.37Å; E104-I110 WeakPolarHBondContact O-CG1 3.41Å; T107-I110 PolarHBondContact O-N 2.81Å; T107-I110 VanDerWaalsContact O-N 3.17Å; T107-I110 WeakPolarHBondContact OG1-CG1 3.43Å; T107-I110 PolarHBondContact OG1-N 3.26Å; I110-F113 PolarHBondContact O-N 3.47Å; I110-S114 WeakPolarHBondContact O-CB 3.21Å; I110-S114 PolarHBondContact O-N 2.87Å; I110-S114 PolarHBondContact O-OG 2.79Å; I110-Y169 HydrophobicContact CD1-CE2 4.35Å; I110-F171 HydrophobicContact CD1-CZ 4.49Å; I110-F171 HydrophobicContact CG2-CZ 4.05Å |
| 111 | E | 96.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 25.5 Ų | 25.5 | 30% | 0.299 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.3 | -46.1 | 177.2 | -169 | -179.7 | 156.6 | 0 | 0 | 112.1 | T107 A109 F113 S114 T115 R244 L248 | T107-E111 PolarHBondContact O-N 3.43Å; T107-E111 VanDerWaalsContact O-N 3.09Å; A109-E111 VanDerWaalsContact C-N 3.33Å; E111-F113 VanDerWaalsContact C-N 3.33Å; E111-F113 PolarHBondContact O-N 3.45Å; E111-S114 PolarHBondContact O-N 3.45Å; E111-T115 WeakPolarHBondContact O-CB 3.22Å; E111-T115 PolarHBondContact O-N 3.36Å; E111-T115 PolarHBondContact O-OG1 3.48Å; E111-R244 IonicContact OE1-CZ 3.99Å; E111-R244 IonicContact OE1-NE 3.89Å; E111-R244 PolarHBondContact OE1-NE 2.96Å; E111-R244 IonicContact OE1-NH2 2.88Å; E111-R244 PolarHBondContact OE1-NH2 2.91Å; E111-R244 IonicContact OE2-CZ 2.98Å; E111-R244 IonicContact OE2-NE 2.74Å; E111-R244 IonicContact OE2-NH2 2.97Å; E111-R244 PolarHBondContact OE2-NH2 2.74Å; E111-L248 HydrophobicContact CB-CD1 4.27Å; E111-L248 HydrophobicContact CB-CD2 4.16Å; E111-L248 HydrophobicContact CG-CD1 3.8Å; E111-L248 HydrophobicContact CG-CD2 4.29Å |
| 112 | L | 96.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 175.4 | 179.9 | 66.5 | 0 | 0 | 0 | 110.6 | S108 A109 T115 S116 L245 L248 L249 I252 I334 | S108-L112 VanDerWaalsContact O-CB 3.23Å; S108-L112 WeakPolarHBondContact O-CB 3.39Å; S108-L112 PolarHBondContact O-N 2.73Å; A109-L112 PolarHBondContact O-N 3.17Å; L112-T115 PolarHBondContact O-N 2.99Å; L112-S116 WeakPolarHBondContact CD1-OG 3.22Å; L112-S116 WeakPolarHBondContact O-CB 3.43Å; L112-S116 PolarHBondContact O-N 3.34Å; L112-S116 PolarHBondContact O-OG 2.66Å; L112-L245 HydrophobicContact CD1-CD1 3.58Å; L112-L248 HydrophobicContact CB-CB 4.28Å; L112-L248 HydrophobicContact CD1-CB 4.11Å; L112-L249 HydrophobicContact CD1-CD2 3.85Å; L112-L249 HydrophobicContact CD1-CG 4.07Å; L112-L249 HydrophobicContact CD2-CD2 4.1Å; L112-I252 HydrophobicContact CD2-CB 4.1Å; L112-I252 HydrophobicContact CD2-CG1 3.63Å; L112-I252 HydrophobicContact CD2-CG2 4.24Å; L112-I334 HydrophobicContact CD2-CD1 3.89Å |
| 113 | F | 96.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -51.1 | 179 | 174.8 | -109.3 | 0 | 0 | 0 | 111.3 | L78 V81 M82 I97 F101 A109 I110 E111 L117 L119 F171 | L78-F113 HydrophobicContact CD1-CB 4.14Å; L78-F113 HydrophobicContact CD1-CD1 4.31Å; L78-F113 HydrophobicContact CD1-CD2 3.82Å; L78-F113 HydrophobicContact CD1-CE2 4.32Å; L78-F113 HydrophobicContact CD1-CG 3.82Å; L78-F113 HydrophobicContact CD2-CB 3.99Å; L78-F113 HydrophobicContact CG-CB 4.17Å; L78-F113 HydrophobicContact CG-CD2 4.19Å; L78-F113 HydrophobicContact CG-CG 4.29Å; V81-F113 HydrophobicContact CB-CE2 4.42Å; V81-F113 HydrophobicContact CG1-CE2 3.65Å; V81-F113 HydrophobicContact CG1-CZ 3.86Å; M82-F113 HydrophobicContact CB-CD2 4.02Å; M82-F113 HydrophobicContact CB-CE2 4.28Å; M82-F113 HydrophobicContact CG-CD2 4.44Å; I97-F113 HydrophobicContact CD1-CZ 4.08Å; I97-F113 HydrophobicContact CG2-CZ 4.4Å; F101-F113 HydrophobicContact CE1-CD1 4.08Å; F101-F113 AromaticContact CE1-CE1 3.59Å; F101-F113 HydrophobicContact CE1-CE1 3.59Å; F101-F113 AromaticContact CE1-CZ 3.94Å; F101-F113 HydrophobicContact CE1-CZ 3.94Å; F101-F113 AromaticContact CZ-CE1 3.89Å; F101-F113 HydrophobicContact CZ-CE1 3.89Å; F101-F113 HydrophobicContact CZ-CZ 4.21Å; A109-F113 WeakPolarHBondContact O-CB 3.07Å; A109-F113 PolarHBondContact O-N 2.77Å; I110-F113 PolarHBondContact O-N 3.47Å; E111-F113 VanDerWaalsContact C-N 3.33Å; E111-F113 PolarHBondContact O-N 3.45Å; F113-L117 HydrophobicContact CD2-CD1 4.05Å; F113-L117 HydrophobicContact CE2-CD1 3.43Å; F113-L117 VanDerWaalsContact CE2-CD1 3.43Å; F113-L117 HydrophobicContact CZ-CD1 3.85Å; F113-L117 WeakPolarHBondContact O-CB 3.3Å; F113-L117 PolarHBondContact O-N 2.94Å; F113-L117 VanDerWaalsContact O-N 3.13Å; F113-L119 HydrophobicContact CD1-CD1 3.95Å; F113-L119 HydrophobicContact CE1-CD1 3.39Å; F113-L119 HydrophobicContact CE2-CD1 4.44Å; F113-L119 HydrophobicContact CZ-CD1 3.68Å; F113-F171 HydrophobicContact CD1-CD2 4.41Å; F113-F171 HydrophobicContact CD1-CE2 4.24Å; F113-F171 AromaticContact CE1-CD2 3.79Å; F113-F171 HydrophobicContact CE1-CD2 3.79Å; F113-F171 HydrophobicContact CE1-CE2 4.01Å; F113-F171 HydrophobicContact CE1-CG 4.37Å |
| 114 | S | 94.5 | Very high | 94 | Very high | 20 Ų | 20 | 28 Ų | 28 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | -179.2 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | I110 E111 L117 K118 L119 | I110-S114 WeakPolarHBondContact O-CB 3.21Å; I110-S114 PolarHBondContact O-N 2.87Å; I110-S114 PolarHBondContact O-OG 2.79Å; E111-S114 PolarHBondContact O-N 3.45Å; S114-L117 CarbonylContact O-C 3.53Å; S114-L117 PolarHBondContact O-N 3.26Å; S114-K118 CarbonylContact O-C 3.53Å; S114-K118 WeakPolarHBondContact O-CA 3.46Å; S114-K118 PolarHBondContact O-N 2.91Å; S114-L119 PolarHBondContact O-N 3.11Å |
| 115 | T | 91 | Very high | 93.6 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 36% | 0.356 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.1 | -48.8 | 179.5 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | E111 L112 L117 K118 L245 | E111-T115 WeakPolarHBondContact O-CB 3.22Å; E111-T115 PolarHBondContact O-N 3.36Å; E111-T115 PolarHBondContact O-OG1 3.48Å; L112-T115 PolarHBondContact O-N 2.99Å; T115-L117 PolarHBondContact O-N 3.47Å; T115-K118 PolarHBondContact O-N 3.27Å; T115-K118 VanDerWaalsContact O-N 3.12Å; T115-L245 HydrophobicContact CG2-CD1 4.33Å |
| 116 | S | 89.2 | Confident | 92.9 | Very high | 16 Ų | 16 | 29.5 Ų | 29.5 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -23.8 | -177.6 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | M82 R86 L112 | M82-S116 WeakPolarHBondContact SD-CB 3.4Å; R86-S116 PolarHBondContact NH1-O 3.29Å; L112-S116 WeakPolarHBondContact CD1-OG 3.22Å; L112-S116 WeakPolarHBondContact O-CB 3.43Å; L112-S116 PolarHBondContact O-N 3.34Å; L112-S116 PolarHBondContact O-OG 2.66Å |
| 117 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 4.1 | 176.1 | -69.5 | -175.2 | 0 | 0 | 0 | 114.4 | M82 V85 R86 I97 F113 S114 T115 L119 R173 I178 | M82-L117 HydrophobicContact CG-CD1 4.32Å; M82-L117 HydrophobicContact CG-CD2 4.27Å; M82-L117 HydrophobicContact CG-CG 4.02Å; V85-L117 HydrophobicContact CB-CD1 3.9Å; V85-L117 HydrophobicContact CG1-CD1 3.82Å; V85-L117 HydrophobicContact CG1-CD2 4.37Å; R86-L117 HydrophobicContact CB-CD2 4.18Å; I97-L117 HydrophobicContact CD1-CD1 4.37Å; F113-L117 HydrophobicContact CD2-CD1 4.05Å; F113-L117 HydrophobicContact CE2-CD1 3.43Å; F113-L117 VanDerWaalsContact CE2-CD1 3.43Å; F113-L117 HydrophobicContact CZ-CD1 3.85Å; F113-L117 WeakPolarHBondContact O-CB 3.3Å; F113-L117 PolarHBondContact O-N 2.94Å; F113-L117 VanDerWaalsContact O-N 3.13Å; S114-L117 CarbonylContact O-C 3.53Å; S114-L117 PolarHBondContact O-N 3.26Å; T115-L117 PolarHBondContact O-N 3.47Å; L117-L119 HydrophobicContact CB-CD1 3.65Å; L117-L119 HydrophobicContact CB-CD2 4.18Å; L117-L119 HydrophobicContact CB-CG 3.56Å; L117-L119 HydrophobicContact CD1-CD1 3.91Å; L117-L119 HydrophobicContact CG-CD1 4.45Å; L117-L119 PolarHBondContact O-N 3.33Å; L117-R173 WeakPolarHBondContact O-CD 3.35Å; L117-R173 PolarHBondContact O-NE 3.28Å; L117-I178 HydrophobicContact CB-CD1 4.25Å; L117-I178 HydrophobicContact CD2-CD1 3.97Å; L117-I178 VanDerWaalsContact O-CD1 3.27Å; L117-I178 WeakPolarHBondContact O-CD1 3.41Å |
| 118 | K | 89.1 | Confident | 90.5 | Very high | 61 Ų | 61 | 30.6 Ų | 30.6 | 27% | 0.265 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 45 | -175.6 | -57 | -175.5 | 179.1 | -171.7 | 0 | 112.8 | S114 T115 I178 I350 K351 | S114-K118 CarbonylContact O-C 3.53Å; S114-K118 WeakPolarHBondContact O-CA 3.46Å; S114-K118 PolarHBondContact O-N 2.91Å; T115-K118 PolarHBondContact O-N 3.27Å; T115-K118 VanDerWaalsContact O-N 3.12Å; K118-I178 HydrophobicContact CG-CD1 4.46Å; K118-I350 WeakPolarHBondContact CE-O 3.37Å; K118-I350 PolarHBondContact NZ-O 3.04Å; K118-K351 WeakPolarHBondContact CD-OXT 3.44Å; K118-K351 VanDerWaalsContact CE-C 3.49Å; K118-K351 WeakPolarHBondContact CE-OXT 3.48Å; K118-K351 PolarHBondContact NZ-O 3.2Å; K118-K351 PolarHBondContact NZ-OXT 2.96Å |
| 119 | L | 94.3 | Very high | 89.1 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 141.2 | -177.3 | -61.4 | 170 | 0 | 0 | 0 | 110.4 | I95 I97 F113 S114 L117 F171 R173 | I95-L119 HydrophobicContact CD1-CD2 4.03Å; I97-L119 HydrophobicContact CD1-CD1 3.63Å; I97-L119 HydrophobicContact CD1-CD2 3.68Å; I97-L119 HydrophobicContact CD1-CG 4.31Å; F113-L119 HydrophobicContact CD1-CD1 3.95Å; F113-L119 HydrophobicContact CE1-CD1 3.39Å; F113-L119 HydrophobicContact CE2-CD1 4.44Å; F113-L119 HydrophobicContact CZ-CD1 3.68Å; S114-L119 PolarHBondContact O-N 3.11Å; L117-L119 HydrophobicContact CB-CD1 3.65Å; L117-L119 HydrophobicContact CB-CD2 4.18Å; L117-L119 HydrophobicContact CB-CG 3.56Å; L117-L119 HydrophobicContact CD1-CD1 3.91Å; L117-L119 HydrophobicContact CG-CD1 4.45Å; L117-L119 PolarHBondContact O-N 3.33Å; L119-F171 HydrophobicContact CB-CB 4.14Å; L119-F171 HydrophobicContact CB-CD1 4.33Å; L119-F171 HydrophobicContact CD1-CB 3.99Å; L119-F171 HydrophobicContact CD1-CG 4.3Å; L119-F171 HydrophobicContact CD2-CB 4.46Å; L119-F171 HydrophobicContact CG-CB 4.42Å; L119-R173 HydrophobicContact CD2-CG 4.11Å |
| 120 | S | 95.1 | Very high | 87.6 | Confident | 39 Ų | 39 | 34 Ų | 34 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.3 | 163.4 | -73.4 | 0 | 0 | 0 | 0 | 109.8 | N125 F171 Y172 | S120-N125 WeakPolarHBondContact CB-ND2 3.39Å; S120-N125 PolarHBondContact OG-ND2 3.09Å; S120-F171 CarbonylContact O-C 3.54Å; S120-F171 VanDerWaalsContact O-CA 3.27Å; S120-F171 WeakPolarHBondContact O-CA 3.47Å; S120-Y172 WeakPolarHBondContact CB-O 3.45Å; S120-Y172 PolarHBondContact N-O 3.16Å; S120-Y172 WeakPolarHBondContact O-CD1 3.24Å; S120-Y172 PolarHBondContact O-N 2.94Å |
| 121 | D | 96 | Very high | 86.1 | Confident | 17 Ų | 17 | 41.8 Ų | 41.8 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.7 | 169.2 | -177.4 | -19.8 | 0 | 0 | 0 | 109 | W123 L124 N125 R166 F171 | D121-W123 PolarHBondContact O-N 3.15Å; D121-W123 WeakPolarHBondContact OD1-CB 3.47Å; D121-W123 PolarHBondContact OD1-N 3.41Å; D121-L124 HydrophobicContact CB-CB 4.12Å; D121-L124 HydrophobicContact CB-CD1 4.28Å; D121-L124 HydrophobicContact CB-CG 4.26Å; D121-L124 PolarHBondContact O-N 3.06Å; D121-N125 VanDerWaalsContact O-CB 3.28Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 3.02Å; D121-R166 IonicContact OD1-NH1 3.17Å; D121-R166 IonicContact OD2-CZ 3.52Å; D121-R166 IonicContact OD2-NH1 3.87Å; D121-R166 PolarHBondContact OD2-NH1 3.37Å; D121-R166 IonicContact OD2-NH2 3.75Å; D121-R166 PolarHBondContact OD2-NH2 3.41Å; D121-F171 HydrophobicContact CB-CD1 4.15Å; D121-F171 HydrophobicContact CB-CE1 3.96Å |
| 122 | A | 95.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N126 I170 Y172 C195 A219 F221 | A122-N126 PolarHBondContact O-N 3.02Å; A122-I170 HydrophobicContact CB-CB 3.92Å; A122-I170 HydrophobicContact CB-CG2 4.03Å; A122-I170 WeakPolarHBondContact CB-O 3.44Å; A122-I170 PolarHBondContact N-O 2.94Å; A122-Y172 HydrophobicContact CB-CD1 4.14Å; A122-Y172 HydrophobicContact CB-CE1 4.16Å; A122-C195 HydrophobicContact CB-CB 4.35Å; A122-C195 WeakPolarHBondContact O-CB 3.44Å; A122-A219 HydrophobicContact CB-CB 4.13Å; A122-F221 HydrophobicContact CB-CZ 4.18Å |
| 123 | W | 94.8 | Very high | 83.7 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -52.3 | 177.7 | -173.7 | -102 | 0 | 0 | 0 | 110.7 | D121 N125 N126 L138 E141 G142 C195 L197 | D121-W123 PolarHBondContact O-N 3.15Å; D121-W123 WeakPolarHBondContact OD1-CB 3.47Å; D121-W123 PolarHBondContact OD1-N 3.41Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 3.29Å; W123-N126 VanDerWaalsContact O-CB 3.22Å; W123-N126 WeakPolarHBondContact O-CB 3.47Å; W123-N126 PolarHBondContact O-N 2.86Å; W123-L138 HydrophobicContact CZ2-CD1 4.08Å; W123-L138 PolarHBondContact NE1-O 3.33Å; W123-E141 HydrophobicContact CH2-CG 4.43Å; W123-E141 HydrophobicContact CZ2-CB 4.28Å; W123-E141 HydrophobicContact CZ2-CG 4.26Å; W123-G142 VanDerWaalsContact CZ2-N 3.31Å; W123-C195 HydrophobicContact CE3-CB 4.42Å; W123-L197 HydrophobicContact CH2-CD2 4.5Å; W123-L197 HydrophobicContact CH2-CG 4.02Å; W123-L197 HydrophobicContact CZ3-CD2 4.1Å; W123-L197 HydrophobicContact CZ3-CG 3.97Å |
| 124 | L | 90.5 | Very high | 83.1 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -29.3 | -179.2 | -62.4 | 179.8 | 0 | 0 | 0 | 112.8 | D121 N126 L130 L138 | D121-L124 HydrophobicContact CB-CB 4.12Å; D121-L124 HydrophobicContact CB-CD1 4.28Å; D121-L124 HydrophobicContact CB-CG 4.26Å; D121-L124 PolarHBondContact O-N 3.06Å; L124-N126 PolarHBondContact O-N 3.27Å; L124-L130 WeakPolarHBondContact O-CD1 3.4Å; L124-L138 HydrophobicContact CD2-CD2 4.22Å |
| 125 | N | 86.3 | Confident | 82.5 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 33% | 0.326 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 8.3 | 174.8 | -78.2 | -0.9 | 0 | 0 | 0 | 113.9 | S120 D121 W123 T127 Y172 | S120-N125 WeakPolarHBondContact CB-ND2 3.39Å; S120-N125 PolarHBondContact OG-ND2 3.09Å; D121-N125 VanDerWaalsContact O-CB 3.28Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 3.02Å; W123-N125 VanDerWaalsContact C-N 3.34Å; W123-N125 PolarHBondContact O-N 3.29Å; N125-T127 VanDerWaalsContact C-N 3.31Å; N125-T127 PolarHBondContact O-N 3.2Å; N125-Y172 PolarHBondContact ND2-OH 2.89Å |
| 126 | N | 77.5 | Confident | 82.2 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | trans | -68.8 | 88.3 | 175.1 | -174.2 | -5.2 | 0 | 0 | 0 | 110.9 | A122 W123 L124 V128 A129 L130 C195 | A122-N126 PolarHBondContact O-N 3.02Å; W123-N126 VanDerWaalsContact O-CB 3.22Å; W123-N126 WeakPolarHBondContact O-CB 3.47Å; W123-N126 PolarHBondContact O-N 2.86Å; L124-N126 PolarHBondContact O-N 3.27Å; N126-V128 PolarHBondContact O-N 3.48Å; N126-V128 VanDerWaalsContact O-N 3.07Å; N126-V128 PolarHBondContact OD1-N 3.3Å; N126-A129 HydrophobicContact CB-CB 4.12Å; N126-A129 PolarHBondContact O-N 3.05Å; N126-A129 VanDerWaalsContact O-N 3.09Å; N126-A129 PolarHBondContact OD1-N 3.12Å; N126-L130 PolarHBondContact O-N 3.02Å; N126-C195 HydrophobicContact CB-CB 4.33Å; N126-C195 PolarHBondContact ND2-O 2.89Å | ||
| 127 | T | 67.6 | Low | 82.1 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -22 | -178.5 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | N125 K131 | N125-T127 VanDerWaalsContact C-N 3.31Å; N125-T127 PolarHBondContact O-N 3.2Å; T127-K131 WeakPolarHBondContact O-CG 3.43Å |
| 128 | V | 66.4 | Low | 81.9 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -43.7 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | N126 | N126-V128 PolarHBondContact O-N 3.48Å; N126-V128 VanDerWaalsContact O-N 3.07Å; N126-V128 PolarHBondContact OD1-N 3.3Å |
| 129 | A | 65.7 | Low | 81.9 | Confident | 21 Ų | 21 | 60.1 Ų | 60.1 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -46.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N126 K131 N132 T133 L138 | N126-A129 HydrophobicContact CB-CB 4.12Å; N126-A129 PolarHBondContact O-N 3.05Å; N126-A129 VanDerWaalsContact O-N 3.09Å; N126-A129 PolarHBondContact OD1-N 3.12Å; A129-K131 PolarHBondContact O-N 3Å; A129-N132 PolarHBondContact O-N 3.3Å; A129-T133 PolarHBondContact O-N 2.92Å; A129-T133 PolarHBondContact O-OG1 2.89Å; A129-L138 HydrophobicContact CB-CD1 3.73Å |
| 130 | L | 67.2 | Low | 81.6 | Confident | 74 Ų | 74 | 61.7 Ų | 61.7 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23.1 | -179.6 | -78.4 | 176.5 | 0 | 0 | 0 | 114.9 | L124 N126 N132 L138 | L124-L130 WeakPolarHBondContact O-CD1 3.4Å; N126-L130 PolarHBondContact O-N 3.02Å; L130-N132 PolarHBondContact O-N 3.03Å; L130-L138 HydrophobicContact CD2-CD2 3.54Å; L130-L138 HydrophobicContact CG-CD2 4.09Å |
| 131 | K | 66.3 | Low | 81.4 | Confident | 171 Ų | 171 | 64.8 Ų | 64.8 | 74% | 0.743 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.8 | 177.8 | -79.6 | 174.5 | -177.3 | -178.1 | 0 | 113.2 | T127 A129 | T127-K131 WeakPolarHBondContact O-CG 3.43Å; A129-K131 PolarHBondContact O-N 3Å |
| 132 | N | 69 | Low | 81.2 | Confident | 138 Ų | 138 | 64 Ų | 64 | 74% | 0.738 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -11.7 | -166.7 | -62.8 | -33.9 | 0 | 0 | 0 | 113.7 | A129 L130 | A129-N132 PolarHBondContact O-N 3.3Å; L130-N132 PolarHBondContact O-N 3.03Å |
| 133 | T | 73.5 | Confident | 81.2 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -136.4 | 149.6 | -172.7 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | A129 | A129-T133 PolarHBondContact O-N 2.92Å; A129-T133 PolarHBondContact O-OG1 2.89Å |
| 134 | N | 84.1 | Confident | 81.3 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | trans | -72.8 | 166.2 | 167.8 | 67.9 | 47.8 | 0 | 0 | 0 | 110 | T136 D137 L138 | N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.46Å; N134-T136 WeakPolarHBondContact OD1-CB 3.48Å; N134-T136 PolarHBondContact OD1-N 2.87Å; N134-T136 VanDerWaalsContact OD1-N 3.07Å; N134-D137 VanDerWaalsContact CG-OD2 3.27Å; N134-D137 PolarHBondContact ND2-OD2 3.21Å; N134-D137 PolarHBondContact O-N 2.96Å; N134-D137 WeakPolarHBondContact OD1-CB 3.41Å; N134-D137 VanDerWaalsContact OD1-CG 3.25Å; N134-D137 PolarHBondContact OD1-N 3.27Å; N134-D137 PolarHBondContact OD1-OD2 2.87Å; N134-L138 WeakPolarHBondContact O-CB 3.48Å; N134-L138 PolarHBondContact O-N 2.77Å | ||
| 135 | I | 82.3 | Confident | 81.6 | Confident | 112 Ų | 112 | 61.5 Ų | 61.5 | 57% | 0.574 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | -177.5 | -64.7 | 171.7 | 0 | 0 | 0 | 111.5 | L138 E139 | I135-L138 PolarHBondContact O-N 3.42Å; I135-E139 HydrophobicContact CG2-CG 4.29Å; I135-E139 WeakPolarHBondContact O-CB 3.29Å; I135-E139 WeakPolarHBondContact O-CG 3.26Å; I135-E139 PolarHBondContact O-N 2.99Å |
| 136 | T | 83.9 | Confident | 82 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 66% | 0.656 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | -179.5 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | N134 E139 S140 | N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.46Å; N134-T136 WeakPolarHBondContact OD1-CB 3.48Å; N134-T136 PolarHBondContact OD1-N 2.87Å; N134-T136 VanDerWaalsContact OD1-N 3.07Å; T136-E139 PolarHBondContact O-N 3.19Å; T136-S140 WeakPolarHBondContact O-CB 3.36Å; T136-S140 PolarHBondContact O-N 2.74Å |
| 137 | D | 86.4 | Confident | 82.9 | Confident | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 178.1 | -63.8 | -27.1 | 0 | 0 | 0 | 110.6 | N134 S140 E141 | N134-D137 VanDerWaalsContact CG-OD2 3.27Å; N134-D137 PolarHBondContact ND2-OD2 3.21Å; N134-D137 PolarHBondContact O-N 2.96Å; N134-D137 WeakPolarHBondContact OD1-CB 3.41Å; N134-D137 VanDerWaalsContact OD1-CG 3.25Å; N134-D137 PolarHBondContact OD1-N 3.27Å; N134-D137 PolarHBondContact OD1-OD2 2.87Å; D137-S140 PolarHBondContact O-N 3.42Å; D137-E141 WeakPolarHBondContact O-CB 3.46Å; D137-E141 PolarHBondContact O-N 3.28Å |
| 138 | L | 87.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.2 | -179.3 | 63.3 | 0 | 0 | 0 | 112 | W123 L124 A129 L130 N134 I135 G142 | W123-L138 HydrophobicContact CZ2-CD1 4.08Å; W123-L138 PolarHBondContact NE1-O 3.33Å; L124-L138 HydrophobicContact CD2-CD2 4.22Å; A129-L138 HydrophobicContact CB-CD1 3.73Å; L130-L138 HydrophobicContact CD2-CD2 3.54Å; L130-L138 HydrophobicContact CG-CD2 4.09Å; N134-L138 WeakPolarHBondContact O-CB 3.48Å; N134-L138 PolarHBondContact O-N 2.77Å; I135-L138 PolarHBondContact O-N 3.42Å; L138-G142 PolarHBondContact O-N 3.12Å; L138-G142 VanDerWaalsContact O-N 3.09Å |
| 139 | E | 89.2 | Confident | 85.4 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 17% | 0.173 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.5 | -76.7 | -72.9 | -172.3 | 0 | 0 | 111.3 | S105 I135 T136 E141 G142 C143 R166 | S105-E139 WeakPolarHBondContact CB-OE1 3.3Å; S105-E139 VanDerWaalsContact OG-CD 3.22Å; S105-E139 PolarHBondContact OG-OE1 3.42Å; S105-E139 PolarHBondContact OG-OE2 2.83Å; I135-E139 HydrophobicContact CG2-CG 4.29Å; I135-E139 WeakPolarHBondContact O-CB 3.29Å; I135-E139 WeakPolarHBondContact O-CG 3.26Å; I135-E139 PolarHBondContact O-N 2.99Å; T136-E139 PolarHBondContact O-N 3.19Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 2.95Å; E139-G142 CarbonylContact O-C 3.59Å; E139-G142 PolarHBondContact O-N 3.06Å; E139-C143 PolarHBondContact O-N 2.73Å; E139-R166 IonicContact OE1-CZ 2.83Å; E139-R166 IonicContact OE1-NE 3.76Å; E139-R166 IonicContact OE1-NH2 3.83Å; E139-R166 PolarHBondContact OE1-NH2 2.91Å; E139-R166 IonicContact OE2-CZ 3.38Å; E139-R166 IonicContact OE2-NE 3.58Å; E139-R166 PolarHBondContact OE2-NE 2.94Å; E139-R166 IonicContact OE2-NH2 3.53Å; E139-R166 PolarHBondContact OE2-NH2 2.65Å; E139-R166 VanDerWaalsContact OE2-NH2 3.17Å |
| 140 | S | 89.4 | Confident | 86.8 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | T136 D137 G142 C143 N163 | T136-S140 WeakPolarHBondContact O-CB 3.36Å; T136-S140 PolarHBondContact O-N 2.74Å; D137-S140 PolarHBondContact O-N 3.42Å; S140-G142 VanDerWaalsContact C-N 3.26Å; S140-G142 PolarHBondContact O-N 2.81Å; S140-C143 PolarHBondContact O-SG 2.87Å; S140-N163 PolarHBondContact O-ND2 2.98Å |
| 141 | E | 89.7 | Confident | 88.1 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -32.8 | 174.6 | -175.4 | 176.4 | -174.7 | 0 | 0 | 111.8 | W123 D137 E139 C143 R147 L197 | W123-E141 HydrophobicContact CH2-CG 4.43Å; W123-E141 HydrophobicContact CZ2-CB 4.28Å; W123-E141 HydrophobicContact CZ2-CG 4.26Å; D137-E141 WeakPolarHBondContact O-CB 3.46Å; D137-E141 PolarHBondContact O-N 3.28Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 2.95Å; E141-C143 VanDerWaalsContact C-N 3.34Å; E141-C143 PolarHBondContact O-N 2.87Å; E141-R147 PolarHBondContact O-NH1 2.99Å; E141-L197 WeakPolarHBondContact O-CD1 3.46Å |
| 142 | G | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | W123 L138 E139 S140 T144 R166 | W123-G142 VanDerWaalsContact CZ2-N 3.31Å; L138-G142 PolarHBondContact O-N 3.12Å; L138-G142 VanDerWaalsContact O-N 3.09Å; E139-G142 CarbonylContact O-C 3.59Å; E139-G142 PolarHBondContact O-N 3.06Å; S140-G142 VanDerWaalsContact C-N 3.26Å; S140-G142 PolarHBondContact O-N 2.81Å; G142-T144 PolarHBondContact O-N 3.32Å; G142-R166 VanDerWaalsContact O-CD 3.28Å; G142-R166 WeakPolarHBondContact O-CD 3.31Å; G142-R166 VanDerWaalsContact O-CG 3.27Å; G142-R166 WeakPolarHBondContact O-CG 3.43Å |
| 143 | C | 95.5 | Very high | 90.8 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 7% | 0.068 | 27% | 0.273 | C | S | . | . | trans | -57 | 132.1 | 175.4 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | E139 S140 E141 R147 N163 G164 E165 | E139-C143 PolarHBondContact O-N 2.73Å; S140-C143 PolarHBondContact O-SG 2.87Å; E141-C143 VanDerWaalsContact C-N 3.34Å; E141-C143 PolarHBondContact O-N 2.87Å; C143-R147 HydrophobicContact CB-CG 4.1Å; C143-R147 WeakPolarHBondContact O-CD 3.34Å; C143-R147 WeakPolarHBondContact O-CG 3.16Å; C143-R147 PolarHBondContact O-NH1 2.87Å; C143-N163 WeakPolarHBondContact CB-O 3.45Å; C143-N163 PolarHBondContact SG-O 3.41Å; C143-G164 VanDerWaalsContact SG-C 3.54Å; C143-G164 PolarHBondContact SG-O 3.11Å; C143-E165 CarbonylContact C-O 3.54Å; C143-E165 WeakPolarHBondContact CA-O 3.2Å | ||
| 144 | T | 97.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | trans | -105.9 | -26.8 | -176.3 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | G142 E165 L167 D168 L197 H214 E215 V217 | G142-T144 PolarHBondContact O-N 3.32Å; T144-E165 PolarHBondContact N-O 3.35Å; T144-L167 PolarHBondContact OG1-N 3.29Å; T144-D168 WeakPolarHBondContact CB-OD2 3.3Å; T144-D168 HydrophobicContact CG2-CB 3.87Å; T144-D168 PolarHBondContact OG1-N 3.07Å; T144-D168 VanDerWaalsContact OG1-N 3.13Å; T144-D168 PolarHBondContact OG1-OD2 3.04Å; T144-L197 HydrophobicContact CG2-CD2 3.88Å; T144-H214 CarbonylContact O-C 3.49Å; T144-H214 WeakPolarHBondContact O-CA 3.42Å; T144-E215 PolarHBondContact O-N 2.92Å; T144-V217 HydrophobicContact CG2-CG2 3.6Å | ||
| 145 | C | 96.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -120.9 | 163.6 | 175.7 | 75.5 | 0 | 0 | 0 | 0 | 111.5 | R147 G164 E165 L167 | C145-R147 PolarHBondContact O-N 3.15Å; C145-G164 VanDerWaalsContact O-CA 3.28Å; C145-G164 WeakPolarHBondContact O-CA 3.33Å; C145-E165 PolarHBondContact N-O 2.91Å; C145-E165 PolarHBondContact O-N 3.45Å; C145-L167 HydrophobicContact CB-CD1 4.42Å; C145-L167 WeakPolarHBondContact SG-CD1 3.33Å |
| 146 | D | 95.7 | Very high | 92.9 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 52.3 | 23.4 | 175.1 | -65.4 | -48.7 | 0 | 0 | 0 | 115.5 | R153 N154 W157 T158 G164 | D146-R153 HydrophobicContact CB-CB 4.46Å; D146-N154 WeakPolarHBondContact OD1-CB 3.46Å; D146-N154 PolarHBondContact OD1-N 3.37Å; D146-W157 HydrophobicContact CB-CB 4.3Å; D146-T158 WeakPolarHBondContact O-CB 3.17Å; D146-T158 WeakPolarHBondContact O-CG2 3.46Å; D146-T158 PolarHBondContact O-OG1 2.96Å; D146-G164 VanDerWaalsContact O-CA 3.28Å; D146-G164 WeakPolarHBondContact O-CA 3.4Å; D146-G164 PolarHBondContact O-N 2.95Å |
| 147 | R | 95.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 7% | 0.072 | 25% | 0.25 | C | C | . | . | trans | -62.1 | 145.6 | -179.7 | -62.6 | 177.6 | 62.8 | 90.6 | -0.3 | 111 | E141 C143 C145 D149 N150 R153 E215 | E141-R147 PolarHBondContact O-NH1 2.99Å; C143-R147 HydrophobicContact CB-CG 4.1Å; C143-R147 WeakPolarHBondContact O-CD 3.34Å; C143-R147 WeakPolarHBondContact O-CG 3.16Å; C143-R147 PolarHBondContact O-NH1 2.87Å; C145-R147 PolarHBondContact O-N 3.15Å; R147-D149 VanDerWaalsContact CB-OD1 3.24Å; R147-D149 WeakPolarHBondContact CB-OD1 3.32Å; R147-D149 IonicContact CZ-OD1 3.29Å; R147-D149 IonicContact NE-OD1 2.7Å; R147-D149 PolarHBondContact NE-OD1 3.32Å; R147-D149 IonicContact NH2-OD1 3.35Å; R147-D149 PolarHBondContact O-N 3.5Å; R147-D149 VanDerWaalsContact O-N 3.12Å; R147-N150 HydrophobicContact CB-CB 4.24Å; R147-N150 PolarHBondContact O-N 3.28Å; R147-N150 VanDerWaalsContact O-N 3.08Å; R147-R153 WeakPolarHBondContact O-CD 3.28Å; R147-E215 HydrophobicContact CG-CG 4.44Å | ||
| 148 | A | 94.5 | Very high | 93.9 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 41% | 0.405 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R153 T158 N163 | A148-R153 PolarHBondContact O-NH1 2.76Å; A148-R153 VanDerWaalsContact O-NH1 3.17Å; A148-T158 HydrophobicContact CB-CG2 3.97Å; A148-N163 PolarHBondContact N-OD1 3.2Å |
| 149 | D | 93.4 | Very high | 94.2 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 36% | 0.358 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -11.2 | 179.6 | 65.1 | -32.3 | 0 | 0 | 0 | 114.7 | R147 H210 | R147-D149 VanDerWaalsContact CB-OD1 3.24Å; R147-D149 WeakPolarHBondContact CB-OD1 3.32Å; R147-D149 IonicContact CZ-OD1 3.29Å; R147-D149 IonicContact NE-OD1 2.7Å; R147-D149 PolarHBondContact NE-OD1 3.32Å; R147-D149 IonicContact NH2-OD1 3.35Å; R147-D149 PolarHBondContact O-N 3.5Å; R147-D149 VanDerWaalsContact O-N 3.12Å; D149-H210 PolarHBondContact O-NE2 3.37Å |
| 150 | N | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -87.2 | 126.4 | 179.4 | -169.8 | -47.5 | 0 | 0 | 0 | 110.8 | R147 Y152 R153 H210 S212 E215 | R147-N150 HydrophobicContact CB-CB 4.24Å; R147-N150 PolarHBondContact O-N 3.28Å; R147-N150 VanDerWaalsContact O-N 3.08Å; N150-Y152 VanDerWaalsContact C-N 3.28Å; N150-Y152 PolarHBondContact O-N 3.17Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.24Å; N150-Y152 WeakPolarHBondContact OD1-CD2 3.48Å; N150-Y152 PolarHBondContact OD1-N 2.83Å; N150-R153 WeakPolarHBondContact O-CB 3.22Å; N150-R153 VanDerWaalsContact O-CD 3.25Å; N150-R153 WeakPolarHBondContact O-CD 3.39Å; N150-R153 VanDerWaalsContact O-CG 3.24Å; N150-R153 WeakPolarHBondContact O-CG 3.21Å; N150-R153 PolarHBondContact O-N 3.46Å; N150-R153 PolarHBondContact O-NH1 2.66Å; N150-H210 PolarHBondContact ND2-ND1 3.4Å; N150-S212 PolarHBondContact ND2-O 2.83Å; N150-E215 PolarHBondContact ND2-OE1 3.18Å | ||
| 151 | P | 94.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -16.4 | -177.2 | 29.6 | -35.8 | 0 | 0 | 0 | 114.4 | H210 | P151-H210 WeakPolarHBondContact CD-CD2 3.31Š|
| 152 | Y | 95.4 | Very high | 94.5 | Very high | 112 Ų | 112 | 50.8 Ų | 50.8 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -1.9 | 180 | -50.5 | -62.8 | 0 | 0 | 0 | 113.7 | N150 L209 H210 S212 D213 | N150-Y152 VanDerWaalsContact C-N 3.28Å; N150-Y152 PolarHBondContact O-N 3.17Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.24Å; N150-Y152 WeakPolarHBondContact OD1-CD2 3.48Å; N150-Y152 PolarHBondContact OD1-N 2.83Å; Y152-L209 WeakPolarHBondContact OH-CD1 3.44Å; Y152-H210 HydrophobicContact CD2-CB 4.16Å; Y152-H210 HydrophobicContact CE2-CB 3.74Å; Y152-H210 WeakPolarHBondContact CE2-O 3.08Å; Y152-H210 PolarHBondContact OH-O 2.79Å; Y152-S212 WeakPolarHBondContact CD2-O 3.32Å; Y152-D213 HydrophobicContact CG-CB 4.47Å |
| 153 | R | 95.2 | Very high | 94.5 | Very high | 76 Ų | 76 | 52.2 Ų | 52.2 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -54.9 | 148.8 | 179.8 | 71.8 | -169.8 | -179 | -93.4 | -1.8 | 112.8 | D146 R147 A148 N150 Q155 T158 | D146-R153 HydrophobicContact CB-CB 4.46Å; R147-R153 WeakPolarHBondContact O-CD 3.28Å; A148-R153 PolarHBondContact O-NH1 2.76Å; A148-R153 VanDerWaalsContact O-NH1 3.17Å; N150-R153 WeakPolarHBondContact O-CB 3.22Å; N150-R153 VanDerWaalsContact O-CD 3.25Å; N150-R153 WeakPolarHBondContact O-CD 3.39Å; N150-R153 VanDerWaalsContact O-CG 3.24Å; N150-R153 WeakPolarHBondContact O-CG 3.21Å; N150-R153 PolarHBondContact O-N 3.46Å; N150-R153 PolarHBondContact O-NH1 2.66Å; R153-Q155 VanDerWaalsContact NE-OE1 3.14Å; R153-Q155 PolarHBondContact O-N 3.09Å; R153-T158 WeakPolarHBondContact CD-OG1 3.39Å |
| 154 | N | 95.2 | Very high | 94.4 | Very high | 78 Ų | 78 | 52 Ų | 52 | 42% | 0.417 | 28% | 0.282 | S | S | . | . | trans | -78 | 108.4 | 162.5 | -171.3 | -42.3 | 0 | 0 | 0 | 109.9 | D146 L156 W157 T158 | D146-N154 WeakPolarHBondContact OD1-CB 3.46Å; D146-N154 PolarHBondContact OD1-N 3.37Å; N154-L156 PolarHBondContact O-N 3.03Å; N154-L156 VanDerWaalsContact O-N 3.1Å; N154-L156 WeakPolarHBondContact OD1-CB 3.46Å; N154-L156 PolarHBondContact OD1-N 3.45Å; N154-W157 HydrophobicContact CB-CB 4.13Å; N154-W157 HydrophobicContact CB-CG 4.1Å; N154-W157 PolarHBondContact O-N 2.88Å; N154-T158 PolarHBondContact O-N 3.38Å; N154-T158 PolarHBondContact O-OG1 3.47Å | ||
| 155 | Q | 95.1 | Very high | 94.2 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 42% | 0.421 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.2 | -33 | -176 | -169.4 | 64 | 49.1 | 0 | 0 | 113.6 | R153 N159 | R153-Q155 VanDerWaalsContact NE-OE1 3.14Å; R153-Q155 PolarHBondContact O-N 3.09Å; Q155-N159 PolarHBondContact NE2-OD1 3.01Å; Q155-N159 VanDerWaalsContact O-CB 3.31Å; Q155-N159 WeakPolarHBondContact O-CB 3.4Å; Q155-N159 PolarHBondContact O-N 3.18Å; Q155-N159 PolarHBondContact O-ND2 3.29Å; Q155-N159 PolarHBondContact O-OD1 3.39Å |
| 156 | L | 95.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 56% | 0.555 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 177.2 | 177.4 | 63.1 | 0 | 0 | 0 | 110.8 | L63 N154 N159 T160 | L63-L156 HydrophobicContact CD2-CD1 4.47Å; L63-L156 HydrophobicContact CD2-CD2 4.3Å; L63-L156 HydrophobicContact CD2-CG 4.02Å; N154-L156 PolarHBondContact O-N 3.03Å; N154-L156 VanDerWaalsContact O-N 3.1Å; N154-L156 WeakPolarHBondContact OD1-CB 3.46Å; N154-L156 PolarHBondContact OD1-N 3.45Å; L156-N159 PolarHBondContact O-N 2.98Å; L156-T160 PolarHBondContact O-N 3.19Å; L156-T160 VanDerWaalsContact O-N 3.08Å; L156-T160 PolarHBondContact O-OG1 3.3Å; L156-T160 VanDerWaalsContact O-OG1 3.12Å |
| 157 | W | 95 | Very high | 94.3 | Very high | 25 Ų | 25 | 52 Ų | 52 | 10% | 0.095 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -46.4 | -179.3 | -70.7 | 59.2 | 0 | 0 | 0 | 111 | R60 L63 D146 N154 N159 T160 Y161 E165 | R60-W157 HydrophobicContact CB-CH2 4.16Å; R60-W157 HydrophobicContact CG-CH2 3.94Å; L63-W157 HydrophobicContact CB-CZ2 4.15Å; L63-W157 HydrophobicContact CD1-CD2 3.8Å; L63-W157 HydrophobicContact CD1-CE3 4.05Å; L63-W157 HydrophobicContact CD1-CG 4.06Å; D146-W157 HydrophobicContact CB-CB 4.3Å; N154-W157 HydrophobicContact CB-CB 4.13Å; N154-W157 HydrophobicContact CB-CG 4.1Å; N154-W157 PolarHBondContact O-N 2.88Å; W157-N159 VanDerWaalsContact C-N 3.28Å; W157-N159 PolarHBondContact O-N 2.97Å; W157-T160 PolarHBondContact O-N 2.97Å; W157-T160 VanDerWaalsContact O-N 3.08Å; W157-Y161 AromaticContact CE3-CE2 3.95Å; W157-Y161 HydrophobicContact CE3-CE2 3.95Å; W157-Y161 VanDerWaalsContact O-CD2 3.27Å; W157-Y161 WeakPolarHBondContact O-CD2 3.35Å; W157-Y161 PolarHBondContact O-N 3.34Å; W157-E165 VanDerWaalsContact CE3-OE2 3.29Å; W157-E165 VanDerWaalsContact CZ3-OE2 3.26Å; W157-E165 WeakPolarHBondContact CZ3-OE2 3.41Å |
| 158 | T | 95.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.5 | -45 | 173.4 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | D146 A148 R153 N154 T160 G162 | D146-T158 WeakPolarHBondContact O-CB 3.17Å; D146-T158 WeakPolarHBondContact O-CG2 3.46Å; D146-T158 PolarHBondContact O-OG1 2.96Å; A148-T158 HydrophobicContact CB-CG2 3.97Å; R153-T158 WeakPolarHBondContact CD-OG1 3.39Å; N154-T158 PolarHBondContact O-N 3.38Å; N154-T158 PolarHBondContact O-OG1 3.47Å; T158-T160 VanDerWaalsContact C-N 3.31Å; T158-T160 PolarHBondContact O-N 3.47Å; T158-G162 CarbonylContact O-C 3.44Å; T158-G162 VanDerWaalsContact O-CA 3.3Å; T158-G162 WeakPolarHBondContact O-CA 3.36Å; T158-G162 PolarHBondContact O-N 3.4Å |
| 159 | N | 94.3 | Very high | 94.6 | Very high | 112 Ų | 112 | 50.2 Ų | 50.2 | 60% | 0.599 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.5 | -34 | 179.5 | -71.8 | -11.5 | 0 | 0 | 0 | 112.6 | Q155 L156 W157 | Q155-N159 PolarHBondContact NE2-OD1 3.01Å; Q155-N159 VanDerWaalsContact O-CB 3.31Å; Q155-N159 WeakPolarHBondContact O-CB 3.4Å; Q155-N159 PolarHBondContact O-N 3.18Å; Q155-N159 PolarHBondContact O-ND2 3.29Å; Q155-N159 PolarHBondContact O-OD1 3.39Å; L156-N159 PolarHBondContact O-N 2.98Å; W157-N159 VanDerWaalsContact C-N 3.28Å; W157-N159 PolarHBondContact O-N 2.97Å |
| 160 | T | 93.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 47.9 Ų | 47.9 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -74.9 | -41.8 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | L63 L156 W157 T158 | L63-T160 HydrophobicContact CD1-CG2 4.01Å; L63-T160 HydrophobicContact CD2-CG2 4.06Å; L63-T160 VanDerWaalsContact CD2-OG1 3.32Å; L63-T160 WeakPolarHBondContact CD2-OG1 3.33Å; L63-T160 HydrophobicContact CG-CG2 4.33Å; L156-T160 PolarHBondContact O-N 3.19Å; L156-T160 VanDerWaalsContact O-N 3.08Å; L156-T160 PolarHBondContact O-OG1 3.3Å; L156-T160 VanDerWaalsContact O-OG1 3.12Å; W157-T160 PolarHBondContact O-N 2.97Å; W157-T160 VanDerWaalsContact O-N 3.08Å; T158-T160 VanDerWaalsContact C-N 3.31Å; T158-T160 PolarHBondContact O-N 3.47Å |
| 161 | Y | 90.6 | Very high | 95 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -89.5 | -12.5 | -178.3 | -69.1 | -70 | 0 | 0 | 0 | 114 | R60 L63 W157 N163 G164 E165 | R60-Y161 PolarHBondContact NH1-OH 3.25Å; R60-Y161 PolarHBondContact NH2-OH 3.48Å; L63-Y161 HydrophobicContact CD1-CD2 4.33Å; L63-Y161 HydrophobicContact CD1-CE2 3.49Å; L63-Y161 VanDerWaalsContact CD1-CE2 3.49Å; W157-Y161 AromaticContact CE3-CE2 3.95Å; W157-Y161 HydrophobicContact CE3-CE2 3.95Å; W157-Y161 VanDerWaalsContact O-CD2 3.27Å; W157-Y161 WeakPolarHBondContact O-CD2 3.35Å; W157-Y161 PolarHBondContact O-N 3.34Å; Y161-N163 PolarHBondContact O-N 2.94Å; Y161-N163 VanDerWaalsContact O-N 3.08Å; Y161-G164 WeakPolarHBondContact CB-O 3.46Å; Y161-E165 HydrophobicContact CD1-CG 4.08Å; Y161-E165 HydrophobicContact CD2-CG 3.64Å; Y161-E165 HydrophobicContact CE1-CG 4.25Å; Y161-E165 VanDerWaalsContact CE1-OE1 3.29Å; Y161-E165 WeakPolarHBondContact CE1-OE1 3.31Å; Y161-E165 HydrophobicContact CE2-CG 3.85Å; Y161-E165 VanDerWaalsContact CE2-OE1 3.31Å; Y161-E165 WeakPolarHBondContact CE2-OE1 3.23Å; Y161-E165 HydrophobicContact CG-CG 3.79Å; Y161-E165 VanDerWaalsContact CZ-CD 3.48Å; Y161-E165 PolarHBondContact OH-OE1 3.43Å |
| 162 | G | 90.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 45 Ų | 45 | 57% | 0.567 | 23% | 0.232 | S | C | * | . | S | Bend | trans | 81.1 | -45.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T158 | T158-G162 CarbonylContact O-C 3.44Å; T158-G162 VanDerWaalsContact O-CA 3.3Å; T158-G162 WeakPolarHBondContact O-CA 3.36Å; T158-G162 PolarHBondContact O-N 3.4Å |
| 163 | N | 91.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 16% | 0.16 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -143.5 | 38.3 | 179.2 | -165.8 | 38.3 | 0 | 0 | 0 | 114.8 | S140 C143 A148 Y161 | S140-N163 PolarHBondContact O-ND2 2.98Å; C143-N163 WeakPolarHBondContact CB-O 3.45Å; C143-N163 PolarHBondContact SG-O 3.41Å; A148-N163 PolarHBondContact N-OD1 3.2Å; Y161-N163 PolarHBondContact O-N 2.94Å; Y161-N163 VanDerWaalsContact O-N 3.08Å |
| 164 | G | 93.4 | Very high | 95 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | trans | 71.9 | -160.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | C143 C145 D146 Y161 | C143-G164 VanDerWaalsContact SG-C 3.54Å; C143-G164 PolarHBondContact SG-O 3.11Å; C145-G164 VanDerWaalsContact O-CA 3.28Å; C145-G164 WeakPolarHBondContact O-CA 3.33Å; D146-G164 VanDerWaalsContact O-CA 3.28Å; D146-G164 WeakPolarHBondContact O-CA 3.4Å; D146-G164 PolarHBondContact O-N 2.95Å; Y161-G164 WeakPolarHBondContact CB-O 3.46Å | ||
| 165 | E | 93.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -134.7 | 151.5 | -172.5 | -56.7 | -174.8 | 103 | 0 | 0 | 112 | R60 R65 E104 C143 T144 C145 W157 Y161 L167 | R60-E165 VanDerWaalsContact NH2-CD 3.31Å; R60-E165 IonicContact NH2-OE1 3.04Å; R60-E165 PolarHBondContact NH2-OE1 3.04Å; R60-E165 IonicContact NH2-OE2 3.1Å; R60-E165 PolarHBondContact NH2-OE2 3.22Å; R65-E165 IonicContact NH2-OE1 2.68Å; E104-E165 HydrophobicContact CG-CB 4.42Å; E104-E165 WeakPolarHBondContact CG-OE1 3.47Å; C143-E165 CarbonylContact C-O 3.54Å; C143-E165 WeakPolarHBondContact CA-O 3.2Å; T144-E165 PolarHBondContact N-O 3.35Å; C145-E165 PolarHBondContact N-O 2.91Å; C145-E165 PolarHBondContact O-N 3.45Å; W157-E165 VanDerWaalsContact CE3-OE2 3.29Å; W157-E165 VanDerWaalsContact CZ3-OE2 3.26Å; W157-E165 WeakPolarHBondContact CZ3-OE2 3.41Å; Y161-E165 HydrophobicContact CD1-CG 4.08Å; Y161-E165 HydrophobicContact CD2-CG 3.64Å; Y161-E165 HydrophobicContact CE1-CG 4.25Å; Y161-E165 VanDerWaalsContact CE1-OE1 3.29Å; Y161-E165 WeakPolarHBondContact CE1-OE1 3.31Å; Y161-E165 HydrophobicContact CE2-CG 3.85Å; Y161-E165 VanDerWaalsContact CE2-OE1 3.31Å; Y161-E165 WeakPolarHBondContact CE2-OE1 3.23Å; Y161-E165 HydrophobicContact CG-CG 3.79Å; Y161-E165 VanDerWaalsContact CZ-CD 3.48Å; Y161-E165 PolarHBondContact OH-OE1 3.43Å; E165-L167 HydrophobicContact CB-CD2 4.09Å; E165-L167 HydrophobicContact CB-CG 4.16Å |
| 166 | R | 96.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | trans | -94 | 104.6 | 171.9 | -173.6 | 165.7 | 68.5 | 96.1 | -9.9 | 109.4 | D121 E139 G142 Y169 | D121-R166 IonicContact OD1-NH1 3.17Å; D121-R166 IonicContact OD2-CZ 3.52Å; D121-R166 IonicContact OD2-NH1 3.87Å; D121-R166 PolarHBondContact OD2-NH1 3.37Å; D121-R166 IonicContact OD2-NH2 3.75Å; D121-R166 PolarHBondContact OD2-NH2 3.41Å; E139-R166 IonicContact OE1-CZ 2.83Å; E139-R166 IonicContact OE1-NE 3.76Å; E139-R166 IonicContact OE1-NH2 3.83Å; E139-R166 PolarHBondContact OE1-NH2 2.91Å; E139-R166 IonicContact OE2-CZ 3.38Å; E139-R166 IonicContact OE2-NE 3.58Å; E139-R166 PolarHBondContact OE2-NE 2.94Å; E139-R166 IonicContact OE2-NH2 3.53Å; E139-R166 PolarHBondContact OE2-NH2 2.65Å; E139-R166 VanDerWaalsContact OE2-NH2 3.17Å; G142-R166 VanDerWaalsContact O-CD 3.28Å; G142-R166 WeakPolarHBondContact O-CD 3.31Å; G142-R166 VanDerWaalsContact O-CG 3.27Å; G142-R166 WeakPolarHBondContact O-CG 3.43Å; R166-Y169 PolarHBondContact O-OH 3.47Å | ||
| 167 | L | 97.5 | Very high | 92.7 | Very high | 13 Ų | 13 | 26.6 Ų | 26.6 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | trans | -115.4 | -17.9 | -177.8 | -56.3 | -174.9 | 0 | 0 | 0 | 112.6 | F101 E104 T144 C145 E165 Y169 | F101-L167 PolarHBondContact N-O 3.44Å; E104-L167 HydrophobicContact CG-CD2 3.96Å; T144-L167 PolarHBondContact OG1-N 3.29Å; C145-L167 HydrophobicContact CB-CD1 4.42Å; C145-L167 WeakPolarHBondContact SG-CD1 3.33Å; E165-L167 HydrophobicContact CB-CD2 4.09Å; E165-L167 HydrophobicContact CB-CG 4.16Å; L167-Y169 VanDerWaalsContact C-CE2 3.45Å; L167-Y169 WeakPolarHBondContact O-CD2 3.36Å; L167-Y169 WeakPolarHBondContact O-CE2 3.31Å | ||
| 168 | D | 98.4 | Very high | 91.6 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 15% | 0.15 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.7 | 179.6 | -56.6 | -93.6 | 0 | 0 | 0 | 110.6 | G99 D100 T144 H214 V217 | G99-D168 WeakPolarHBondContact O-CA 3.5Å; D100-D168 WeakPolarHBondContact CB-OD1 3.29Å; T144-D168 WeakPolarHBondContact CB-OD2 3.3Å; T144-D168 HydrophobicContact CG2-CB 3.87Å; T144-D168 PolarHBondContact OG1-N 3.07Å; T144-D168 VanDerWaalsContact OG1-N 3.13Å; T144-D168 PolarHBondContact OG1-OD2 3.04Å; D168-H214 IonicContact OD1-ND1 3.83Å; D168-H214 IonicContact OD2-CE1 2.64Å; D168-H214 IonicContact OD2-CG 3.69Å; D168-H214 IonicContact OD2-ND1 2.92Å; D168-H214 PolarHBondContact OD2-ND1 2.97Å; D168-V217 HydrophobicContact CB-CG2 3.88Å |
| 169 | Y | 98.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.7 | -173.2 | -61 | -98.9 | 0 | 0 | 0 | 112 | T98 G99 F101 L103 E104 S105 I110 R166 L167 F171 | T98-Y169 VanDerWaalsContact CA-O 3.26Å; T98-Y169 WeakPolarHBondContact CA-O 3.45Å; G99-Y169 PolarHBondContact N-O 2.99Å; G99-Y169 PolarHBondContact O-N 3.19Å; G99-Y169 VanDerWaalsContact O-N 3.12Å; F101-Y169 HydrophobicContact CB-CD2 3.88Å; F101-Y169 HydrophobicContact CB-CE2 3.96Å; F101-Y169 AromaticContact CD2-CD2 3.67Å; F101-Y169 HydrophobicContact CD2-CD2 3.67Å; F101-Y169 HydrophobicContact CD2-CG 4.29Å; F101-Y169 HydrophobicContact CE2-CD2 4.49Å; F101-Y169 AromaticContact CG-CD2 3.95Å; F101-Y169 HydrophobicContact CG-CD2 3.95Å; F101-Y169 HydrophobicContact CG-CE2 4.46Å; L103-Y169 VanDerWaalsContact O-CE2 3.24Å; L103-Y169 WeakPolarHBondContact O-CE2 3.41Å; L103-Y169 PolarHBondContact O-OH 3.33Å; E104-Y169 WeakPolarHBondContact CA-OH 3.45Å; S105-Y169 VanDerWaalsContact CA-OH 3.24Å; S105-Y169 WeakPolarHBondContact CA-OH 3.42Å; S105-Y169 PolarHBondContact N-OH 3.37Å; I110-Y169 HydrophobicContact CD1-CE2 4.35Å; R166-Y169 PolarHBondContact O-OH 3.47Å; L167-Y169 VanDerWaalsContact C-CE2 3.45Å; L167-Y169 WeakPolarHBondContact O-CD2 3.36Å; L167-Y169 WeakPolarHBondContact O-CE2 3.31Å; Y169-F171 AromaticContact CD1-CE1 3.96Å; Y169-F171 HydrophobicContact CD1-CE1 3.96Å; Y169-F171 AromaticContact CD1-CE2 3.78Å; Y169-F171 HydrophobicContact CD1-CE2 3.78Å; Y169-F171 AromaticContact CD1-CZ 3.29Å; Y169-F171 HydrophobicContact CD1-CZ 3.29Å; Y169-F171 HydrophobicContact CD2-CE2 4.18Å; Y169-F171 HydrophobicContact CD2-CZ 4.4Å; Y169-F171 AromaticContact CE1-CZ 3.95Å; Y169-F171 HydrophobicContact CE1-CZ 3.95Å; Y169-F171 HydrophobicContact CG-CD2 4.37Å; Y169-F171 HydrophobicContact CG-CE1 4.48Å; Y169-F171 AromaticContact CG-CE2 3.5Å; Y169-F171 HydrophobicContact CG-CE2 3.5Å; Y169-F171 AromaticContact CG-CZ 3.56Å; Y169-F171 HydrophobicContact CG-CZ 3.56Å |
| 170 | I | 98.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 25.8 Ų | 25.8 | 9% | 0.087 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 96.9 | 159.5 | -58.6 | 178.9 | 0 | 0 | 0 | 106.9 | I96 T98 A122 V217 A219 F221 | I96-I170 HydrophobicContact CG2-CG2 3.99Å; T98-I170 HydrophobicContact CG2-CB 4.43Å; T98-I170 HydrophobicContact CG2-CG1 4.06Å; T98-I170 HydrophobicContact CG2-CG2 4.18Å; A122-I170 HydrophobicContact CB-CB 3.92Å; A122-I170 HydrophobicContact CB-CG2 4.03Å; A122-I170 WeakPolarHBondContact CB-O 3.44Å; A122-I170 PolarHBondContact N-O 2.94Å; I170-V217 HydrophobicContact CD1-CB 4.26Å; I170-V217 HydrophobicContact CD1-CG1 3.82Å; I170-V217 HydrophobicContact CG1-CB 4.31Å; I170-V217 HydrophobicContact CG1-CG1 3.93Å; I170-A219 HydrophobicContact CD1-CB 3.85Å; I170-A219 HydrophobicContact CG2-CB 4.49Å; I170-F221 HydrophobicContact CG2-CE2 4.16Å; I170-F221 HydrophobicContact CG2-CZ 3.79Å |
| 171 | F | 98.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 147 | 170.1 | -64.4 | -67.6 | 0 | 0 | 0 | 110.4 | I96 I97 F101 I110 F113 L119 S120 D121 Y169 | I96-F171 CarbonylContact C-O 3.56Å; I96-F171 WeakPolarHBondContact CA-O 3.4Å; I97-F171 HydrophobicContact CB-CB 4.27Å; I97-F171 PolarHBondContact N-O 2.94Å; I97-F171 PolarHBondContact O-N 2.91Å; F101-F171 HydrophobicContact CD1-CE2 4.45Å; F101-F171 HydrophobicContact CD2-CE2 4.34Å; F101-F171 HydrophobicContact CE1-CD2 4.35Å; F101-F171 HydrophobicContact CE1-CE2 4.05Å; F101-F171 AromaticContact CE2-CD2 3.99Å; F101-F171 HydrophobicContact CE2-CD2 3.99Å; F101-F171 AromaticContact CE2-CE2 3.93Å; F101-F171 HydrophobicContact CE2-CE2 3.93Å; F101-F171 AromaticContact CZ-CD2 3.73Å; F101-F171 HydrophobicContact CZ-CD2 3.73Å; F101-F171 AromaticContact CZ-CE2 3.78Å; F101-F171 HydrophobicContact CZ-CE2 3.78Å; I110-F171 HydrophobicContact CD1-CZ 4.49Å; I110-F171 HydrophobicContact CG2-CZ 4.05Å; F113-F171 HydrophobicContact CD1-CD2 4.41Å; F113-F171 HydrophobicContact CD1-CE2 4.24Å; F113-F171 AromaticContact CE1-CD2 3.79Å; F113-F171 HydrophobicContact CE1-CD2 3.79Å; F113-F171 HydrophobicContact CE1-CE2 4.01Å; F113-F171 HydrophobicContact CE1-CG 4.37Å; L119-F171 HydrophobicContact CB-CB 4.14Å; L119-F171 HydrophobicContact CB-CD1 4.33Å; L119-F171 HydrophobicContact CD1-CB 3.99Å; L119-F171 HydrophobicContact CD1-CG 4.3Å; L119-F171 HydrophobicContact CD2-CB 4.46Å; L119-F171 HydrophobicContact CG-CB 4.42Å; S120-F171 CarbonylContact O-C 3.54Å; S120-F171 VanDerWaalsContact O-CA 3.27Å; S120-F171 WeakPolarHBondContact O-CA 3.47Å; D121-F171 HydrophobicContact CB-CD1 4.15Å; D121-F171 HydrophobicContact CB-CE1 3.96Å; Y169-F171 AromaticContact CD1-CE1 3.96Å; Y169-F171 HydrophobicContact CD1-CE1 3.96Å; Y169-F171 AromaticContact CD1-CE2 3.78Å; Y169-F171 HydrophobicContact CD1-CE2 3.78Å; Y169-F171 AromaticContact CD1-CZ 3.29Å; Y169-F171 HydrophobicContact CD1-CZ 3.29Å; Y169-F171 HydrophobicContact CD2-CE2 4.18Å; Y169-F171 HydrophobicContact CD2-CZ 4.4Å; Y169-F171 AromaticContact CE1-CZ 3.95Å; Y169-F171 HydrophobicContact CE1-CZ 3.95Å; Y169-F171 HydrophobicContact CG-CD2 4.37Å; Y169-F171 HydrophobicContact CG-CE1 4.48Å; Y169-F171 AromaticContact CG-CE2 3.5Å; Y169-F171 HydrophobicContact CG-CE2 3.5Å; Y169-F171 AromaticContact CG-CZ 3.56Å; Y169-F171 HydrophobicContact CG-CZ 3.56Å |
| 172 | Y | 97.4 | Very high | 86.5 | Confident | 13 Ų | 13 | 21.8 Ų | 21.8 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 159.2 | 179.6 | 72.6 | -79.8 | 0 | 0 | 0 | 112.2 | I95 S120 A122 N125 L190 C192 F221 | I95-Y172 VanDerWaalsContact O-CA 3.31Å; I95-Y172 WeakPolarHBondContact O-CA 3.32Å; S120-Y172 WeakPolarHBondContact CB-O 3.45Å; S120-Y172 PolarHBondContact N-O 3.16Å; S120-Y172 WeakPolarHBondContact O-CD1 3.24Å; S120-Y172 PolarHBondContact O-N 2.94Å; A122-Y172 HydrophobicContact CB-CD1 4.14Å; A122-Y172 HydrophobicContact CB-CE1 4.16Å; N125-Y172 PolarHBondContact ND2-OH 2.89Å; Y172-L190 HydrophobicContact CD2-CD2 3.69Å; Y172-L190 HydrophobicContact CD2-CG 4.01Å; Y172-L190 HydrophobicContact CG-CD2 4.2Å; Y172-C192 HydrophobicContact CE1-CB 3.68Å; Y172-C192 HydrophobicContact CE2-CB 4.29Å; Y172-C192 WeakPolarHBondContact OH-CB 3.22Å; Y172-F221 AromaticContact CD1-CE1 3.61Å; Y172-F221 HydrophobicContact CD1-CE1 3.61Å; Y172-F221 HydrophobicContact CD1-CZ 4.14Å; Y172-F221 HydrophobicContact CD2-CD1 4.29Å; Y172-F221 AromaticContact CD2-CE1 3.85Å; Y172-F221 HydrophobicContact CD2-CE1 3.85Å; Y172-F221 AromaticContact CE1-CE1 3.99Å; Y172-F221 HydrophobicContact CE1-CE1 3.99Å; Y172-F221 HydrophobicContact CE2-CE1 4.21Å; Y172-F221 HydrophobicContact CG-CD1 4.38Å; Y172-F221 AromaticContact CG-CE1 3.53Å; Y172-F221 HydrophobicContact CG-CE1 3.53Å; Y172-F221 HydrophobicContact CG-CZ 4.22Å |
| 173 | R | 93.6 | Very high | 85.4 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 8% | 0.075 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 162.3 | 162.9 | 65.3 | 177.9 | -179.8 | 89.6 | 4 | 111.6 | S89 I95 L117 L119 P176 | S89-R173 PolarHBondContact OG-NH2 3.23Å; S89-R173 VanDerWaalsContact OG-NH2 3.08Å; I95-R173 HydrophobicContact CD1-CG 3.74Å; I95-R173 HydrophobicContact CG1-CG 3.44Å; I95-R173 VanDerWaalsContact CG1-CG 3.44Å; I95-R173 PolarHBondContact N-O 2.88Å; I95-R173 PolarHBondContact O-N 3.32Å; I95-R173 VanDerWaalsContact O-N 3.08Å; L117-R173 WeakPolarHBondContact O-CD 3.35Å; L117-R173 PolarHBondContact O-NE 3.28Å; L119-R173 HydrophobicContact CD2-CG 4.11Å; R173-P176 PolarHBondContact NH1-O 3.25Å |
| 174 | S | 92.6 | Very high | 84.6 | Confident | 35 Ų | 35 | 30.2 Ų | 30.2 | 25% | 0.245 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 146.9 | 167 | -54.3 | 0 | 0 | 0 | 0 | 110 | L190 | S174-L190 PolarHBondContact OG-N 3.47Å |
| 175 | G | 83.4 | Confident | 84 | Confident | 6 Ų | 6 | 30.9 Ų | 30.9 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -74.3 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D93 S186 | D93-G175 WeakPolarHBondContact O-CA 3.15Å; D93-G175 PolarHBondContact O-N 2.98Å; G175-S186 WeakPolarHBondContact O-CB 3.34Å; G175-S186 PolarHBondContact O-OG 3.45Å |
| 176 | P | 79.8 | Confident | 83.5 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 10% | 0.104 | 15% | 0.154 | C | C | . | . | S | Bend | cis | -83.5 | -173 | 1.1 | 33.9 | -33.3 | 0 | 0 | 0 | 112.7 | R173 I184 | R173-P176 PolarHBondContact NH1-O 3.25Å; P176-I184 HydrophobicContact CB-CB 4.26Å; P176-I184 HydrophobicContact CB-CG2 4.02Å; P176-I184 HydrophobicContact CG-CB 3.89Å; P176-I184 HydrophobicContact CG-CG2 3.89Å; P176-I184 WeakPolarHBondContact CG-O 3.04Å |
| 177 | S | 74.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -52.6 | 150 | 176.6 | -180 | 0 | 0 | 0 | 0 | 112.4 | R86 S89 T90 I179 D180 S181 | R86-S177 PolarHBondContact O-OG 3.34Å; S89-S177 PolarHBondContact OG-OG 3.22Å; T90-S177 VanDerWaalsContact OG1-CB 3.27Å; T90-S177 WeakPolarHBondContact OG1-CB 3.3Å; S177-I179 PolarHBondContact O-N 2.76Å; S177-I179 PolarHBondContact OG-N 2.86Å; S177-D180 CarbonylContact O-C 3.57Å; S177-D180 PolarHBondContact O-N 3.05Å; S177-D180 VanDerWaalsContact O-N 3.13Å; S177-S181 WeakPolarHBondContact O-CA 3.46Å; S177-S181 WeakPolarHBondContact O-CB 3.48Å; S177-S181 PolarHBondContact O-N 3.35Å | ||
| 178 | I | 72.1 | Confident | 82.9 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.082 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -30.8 | 174.8 | -59.8 | 164.7 | 0 | 0 | 0 | 111.1 | L117 K118 D180 S181 | L117-I178 HydrophobicContact CB-CD1 4.25Å; L117-I178 HydrophobicContact CD2-CD1 3.97Å; L117-I178 VanDerWaalsContact O-CD1 3.27Å; L117-I178 WeakPolarHBondContact O-CD1 3.41Å; K118-I178 HydrophobicContact CG-CD1 4.46Å; I178-D180 VanDerWaalsContact C-N 3.31Å; I178-S181 PolarHBondContact O-OG 2.73Å; I178-S181 VanDerWaalsContact O-OG 3.12Å |
| 179 | I | 71.5 | Confident | 82.7 | Confident | 75 Ų | 75 | 40.7 Ų | 40.7 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -42.7 | 175.5 | -62.4 | 178 | 0 | 0 | 0 | 109.9 | R86 M87 S177 | R86-I179 HydrophobicContact CG-CD1 3.88Å; R86-I179 HydrophobicContact CG-CG1 3.88Å; R86-I179 WeakPolarHBondContact O-CD1 3.17Å; M87-I179 HydrophobicContact SD-CD1 3.95Å; S177-I179 PolarHBondContact O-N 2.76Å; S177-I179 PolarHBondContact OG-N 2.86Å |
| 180 | D | 65.5 | Low | 82.5 | Confident | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.182 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5.8 | -172.2 | -55.4 | -49.4 | 0 | 0 | 0 | 113.5 | T90 S177 I178 F182 Y183 I184 | T90-D180 VanDerWaalsContact CB-OD2 3.31Å; T90-D180 WeakPolarHBondContact CB-OD2 3.27Å; T90-D180 WeakPolarHBondContact CG2-OD2 3.14Å; T90-D180 PolarHBondContact OG1-OD2 3.07Å; S177-D180 CarbonylContact O-C 3.57Å; S177-D180 PolarHBondContact O-N 3.05Å; S177-D180 VanDerWaalsContact O-N 3.13Å; I178-D180 VanDerWaalsContact C-N 3.31Å; D180-F182 PolarHBondContact O-N 2.83Å; D180-Y183 PolarHBondContact O-N 2.76Å; D180-I184 HydrophobicContact CB-CB 4.37Å; D180-I184 HydrophobicContact CB-CD1 3.68Å; D180-I184 HydrophobicContact CB-CG1 3.99Å; D180-I184 PolarHBondContact O-N 2.79Å |
| 181 | S | 64.2 | Low | 82.3 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.5 | -169.3 | 65.2 | 0 | 0 | 0 | 0 | 113 | S177 I178 P232 | S177-S181 WeakPolarHBondContact O-CA 3.46Å; S177-S181 WeakPolarHBondContact O-CB 3.48Å; S177-S181 PolarHBondContact O-N 3.35Å; I178-S181 PolarHBondContact O-OG 2.73Å; I178-S181 VanDerWaalsContact O-OG 3.12Å; S181-P232 WeakPolarHBondContact O-CD 3.35Å; S181-P232 WeakPolarHBondContact O-CG 3.39Å |
| 182 | F | 65.7 | Low | 82.1 | Confident | 63 Ų | 63 | 43.3 Ų | 43.3 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -33.9 | 174.5 | -64.5 | -80.2 | 0 | 0 | 0 | 113.6 | D180 F347 T348 I350 | D180-F182 PolarHBondContact O-N 2.83Å; F182-F347 HydrophobicContact CE1-CB 4.27Å; F182-F347 WeakPolarHBondContact CE1-O 3.37Å; F182-F347 WeakPolarHBondContact CZ-O 3.19Å; F182-T348 HydrophobicContact CE2-CG2 4.39Å; F182-I350 HydrophobicContact CE1-CB 4.22Å; F182-I350 HydrophobicContact CE1-CD1 3.7Å; F182-I350 HydrophobicContact CE1-CG1 4.4Å; F182-I350 HydrophobicContact CZ-CB 4.15Å; F182-I350 HydrophobicContact CZ-CD1 4.4Å |
| 183 | Y | 67.8 | Low | 81.9 | Confident | 194 Ų | 194 | 45.5 Ų | 45.5 | 76% | 0.761 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -31.7 | -173.3 | -58.3 | -74.2 | 0 | 0 | 0 | 112 | D180 | D180-Y183 PolarHBondContact O-N 2.76Š|
| 184 | I | 74.4 | Confident | 81.9 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 35% | 0.354 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -111.6 | 119 | -174.1 | -52.6 | -176.1 | 0 | 0 | 0 | 107.8 | P176 D180 Y187 | P176-I184 HydrophobicContact CB-CB 4.26Å; P176-I184 HydrophobicContact CB-CG2 4.02Å; P176-I184 HydrophobicContact CG-CB 3.89Å; P176-I184 HydrophobicContact CG-CG2 3.89Å; P176-I184 WeakPolarHBondContact CG-O 3.04Å; D180-I184 HydrophobicContact CB-CB 4.37Å; D180-I184 HydrophobicContact CB-CD1 3.68Å; D180-I184 HydrophobicContact CB-CG1 3.99Å; D180-I184 PolarHBondContact O-N 2.79Å; I184-Y187 HydrophobicContact CG2-CE2 4.41Å |
| 185 | P | 80.2 | Confident | 82 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | trans | -73.4 | 158.3 | 174.1 | 32.5 | -34.6 | 0 | 0 | 0 | 110.7 | Y187 P229 K231 | P185-Y187 HydrophobicContact CG-CE2 3.74Å; P185-Y187 WeakPolarHBondContact O-CD2 3.16Å; P185-Y187 VanDerWaalsContact O-CE2 3.28Å; P185-Y187 WeakPolarHBondContact O-CE2 3.47Å; P185-P229 HydrophobicContact CB-CB 3.5Å; P185-P229 HydrophobicContact CG-CB 3.61Å; P185-K231 HydrophobicContact CB-CG 4.01Å | ||
| 186 | S | 84.3 | Confident | 82.5 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 12% | 0.119 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 124.9 | 171.4 | -171 | 0 | 0 | 0 | 0 | 111.2 | G175 A188 P229 V230 | G175-S186 WeakPolarHBondContact O-CB 3.34Å; G175-S186 PolarHBondContact O-OG 3.45Å; S186-A188 PolarHBondContact OG-O 3.09Å; S186-P229 CarbonylContact O-C 3.59Å; S186-P229 VanDerWaalsContact O-CA 3.23Å; S186-P229 WeakPolarHBondContact O-CA 3.44Å; S186-V230 WeakPolarHBondContact CB-O 3.43Å; S186-V230 PolarHBondContact N-O 3.16Å; S186-V230 PolarHBondContact O-N 3.06Å |
| 187 | Y | 88.3 | Confident | 83.2 | Confident | 128 Ų | 128 | 49.5 Ų | 49.5 | 50% | 0.502 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -7.7 | 176.9 | -66.2 | -88.6 | 0 | 0 | 0 | 113 | I184 P185 R225 L226 P229 | I184-Y187 HydrophobicContact CG2-CE2 4.41Å; P185-Y187 HydrophobicContact CG-CE2 3.74Å; P185-Y187 WeakPolarHBondContact O-CD2 3.16Å; P185-Y187 VanDerWaalsContact O-CE2 3.28Å; P185-Y187 WeakPolarHBondContact O-CE2 3.47Å; Y187-R225 WeakPolarHBondContact O-CA 3.13Å; Y187-L226 PolarHBondContact O-N 3.07Å; Y187-P229 HydrophobicContact CD1-CB 4.1Å; Y187-P229 HydrophobicContact CD1-CG 3.71Å; Y187-P229 HydrophobicContact CE1-CB 3.95Å; Y187-P229 HydrophobicContact CE1-CG 3.43Å; Y187-P229 VanDerWaalsContact CE1-CG 3.43Å |
| 188 | A | 92.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F48 D93 S186 I223 T224 | F48-A188 HydrophobicContact CD1-CB 4.12Å; F48-A188 HydrophobicContact CE1-CB 4Å; D93-A188 HydrophobicContact CB-CB 3.82Å; S186-A188 PolarHBondContact OG-O 3.09Å; A188-I223 HydrophobicContact CB-CD1 4.31Å; A188-I223 HydrophobicContact CB-CG1 4.23Å; A188-T224 CarbonylContact C-O 3.57Å; A188-T224 VanDerWaalsContact CA-O 3.28Å; A188-T224 WeakPolarHBondContact CA-O 3.4Å |
| 189 | K | 93.2 | Very high | 85.3 | Confident | 118 Ų | 118 | 57.4 Ų | 57.4 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 121.8 | 174.8 | -175.3 | 176.8 | -178.1 | 174.4 | 0 | 109.8 | V191 I223 T224 L226 | K189-V191 HydrophobicContact CD-CG2 4.28Å; K189-V191 HydrophobicContact CG-CG2 4.04Å; K189-I223 WeakPolarHBondContact O-CA 3.25Å; K189-T224 PolarHBondContact N-O 2.76Å; K189-T224 PolarHBondContact O-N 2.7Å; K189-L226 HydrophobicContact CB-CD1 4.3Å; K189-L226 HydrophobicContact CB-CD2 3.93Å; K189-L226 HydrophobicContact CB-CG 4.3Å |
| 190 | L | 94.8 | Very high | 86.4 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127 | 172.5 | -173.4 | 70.3 | 0 | 0 | 0 | 109.8 | A94 I96 Y172 S174 F221 T222 I223 | A94-L190 HydrophobicContact CB-CB 4.06Å; A94-L190 HydrophobicContact CB-CD2 3.87Å; A94-L190 HydrophobicContact CB-CG 4.37Å; I96-L190 HydrophobicContact CD1-CD2 4.36Å; I96-L190 HydrophobicContact CG1-CD2 4.06Å; Y172-L190 HydrophobicContact CD2-CD2 3.69Å; Y172-L190 HydrophobicContact CD2-CG 4.01Å; Y172-L190 HydrophobicContact CG-CD2 4.2Å; S174-L190 PolarHBondContact OG-N 3.47Å; L190-F221 HydrophobicContact CD1-CB 3.7Å; L190-F221 HydrophobicContact CD1-CD1 4.1Å; L190-F221 HydrophobicContact CD1-CG 4.12Å; L190-F221 HydrophobicContact CD2-CD1 4.21Å; L190-F221 HydrophobicContact CG-CD1 4.03Å; L190-T222 WeakPolarHBondContact CA-O 3.4Å; L190-I223 HydrophobicContact CD1-CB 3.96Å; L190-I223 HydrophobicContact CD1-CG1 4.44Å |
| 191 | V | 93.8 | Very high | 87.8 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 35% | 0.352 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132 | 178.2 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | K189 F221 T222 | K189-V191 HydrophobicContact CD-CG2 4.28Å; K189-V191 HydrophobicContact CG-CG2 4.04Å; V191-F221 CarbonylContact O-C 3.54Å; V191-F221 VanDerWaalsContact O-CA 3.25Å; V191-F221 WeakPolarHBondContact O-CA 3.42Å; V191-T222 PolarHBondContact N-O 2.95Å; V191-T222 PolarHBondContact O-N 3.33Å |
| 192 | C | 94.7 | Very high | 89.3 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 3% | 0.034 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.3 | 168.2 | -174.1 | 0 | 0 | 0 | 0 | 109 | Y172 S194 F221 | Y172-C192 HydrophobicContact CE1-CB 3.68Å; Y172-C192 HydrophobicContact CE2-CB 4.29Å; Y172-C192 WeakPolarHBondContact OH-CB 3.22Å; C192-S194 PolarHBondContact SG-O 3.43Å; C192-F221 HydrophobicContact CB-CD1 4.02Å; C192-F221 HydrophobicContact CB-CE1 3.73Å |
| 193 | N | 93.1 | Very high | 90.7 | Very high | 59 Ų | 59 | 66.6 Ų | 66.6 | 32% | 0.316 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -41 | 176.8 | -56.7 | -32.3 | 0 | 0 | 0 | 110.9 | S220 T222 | N193-S220 WeakPolarHBondContact CB-O 3.2Å; N193-S220 PolarHBondContact N-O 2.86Å; N193-S220 PolarHBondContact ND2-OG 2.91Å; N193-T222 VanDerWaalsContact CG-OG1 3.26Å; N193-T222 PolarHBondContact ND2-OG1 3.15Å; N193-T222 PolarHBondContact OD1-OG1 2.77Å |
| 194 | S | 93.2 | Very high | 92 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 153.9 | -177.4 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | C192 W196 A219 S220 | C192-S194 PolarHBondContact SG-O 3.43Å; S194-W196 WeakPolarHBondContact OG-CZ3 3.46Å; S194-A219 CarbonylContact O-C 3.59Å; S194-A219 VanDerWaalsContact O-CA 3.29Å; S194-A219 WeakPolarHBondContact O-CA 3.28Å; S194-S220 PolarHBondContact O-N 2.76Å |
| 195 | C | 94.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 139.8 | 174.8 | -169.5 | 0 | 0 | 0 | 0 | 109 | A122 W123 N126 A218 A219 | A122-C195 HydrophobicContact CB-CB 4.35Å; A122-C195 WeakPolarHBondContact O-CB 3.44Å; W123-C195 HydrophobicContact CE3-CB 4.42Å; N126-C195 HydrophobicContact CB-CB 4.33Å; N126-C195 PolarHBondContact ND2-O 2.89Å; C195-A218 CarbonylContact C-O 3.55Å; C195-A218 VanDerWaalsContact CA-O 3.27Å; C195-A218 WeakPolarHBondContact CA-O 3.21Å; C195-A218 PolarHBondContact SG-O 2.83Å; C195-A218 VanDerWaalsContact SG-O 3.36Å; C195-A219 HydrophobicContact CB-CB 4.35Å |
| 196 | W | 94.3 | Very high | 93.6 | Very high | 108 Ų | 108 | 64.8 Ų | 64.8 | 41% | 0.409 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160 | -178.5 | 64.1 | 94.3 | 0 | 0 | 0 | 111.2 | S194 D198 A218 | S194-W196 WeakPolarHBondContact OG-CZ3 3.46Å; W196-D198 PolarHBondContact NE1-OD2 3.37Å; W196-A218 HydrophobicContact CD2-CB 4.04Å; W196-A218 VanDerWaalsContact CE2-CB 3.44Å; W196-A218 HydrophobicContact CG-CB 4.46Å; W196-A218 HydrophobicContact CH2-CB 4.27Å; W196-A218 HydrophobicContact CZ2-CB 3.59Å; W196-A218 PolarHBondContact N-O 2.88Å; W196-A218 PolarHBondContact O-N 3.03Å |
| 197 | L | 95 | Very high | 94 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.1 | 168.9 | -62.1 | -178 | 0 | 0 | 0 | 110.1 | W123 E141 T144 R200 E215 G216 V217 | W123-L197 HydrophobicContact CH2-CD2 4.5Å; W123-L197 HydrophobicContact CH2-CG 4.02Å; W123-L197 HydrophobicContact CZ3-CD2 4.1Å; W123-L197 HydrophobicContact CZ3-CG 3.97Å; E141-L197 WeakPolarHBondContact O-CD1 3.46Å; T144-L197 HydrophobicContact CG2-CD2 3.88Å; L197-R200 HydrophobicContact CB-CG 4.45Å; L197-E215 HydrophobicContact CD1-CB 4.5Å; L197-E215 HydrophobicContact CD2-CB 4.41Å; L197-G216 CarbonylContact C-O 3.38Å; L197-G216 WeakPolarHBondContact CA-O 3.29Å; L197-V217 HydrophobicContact CD2-CG2 4.22Å |
| 198 | D | 95.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 172.1 | -176.1 | -150.3 | -22.2 | 0 | 0 | 0 | 110.4 | W196 R200 G216 A218 | W196-D198 PolarHBondContact NE1-OD2 3.37Å; D198-R200 VanDerWaalsContact C-N 3.26Å; D198-R200 PolarHBondContact O-N 3.04Å; D198-G216 PolarHBondContact N-O 3.33Å; D198-G216 WeakPolarHBondContact O-CA 3.27Å; D198-G216 PolarHBondContact O-N 3.03Å; D198-A218 HydrophobicContact CB-CB 3.87Å |
| 199 | M | 94.9 | Very high | 94.2 | Very high | 108 Ų | 108 | 71 Ų | 71 | 53% | 0.532 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 50.9 | 44.7 | 178.7 | -59.7 | -173.5 | 65.1 | 0 | 0 | 113.2 | Y211 | M199-Y211 VanDerWaalsContact C-CD2 3.42Å; M199-Y211 HydrophobicContact CB-CD2 4.04Å; M199-Y211 HydrophobicContact CB-CG 4.32Å; M199-Y211 HydrophobicContact CE-CD1 4.21Å; M199-Y211 HydrophobicContact CE-CG 4.32Å; M199-Y211 WeakPolarHBondContact O-CB 3.16Å; M199-Y211 VanDerWaalsContact O-CD2 3.3Å; M199-Y211 WeakPolarHBondContact O-CD2 3.47Å |
| 200 | R | 94 | Very high | 94.3 | Very high | 120 Ų | 120 | 65.6 Ų | 65.6 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | trans | -79.3 | -107.5 | -178.1 | -51.6 | -173.4 | -80.3 | -176.1 | -7.1 | 113.7 | L197 D198 H210 Y211 E215 | L197-R200 HydrophobicContact CB-CG 4.45Å; D198-R200 VanDerWaalsContact C-N 3.26Å; D198-R200 PolarHBondContact O-N 3.04Å; R200-H210 WeakPolarHBondContact O-CA 2.69Å; R200-Y211 WeakPolarHBondContact O-CD2 3.09Å; R200-Y211 PolarHBondContact O-N 3.33Å; R200-E215 WeakPolarHBondContact CA-OE2 3.29Å; R200-E215 WeakPolarHBondContact CB-OE2 3.2Å; R200-E215 WeakPolarHBondContact CG-OE2 3.41Å | ||
| 201 | K | 95.4 | Very high | 94.4 | Very high | 111 Ų | 111 | 70.8 Ų | 70.8 | 48% | 0.483 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 138.2 | 167 | -70.3 | 178.4 | -177.2 | -179 | 0 | 109.9 | P203 L209 H210 | K201-P203 VanDerWaalsContact O-CD 3.26Å; K201-P203 WeakPolarHBondContact O-CD 3.41Å; K201-L209 CarbonylContact C-O 3.54Å; K201-L209 WeakPolarHBondContact CA-O 3.46Å; K201-H210 WeakPolarHBondContact CE-NE2 3.46Å; K201-H210 VanDerWaalsContact CG-CD2 3.46Å; K201-H210 WeakPolarHBondContact CG-CD2 3.37Å; K201-H210 WeakPolarHBondContact CG-NE2 3.47Å |
| 202 | V | 96.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 70.6 Ų | 70.6 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 116.8 | 169.4 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | G204 D205 L209 Y211 | V202-G204 PolarHBondContact O-N 3.05Å; V202-D205 HydrophobicContact CB-CB 3.97Å; V202-D205 HydrophobicContact CG1-CB 4.13Å; V202-D205 PolarHBondContact O-N 2.78Å; V202-L209 HydrophobicContact CB-CB 4.44Å; V202-L209 HydrophobicContact CG2-CB 4.3Å; V202-L209 HydrophobicContact CG2-CD2 4.14Å; V202-L209 HydrophobicContact CG2-CG 4.22Å; V202-L209 PolarHBondContact N-O 3.43Å; V202-Y211 HydrophobicContact CB-CE2 4.38Å; V202-Y211 HydrophobicContact CG2-CD1 3.96Å; V202-Y211 HydrophobicContact CG2-CD2 3.96Å; V202-Y211 HydrophobicContact CG2-CE1 4Å; V202-Y211 HydrophobicContact CG2-CE2 4.02Å; V202-Y211 HydrophobicContact CG2-CG 3.95Å |
| 203 | P | 95.1 | Very high | 94.6 | Very high | 105 Ų | 105 | 74.1 Ų | 74.1 | 68% | 0.682 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 127.7 | -176.3 | -24.5 | 35.2 | 0 | 0 | 0 | 111.6 | K201 D205 Y211 | K201-P203 VanDerWaalsContact O-CD 3.26Å; K201-P203 WeakPolarHBondContact O-CD 3.41Å; P203-D205 VanDerWaalsContact C-N 3.28Å; P203-D205 PolarHBondContact O-N 3.13Å; P203-Y211 VanDerWaalsContact CD-OH 3.29Å; P203-Y211 WeakPolarHBondContact CD-OH 3.34Å |
| 204 | G | 94.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 73.2 Ų | 73.2 | 88% | 0.876 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 3.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V202 | V202-G204 PolarHBondContact O-N 3.05Š|
| 205 | D | 94.5 | Very high | 95 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | trans | -69 | 127 | 173.7 | -178.2 | -89.6 | 0 | 0 | 0 | 111 | V202 P203 H207 G208 L209 | V202-D205 HydrophobicContact CB-CB 3.97Å; V202-D205 HydrophobicContact CG1-CB 4.13Å; V202-D205 PolarHBondContact O-N 2.78Å; P203-D205 VanDerWaalsContact C-N 3.28Å; P203-D205 PolarHBondContact O-N 3.13Å; D205-H207 PolarHBondContact O-N 3.35Å; D205-H207 WeakPolarHBondContact OD1-CA 3.45Å; D205-H207 WeakPolarHBondContact OD1-CB 3.24Å; D205-H207 PolarHBondContact OD1-N 3.17Å; D205-G208 PolarHBondContact O-N 3.31Å; D205-G208 PolarHBondContact OD1-N 2.99Å; D205-G208 VanDerWaalsContact OD1-N 3.08Å; D205-L209 HydrophobicContact CB-CB 4.03Å; D205-L209 VanDerWaalsContact OD1-CB 3.24Å; D205-L209 WeakPolarHBondContact OD1-CB 3.5Å; D205-L209 PolarHBondContact OD1-N 3.16Å | ||
| 206 | P | 94 | Very high | 95.1 | Very high | 114 Ų | 114 | 72.7 Ų | 72.7 | 74% | 0.74 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.5 | -174.3 | 28.1 | -35.6 | 0 | 0 | 0 | 114 | ||
| 207 | H | 92 | Very high | 95.3 | Very high | 171 Ų | 171 | 69.3 Ų | 69.3 | 79% | 0.792 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 1.9 | -179.4 | -59.9 | -60 | 0 | 0 | 0 | 112.7 | D205 L209 | D205-H207 PolarHBondContact O-N 3.35Å; D205-H207 WeakPolarHBondContact OD1-CA 3.45Å; D205-H207 WeakPolarHBondContact OD1-CB 3.24Å; D205-H207 PolarHBondContact OD1-N 3.17Å; H207-L209 VanDerWaalsContact C-N 3.29Å |
| 208 | G | 90.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 31% | 0.309 | 39% | 0.393 | S | S | . | . | trans | 66 | 33.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D205 H210 | D205-G208 PolarHBondContact O-N 3.31Å; D205-G208 PolarHBondContact OD1-N 2.99Å; D205-G208 VanDerWaalsContact OD1-N 3.08Å; G208-H210 PolarHBondContact O-CD2 2.87Å | ||
| 209 | L | 95.3 | Very high | 95.4 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | trans | -53 | 136.7 | 176.5 | -171.2 | 71.7 | 0 | 0 | 0 | 111 | Y152 K201 V202 D205 H207 | Y152-L209 WeakPolarHBondContact OH-CD1 3.44Å; K201-L209 CarbonylContact C-O 3.54Å; K201-L209 WeakPolarHBondContact CA-O 3.46Å; V202-L209 HydrophobicContact CB-CB 4.44Å; V202-L209 HydrophobicContact CG2-CB 4.3Å; V202-L209 HydrophobicContact CG2-CD2 4.14Å; V202-L209 HydrophobicContact CG2-CG 4.22Å; V202-L209 PolarHBondContact N-O 3.43Å; D205-L209 HydrophobicContact CB-CB 4.03Å; D205-L209 VanDerWaalsContact OD1-CB 3.24Å; D205-L209 WeakPolarHBondContact OD1-CB 3.5Å; D205-L209 PolarHBondContact OD1-N 3.16Å; H207-L209 VanDerWaalsContact C-N 3.29Å | ||
| 210 | H | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 1% | 0.014 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -95.3 | 153.2 | 168.2 | -78.9 | -128.3 | 0 | 0 | 0 | 110.5 | D149 N150 P151 Y152 R200 K201 G208 S212 E215 | D149-H210 PolarHBondContact O-NE2 3.37Å; N150-H210 PolarHBondContact ND2-ND1 3.4Å; P151-H210 WeakPolarHBondContact CD-CD2 3.31Å; Y152-H210 HydrophobicContact CD2-CB 4.16Å; Y152-H210 HydrophobicContact CE2-CB 3.74Å; Y152-H210 WeakPolarHBondContact CE2-O 3.08Å; Y152-H210 PolarHBondContact OH-O 2.79Å; R200-H210 WeakPolarHBondContact O-CA 2.69Å; K201-H210 WeakPolarHBondContact CE-NE2 3.46Å; K201-H210 VanDerWaalsContact CG-CD2 3.46Å; K201-H210 WeakPolarHBondContact CG-CD2 3.37Å; K201-H210 WeakPolarHBondContact CG-NE2 3.47Å; G208-H210 PolarHBondContact O-CD2 2.87Å; H210-S212 VanDerWaalsContact C-N 3.35Å; H210-E215 IonicContact CE1-OE1 3.63Å; H210-E215 IonicContact ND1-OE1 3.53Å; H210-E215 PolarHBondContact ND1-OE1 3.07Å |
| 211 | Y | 96.7 | Very high | 95.6 | Very high | 121 Ų | 121 | 61 Ų | 61 | 48% | 0.475 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -66.8 | -35.4 | 176.3 | -74.5 | -83.6 | 0 | 0 | 0 | 112.8 | M199 R200 V202 P203 | M199-Y211 VanDerWaalsContact C-CD2 3.42Å; M199-Y211 HydrophobicContact CB-CD2 4.04Å; M199-Y211 HydrophobicContact CB-CG 4.32Å; M199-Y211 HydrophobicContact CE-CD1 4.21Å; M199-Y211 HydrophobicContact CE-CG 4.32Å; M199-Y211 WeakPolarHBondContact O-CB 3.16Å; M199-Y211 VanDerWaalsContact O-CD2 3.3Å; M199-Y211 WeakPolarHBondContact O-CD2 3.47Å; R200-Y211 WeakPolarHBondContact O-CD2 3.09Å; R200-Y211 PolarHBondContact O-N 3.33Å; V202-Y211 HydrophobicContact CB-CE2 4.38Å; V202-Y211 HydrophobicContact CG2-CD1 3.96Å; V202-Y211 HydrophobicContact CG2-CD2 3.96Å; V202-Y211 HydrophobicContact CG2-CE1 4Å; V202-Y211 HydrophobicContact CG2-CE2 4.02Å; V202-Y211 HydrophobicContact CG2-CG 3.95Å; P203-Y211 VanDerWaalsContact CD-OH 3.29Å; P203-Y211 WeakPolarHBondContact CD-OH 3.34Å |
| 212 | S | 96.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | trans | -153.5 | 171.7 | 177 | -154 | 0 | 0 | 0 | 0 | 110.9 | N150 Y152 H210 H214 | N150-S212 PolarHBondContact ND2-O 2.83Å; Y152-S212 WeakPolarHBondContact CD2-O 3.32Å; H210-S212 VanDerWaalsContact C-N 3.35Å; S212-H214 WeakPolarHBondContact CB-O 3.48Å | ||
| 213 | D | 96.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 42% | 0.422 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -66 | -18.6 | 162.5 | 60.1 | -25.8 | 0 | 0 | 0 | 114 | Y152 | Y152-D213 HydrophobicContact CG-CB 4.47Š|
| 214 | H | 97.7 | Very high | 95.6 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 19% | 0.19 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -104.9 | 145.6 | 167.6 | -73.8 | -125.7 | 0 | 0 | 0 | 111.9 | D100 T144 D168 S212 | D100-H214 IonicContact OD2-CE1 3.75Å; T144-H214 CarbonylContact O-C 3.49Å; T144-H214 WeakPolarHBondContact O-CA 3.42Å; D168-H214 IonicContact OD1-ND1 3.83Å; D168-H214 IonicContact OD2-CE1 2.64Å; D168-H214 IonicContact OD2-CG 3.69Å; D168-H214 IonicContact OD2-ND1 2.92Å; D168-H214 PolarHBondContact OD2-ND1 2.97Å; S212-H214 WeakPolarHBondContact CB-O 3.48Å |
| 215 | E | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | trans | -87.6 | 139.5 | 169.8 | -51.1 | -55.1 | 156 | 0 | 0 | 110 | T144 R147 N150 L197 R200 H210 | T144-E215 PolarHBondContact O-N 2.92Å; R147-E215 HydrophobicContact CG-CG 4.44Å; N150-E215 PolarHBondContact ND2-OE1 3.18Å; L197-E215 HydrophobicContact CD1-CB 4.5Å; L197-E215 HydrophobicContact CD2-CB 4.41Å; R200-E215 WeakPolarHBondContact CA-OE2 3.29Å; R200-E215 WeakPolarHBondContact CB-OE2 3.2Å; R200-E215 WeakPolarHBondContact CG-OE2 3.41Å; H210-E215 IonicContact CE1-OE1 3.63Å; H210-E215 IonicContact ND1-OE1 3.53Å; H210-E215 PolarHBondContact ND1-OE1 3.07Å | ||
| 216 | G | 96.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 59.7 Ų | 59.7 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 149.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L197 D198 | L197-G216 CarbonylContact C-O 3.38Å; L197-G216 WeakPolarHBondContact CA-O 3.29Å; D198-G216 PolarHBondContact N-O 3.33Å; D198-G216 WeakPolarHBondContact O-CA 3.27Å; D198-G216 PolarHBondContact O-N 3.03Å |
| 217 | V | 97.2 | Very high | 95.1 | Very high | 37 Ų | 37 | 66 Ų | 66 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.4 | 171.5 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | T144 D168 I170 L197 | T144-V217 HydrophobicContact CG2-CG2 3.6Å; D168-V217 HydrophobicContact CB-CG2 3.88Å; I170-V217 HydrophobicContact CD1-CB 4.26Å; I170-V217 HydrophobicContact CD1-CG1 3.82Å; I170-V217 HydrophobicContact CG1-CB 4.31Å; I170-V217 HydrophobicContact CG1-CG1 3.93Å; L197-V217 HydrophobicContact CD2-CG2 4.22Å |
| 218 | A | 97.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 64.3 Ų | 64.3 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 145 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | C195 W196 D198 | C195-A218 CarbonylContact C-O 3.55Å; C195-A218 VanDerWaalsContact CA-O 3.27Å; C195-A218 WeakPolarHBondContact CA-O 3.21Å; C195-A218 PolarHBondContact SG-O 2.83Å; C195-A218 VanDerWaalsContact SG-O 3.36Å; W196-A218 HydrophobicContact CD2-CB 4.04Å; W196-A218 VanDerWaalsContact CE2-CB 3.44Å; W196-A218 HydrophobicContact CG-CB 4.46Å; W196-A218 HydrophobicContact CH2-CB 4.27Å; W196-A218 HydrophobicContact CZ2-CB 3.59Å; W196-A218 PolarHBondContact N-O 2.88Å; W196-A218 PolarHBondContact O-N 3.03Å; D198-A218 HydrophobicContact CB-CB 3.87Å |
| 219 | A | 96.4 | Very high | 94.4 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | A122 I170 S194 C195 F221 | A122-A219 HydrophobicContact CB-CB 4.13Å; I170-A219 HydrophobicContact CD1-CB 3.85Å; I170-A219 HydrophobicContact CG2-CB 4.49Å; S194-A219 CarbonylContact O-C 3.59Å; S194-A219 VanDerWaalsContact O-CA 3.29Å; S194-A219 WeakPolarHBondContact O-CA 3.28Å; C195-A219 HydrophobicContact CB-CB 4.35Å; A219-F221 HydrophobicContact CB-CD2 4.33Å; A219-F221 HydrophobicContact CB-CE2 3.5Å; A219-F221 VanDerWaalsContact CB-CE2 3.5Å; A219-F221 HydrophobicContact CB-CZ 3.72Å |
| 220 | S | 96 | Very high | 93.4 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.3 | 172.5 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | N193 S194 | N193-S220 WeakPolarHBondContact CB-O 3.2Å; N193-S220 PolarHBondContact N-O 2.86Å; N193-S220 PolarHBondContact ND2-OG 2.91Å; S194-S220 PolarHBondContact O-N 2.76Å |
| 221 | F | 95.9 | Very high | 92.2 | Very high | 51 Ų | 51 | 72.1 Ų | 72.1 | 22% | 0.224 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149 | 178.8 | -62.7 | -86.3 | 0 | 0 | 0 | 112.6 | I96 A122 I170 Y172 L190 V191 C192 A219 | I96-F221 HydrophobicContact CD1-CD2 4.31Å; I96-F221 HydrophobicContact CD1-CE2 4.29Å; A122-F221 HydrophobicContact CB-CZ 4.18Å; I170-F221 HydrophobicContact CG2-CE2 4.16Å; I170-F221 HydrophobicContact CG2-CZ 3.79Å; Y172-F221 AromaticContact CD1-CE1 3.61Å; Y172-F221 HydrophobicContact CD1-CE1 3.61Å; Y172-F221 HydrophobicContact CD1-CZ 4.14Å; Y172-F221 HydrophobicContact CD2-CD1 4.29Å; Y172-F221 AromaticContact CD2-CE1 3.85Å; Y172-F221 HydrophobicContact CD2-CE1 3.85Å; Y172-F221 AromaticContact CE1-CE1 3.99Å; Y172-F221 HydrophobicContact CE1-CE1 3.99Å; Y172-F221 HydrophobicContact CE2-CE1 4.21Å; Y172-F221 HydrophobicContact CG-CD1 4.38Å; Y172-F221 AromaticContact CG-CE1 3.53Å; Y172-F221 HydrophobicContact CG-CE1 3.53Å; Y172-F221 HydrophobicContact CG-CZ 4.22Å; L190-F221 HydrophobicContact CD1-CB 3.7Å; L190-F221 HydrophobicContact CD1-CD1 4.1Å; L190-F221 HydrophobicContact CD1-CG 4.12Å; L190-F221 HydrophobicContact CD2-CD1 4.21Å; L190-F221 HydrophobicContact CG-CD1 4.03Å; V191-F221 CarbonylContact O-C 3.54Å; V191-F221 VanDerWaalsContact O-CA 3.25Å; V191-F221 WeakPolarHBondContact O-CA 3.42Å; C192-F221 HydrophobicContact CB-CD1 4.02Å; C192-F221 HydrophobicContact CB-CE1 3.73Å; A219-F221 HydrophobicContact CB-CD2 4.33Å; A219-F221 HydrophobicContact CB-CE2 3.5Å; A219-F221 VanDerWaalsContact CB-CE2 3.5Å; A219-F221 HydrophobicContact CB-CZ 3.72Å |
| 222 | T | 95.6 | Very high | 90.6 | Very high | 60 Ų | 60 | 68.6 Ų | 68.6 | 37% | 0.368 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.9 | 163.6 | -56 | 0 | 0 | 0 | 0 | 108.6 | L190 V191 N193 | L190-T222 WeakPolarHBondContact CA-O 3.4Å; V191-T222 PolarHBondContact N-O 2.95Å; V191-T222 PolarHBondContact O-N 3.33Å; N193-T222 VanDerWaalsContact CG-OG1 3.26Å; N193-T222 PolarHBondContact ND2-OG1 3.15Å; N193-T222 PolarHBondContact OD1-OG1 2.77Å |
| 223 | I | 95.7 | Very high | 88.7 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 20% | 0.2 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.4 | 170.3 | -169 | 168.4 | 0 | 0 | 0 | 109.9 | F48 I50 D93 A94 A188 K189 L190 | F48-I223 HydrophobicContact CB-CD1 3.96Å; F48-I223 HydrophobicContact CD1-CD1 3.64Å; F48-I223 HydrophobicContact CD1-CG1 3.84Å; F48-I223 HydrophobicContact CD1-CG2 4.49Å; F48-I223 HydrophobicContact CD2-CG2 3.78Å; F48-I223 HydrophobicContact CE1-CD1 4.17Å; F48-I223 HydrophobicContact CE1-CG1 3.84Å; F48-I223 HydrophobicContact CE2-CG2 3.82Å; F48-I223 HydrophobicContact CG-CD1 3.84Å; F48-I223 HydrophobicContact CG-CG1 4.22Å; F48-I223 HydrophobicContact CG-CG2 4.11Å; F48-I223 HydrophobicContact CZ-CG1 4.23Å; F48-I223 HydrophobicContact CZ-CG2 4.17Å; I50-I223 HydrophobicContact CG1-CD1 4.46Å; D93-I223 HydrophobicContact CB-CD1 4.34Å; A94-I223 HydrophobicContact CB-CD1 3.91Å; A188-I223 HydrophobicContact CB-CD1 4.31Å; A188-I223 HydrophobicContact CB-CG1 4.23Å; K189-I223 WeakPolarHBondContact O-CA 3.25Å; L190-I223 HydrophobicContact CD1-CB 3.96Å; L190-I223 HydrophobicContact CD1-CG1 4.44Å |
| 224 | T | 95.5 | Very high | 86.7 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 131.7 | -174.3 | -55.5 | 0 | 0 | 0 | 0 | 110.4 | A188 K189 | A188-T224 CarbonylContact C-O 3.57Å; A188-T224 VanDerWaalsContact CA-O 3.28Å; A188-T224 WeakPolarHBondContact CA-O 3.4Å; K189-T224 PolarHBondContact N-O 2.76Å; K189-T224 PolarHBondContact O-N 2.7Å |
| 225 | R | 94.4 | Very high | 84.8 | Confident | 140 Ų | 140 | 73.9 Ų | 73.9 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 129.1 | 169.5 | -71.6 | -171.8 | 172.7 | 116 | 0.7 | 110.1 | E46 G47 F48 Y187 | E46-R225 VanDerWaalsContact O-CZ 3.25Å; E46-R225 PolarHBondContact O-NH1 2.77Å; E46-R225 PolarHBondContact O-NH2 2.97Å; G47-R225 PolarHBondContact O-NH2 2.79Å; F48-R225 HydrophobicContact CD1-CG 4.41Å; F48-R225 HydrophobicContact CE1-CB 4.38Å; F48-R225 HydrophobicContact CE1-CG 3.37Å; F48-R225 HydrophobicContact CZ-CB 4.43Å; F48-R225 HydrophobicContact CZ-CG 3.5Å; Y187-R225 WeakPolarHBondContact O-CA 3.13Å |
| 226 | L | 92.2 | Very high | 83.4 | Confident | 45 Ų | 45 | 78.4 Ų | 78.4 | 24% | 0.236 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.9 | 178.1 | -59.9 | 177.8 | 0 | 0 | 0 | 109.7 | Y187 K189 V230 | Y187-L226 PolarHBondContact O-N 3.07Å; K189-L226 HydrophobicContact CB-CD1 4.3Å; K189-L226 HydrophobicContact CB-CD2 3.93Å; K189-L226 HydrophobicContact CB-CG 4.3Å; L226-V230 HydrophobicContact CD1-CB 4.4Å; L226-V230 HydrophobicContact CD1-CG2 3.98Å |
| 227 | R | 86.1 | Confident | 82.3 | Confident | 246 Ų | 246 | 78.6 Ų | 78.6 | 93% | 0.928 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | -38.9 | 175.5 | -67 | -177.2 | -177.7 | 177 | 0.7 | 111.8 | ||
| 228 | N | 84.8 | Confident | 81.7 | Confident | 137 Ų | 137 | 79 Ų | 79 | 73% | 0.733 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 112.3 | 172.5 | -65.2 | -25.3 | 0 | 0 | 0 | 107.4 | V230 | N228-V230 PolarHBondContact O-N 3.35Å |
| 229 | P | 82 | Confident | 81.1 | Confident | 57 Ų | 57 | 83.3 Ų | 83.3 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 130.3 | 177.5 | -23 | 33.7 | 0 | 0 | 0 | 110.5 | P185 S186 Y187 | P185-P229 HydrophobicContact CB-CB 3.5Å; P185-P229 HydrophobicContact CG-CB 3.61Å; S186-P229 CarbonylContact O-C 3.59Å; S186-P229 VanDerWaalsContact O-CA 3.23Å; S186-P229 WeakPolarHBondContact O-CA 3.44Å; Y187-P229 HydrophobicContact CD1-CB 4.1Å; Y187-P229 HydrophobicContact CD1-CG 3.71Å; Y187-P229 HydrophobicContact CE1-CB 3.95Å; Y187-P229 HydrophobicContact CE1-CG 3.43Å; Y187-P229 VanDerWaalsContact CE1-CG 3.43Å |
| 230 | V | 76 | Confident | 80.8 | Confident | 79 Ų | 79 | 86 Ų | 86 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.1 | 179.3 | 176.7 | 0 | 0 | 0 | 0 | 107.3 | S186 L226 N228 | S186-V230 WeakPolarHBondContact CB-O 3.43Å; S186-V230 PolarHBondContact N-O 3.16Å; S186-V230 PolarHBondContact O-N 3.06Å; L226-V230 HydrophobicContact CD1-CB 4.4Å; L226-V230 HydrophobicContact CD1-CG2 3.98Å; N228-V230 PolarHBondContact O-N 3.35Å |
| 231 | K | 69.7 | Low | 80.3 | Confident | 137 Ų | 137 | 87.3 Ų | 87.3 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 139.3 | 160.6 | -74.7 | -172 | 175.9 | -172.8 | 0 | 107.2 | P185 E233 | P185-K231 HydrophobicContact CB-CG 4.01Å; K231-E233 PolarHBondContact O-N 3.16Å; K231-E233 VanDerWaalsContact O-N 3.08Å |
| 232 | P | 63.9 | Low | 79.9 | Confident | 47 Ų | 47 | 86.7 Ų | 86.7 | 31% | 0.305 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 124.8 | 166.8 | -12.1 | 22.5 | 0 | 0 | 0 | 107 | S181 G234 | S181-P232 WeakPolarHBondContact O-CD 3.35Å; S181-P232 WeakPolarHBondContact O-CG 3.39Å; P232-G234 PolarHBondContact O-N 3.47Å |
| 233 | E | 55.8 | Low | 79.7 | Confident | 141 Ų | 141 | 87.3 Ų | 87.3 | 66% | 0.659 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 130.3 | 171.9 | -70.5 | 179.7 | 172.7 | 0 | 0 | 106.5 | K231 E235 I350 | K231-E233 PolarHBondContact O-N 3.16Å; K231-E233 VanDerWaalsContact O-N 3.08Å; E233-E235 HydrophobicContact CB-CG 4.28Å; E233-E235 PolarHBondContact O-N 3.13Å; E233-I350 WeakPolarHBondContact O-CG2 3.46Å |
| 234 | G | 54.3 | Low | 79.6 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 54% | 0.536 | 47% | 0.473 | S | S | . | . | trans | -69.6 | 39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P232 T236 | P232-G234 PolarHBondContact O-N 3.47Å; G234-T236 PolarHBondContact O-N 2.94Å | ||
| 235 | E | 58.1 | Low | 79.5 | Confident | 91 Ų | 91 | 87.8 Ų | 87.8 | 43% | 0.425 | 45% | 0.453 | S | S | . | . | trans | -63.4 | 103.7 | 176.3 | -74.8 | -162.7 | 164.2 | 0 | 0 | 107.9 | E233 M237 I350 K351 | E233-E235 HydrophobicContact CB-CG 4.28Å; E233-E235 PolarHBondContact O-N 3.13Å; E235-M237 PolarHBondContact O-N 2.89Å; E235-I350 WeakPolarHBondContact O-CG2 3.39Å; E235-K351 HydrophobicContact CB-CB 4.11Å; E235-K351 HydrophobicContact CB-CD 4.16Å; E235-K351 WeakPolarHBondContact O-CB 3.42Å; E235-K351 PolarHBondContact O-N 2.66Å; E235-K351 WeakPolarHBondContact OE2-CD 3.36Å; E235-K351 IonicContact OE2-NZ 3.35Å; E235-K351 PolarHBondContact OE2-NZ 3.16Å | ||
| 236 | T | 67.7 | Low | 79.5 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 61% | 0.613 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 127.3 | 167.8 | 45.8 | 0 | 0 | 0 | 0 | 108.3 | G234 S238 F347 | G234-T236 PolarHBondContact O-N 2.94Å; T236-S238 PolarHBondContact O-N 3.38Å; T236-F347 HydrophobicContact CG2-CE1 4.34Å |
| 237 | M | 74.5 | Confident | 79.7 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 13% | 0.133 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 133 | 172.4 | -174.7 | 178 | -74.1 | 0 | 0 | 109.5 | E235 E241 L242 L245 | E235-M237 PolarHBondContact O-N 2.89Å; M237-E241 HydrophobicContact CG-CB 3.14Å; M237-E241 HydrophobicContact CG-CG 4.24Å; M237-E241 HydrophobicContact SD-CB 3.69Å; M237-L242 HydrophobicContact CB-CD2 3.89Å; M237-L242 HydrophobicContact CB-CG 3.89Å; M237-L242 HydrophobicContact CG-CD2 3.99Å; M237-L242 HydrophobicContact CG-CG 3.78Å; M237-L242 VanDerWaalsContact SD-CA 3.56Å; M237-L242 HydrophobicContact SD-CB 4.28Å; M237-L242 HydrophobicContact SD-CD2 3.61Å; M237-L242 HydrophobicContact SD-CG 3.84Å; M237-L242 PolarHBondContact SD-N 3.26Å; M237-L245 HydrophobicContact CE-CD2 4.35Å; M237-L245 HydrophobicContact SD-CD2 4.44Å |
| 238 | S | 83.2 | Confident | 80.2 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 33% | 0.329 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 155.2 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 110.6 | T236 S240 E241 L242 | T236-S238 PolarHBondContact O-N 3.38Å; S238-S240 PolarHBondContact O-N 3.11Å; S238-S240 VanDerWaalsContact O-N 3.11Å; S238-S240 PolarHBondContact OG-OG 3.21Å; S238-E241 VanDerWaalsContact CB-OE2 3.3Å; S238-E241 WeakPolarHBondContact CB-OE2 3.36Å; S238-E241 PolarHBondContact N-OE2 3.21Å; S238-E241 PolarHBondContact O-N 2.78Å; S238-E241 WeakPolarHBondContact OG-CB 3.48Å; S238-E241 WeakPolarHBondContact OG-CG 3.24Å; S238-E241 PolarHBondContact OG-N 3.5Å; S238-E241 PolarHBondContact OG-OE2 3.04Å; S238-L242 PolarHBondContact O-N 3.17Å |
| 239 | T | 86.3 | Confident | 80.8 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -53.6 | -35.4 | 176.6 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | N243 | T239-N243 WeakPolarHBondContact O-CB 3.23Å; T239-N243 PolarHBondContact O-N 3.12Å; T239-N243 PolarHBondContact O-ND2 2.5Å |
| 240 | S | 88.3 | Confident | 81.5 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 59% | 0.587 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67 | -44.1 | 176.4 | 42.5 | 0 | 0 | 0 | 0 | 113.2 | S238 N243 R244 | S238-S240 PolarHBondContact O-N 3.11Å; S238-S240 VanDerWaalsContact O-N 3.11Å; S238-S240 PolarHBondContact OG-OG 3.21Å; S240-N243 PolarHBondContact O-N 3.22Å; S240-R244 PolarHBondContact O-N 2.97Å |
| 241 | E | 87.2 | Confident | 82.5 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.8 | -39 | 177.9 | -71.3 | 161.9 | 140.3 | 0 | 0 | 110.7 | M237 S238 N243 R244 L245 | M237-E241 HydrophobicContact CG-CB 3.14Å; M237-E241 HydrophobicContact CG-CG 4.24Å; M237-E241 HydrophobicContact SD-CB 3.69Å; S238-E241 VanDerWaalsContact CB-OE2 3.3Å; S238-E241 WeakPolarHBondContact CB-OE2 3.36Å; S238-E241 PolarHBondContact N-OE2 3.21Å; S238-E241 PolarHBondContact O-N 2.78Å; S238-E241 WeakPolarHBondContact OG-CB 3.48Å; S238-E241 WeakPolarHBondContact OG-CG 3.24Å; S238-E241 PolarHBondContact OG-N 3.5Å; S238-E241 PolarHBondContact OG-OE2 3.04Å; E241-N243 VanDerWaalsContact C-N 3.35Å; E241-N243 PolarHBondContact O-N 2.92Å; E241-R244 PolarHBondContact O-N 3.42Å; E241-L245 PolarHBondContact O-N 2.88Å |
| 242 | L | 87 | Confident | 83.9 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 20% | 0.199 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.2 | -72.5 | 169.3 | 0 | 0 | 0 | 111.3 | M237 S238 L245 R246 L341 | M237-L242 HydrophobicContact CB-CD2 3.89Å; M237-L242 HydrophobicContact CB-CG 3.89Å; M237-L242 HydrophobicContact CG-CD2 3.99Å; M237-L242 HydrophobicContact CG-CG 3.78Å; M237-L242 VanDerWaalsContact SD-CA 3.56Å; M237-L242 HydrophobicContact SD-CB 4.28Å; M237-L242 HydrophobicContact SD-CD2 3.61Å; M237-L242 HydrophobicContact SD-CG 3.84Å; M237-L242 PolarHBondContact SD-N 3.26Å; S238-L242 PolarHBondContact O-N 3.17Å; L242-L245 PolarHBondContact O-N 3.4Å; L242-R246 WeakPolarHBondContact O-CG 3.04Å; L242-R246 PolarHBondContact O-N 2.83Å; L242-L341 HydrophobicContact CD2-CD1 3.38Å |
| 243 | N | 91.7 | Very high | 85.5 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 176.5 | -71.6 | -16.7 | 0 | 0 | 0 | 111.5 | T239 S240 E241 L245 R246 D247 | T239-N243 WeakPolarHBondContact O-CB 3.23Å; T239-N243 PolarHBondContact O-N 3.12Å; T239-N243 PolarHBondContact O-ND2 2.5Å; S240-N243 PolarHBondContact O-N 3.22Å; E241-N243 VanDerWaalsContact C-N 3.35Å; E241-N243 PolarHBondContact O-N 2.92Å; N243-L245 VanDerWaalsContact C-N 3.3Å; N243-L245 PolarHBondContact O-N 3.46Å; N243-R246 WeakPolarHBondContact O-CB 3.22Å; N243-R246 PolarHBondContact O-N 3.24Å; N243-R246 VanDerWaalsContact O-N 3.16Å; N243-R246 PolarHBondContact OD1-NH1 2.89Å; N243-R246 VanDerWaalsContact OD1-NH1 3.12Å; N243-D247 VanDerWaalsContact O-CG 3.29Å; N243-D247 PolarHBondContact O-N 3.32Å |
| 244 | R | 93.9 | Very high | 87.5 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 174.2 | -179.5 | 55.7 | 177 | 171 | -1 | 111.5 | E111 S240 E241 R246 D247 L248 | E111-R244 IonicContact OE1-CZ 3.99Å; E111-R244 IonicContact OE1-NE 3.89Å; E111-R244 PolarHBondContact OE1-NE 2.96Å; E111-R244 IonicContact OE1-NH2 2.88Å; E111-R244 PolarHBondContact OE1-NH2 2.91Å; E111-R244 IonicContact OE2-CZ 2.98Å; E111-R244 IonicContact OE2-NE 2.74Å; E111-R244 IonicContact OE2-NH2 2.97Å; E111-R244 PolarHBondContact OE2-NH2 2.74Å; S240-R244 PolarHBondContact O-N 2.97Å; E241-R244 PolarHBondContact O-N 3.42Å; R244-R246 PolarHBondContact O-N 3.24Å; R244-D247 PolarHBondContact O-N 3.32Å; R244-L248 HydrophobicContact CG-CD1 4.29Å; R244-L248 VanDerWaalsContact O-CG 3.29Å; R244-L248 WeakPolarHBondContact O-CG 3.33Å; R244-L248 PolarHBondContact O-N 3.49Å |
| 245 | L | 92.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 176.7 | -175.9 | 60 | 0 | 0 | 0 | 112.2 | L112 T115 M237 E241 L242 N243 L248 L249 L341 L349 | L112-L245 HydrophobicContact CD1-CD1 3.58Å; T115-L245 HydrophobicContact CG2-CD1 4.33Å; M237-L245 HydrophobicContact CE-CD2 4.35Å; M237-L245 HydrophobicContact SD-CD2 4.44Å; E241-L245 PolarHBondContact O-N 2.88Å; L242-L245 PolarHBondContact O-N 3.4Å; N243-L245 VanDerWaalsContact C-N 3.3Å; N243-L245 PolarHBondContact O-N 3.46Å; L245-L248 PolarHBondContact O-N 2.98Å; L245-L249 HydrophobicContact CD1-CG 4.49Å; L245-L249 HydrophobicContact CG-CD1 4.18Å; L245-L249 VanDerWaalsContact O-CG 3.3Å; L245-L249 WeakPolarHBondContact O-CG 3.03Å; L245-L249 PolarHBondContact O-N 2.71Å; L245-L341 HydrophobicContact CB-CD2 4.34Å; L245-L341 HydrophobicContact CD2-CD1 4.34Å; L245-L341 HydrophobicContact CD2-CD2 4.12Å; L245-L341 HydrophobicContact CG-CD2 4.04Å; L245-L349 HydrophobicContact CD2-CD2 3.95Å |
| 246 | R | 93.7 | Very high | 91.5 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 172.8 | -71.9 | -171.9 | -176.5 | 97.9 | 7.3 | 111.8 | L242 N243 R244 L248 L249 L250 L341 D342 | L242-R246 WeakPolarHBondContact O-CG 3.04Å; L242-R246 PolarHBondContact O-N 2.83Å; N243-R246 WeakPolarHBondContact O-CB 3.22Å; N243-R246 PolarHBondContact O-N 3.24Å; N243-R246 VanDerWaalsContact O-N 3.16Å; N243-R246 PolarHBondContact OD1-NH1 2.89Å; N243-R246 VanDerWaalsContact OD1-NH1 3.12Å; R244-R246 PolarHBondContact O-N 3.24Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-L248 PolarHBondContact O-N 3.43Å; R246-L249 PolarHBondContact O-N 3.35Å; R246-L250 WeakPolarHBondContact O-CB 3.24Å; R246-L250 PolarHBondContact O-N 3.26Å; R246-L341 HydrophobicContact CB-CD2 4.39Å; R246-L341 HydrophobicContact CG-CD2 3.4Å; R246-L341 VanDerWaalsContact CG-CD2 3.4Å; R246-L341 HydrophobicContact CG-CG 4.16Å; R246-D342 IonicContact NE-OD1 2.7Å |
| 247 | D | 96.1 | Very high | 93 | Very high | 93 Ų | 93 | 53 Ų | 53 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 179.6 | -65.8 | -22.6 | 0 | 0 | 0 | 111.4 | N243 R244 L250 D251 | N243-D247 VanDerWaalsContact O-CG 3.29Å; N243-D247 PolarHBondContact O-N 3.32Å; R244-D247 PolarHBondContact O-N 3.32Å; D247-L250 PolarHBondContact O-N 2.86Å; D247-D251 WeakPolarHBondContact O-CB 3.07Å; D247-D251 PolarHBondContact O-N 3.47Å |
| 248 | L | 97.2 | Very high | 94 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.4 | -69 | 172.7 | 0 | 0 | 0 | 111.7 | E111 L112 R244 L245 R246 L250 D251 I252 | E111-L248 HydrophobicContact CB-CD1 4.27Å; E111-L248 HydrophobicContact CB-CD2 4.16Å; E111-L248 HydrophobicContact CG-CD1 3.8Å; E111-L248 HydrophobicContact CG-CD2 4.29Å; L112-L248 HydrophobicContact CB-CB 4.28Å; L112-L248 HydrophobicContact CD1-CB 4.11Å; R244-L248 HydrophobicContact CG-CD1 4.29Å; R244-L248 VanDerWaalsContact O-CG 3.29Å; R244-L248 WeakPolarHBondContact O-CG 3.33Å; R244-L248 PolarHBondContact O-N 3.49Å; L245-L248 PolarHBondContact O-N 2.98Å; R246-L248 VanDerWaalsContact C-N 3.33Å; R246-L248 PolarHBondContact O-N 3.43Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 3.03Å; L248-D251 PolarHBondContact O-N 3.01Å; L248-I252 WeakPolarHBondContact O-CB 3.28Å; L248-I252 VanDerWaalsContact O-CG1 3.31Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 3.37Å |
| 249 | L | 97 | Very high | 94.7 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 178 | -72.3 | 167 | 0 | 0 | 0 | 111.9 | L112 L245 R246 I252 D253 I334 L337 L341 | L112-L249 HydrophobicContact CD1-CD2 3.85Å; L112-L249 HydrophobicContact CD1-CG 4.07Å; L112-L249 HydrophobicContact CD2-CD2 4.1Å; L245-L249 HydrophobicContact CD1-CG 4.49Å; L245-L249 HydrophobicContact CG-CD1 4.18Å; L245-L249 VanDerWaalsContact O-CG 3.3Å; L245-L249 WeakPolarHBondContact O-CG 3.03Å; L245-L249 PolarHBondContact O-N 2.71Å; R246-L249 PolarHBondContact O-N 3.35Å; L249-I252 PolarHBondContact O-N 2.63Å; L249-D253 WeakPolarHBondContact O-CB 3.49Å; L249-D253 PolarHBondContact O-N 3.31Å; L249-I334 HydrophobicContact CB-CG2 4.46Å; L249-I334 HydrophobicContact CD2-CD1 4.19Å; L249-I334 HydrophobicContact CD2-CG2 4.04Å; L249-L337 HydrophobicContact CD1-CB 4.47Å; L249-L337 HydrophobicContact CD2-CB 3.91Å; L249-L337 HydrophobicContact CD2-CD1 4.29Å; L249-L341 HydrophobicContact CD1-CD2 3.85Å |
| 250 | L | 97.5 | Very high | 95.3 | Very high | 97 Ų | 97 | 50.6 Ų | 50.6 | 51% | 0.508 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64 | -45.9 | 176.7 | 179.4 | 62.7 | 0 | 0 | 0 | 111.5 | R246 D247 L248 D253 Q254 | R246-L250 WeakPolarHBondContact O-CB 3.24Å; R246-L250 PolarHBondContact O-N 3.26Å; D247-L250 PolarHBondContact O-N 2.86Å; L248-L250 VanDerWaalsContact C-N 3.34Å; L248-L250 PolarHBondContact O-N 3.03Å; L250-D253 PolarHBondContact O-N 2.77Å; L250-Q254 WeakPolarHBondContact O-CG 3.08Å; L250-Q254 PolarHBondContact O-N 2.98Å |
| 251 | D | 97.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.6 | -49 | 177 | 178.8 | 68.8 | 0 | 0 | 0 | 110.9 | S108 D247 L248 D253 Q254 Q255 | S108-D251 WeakPolarHBondContact CB-OD2 3.49Å; S108-D251 PolarHBondContact OG-OD2 3.31Å; D247-D251 WeakPolarHBondContact O-CB 3.07Å; D247-D251 PolarHBondContact O-N 3.47Å; L248-D251 PolarHBondContact O-N 3.01Å; D251-D253 VanDerWaalsContact C-N 3.32Å; D251-D253 PolarHBondContact O-N 2.92Å; D251-Q254 WeakPolarHBondContact O-CA 3.48Å; D251-Q254 WeakPolarHBondContact O-CB 3.36Å; D251-Q254 PolarHBondContact O-N 3.08Å; D251-Q255 VanDerWaalsContact O-CG 3.28Å; D251-Q255 WeakPolarHBondContact O-CG 3.21Å; D251-Q255 PolarHBondContact O-N 2.9Å; D251-Q255 PolarHBondContact OD2-NE2 3.32Å |
| 252 | I | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 177.6 | -67.1 | -50.2 | 0 | 0 | 0 | 112.3 | I75 A109 L112 L248 L249 Q254 Q255 L256 I334 | I75-I252 HydrophobicContact CD1-CD1 4.2Å; I75-I252 HydrophobicContact CG2-CD1 4.33Å; I75-I252 HydrophobicContact CG2-CG2 3.67Å; A109-I252 HydrophobicContact CB-CD1 3.95Å; L112-I252 HydrophobicContact CD2-CB 4.1Å; L112-I252 HydrophobicContact CD2-CG1 3.63Å; L112-I252 HydrophobicContact CD2-CG2 4.24Å; L248-I252 WeakPolarHBondContact O-CB 3.28Å; L248-I252 VanDerWaalsContact O-CG1 3.31Å; L248-I252 WeakPolarHBondContact O-CG1 3.43Å; L248-I252 PolarHBondContact O-N 3.37Å; L249-I252 PolarHBondContact O-N 2.63Å; I252-Q254 VanDerWaalsContact C-N 3.31Å; I252-Q254 PolarHBondContact O-N 3.43Å; I252-Q255 PolarHBondContact O-N 3.31Å; I252-L256 HydrophobicContact CG2-CD1 4.13Å; I252-L256 WeakPolarHBondContact O-CG 3.29Å; I252-L256 PolarHBondContact O-N 2.98Å; I252-I334 HydrophobicContact CG2-CD1 3.71Å; I252-I334 HydrophobicContact CG2-CG1 3.86Å |
| 253 | D | 98.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 173.7 | -170.4 | 72.2 | 0 | 0 | 0 | 112.1 | L249 L250 D251 L256 T257 K331 I334 | L249-D253 WeakPolarHBondContact O-CB 3.49Å; L249-D253 PolarHBondContact O-N 3.31Å; L250-D253 PolarHBondContact O-N 2.77Å; D251-D253 VanDerWaalsContact C-N 3.32Å; D251-D253 PolarHBondContact O-N 2.92Å; D253-L256 PolarHBondContact O-N 3.12Å; D253-T257 WeakPolarHBondContact O-CB 3.26Å; D253-T257 PolarHBondContact O-N 3.18Å; D253-T257 PolarHBondContact O-OG1 2.64Å; D253-K331 PolarHBondContact O-NZ 2.86Å; D253-K331 IonicContact OD1-NZ 2.73Å; D253-K331 PolarHBondContact OD1-NZ 3.48Å; D253-K331 IonicContact OD2-NZ 2.81Å; D253-K331 PolarHBondContact OD2-NZ 2.89Å; D253-I334 HydrophobicContact CB-CG2 4.27Å |
| 254 | Q | 98 | Very high | 96.8 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.5 | -68.8 | 176 | 7.8 | 0 | 0 | 111.7 | L250 D251 I252 L256 T257 R258 | L250-Q254 WeakPolarHBondContact O-CG 3.08Å; L250-Q254 PolarHBondContact O-N 2.98Å; D251-Q254 WeakPolarHBondContact O-CA 3.48Å; D251-Q254 WeakPolarHBondContact O-CB 3.36Å; D251-Q254 PolarHBondContact O-N 3.08Å; I252-Q254 VanDerWaalsContact C-N 3.31Å; I252-Q254 PolarHBondContact O-N 3.43Å; Q254-L256 PolarHBondContact O-N 2.92Å; Q254-T257 PolarHBondContact O-N 2.81Å; Q254-R258 WeakPolarHBondContact O-CG 3.37Å; Q254-R258 PolarHBondContact O-N 3.06Å |
| 255 | Q | 97.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59 | -47 | 175.7 | -55.6 | -157.7 | 33.6 | 0 | 0 | 111.6 | N71 I75 S108 D251 I252 T257 R258 G259 | N71-Q255 PolarHBondContact ND2-OE1 3.35Å; N71-Q255 PolarHBondContact OD1-OE1 3.08Å; I75-Q255 HydrophobicContact CG1-CB 4.19Å; S108-Q255 PolarHBondContact OG-NE2 2.87Å; S108-Q255 VanDerWaalsContact OG-NE2 3.11Å; D251-Q255 VanDerWaalsContact O-CG 3.28Å; D251-Q255 WeakPolarHBondContact O-CG 3.21Å; D251-Q255 PolarHBondContact O-N 2.9Å; D251-Q255 PolarHBondContact OD2-NE2 3.32Å; I252-Q255 PolarHBondContact O-N 3.31Å; Q255-T257 VanDerWaalsContact C-N 3.35Å; Q255-T257 PolarHBondContact O-N 3.48Å; Q255-R258 WeakPolarHBondContact O-CB 3.5Å; Q255-R258 PolarHBondContact O-N 3.29Å; Q255-G259 PolarHBondContact O-N 2.88Å |
| 256 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 176.6 | -70.9 | 168.2 | 0 | 0 | 0 | 112.5 | I75 I252 D253 Q254 G259 L260 L327 A330 K331 I334 | I75-L256 HydrophobicContact CB-CD2 4.12Å; I75-L256 HydrophobicContact CG2-CD1 4.26Å; I75-L256 HydrophobicContact CG2-CD2 3.78Å; I75-L256 HydrophobicContact CG2-CG 3.75Å; I252-L256 HydrophobicContact CG2-CD1 4.13Å; I252-L256 WeakPolarHBondContact O-CG 3.29Å; I252-L256 PolarHBondContact O-N 2.98Å; D253-L256 PolarHBondContact O-N 3.12Å; Q254-L256 PolarHBondContact O-N 2.92Å; L256-G259 PolarHBondContact O-N 2.93Å; L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 PolarHBondContact O-N 3.21Å; L256-L327 HydrophobicContact CD2-CD2 4.08Å; L256-A330 HydrophobicContact CD1-CB 3.89Å; L256-A330 HydrophobicContact CD2-CB 3.79Å; L256-K331 HydrophobicContact CB-CD 4.11Å; L256-K331 HydrophobicContact CB-CG 3.53Å; L256-K331 HydrophobicContact CD1-CG 3.87Å; L256-K331 HydrophobicContact CG-CG 4.3Å; L256-I334 HydrophobicContact CD1-CG1 4.03Å |
| 257 | T | 98.2 | Very high | 97.1 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 28% | 0.282 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 175 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | D253 Q254 Q255 L260 N261 K331 | D253-T257 WeakPolarHBondContact O-CB 3.26Å; D253-T257 PolarHBondContact O-N 3.18Å; D253-T257 PolarHBondContact O-OG1 2.64Å; Q254-T257 PolarHBondContact O-N 2.81Å; Q255-T257 VanDerWaalsContact C-N 3.35Å; Q255-T257 PolarHBondContact O-N 3.48Å; T257-L260 PolarHBondContact O-N 3.17Å; T257-N261 WeakPolarHBondContact O-CB 3.46Å; T257-N261 VanDerWaalsContact O-CG 3.28Å; T257-N261 PolarHBondContact O-N 2.79Å; T257-N261 PolarHBondContact O-ND2 3.26Å; T257-K331 PolarHBondContact OG1-NZ 3.18Å |
| 258 | R | 97.3 | Very high | 97.2 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 173.8 | -69.4 | -178.3 | -59.3 | 165.1 | 7 | 111 | N71 Q254 Q255 L260 N261 Q262 | N71-R258 PolarHBondContact OD1-NH2 2.75Å; Q254-R258 WeakPolarHBondContact O-CG 3.37Å; Q254-R258 PolarHBondContact O-N 3.06Å; Q255-R258 WeakPolarHBondContact O-CB 3.5Å; Q255-R258 PolarHBondContact O-N 3.29Å; R258-L260 VanDerWaalsContact C-N 3.34Å; R258-L260 PolarHBondContact O-N 3.02Å; R258-N261 PolarHBondContact O-N 2.97Å; R258-Q262 WeakPolarHBondContact O-CG 3.08Å; R258-Q262 PolarHBondContact O-N 3.18Å |
| 259 | G | 97.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q255 L256 N261 Q262 C263 | Q255-G259 PolarHBondContact O-N 2.88Å; L256-G259 PolarHBondContact O-N 2.93Å; G259-N261 PolarHBondContact O-N 3.02Å; G259-Q262 WeakPolarHBondContact O-CB 3.48Å; G259-Q262 PolarHBondContact O-N 3.07Å; G259-C263 WeakPolarHBondContact O-CB 3.32Å; G259-C263 PolarHBondContact O-N 2.46Å |
| 260 | L | 97.9 | Very high | 97 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 177.8 | -176.3 | 61.1 | 0 | 0 | 0 | 111.8 | L256 T257 R258 Q262 C263 L264 K324 Q328 K331 | L256-L260 WeakPolarHBondContact O-CB 3.31Å; L256-L260 PolarHBondContact O-N 3.21Å; T257-L260 PolarHBondContact O-N 3.17Å; R258-L260 VanDerWaalsContact C-N 3.34Å; R258-L260 PolarHBondContact O-N 3.02Å; L260-Q262 VanDerWaalsContact C-N 3.35Å; L260-C263 WeakPolarHBondContact O-CB 3.49Å; L260-C263 PolarHBondContact O-N 2.51Å; L260-L264 HydrophobicContact CG-CD1 4.36Å; L260-L264 VanDerWaalsContact O-CG 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.37Å; L260-L264 PolarHBondContact O-N 3.29Å; L260-K324 HydrophobicContact CD1-CG 3.82Å; L260-Q328 HydrophobicContact CD1-CG 4.31Å; L260-Q328 HydrophobicContact CD2-CG 4.49Å; L260-K331 HydrophobicContact CD2-CD 4.38Å |
| 261 | N | 97.8 | Very high | 97 | Very high | 95 Ų | 95 | 52.6 Ų | 52.6 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 176.3 | -71.1 | -20.4 | 0 | 0 | 0 | 111.5 | T257 R258 G259 L264 H265 | T257-N261 WeakPolarHBondContact O-CB 3.46Å; T257-N261 VanDerWaalsContact O-CG 3.28Å; T257-N261 PolarHBondContact O-N 2.79Å; T257-N261 PolarHBondContact O-ND2 3.26Å; R258-N261 PolarHBondContact O-N 2.97Å; G259-N261 PolarHBondContact O-N 3.02Å; N261-L264 PolarHBondContact O-N 2.7Å; N261-H265 VanDerWaalsContact O-CB 3.28Å; N261-H265 WeakPolarHBondContact O-CB 3.5Å; N261-H265 PolarHBondContact O-N 2.68Å |
| 262 | Q | 95.8 | Very high | 97 | Very high | 77 Ų | 77 | 53.3 Ų | 53.3 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 173.4 | -72 | 172.9 | -6.2 | 0 | 0 | 111.8 | R258 G259 L260 L264 H265 G266 | R258-Q262 WeakPolarHBondContact O-CG 3.08Å; R258-Q262 PolarHBondContact O-N 3.18Å; G259-Q262 WeakPolarHBondContact O-CB 3.48Å; G259-Q262 PolarHBondContact O-N 3.07Å; L260-Q262 VanDerWaalsContact C-N 3.35Å; Q262-L264 PolarHBondContact O-N 3.28Å; Q262-H265 PolarHBondContact O-N 3.17Å; Q262-G266 PolarHBondContact O-N 3.04Å |
| 263 | C | 96.7 | Very high | 97 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | G259 L260 R267 R320 E323 L327 | G259-C263 WeakPolarHBondContact O-CB 3.32Å; G259-C263 PolarHBondContact O-N 2.46Å; L260-C263 WeakPolarHBondContact O-CB 3.49Å; L260-C263 PolarHBondContact O-N 2.51Å; C263-R267 WeakPolarHBondContact O-CB 3.03Å; C263-R267 PolarHBondContact O-N 2.75Å; C263-R320 PolarHBondContact SG-O 3.41Å; C263-R320 VanDerWaalsContact SG-O 3.4Å; C263-E323 HydrophobicContact CB-CG 4.27Å; C263-E323 VanDerWaalsContact CB-OE1 3.24Å; C263-E323 WeakPolarHBondContact CB-OE1 3.39Å; C263-E323 VanDerWaalsContact SG-CD 3.56Å; C263-L327 HydrophobicContact CB-CD1 4.09Å |
| 264 | L | 96.6 | Very high | 97 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | -179.9 | -68.3 | 174.6 | 0 | 0 | 0 | 111.7 | L260 N261 Q262 R267 V268 K324 | L260-L264 HydrophobicContact CG-CD1 4.36Å; L260-L264 VanDerWaalsContact O-CG 3.31Å; L260-L264 WeakPolarHBondContact O-CG 3.37Å; L260-L264 PolarHBondContact O-N 3.29Å; N261-L264 PolarHBondContact O-N 2.7Å; Q262-L264 PolarHBondContact O-N 3.28Å; L264-R267 WeakPolarHBondContact O-CB 3.37Å; L264-R267 PolarHBondContact O-N 2.99Å; L264-V268 WeakPolarHBondContact O-CG2 3.39Å; L264-V268 PolarHBondContact O-N 3.28Å; L264-V268 VanDerWaalsContact O-N 3.1Å; L264-K324 HydrophobicContact CD2-CD 4.29Å |
| 265 | H | 96.1 | Very high | 97 | Very high | 132 Ų | 132 | 58.9 Ų | 58.9 | 61% | 0.611 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 175.9 | -177.6 | 75.6 | 0 | 0 | 0 | 111.6 | N261 Q262 R267 V268 L269 | N261-H265 VanDerWaalsContact O-CB 3.28Å; N261-H265 WeakPolarHBondContact O-CB 3.5Å; N261-H265 PolarHBondContact O-N 2.68Å; Q262-H265 PolarHBondContact O-N 3.17Å; H265-R267 VanDerWaalsContact C-N 3.29Å; H265-R267 PolarHBondContact O-N 3.27Å; H265-V268 PolarHBondContact O-N 3.18Å; H265-L269 WeakPolarHBondContact O-CB 3.27Å; H265-L269 PolarHBondContact O-N 3.05Å |
| 266 | G | 94.6 | Very high | 97 | Very high | 8 Ų | 8 | 61.9 Ų | 61.9 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -37.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q262 L269 H270 | Q262-G266 PolarHBondContact O-N 3.04Å; G266-L269 PolarHBondContact O-N 2.97Å; G266-H270 WeakPolarHBondContact O-CB 3.5Å; G266-H270 PolarHBondContact O-CD2 2.94Å; G266-H270 PolarHBondContact O-N 3.36Å |
| 267 | R | 95.9 | Very high | 97 | Very high | 77 Ų | 77 | 62.8 Ų | 62.8 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.5 | -171.9 | -173.7 | 172.2 | 132.6 | -3.6 | 111.6 | C263 L264 H265 H270 L271 S316 R320 T321 | C263-R267 WeakPolarHBondContact O-CB 3.03Å; C263-R267 PolarHBondContact O-N 2.75Å; L264-R267 WeakPolarHBondContact O-CB 3.37Å; L264-R267 PolarHBondContact O-N 2.99Å; H265-R267 VanDerWaalsContact C-N 3.29Å; H265-R267 PolarHBondContact O-N 3.27Å; R267-H270 PolarHBondContact O-N 3.12Å; R267-L271 HydrophobicContact CG-CD1 4.35Å; R267-L271 WeakPolarHBondContact O-CG 3.38Å; R267-L271 PolarHBondContact O-N 3.22Å; R267-L271 VanDerWaalsContact O-N 3.1Å; R267-S316 WeakPolarHBondContact CG-OG 3.37Å; R267-S316 PolarHBondContact O-OG 2.97Å; R267-R320 HydrophobicContact CB-CB 4.2Å; R267-R320 HydrophobicContact CB-CG 4.07Å; R267-R320 HydrophobicContact CG-CB 4.33Å; R267-T321 PolarHBondContact NH1-OG1 2.85Å |
| 268 | V | 97.2 | Very high | 96.9 | Very high | 90 Ų | 90 | 63.5 Ų | 63.5 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 178 | 173 | 0 | 0 | 0 | 0 | 110.1 | L264 H265 H270 L271 T272 | L264-V268 WeakPolarHBondContact O-CG2 3.39Å; L264-V268 PolarHBondContact O-N 3.28Å; L264-V268 VanDerWaalsContact O-N 3.1Å; H265-V268 PolarHBondContact O-N 3.18Å; V268-H270 PolarHBondContact O-N 3.04Å; V268-L271 PolarHBondContact O-N 3.36Å; V268-T272 PolarHBondContact O-N 3.39Å; V268-T272 PolarHBondContact O-OG1 2.84Å; V268-T272 VanDerWaalsContact O-OG1 3.04Å |
| 269 | L | 95.9 | Very high | 96.9 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.403 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 179.3 | -177.1 | 64 | 0 | 0 | 0 | 112.2 | H265 G266 L271 T272 W273 | H265-L269 WeakPolarHBondContact O-CB 3.27Å; H265-L269 PolarHBondContact O-N 3.05Å; G266-L269 PolarHBondContact O-N 2.97Å; L269-L271 PolarHBondContact O-N 3.25Å; L269-T272 PolarHBondContact O-N 3.3Å; L269-W273 VanDerWaalsContact O-CD1 3.28Å; L269-W273 PolarHBondContact O-N 3.49Å |
| 270 | H | 95.3 | Very high | 96.9 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 178 | -73.2 | -175.2 | 0 | 0 | 0 | 112.5 | G266 R267 V268 W273 A274 L312 | G266-H270 WeakPolarHBondContact O-CB 3.5Å; G266-H270 PolarHBondContact O-CD2 2.94Å; G266-H270 PolarHBondContact O-N 3.36Å; R267-H270 PolarHBondContact O-N 3.12Å; V268-H270 PolarHBondContact O-N 3.04Å; H270-W273 PolarHBondContact O-N 2.54Å; H270-A274 WeakPolarHBondContact O-CB 3.49Å; H270-A274 PolarHBondContact O-N 2.78Å; H270-L312 HydrophobicContact CB-CD2 4.1Å |
| 271 | L | 96.8 | Very high | 96.8 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 177.7 | -68.2 | 174.8 | 0 | 0 | 0 | 111.7 | R267 V268 L269 A274 I275 S316 | R267-L271 HydrophobicContact CG-CD1 4.35Å; R267-L271 WeakPolarHBondContact O-CG 3.38Å; R267-L271 PolarHBondContact O-N 3.22Å; R267-L271 VanDerWaalsContact O-N 3.1Å; V268-L271 PolarHBondContact O-N 3.36Å; L269-L271 PolarHBondContact O-N 3.25Å; L271-A274 PolarHBondContact O-N 3.41Å; L271-I275 WeakPolarHBondContact O-CG1 3.16Å; L271-I275 PolarHBondContact O-N 3.32Å; L271-S316 WeakPolarHBondContact CD2-OG 3.34Å; L271-S316 VanDerWaalsContact CG-OG 3.29Å; L271-S316 WeakPolarHBondContact CG-OG 3.27Å |
| 272 | T | 97.8 | Very high | 96.7 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 174 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | V268 L269 A274 I275 I276 | V268-T272 PolarHBondContact O-N 3.39Å; V268-T272 PolarHBondContact O-OG1 2.84Å; V268-T272 VanDerWaalsContact O-OG1 3.04Å; L269-T272 PolarHBondContact O-N 3.3Å; T272-A274 VanDerWaalsContact C-N 3.34Å; T272-A274 PolarHBondContact O-N 2.79Å; T272-I275 PolarHBondContact O-N 2.97Å; T272-I276 HydrophobicContact CG2-CD1 4.21Å; T272-I276 WeakPolarHBondContact O-CG1 3.44Å; T272-I276 PolarHBondContact O-N 3.45Å; T272-I276 VanDerWaalsContact O-N 3.07Å |
| 273 | W | 97.6 | Very high | 96.7 | Very high | 134 Ų | 134 | 66.7 Ų | 66.7 | 51% | 0.508 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 175.7 | -79.7 | 116.2 | 0 | 0 | 0 | 113.1 | L269 H270 I275 I276 I277 L312 | L269-W273 VanDerWaalsContact O-CD1 3.28Å; L269-W273 PolarHBondContact O-N 3.49Å; H270-W273 PolarHBondContact O-N 2.54Å; W273-I275 VanDerWaalsContact C-N 3.32Å; W273-I275 PolarHBondContact O-N 3.23Å; W273-I276 HydrophobicContact CD2-CD1 4.45Å; W273-I276 HydrophobicContact CE3-CB 4.34Å; W273-I276 HydrophobicContact CE3-CD1 3.91Å; W273-I276 HydrophobicContact CE3-CG2 4.33Å; W273-I276 HydrophobicContact CZ3-CD1 4.09Å; W273-I276 HydrophobicContact CZ3-CG2 4.32Å; W273-I276 PolarHBondContact O-N 2.7Å; W273-I277 WeakPolarHBondContact O-CG1 3.48Å; W273-I277 PolarHBondContact O-N 3.32Å; W273-L312 HydrophobicContact CB-CD1 3.8Å |
| 274 | A | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H270 L271 T272 T278 L309 L312 I313 | H270-A274 WeakPolarHBondContact O-CB 3.49Å; H270-A274 PolarHBondContact O-N 2.78Å; L271-A274 PolarHBondContact O-N 3.41Å; T272-A274 VanDerWaalsContact C-N 3.34Å; T272-A274 PolarHBondContact O-N 2.79Å; A274-T278 WeakPolarHBondContact O-CB 2.94Å; A274-T278 PolarHBondContact O-N 2.96Å; A274-T278 PolarHBondContact O-OG1 3.3Å; A274-L309 HydrophobicContact CB-CD1 3.7Å; A274-L309 VanDerWaalsContact O-CD1 3.26Å; A274-L309 WeakPolarHBondContact O-CD1 3.26Å; A274-L312 HydrophobicContact CB-CB 4.21Å; A274-I313 HydrophobicContact CB-CG1 3.94Å |
| 275 | I | 97.9 | Very high | 96.3 | Very high | 119 Ų | 119 | 69.5 Ų | 69.5 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 175.3 | -68 | 164.5 | 0 | 0 | 0 | 110.7 | L271 T272 W273 I277 T278 F279 | L271-I275 WeakPolarHBondContact O-CG1 3.16Å; L271-I275 PolarHBondContact O-N 3.32Å; T272-I275 PolarHBondContact O-N 2.97Å; W273-I275 VanDerWaalsContact C-N 3.32Å; W273-I275 PolarHBondContact O-N 3.23Å; I275-I277 PolarHBondContact O-N 2.87Å; I275-T278 WeakPolarHBondContact O-CB 3.24Å; I275-T278 PolarHBondContact O-N 2.97Å; I275-F279 PolarHBondContact O-N 3.47Å |
| 276 | I | 98.1 | Very high | 96.1 | Very high | 81 Ų | 81 | 70.3 Ų | 70.3 | 42% | 0.415 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 178.7 | -66.7 | 167 | 0 | 0 | 0 | 111.1 | T272 W273 T278 F279 L280 | T272-I276 HydrophobicContact CG2-CD1 4.21Å; T272-I276 WeakPolarHBondContact O-CG1 3.44Å; T272-I276 PolarHBondContact O-N 3.45Å; T272-I276 VanDerWaalsContact O-N 3.07Å; W273-I276 HydrophobicContact CD2-CD1 4.45Å; W273-I276 HydrophobicContact CE3-CB 4.34Å; W273-I276 HydrophobicContact CE3-CD1 3.91Å; W273-I276 HydrophobicContact CE3-CG2 4.33Å; W273-I276 HydrophobicContact CZ3-CD1 4.09Å; W273-I276 HydrophobicContact CZ3-CG2 4.32Å; W273-I276 PolarHBondContact O-N 2.7Å; I276-T278 VanDerWaalsContact C-N 3.33Å; I276-T278 PolarHBondContact O-N 2.89Å; I276-F279 PolarHBondContact O-N 3.28Å; I276-L280 PolarHBondContact O-N 3.04Å |
| 277 | I | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 179.1 | -69.1 | 168.4 | 0 | 0 | 0 | 111.2 | W273 I275 F279 L280 L281 L305 I308 L309 L312 | W273-I277 WeakPolarHBondContact O-CG1 3.48Å; W273-I277 PolarHBondContact O-N 3.32Å; I275-I277 PolarHBondContact O-N 2.87Å; I277-F279 VanDerWaalsContact C-N 3.32Å; I277-F279 PolarHBondContact O-N 3.48Å; I277-L280 PolarHBondContact O-N 2.95Å; I277-L281 HydrophobicContact CG2-CD1 4.12Å; I277-L281 HydrophobicContact CG2-CG 4.43Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 WeakPolarHBondContact O-CG 3.35Å; I277-L281 PolarHBondContact O-N 3.27Å; I277-L305 HydrophobicContact CG2-CB 4.19Å; I277-L305 HydrophobicContact CG2-CD2 4.22Å; I277-I308 HydrophobicContact CD1-CB 4.43Å; I277-I308 HydrophobicContact CD1-CG2 3.57Å; I277-L309 HydrophobicContact CB-CD1 4.48Å; I277-L309 HydrophobicContact CG2-CB 3.95Å; I277-L309 HydrophobicContact CG2-CD1 4.44Å; I277-L312 HydrophobicContact CD1-CD1 3.64Å |
| 278 | T | 97.7 | Very high | 95.5 | Very high | 62 Ų | 62 | 81.8 Ų | 81.8 | 38% | 0.38 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | A274 I275 I276 L281 V282 L309 | A274-T278 WeakPolarHBondContact O-CB 2.94Å; A274-T278 PolarHBondContact O-N 2.96Å; A274-T278 PolarHBondContact O-OG1 3.3Å; I275-T278 WeakPolarHBondContact O-CB 3.24Å; I275-T278 PolarHBondContact O-N 2.97Å; I276-T278 VanDerWaalsContact C-N 3.33Å; I276-T278 PolarHBondContact O-N 2.89Å; T278-L281 PolarHBondContact O-N 3.3Å; T278-V282 WeakPolarHBondContact O-CG2 3.46Å; T278-V282 PolarHBondContact O-N 3.43Å; T278-L309 WeakPolarHBondContact OG1-CD1 3.35Å |
| 279 | F | 97.4 | Very high | 95.2 | Very high | 138 Ų | 138 | 79.9 Ų | 79.9 | 61% | 0.605 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 176.1 | -177 | -109.2 | 0 | 0 | 0 | 112.3 | I275 I276 I277 V282 I283 | I275-F279 PolarHBondContact O-N 3.47Å; I276-F279 PolarHBondContact O-N 3.28Å; I277-F279 VanDerWaalsContact C-N 3.32Å; I277-F279 PolarHBondContact O-N 3.48Å; F279-V282 PolarHBondContact O-N 2.93Å; F279-I283 HydrophobicContact CD1-CD1 3.63Å; F279-I283 HydrophobicContact CD1-CG1 4.5Å; F279-I283 HydrophobicContact CE1-CD1 3.21Å; F279-I283 HydrophobicContact CE1-CG1 4.2Å; F279-I283 HydrophobicContact CE2-CD1 4.39Å; F279-I283 HydrophobicContact CG-CD1 4.39Å; F279-I283 HydrophobicContact CZ-CD1 3.64Å; F279-I283 HydrophobicContact CZ-CG1 4.23Å; F279-I283 WeakPolarHBondContact O-CG1 3.48Å; F279-I283 PolarHBondContact O-N 2.94Å |
| 280 | L | 96.5 | Very high | 95 | Very high | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.3 | -178.6 | 62.7 | 0 | 0 | 0 | 112 | I276 I277 V282 I283 L284 F301 L305 | I276-L280 PolarHBondContact O-N 3.04Å; I277-L280 PolarHBondContact O-N 2.95Å; L280-V282 VanDerWaalsContact C-N 3.34Å; L280-V282 PolarHBondContact O-N 3.4Å; L280-I283 WeakPolarHBondContact O-CB 3.41Å; L280-I283 PolarHBondContact O-N 2.83Å; L280-L284 HydrophobicContact CG-CD1 4.39Å; L280-L284 WeakPolarHBondContact O-CG 3.49Å; L280-L284 PolarHBondContact O-N 3.34Å; L280-F301 HydrophobicContact CD2-CZ 4.49Å; L280-L305 HydrophobicContact CD2-CD1 3.7Å; L280-L305 HydrophobicContact CD2-CD2 4.24Å; L280-L305 HydrophobicContact CG-CD1 4.08Å |
| 281 | L | 96.4 | Very high | 94.9 | Very high | 37 Ų | 37 | 86.2 Ų | 86.2 | 19% | 0.194 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.1 | -77.1 | 169.6 | 0 | 0 | 0 | 111.6 | I277 T278 I283 L284 I285 E302 L305 L309 | I277-L281 HydrophobicContact CG2-CD1 4.12Å; I277-L281 HydrophobicContact CG2-CG 4.43Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 WeakPolarHBondContact O-CG 3.35Å; I277-L281 PolarHBondContact O-N 3.27Å; T278-L281 PolarHBondContact O-N 3.3Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 3.29Å; L281-L284 HydrophobicContact CD2-CD1 4.48Å; L281-L284 PolarHBondContact O-N 2.96Å; L281-I285 WeakPolarHBondContact O-CG1 3.36Å; L281-I285 PolarHBondContact O-N 3.46Å; L281-E302 HydrophobicContact CD2-CB 4.38Å; L281-E302 HydrophobicContact CD2-CG 4.38Å; L281-L305 HydrophobicContact CD1-CB 4.4Å; L281-L305 HydrophobicContact CD2-CB 3.77Å; L281-L305 HydrophobicContact CD2-CD1 3.98Å; L281-L305 HydrophobicContact CG-CB 4.15Å; L281-L305 HydrophobicContact CG-CD1 4.3Å; L281-L309 HydrophobicContact CD1-CD2 3.83Å |
| 282 | V | 95.8 | Very high | 94.8 | Very high | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.406 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | T278 F279 L280 L284 I285 F286 | T278-V282 WeakPolarHBondContact O-CG2 3.46Å; T278-V282 PolarHBondContact O-N 3.43Å; F279-V282 PolarHBondContact O-N 2.93Å; L280-V282 VanDerWaalsContact C-N 3.34Å; L280-V282 PolarHBondContact O-N 3.4Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.39Å; V282-I285 WeakPolarHBondContact O-CB 3.38Å; V282-I285 PolarHBondContact O-N 3.37Å; V282-F286 HydrophobicContact CG1-CE2 4.05Å; V282-F286 WeakPolarHBondContact O-CD2 3.5Å; V282-F286 WeakPolarHBondContact O-CE2 3.38Å |
| 283 | I | 94.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 31% | 0.308 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 174.9 | -74.4 | 169.1 | 0 | 0 | 0 | 111 | F279 L280 L281 I285 F286 F287 | F279-I283 HydrophobicContact CD1-CD1 3.63Å; F279-I283 HydrophobicContact CD1-CG1 4.5Å; F279-I283 HydrophobicContact CE1-CD1 3.21Å; F279-I283 HydrophobicContact CE1-CG1 4.2Å; F279-I283 HydrophobicContact CE2-CD1 4.39Å; F279-I283 HydrophobicContact CG-CD1 4.39Å; F279-I283 HydrophobicContact CZ-CD1 3.64Å; F279-I283 HydrophobicContact CZ-CG1 4.23Å; F279-I283 WeakPolarHBondContact O-CG1 3.48Å; F279-I283 PolarHBondContact O-N 2.94Å; L280-I283 WeakPolarHBondContact O-CB 3.41Å; L280-I283 PolarHBondContact O-N 2.83Å; L281-I283 VanDerWaalsContact C-N 3.34Å; L281-I283 PolarHBondContact O-N 3.29Å; I283-I285 PolarHBondContact O-N 3.32Å; I283-F286 PolarHBondContact O-N 2.69Å; I283-F287 HydrophobicContact CG2-CD2 3.93Å; I283-F287 HydrophobicContact CG2-CE2 3.46Å; I283-F287 VanDerWaalsContact CG2-CE2 3.46Å; I283-F287 WeakPolarHBondContact O-CD2 3.16Å |
| 284 | L | 93.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 93.7 Ų | 93.7 | 12% | 0.12 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -61 | -27.8 | -179.4 | -72 | 169.1 | 0 | 0 | 0 | 112.9 | L280 L281 V282 F286 F287 K298 F301 E302 L305 | L280-L284 HydrophobicContact CG-CD1 4.39Å; L280-L284 WeakPolarHBondContact O-CG 3.49Å; L280-L284 PolarHBondContact O-N 3.34Å; L281-L284 HydrophobicContact CD2-CD1 4.48Å; L281-L284 PolarHBondContact O-N 2.96Å; V282-L284 VanDerWaalsContact C-N 3.34Å; V282-L284 PolarHBondContact O-N 3.39Å; L284-F286 PolarHBondContact O-N 2.81Å; L284-F287 PolarHBondContact O-N 3.17Å; L284-F287 VanDerWaalsContact O-N 3.1Å; L284-K298 WeakPolarHBondContact O-CE 3.5Å; L284-K298 PolarHBondContact O-NZ 2.99Å; L284-F301 HydrophobicContact CD1-CD1 3.82Å; L284-F301 HydrophobicContact CD1-CE1 3.79Å; L284-E302 HydrophobicContact CD1-CG 4.2Å; L284-L305 HydrophobicContact CD1-CD1 3.73Å |
| 285 | I | 91.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 95.5 Ų | 95.5 | 54% | 0.544 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.2 | -35.5 | 173.8 | -64.5 | 170 | 0 | 0 | 0 | 111.2 | L281 V282 I283 F287 | L281-I285 WeakPolarHBondContact O-CG1 3.36Å; L281-I285 PolarHBondContact O-N 3.46Å; V282-I285 WeakPolarHBondContact O-CB 3.38Å; V282-I285 PolarHBondContact O-N 3.37Å; I283-I285 PolarHBondContact O-N 3.32Å; I285-F287 VanDerWaalsContact C-N 3.33Å |
| 286 | F | 92.6 | Very high | 94.2 | Very high | 148 Ų | 148 | 94.7 Ų | 94.7 | 65% | 0.649 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -8.7 | -178.3 | -59.2 | -75.6 | 0 | 0 | 0 | 114 | V282 I283 L284 | V282-F286 HydrophobicContact CG1-CE2 4.05Å; V282-F286 WeakPolarHBondContact O-CD2 3.5Å; V282-F286 WeakPolarHBondContact O-CE2 3.38Å; I283-F286 PolarHBondContact O-N 2.69Å; L284-F286 PolarHBondContact O-N 2.81Å |
| 287 | F | 89.6 | Confident | 94 | Very high | 131 Ų | 131 | 94.9 Ų | 94.9 | 58% | 0.575 | 46% | 0.46 | S | S | * | . | trans | -91.2 | 113 | 176.4 | -78.5 | -79 | 0 | 0 | 0 | 111.1 | I283 L284 I285 K298 | I283-F287 HydrophobicContact CG2-CD2 3.93Å; I283-F287 HydrophobicContact CG2-CE2 3.46Å; I283-F287 VanDerWaalsContact CG2-CE2 3.46Å; I283-F287 WeakPolarHBondContact O-CD2 3.16Å; L284-F287 PolarHBondContact O-N 3.17Å; L284-F287 VanDerWaalsContact O-N 3.1Å; I285-F287 VanDerWaalsContact C-N 3.33Å; F287-K298 WeakPolarHBondContact O-CE 3.47Å; F287-K298 PolarHBondContact O-NZ 3.16Å | ||
| 288 | Y | 88.6 | Confident | 93.9 | Very high | 195 Ų | 195 | 96 Ų | 96 | 77% | 0.765 | 46% | 0.464 | S | S | * | . | trans | -92.7 | 122 | 175.1 | -66.8 | -86.2 | 0 | 0 | 0 | 110.2 | ||||
| 289 | P | 90.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 96 Ų | 96 | 33% | 0.331 | 47% | 0.466 | S | S | . | . | trans | -67.7 | 142.3 | 176.2 | 28.3 | -34.2 | 0 | 0 | 0 | 110.9 | S295 | P289-S295 WeakPolarHBondContact CB-OG 3.37Å; P289-S295 WeakPolarHBondContact CG-OG 3.28Å | ||
| 290 | N | 91.3 | Very high | 93.7 | Very high | 166 Ų | 166 | 94.6 Ų | 94.6 | 89% | 0.888 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -81.9 | -22.3 | -177.2 | -68.4 | -31.1 | 0 | 0 | 0 | 113 | ||
| 291 | D | 94 | Very high | 93.7 | Very high | 73 Ų | 73 | 95.9 Ų | 95.9 | 39% | 0.39 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -145.4 | 169 | -174.6 | 70.2 | 85.9 | 0 | 0 | 0 | 111.5 | F293 T294 S295 | D291-F293 VanDerWaalsContact C-N 3.32Å; D291-F293 PolarHBondContact O-N 2.83Å; D291-F293 WeakPolarHBondContact OD1-CA 3.31Å; D291-F293 VanDerWaalsContact OD1-CB 3.24Å; D291-F293 WeakPolarHBondContact OD1-CB 3.25Å; D291-F293 PolarHBondContact OD1-N 3.08Å; D291-T294 PolarHBondContact N-OG1 3.17Å; D291-T294 PolarHBondContact O-OG1 3.46Å; D291-T294 PolarHBondContact OD1-N 2.97Å; D291-T294 PolarHBondContact OD1-OG1 2.98Å; D291-T294 WeakPolarHBondContact OD2-CB 3.29Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.49Å; D291-T294 PolarHBondContact OD2-OG1 3.1Å; D291-S295 WeakPolarHBondContact O-CB 3.47Å; D291-S295 PolarHBondContact O-N 2.75Å; D291-S295 PolarHBondContact O-OG 3.37Å |
| 292 | R | 94.1 | Very high | 93.7 | Very high | 222 Ų | 222 | 96.9 Ų | 96.9 | 84% | 0.838 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.8 | -35.9 | -176.9 | -67.9 | -177.2 | -179.4 | 154.2 | 0.1 | 112.8 | S295 I296 | R292-S295 WeakPolarHBondContact O-CB 3.4Å; R292-S295 PolarHBondContact O-N 2.94Å; R292-I296 WeakPolarHBondContact O-CG1 3.45Å; R292-I296 PolarHBondContact O-N 3.42Å |
| 293 | F | 94.7 | Very high | 93.7 | Very high | 144 Ų | 144 | 98.1 Ų | 98.1 | 63% | 0.632 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.4 | -45.9 | -178.3 | 178.3 | -104.1 | 0 | 0 | 0 | 110.9 | D291 S295 I296 I297 | D291-F293 VanDerWaalsContact C-N 3.32Å; D291-F293 PolarHBondContact O-N 2.83Å; D291-F293 WeakPolarHBondContact OD1-CA 3.31Å; D291-F293 VanDerWaalsContact OD1-CB 3.24Å; D291-F293 WeakPolarHBondContact OD1-CB 3.25Å; D291-F293 PolarHBondContact OD1-N 3.08Å; F293-S295 PolarHBondContact O-N 3.31Å; F293-I296 PolarHBondContact O-N 3.08Å; F293-I297 HydrophobicContact CD1-CD1 3.76Å; F293-I297 HydrophobicContact CE1-CD1 3.24Å; F293-I297 HydrophobicContact CE1-CG1 4.36Å; F293-I297 HydrophobicContact CE2-CD1 4.19Å; F293-I297 HydrophobicContact CG-CD1 4.43Å; F293-I297 HydrophobicContact CZ-CD1 3.5Å; F293-I297 HydrophobicContact CZ-CG1 4.34Å; F293-I297 PolarHBondContact O-N 2.92Å |
| 294 | T | 93.6 | Very high | 93.8 | Very high | 54 Ų | 54 | 99.7 Ų | 99.7 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -33.1 | 172.6 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | D291 K298 | D291-T294 PolarHBondContact N-OG1 3.17Å; D291-T294 PolarHBondContact O-OG1 3.46Å; D291-T294 PolarHBondContact OD1-N 2.97Å; D291-T294 PolarHBondContact OD1-OG1 2.98Å; D291-T294 WeakPolarHBondContact OD2-CB 3.29Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.49Å; D291-T294 PolarHBondContact OD2-OG1 3.1Å; T294-K298 VanDerWaalsContact O-CB 3.31Å; T294-K298 WeakPolarHBondContact O-CB 3.24Å; T294-K298 PolarHBondContact O-N 3.4Å |
| 295 | S | 94.5 | Very high | 94 | Very high | 44 Ų | 44 | 99.2 Ų | 99.2 | 31% | 0.308 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 173.3 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | P289 D291 R292 F293 K298 C299 | P289-S295 WeakPolarHBondContact CB-OG 3.37Å; P289-S295 WeakPolarHBondContact CG-OG 3.28Å; D291-S295 WeakPolarHBondContact O-CB 3.47Å; D291-S295 PolarHBondContact O-N 2.75Å; D291-S295 PolarHBondContact O-OG 3.37Å; R292-S295 WeakPolarHBondContact O-CB 3.4Å; R292-S295 PolarHBondContact O-N 2.94Å; F293-S295 PolarHBondContact O-N 3.31Å; S295-K298 PolarHBondContact O-N 2.75Å; S295-C299 WeakPolarHBondContact O-CB 3.37Å; S295-C299 PolarHBondContact O-N 3.23Å |
| 296 | I | 95.6 | Very high | 94.3 | Very high | 101 Ų | 101 | 95.7 Ų | 95.7 | 52% | 0.518 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 178.7 | -68.2 | 164.3 | 0 | 0 | 0 | 110.4 | R292 F293 K298 C299 L300 | R292-I296 WeakPolarHBondContact O-CG1 3.45Å; R292-I296 PolarHBondContact O-N 3.42Å; F293-I296 PolarHBondContact O-N 3.08Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 3.26Å; I296-C299 PolarHBondContact O-N 2.83Å; I296-L300 HydrophobicContact CG2-CD1 4.09Å; I296-L300 HydrophobicContact CG2-CG 4.45Å; I296-L300 WeakPolarHBondContact O-CG 3.49Å; I296-L300 PolarHBondContact O-N 3.36Å |
| 297 | I | 94.8 | Very high | 94.4 | Very high | 86 Ų | 86 | 93.4 Ų | 93.4 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 178 | -70.5 | 173.7 | 0 | 0 | 0 | 110.9 | F293 C299 L300 F301 | F293-I297 HydrophobicContact CD1-CD1 3.76Å; F293-I297 HydrophobicContact CE1-CD1 3.24Å; F293-I297 HydrophobicContact CE1-CG1 4.36Å; F293-I297 HydrophobicContact CE2-CD1 4.19Å; F293-I297 HydrophobicContact CG-CD1 4.43Å; F293-I297 HydrophobicContact CZ-CD1 3.5Å; F293-I297 HydrophobicContact CZ-CG1 4.34Å; F293-I297 PolarHBondContact O-N 2.92Å; I297-C299 VanDerWaalsContact C-N 3.34Å; I297-C299 PolarHBondContact O-N 2.97Å; I297-L300 PolarHBondContact O-N 3Å; I297-F301 WeakPolarHBondContact O-CB 3.43Å; I297-F301 PolarHBondContact O-N 2.91Å |
| 298 | K | 94.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 90.4 Ų | 90.4 | 18% | 0.178 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 177.8 | -172.9 | -166.1 | -177.7 | -145.4 | 0 | 111.2 | L284 F287 T294 S295 I296 L300 F301 E302 | L284-K298 WeakPolarHBondContact O-CE 3.5Å; L284-K298 PolarHBondContact O-NZ 2.99Å; F287-K298 WeakPolarHBondContact O-CE 3.47Å; F287-K298 PolarHBondContact O-NZ 3.16Å; T294-K298 VanDerWaalsContact O-CB 3.31Å; T294-K298 WeakPolarHBondContact O-CB 3.24Å; T294-K298 PolarHBondContact O-N 3.4Å; S295-K298 PolarHBondContact O-N 2.75Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 3.26Å; K298-L300 PolarHBondContact O-N 2.95Å; K298-F301 WeakPolarHBondContact O-CB 3.3Å; K298-F301 PolarHBondContact O-N 3.44Å; K298-E302 WeakPolarHBondContact CE-OE1 3.49Å; K298-E302 IonicContact NZ-OE1 3.9Å; K298-E302 PolarHBondContact NZ-OE1 2.86Å; K298-E302 VanDerWaalsContact NZ-OE1 3.14Å; K298-E302 WeakPolarHBondContact O-CG 3.27Å; K298-E302 PolarHBondContact O-N 3.42Å |
| 299 | C | 94.9 | Very high | 95.2 | Very high | 63 Ų | 63 | 82.3 Ų | 82.3 | 43% | 0.426 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 178.8 | -177.7 | 0 | 0 | 0 | 0 | 111.9 | S295 I296 I297 F301 E302 I303 | S295-C299 WeakPolarHBondContact O-CB 3.37Å; S295-C299 PolarHBondContact O-N 3.23Å; I296-C299 PolarHBondContact O-N 2.83Å; I297-C299 VanDerWaalsContact C-N 3.34Å; I297-C299 PolarHBondContact O-N 2.97Å; C299-F301 VanDerWaalsContact C-N 3.3Å; C299-F301 PolarHBondContact O-N 2.77Å; C299-E302 PolarHBondContact O-N 3.35Å; C299-I303 VanDerWaalsContact O-CG1 3.27Å; C299-I303 WeakPolarHBondContact O-CG1 3.37Å; C299-I303 PolarHBondContact O-N 3.16Å |
| 300 | L | 96.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 86.1 Ų | 86.1 | 57% | 0.571 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 175.9 | -69 | 174.5 | 0 | 0 | 0 | 112.1 | I296 I297 K298 I303 L304 | I296-L300 HydrophobicContact CG2-CD1 4.09Å; I296-L300 HydrophobicContact CG2-CG 4.45Å; I296-L300 WeakPolarHBondContact O-CG 3.49Å; I296-L300 PolarHBondContact O-N 3.36Å; I297-L300 PolarHBondContact O-N 3Å; K298-L300 PolarHBondContact O-N 2.95Å; L300-I303 PolarHBondContact O-N 3.46Å; L300-L304 PolarHBondContact O-N 3.48Å |
| 301 | F | 96 | Very high | 95.6 | Very high | 92 Ų | 92 | 81 Ų | 81 | 40% | 0.404 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.9 | -175.3 | -116.7 | 0 | 0 | 0 | 112.5 | L280 L284 I297 K298 C299 I303 L304 L305 | L280-F301 HydrophobicContact CD2-CZ 4.49Å; L284-F301 HydrophobicContact CD1-CD1 3.82Å; L284-F301 HydrophobicContact CD1-CE1 3.79Å; I297-F301 WeakPolarHBondContact O-CB 3.43Å; I297-F301 PolarHBondContact O-N 2.91Å; K298-F301 WeakPolarHBondContact O-CB 3.3Å; K298-F301 PolarHBondContact O-N 3.44Å; C299-F301 VanDerWaalsContact C-N 3.3Å; C299-F301 PolarHBondContact O-N 2.77Å; F301-I303 PolarHBondContact O-N 2.98Å; F301-L304 PolarHBondContact O-N 2.82Å; F301-L305 HydrophobicContact CD1-CD1 3.98Å; F301-L305 HydrophobicContact CE1-CD1 3.52Å; F301-L305 HydrophobicContact CE1-CG 4.21Å; F301-L305 HydrophobicContact CE2-CD1 4.45Å; F301-L305 HydrophobicContact CE2-CD2 4.47Å; F301-L305 HydrophobicContact CE2-CG 4.29Å; F301-L305 HydrophobicContact CZ-CD1 3.78Å; F301-L305 HydrophobicContact CZ-CD2 4.26Å; F301-L305 HydrophobicContact CZ-CG 4.07Å; F301-L305 WeakPolarHBondContact O-CG 3.38Å; F301-L305 PolarHBondContact O-N 3.49Å |
| 302 | E | 96.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 78.7 Ų | 78.7 | 27% | 0.271 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.6 | -73.5 | 171.3 | 171.3 | 0 | 0 | 111.7 | L281 L284 K298 C299 L305 G306 | L281-E302 HydrophobicContact CD2-CB 4.38Å; L281-E302 HydrophobicContact CD2-CG 4.38Å; L284-E302 HydrophobicContact CD1-CG 4.2Å; K298-E302 WeakPolarHBondContact CE-OE1 3.49Å; K298-E302 IonicContact NZ-OE1 3.9Å; K298-E302 PolarHBondContact NZ-OE1 2.86Å; K298-E302 VanDerWaalsContact NZ-OE1 3.14Å; K298-E302 WeakPolarHBondContact O-CG 3.27Å; K298-E302 PolarHBondContact O-N 3.42Å; C299-E302 PolarHBondContact O-N 3.35Å; E302-L305 PolarHBondContact O-N 2.96Å; E302-G306 PolarHBondContact O-N 3.4Å |
| 303 | I | 96.6 | Very high | 95.8 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 174.9 | -69.8 | 165.5 | 0 | 0 | 0 | 110.4 | C299 L300 F301 G306 I307 | C299-I303 VanDerWaalsContact O-CG1 3.27Å; C299-I303 WeakPolarHBondContact O-CG1 3.37Å; C299-I303 PolarHBondContact O-N 3.16Å; L300-I303 PolarHBondContact O-N 3.46Å; F301-I303 PolarHBondContact O-N 2.98Å; I303-G306 PolarHBondContact O-N 3.31Å; I303-I307 HydrophobicContact CG2-CD1 4.01Å; I303-I307 WeakPolarHBondContact O-CG1 3.35Å; I303-I307 PolarHBondContact O-N 2.83Å |
| 304 | L | 96.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 68.3 Ų | 68.3 | 49% | 0.487 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 178.6 | 178.6 | 62.3 | 0 | 0 | 0 | 111.7 | L300 F301 G306 I307 I308 | L300-L304 PolarHBondContact O-N 3.48Å; F301-L304 PolarHBondContact O-N 2.82Å; L304-G306 VanDerWaalsContact C-N 3.29Å; L304-G306 PolarHBondContact O-N 2.91Å; L304-I307 PolarHBondContact O-N 3.47Å; L304-I308 HydrophobicContact CD1-CD1 4.28Å; L304-I308 HydrophobicContact CG-CD1 4.09Å; L304-I308 WeakPolarHBondContact O-CG1 3.26Å; L304-I308 PolarHBondContact O-N 3.44Å |
| 305 | L | 97.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 175.6 | -74.3 | -178.7 | 0 | 0 | 0 | 111.9 | I277 L280 L281 L284 F301 E302 I308 L309 | I277-L305 HydrophobicContact CG2-CB 4.19Å; I277-L305 HydrophobicContact CG2-CD2 4.22Å; L280-L305 HydrophobicContact CD2-CD1 3.7Å; L280-L305 HydrophobicContact CD2-CD2 4.24Å; L280-L305 HydrophobicContact CG-CD1 4.08Å; L281-L305 HydrophobicContact CD1-CB 4.4Å; L281-L305 HydrophobicContact CD2-CB 3.77Å; L281-L305 HydrophobicContact CD2-CD1 3.98Å; L281-L305 HydrophobicContact CG-CB 4.15Å; L281-L305 HydrophobicContact CG-CD1 4.3Å; L284-L305 HydrophobicContact CD1-CD1 3.73Å; F301-L305 HydrophobicContact CD1-CD1 3.98Å; F301-L305 HydrophobicContact CE1-CD1 3.52Å; F301-L305 HydrophobicContact CE1-CG 4.21Å; F301-L305 HydrophobicContact CE2-CD1 4.45Å; F301-L305 HydrophobicContact CE2-CD2 4.47Å; F301-L305 HydrophobicContact CE2-CG 4.29Å; F301-L305 HydrophobicContact CZ-CD1 3.78Å; F301-L305 HydrophobicContact CZ-CD2 4.26Å; F301-L305 HydrophobicContact CZ-CG 4.07Å; F301-L305 WeakPolarHBondContact O-CG 3.38Å; F301-L305 PolarHBondContact O-N 3.49Å; E302-L305 PolarHBondContact O-N 2.96Å; L305-I308 PolarHBondContact O-N 3.1Å; L305-L309 VanDerWaalsContact O-CB 3.26Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 PolarHBondContact O-N 3.2Å |
| 306 | G | 97.3 | Very high | 95.8 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 33% | 0.33 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E302 I303 L304 L309 F310 | E302-G306 PolarHBondContact O-N 3.4Å; I303-G306 PolarHBondContact O-N 3.31Å; L304-G306 VanDerWaalsContact C-N 3.29Å; L304-G306 PolarHBondContact O-N 2.91Å; G306-L309 PolarHBondContact O-N 3.46Å; G306-F310 WeakPolarHBondContact O-CB 3.36Å; G306-F310 PolarHBondContact O-N 3.44Å |
| 307 | I | 96 | Very high | 95.7 | Very high | 100 Ų | 100 | 63.6 Ų | 63.6 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 175.5 | -67.4 | 165.4 | 0 | 0 | 0 | 111 | I303 L304 F310 S311 | I303-I307 HydrophobicContact CG2-CD1 4.01Å; I303-I307 WeakPolarHBondContact O-CG1 3.35Å; I303-I307 PolarHBondContact O-N 2.83Å; L304-I307 PolarHBondContact O-N 3.47Å; I307-F310 PolarHBondContact O-N 3.4Å; I307-S311 WeakPolarHBondContact O-CB 3.5Å; I307-S311 PolarHBondContact O-N 2.89Å; I307-S311 PolarHBondContact O-OG 3.06Å |
| 308 | I | 96.1 | Very high | 95.7 | Very high | 67 Ų | 67 | 63 Ų | 63 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 177.4 | -64.8 | 167.4 | 0 | 0 | 0 | 110.1 | I277 L304 L305 F310 S311 L312 | I277-I308 HydrophobicContact CD1-CB 4.43Å; I277-I308 HydrophobicContact CD1-CG2 3.57Å; L304-I308 HydrophobicContact CD1-CD1 4.28Å; L304-I308 HydrophobicContact CG-CD1 4.09Å; L304-I308 WeakPolarHBondContact O-CG1 3.26Å; L304-I308 PolarHBondContact O-N 3.44Å; L305-I308 PolarHBondContact O-N 3.1Å; I308-F310 PolarHBondContact O-N 3.1Å; I308-S311 WeakPolarHBondContact O-CB 3.28Å; I308-S311 PolarHBondContact O-N 2.83Å; I308-S311 VanDerWaalsContact O-N 3.16Å; I308-L312 HydrophobicContact CG2-CD1 4Å; I308-L312 HydrophobicContact CG2-CG 4.36Å; I308-L312 WeakPolarHBondContact O-CG 3.15Å; I308-L312 PolarHBondContact O-N 3.47Å |
| 309 | L | 97.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 62 Ų | 62 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 177.9 | 178.7 | 60.5 | 0 | 0 | 0 | 111.3 | A274 I277 T278 L281 L305 G306 S311 L312 I313 | A274-L309 HydrophobicContact CB-CD1 3.7Å; A274-L309 VanDerWaalsContact O-CD1 3.26Å; A274-L309 WeakPolarHBondContact O-CD1 3.26Å; I277-L309 HydrophobicContact CB-CD1 4.48Å; I277-L309 HydrophobicContact CG2-CB 3.95Å; I277-L309 HydrophobicContact CG2-CD1 4.44Å; T278-L309 WeakPolarHBondContact OG1-CD1 3.35Å; L281-L309 HydrophobicContact CD1-CD2 3.83Å; L305-L309 VanDerWaalsContact O-CB 3.26Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 PolarHBondContact O-N 3.2Å; G306-L309 PolarHBondContact O-N 3.46Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.36Å; L309-L312 PolarHBondContact O-N 2.92Å; L309-I313 HydrophobicContact CD1-CD1 3.76Å; L309-I313 HydrophobicContact CD1-CG1 4.19Å; L309-I313 HydrophobicContact CG-CD1 3.9Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.19Å |
| 310 | F | 96 | Very high | 95.7 | Very high | 131 Ų | 131 | 60.1 Ų | 60.1 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56.7 | -47.2 | 175.5 | 172.9 | -97.4 | 0 | 0 | 0 | 111.1 | G306 I307 I308 L312 I313 W314 | G306-F310 WeakPolarHBondContact O-CB 3.36Å; G306-F310 PolarHBondContact O-N 3.44Å; I307-F310 PolarHBondContact O-N 3.4Å; I308-F310 PolarHBondContact O-N 3.1Å; F310-L312 VanDerWaalsContact C-N 3.34Å; F310-L312 PolarHBondContact O-N 3.37Å; F310-I313 PolarHBondContact O-N 3.29Å; F310-W314 HydrophobicContact CE1-CB 4.24Å; F310-W314 HydrophobicContact CE1-CG 4.35Å; F310-W314 HydrophobicContact CE2-CB 4.42Å; F310-W314 HydrophobicContact CZ-CB 4.15Å; F310-W314 AromaticContact CZ-CD1 3.74Å; F310-W314 HydrophobicContact CZ-CG 4.11Å; F310-W314 WeakPolarHBondContact O-CB 3.31Å; F310-W314 PolarHBondContact O-N 2.87Å |
| 311 | S | 94.7 | Very high | 95.6 | Very high | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | -179 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | I307 I308 L309 G315 | I307-S311 WeakPolarHBondContact O-CB 3.5Å; I307-S311 PolarHBondContact O-N 2.89Å; I307-S311 PolarHBondContact O-OG 3.06Å; I308-S311 WeakPolarHBondContact O-CB 3.28Å; I308-S311 PolarHBondContact O-N 2.83Å; I308-S311 VanDerWaalsContact O-N 3.16Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.36Å; S311-G315 WeakPolarHBondContact O-CA 3.32Å; S311-G315 PolarHBondContact O-N 3.08Å |
| 312 | L | 96.2 | Very high | 95.6 | Very high | 25 Ų | 25 | 57.6 Ų | 57.6 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | 176.2 | -70.1 | 170.5 | 0 | 0 | 0 | 111.8 | H270 W273 A274 I277 I308 L309 F310 S316 | H270-L312 HydrophobicContact CB-CD2 4.1Å; W273-L312 HydrophobicContact CB-CD1 3.8Å; A274-L312 HydrophobicContact CB-CB 4.21Å; I277-L312 HydrophobicContact CD1-CD1 3.64Å; I308-L312 HydrophobicContact CG2-CD1 4Å; I308-L312 HydrophobicContact CG2-CG 4.36Å; I308-L312 WeakPolarHBondContact O-CG 3.15Å; I308-L312 PolarHBondContact O-N 3.47Å; L309-L312 PolarHBondContact O-N 2.92Å; F310-L312 VanDerWaalsContact C-N 3.34Å; F310-L312 PolarHBondContact O-N 3.37Å; L312-S316 WeakPolarHBondContact O-CB 3.4Å; L312-S316 PolarHBondContact O-N 3.24Å |
| 313 | I | 95.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 33% | 0.333 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65 | -52 | 179.3 | -68 | 173.2 | 0 | 0 | 0 | 110.2 | A274 L309 F310 G315 S316 L317 | A274-I313 HydrophobicContact CB-CG1 3.94Å; L309-I313 HydrophobicContact CD1-CD1 3.76Å; L309-I313 HydrophobicContact CD1-CG1 4.19Å; L309-I313 HydrophobicContact CG-CD1 3.9Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.19Å; F310-I313 PolarHBondContact O-N 3.29Å; I313-G315 PolarHBondContact O-N 3.38Å; I313-S316 PolarHBondContact O-N 3.02Å; I313-L317 HydrophobicContact CG2-CD1 3.65Å; I313-L317 HydrophobicContact CG2-CG 4.19Å; I313-L317 WeakPolarHBondContact O-CB 3.44Å; I313-L317 WeakPolarHBondContact O-CG 3.39Å; I313-L317 PolarHBondContact O-N 3.5Å |
| 314 | W | 95.2 | Very high | 95.7 | Very high | 83 Ų | 83 | 54 Ų | 54 | 31% | 0.314 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 179.8 | -175 | 99.6 | 0 | 0 | 0 | 111 | P23 F310 S316 L317 I318 G319 | P23-W314 HydrophobicContact CG-CH2 4.35Å; P23-W314 HydrophobicContact CG-CZ3 3.72Å; F310-W314 HydrophobicContact CE1-CB 4.24Å; F310-W314 HydrophobicContact CE1-CG 4.35Å; F310-W314 HydrophobicContact CE2-CB 4.42Å; F310-W314 HydrophobicContact CZ-CB 4.15Å; F310-W314 AromaticContact CZ-CD1 3.74Å; F310-W314 HydrophobicContact CZ-CG 4.11Å; F310-W314 WeakPolarHBondContact O-CB 3.31Å; F310-W314 PolarHBondContact O-N 2.87Å; W314-S316 VanDerWaalsContact C-N 3.27Å; W314-S316 PolarHBondContact O-N 3.47Å; W314-L317 PolarHBondContact O-N 3.12Å; W314-I318 HydrophobicContact CD2-CB 4.42Å; W314-I318 HydrophobicContact CD2-CD1 4.44Å; W314-I318 HydrophobicContact CG-CD1 4.18Å; W314-I318 HydrophobicContact CH2-CG2 4.37Å; W314-I318 HydrophobicContact CZ2-CB 4.43Å; W314-I318 HydrophobicContact CZ2-CG2 3.96Å; W314-I318 VanDerWaalsContact NE1-CD1 3.34Å; W314-I318 WeakPolarHBondContact O-CB 3.49Å; W314-I318 PolarHBondContact O-N 3.01Å; W314-G319 PolarHBondContact O-N 3.33Å |
| 315 | G | 93.7 | Very high | 95.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -61.1 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S311 I313 G319 R320 | S311-G315 WeakPolarHBondContact O-CA 3.32Å; S311-G315 PolarHBondContact O-N 3.08Å; I313-G315 PolarHBondContact O-N 3.38Å; G315-G319 CarbonylContact O-C 3.47Å; G315-G319 VanDerWaalsContact O-CA 3.25Å; G315-G319 WeakPolarHBondContact O-CA 3.5Å; G315-G319 PolarHBondContact O-N 3.41Å; G315-R320 WeakPolarHBondContact O-CG 3.34Å; G315-R320 PolarHBondContact O-N 3.43Å |
| 316 | S | 94.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -77.1 | -44.1 | 178.8 | -173.9 | 0 | 0 | 0 | 0 | 113.5 | R267 L271 L312 I313 W314 R320 | R267-S316 WeakPolarHBondContact CG-OG 3.37Å; R267-S316 PolarHBondContact O-OG 2.97Å; L271-S316 WeakPolarHBondContact CD2-OG 3.34Å; L271-S316 VanDerWaalsContact CG-OG 3.29Å; L271-S316 WeakPolarHBondContact CG-OG 3.27Å; L312-S316 WeakPolarHBondContact O-CB 3.4Å; L312-S316 PolarHBondContact O-N 3.24Å; I313-S316 PolarHBondContact O-N 3.02Å; W314-S316 VanDerWaalsContact C-N 3.27Å; W314-S316 PolarHBondContact O-N 3.47Å; S316-R320 WeakPolarHBondContact O-CB 3.35Å |
| 317 | L | 93.8 | Very high | 95.8 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -80 | -40.4 | -175.4 | -65.5 | -176.2 | 0 | 0 | 0 | 112.4 | I313 W314 T321 | I313-L317 HydrophobicContact CG2-CD1 3.65Å; I313-L317 HydrophobicContact CG2-CG 4.19Å; I313-L317 WeakPolarHBondContact O-CB 3.44Å; I313-L317 WeakPolarHBondContact O-CG 3.39Å; I313-L317 PolarHBondContact O-N 3.5Å; W314-L317 PolarHBondContact O-N 3.12Å; L317-T321 VanDerWaalsContact O-CB 3.23Å; L317-T321 WeakPolarHBondContact O-CB 3.39Å; L317-T321 PolarHBondContact O-OG1 2.98Å |
| 318 | I | 93.6 | Very high | 95.9 | Very high | 75 Ų | 75 | 49.4 Ų | 49.4 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -100.2 | -59.1 | -176.6 | -64.3 | 167.2 | 0 | 0 | 0 | 109.6 | W314 T321 I322 | W314-I318 HydrophobicContact CD2-CB 4.42Å; W314-I318 HydrophobicContact CD2-CD1 4.44Å; W314-I318 HydrophobicContact CG-CD1 4.18Å; W314-I318 HydrophobicContact CH2-CG2 4.37Å; W314-I318 HydrophobicContact CZ2-CB 4.43Å; W314-I318 HydrophobicContact CZ2-CG2 3.96Å; W314-I318 VanDerWaalsContact NE1-CD1 3.34Å; W314-I318 WeakPolarHBondContact O-CB 3.49Å; W314-I318 PolarHBondContact O-N 3.01Å; I318-T321 PolarHBondContact O-N 3.28Å; I318-I322 HydrophobicContact CG2-CD1 3.92Å; I318-I322 WeakPolarHBondContact O-CG1 3.32Å; I318-I322 PolarHBondContact O-N 3.35Å |
| 319 | G | 94.2 | Very high | 96 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -55.7 | -58.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | W314 G315 T321 I322 E323 | W314-G319 PolarHBondContact O-N 3.33Å; G315-G319 CarbonylContact O-C 3.47Å; G315-G319 VanDerWaalsContact O-CA 3.25Å; G315-G319 WeakPolarHBondContact O-CA 3.5Å; G315-G319 PolarHBondContact O-N 3.41Å; G319-T321 PolarHBondContact O-N 3.22Å; G319-I322 PolarHBondContact O-N 2.7Å; G319-E323 PolarHBondContact O-N 2.91Å |
| 320 | R | 95.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.4 | -24.2 | 179.5 | -61.8 | -56.7 | -172.1 | 170.4 | -6.4 | 113.3 | Y22 C263 R267 G315 S316 E323 K324 | Y22-R320 VanDerWaalsContact CE1-CZ 3.42Å; Y22-R320 PolarHBondContact OH-NH1 2.83Å; C263-R320 PolarHBondContact SG-O 3.41Å; C263-R320 VanDerWaalsContact SG-O 3.4Å; R267-R320 HydrophobicContact CB-CB 4.2Å; R267-R320 HydrophobicContact CB-CG 4.07Å; R267-R320 HydrophobicContact CG-CB 4.33Å; G315-R320 WeakPolarHBondContact O-CG 3.34Å; G315-R320 PolarHBondContact O-N 3.43Å; S316-R320 WeakPolarHBondContact O-CB 3.35Å; R320-E323 WeakPolarHBondContact CD-OE2 3.42Å; R320-E323 IonicContact CZ-OE2 2.7Å; R320-E323 IonicContact NE-OE2 2.96Å; R320-E323 IonicContact NH1-OE1 3.14Å; R320-E323 PolarHBondContact NH1-OE1 2.91Å; R320-E323 IonicContact NH1-OE2 3.59Å; R320-E323 PolarHBondContact NH1-OE2 3.49Å; R320-K324 WeakPolarHBondContact O-CB 3.49Å; R320-K324 PolarHBondContact O-N 2.98Å |
| 321 | T | 95.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.9 | -42.5 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | R267 L317 I318 G319 S325 | R267-T321 PolarHBondContact NH1-OG1 2.85Å; L317-T321 VanDerWaalsContact O-CB 3.23Å; L317-T321 WeakPolarHBondContact O-CB 3.39Å; L317-T321 PolarHBondContact O-OG1 2.98Å; I318-T321 PolarHBondContact O-N 3.28Å; G319-T321 PolarHBondContact O-N 3.22Å; T321-S325 PolarHBondContact O-N 3.49Å |
| 322 | I | 95.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 47.9 Ų | 47.9 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -47.8 | 174.7 | -64.7 | 167.4 | 0 | 0 | 0 | 110.3 | T18 I318 G319 K324 S325 G326 | T18-I322 HydrophobicContact CG2-CG2 4Å; T18-I322 WeakPolarHBondContact O-CG2 3.28Å; I318-I322 HydrophobicContact CG2-CD1 3.92Å; I318-I322 WeakPolarHBondContact O-CG1 3.32Å; I318-I322 PolarHBondContact O-N 3.35Å; G319-I322 PolarHBondContact O-N 2.7Å; I322-K324 PolarHBondContact O-N 3.29Å; I322-S325 WeakPolarHBondContact O-CB 3.42Å; I322-S325 PolarHBondContact O-N 3.27Å; I322-S325 VanDerWaalsContact O-N 3.11Å; I322-G326 PolarHBondContact O-N 3.45Å |
| 323 | E | 96.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.6 | -49.9 | 176.6 | -179 | -171.1 | 164.3 | 0 | 0 | 111.7 | Y22 H73 C263 G319 R320 S325 G326 L327 | Y22-E323 WeakPolarHBondContact CE1-OE2 3.45Å; Y22-E323 PolarHBondContact OH-OE1 2.89Å; H73-E323 IonicContact NE2-OE1 3.81Å; H73-E323 PolarHBondContact NE2-OE1 2.9Å; C263-E323 HydrophobicContact CB-CG 4.27Å; C263-E323 VanDerWaalsContact CB-OE1 3.24Å; C263-E323 WeakPolarHBondContact CB-OE1 3.39Å; C263-E323 VanDerWaalsContact SG-CD 3.56Å; G319-E323 PolarHBondContact O-N 2.91Å; R320-E323 WeakPolarHBondContact CD-OE2 3.42Å; R320-E323 IonicContact CZ-OE2 2.7Å; R320-E323 IonicContact NE-OE2 2.96Å; R320-E323 IonicContact NH1-OE1 3.14Å; R320-E323 PolarHBondContact NH1-OE1 2.91Å; R320-E323 IonicContact NH1-OE2 3.59Å; R320-E323 PolarHBondContact NH1-OE2 3.49Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 3.07Å; E323-G326 PolarHBondContact O-N 3.25Å; E323-L327 HydrophobicContact CG-CD1 4.02Å; E323-L327 WeakPolarHBondContact O-CG 3.32Å; E323-L327 PolarHBondContact O-N 3.46Å |
| 324 | K | 97.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 30% | 0.3 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.7 | -45.1 | 175.8 | 180 | -178.8 | 176.4 | -175 | 0 | 111.3 | L260 L264 R320 I322 L327 Q328 | L260-K324 HydrophobicContact CD1-CG 3.82Å; L264-K324 HydrophobicContact CD2-CD 4.29Å; R320-K324 WeakPolarHBondContact O-CB 3.49Å; R320-K324 PolarHBondContact O-N 2.98Å; I322-K324 PolarHBondContact O-N 3.29Å; K324-L327 PolarHBondContact O-N 3.29Å; K324-Q328 HydrophobicContact CG-CG 4.27Å; K324-Q328 WeakPolarHBondContact O-CB 3.48Å; K324-Q328 VanDerWaalsContact O-CG 3.24Å; K324-Q328 WeakPolarHBondContact O-CG 3.44Å; K324-Q328 PolarHBondContact O-N 2.91Å |
| 325 | S | 97.5 | Very high | 96.5 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 179 | -169.6 | 0 | 0 | 0 | 0 | 112 | T321 I322 E323 Q328 N329 | T321-S325 PolarHBondContact O-N 3.49Å; I322-S325 WeakPolarHBondContact O-CB 3.42Å; I322-S325 PolarHBondContact O-N 3.27Å; I322-S325 VanDerWaalsContact O-N 3.11Å; E323-S325 VanDerWaalsContact C-N 3.29Å; E323-S325 PolarHBondContact O-N 3.07Å; S325-Q328 PolarHBondContact O-N 3.01Å; S325-N329 WeakPolarHBondContact O-CB 3.45Å; S325-N329 PolarHBondContact O-N 3.33Å; S325-N329 PolarHBondContact O-ND2 3.26Å |
| 326 | G | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S76 I322 E323 Q328 N329 A330 | S76-G326 PolarHBondContact OG-O 3.22Å; I322-G326 PolarHBondContact O-N 3.45Å; E323-G326 PolarHBondContact O-N 3.25Å; G326-Q328 VanDerWaalsContact C-N 3.33Å; G326-Q328 PolarHBondContact O-N 3.04Å; G326-N329 PolarHBondContact O-N 2.91Å; G326-A330 PolarHBondContact O-N 2.98Å |
| 327 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 178.5 | -66.9 | 168.1 | 0 | 0 | 0 | 112.4 | G72 L256 C263 E323 K324 A330 K331 | G72-L327 WeakPolarHBondContact O-CD2 3.29Å; L256-L327 HydrophobicContact CD2-CD2 4.08Å; C263-L327 HydrophobicContact CB-CD1 4.09Å; E323-L327 HydrophobicContact CG-CD1 4.02Å; E323-L327 WeakPolarHBondContact O-CG 3.32Å; E323-L327 PolarHBondContact O-N 3.46Å; K324-L327 PolarHBondContact O-N 3.29Å; L327-A330 PolarHBondContact O-N 2.97Å; L327-K331 WeakPolarHBondContact O-CG 3.03Å; L327-K331 PolarHBondContact O-N 3.02Å |
| 328 | Q | 98.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 45.7 Ų | 45.7 | 42% | 0.416 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.6 | -40 | 177.6 | -74.7 | -177 | -53.5 | 0 | 0 | 112.4 | L260 K324 S325 G326 A330 K331 H332 | L260-Q328 HydrophobicContact CD1-CG 4.31Å; L260-Q328 HydrophobicContact CD2-CG 4.49Å; K324-Q328 HydrophobicContact CG-CG 4.27Å; K324-Q328 WeakPolarHBondContact O-CB 3.48Å; K324-Q328 VanDerWaalsContact O-CG 3.24Å; K324-Q328 WeakPolarHBondContact O-CG 3.44Å; K324-Q328 PolarHBondContact O-N 2.91Å; S325-Q328 PolarHBondContact O-N 3.01Å; G326-Q328 VanDerWaalsContact C-N 3.33Å; G326-Q328 PolarHBondContact O-N 3.04Å; Q328-A330 VanDerWaalsContact C-N 3.35Å; Q328-K331 PolarHBondContact O-N 3.45Å; Q328-H332 WeakPolarHBondContact O-CB 3.18Å; Q328-H332 PolarHBondContact O-N 2.95Å |
| 329 | N | 98.1 | Very high | 96 | Very high | 90 Ų | 90 | 44.5 Ų | 44.5 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 175.9 | -71.5 | -15.9 | 0 | 0 | 0 | 111.4 | S325 G326 H332 S333 | S325-N329 WeakPolarHBondContact O-CB 3.45Å; S325-N329 PolarHBondContact O-N 3.33Å; S325-N329 PolarHBondContact O-ND2 3.26Å; G326-N329 PolarHBondContact O-N 2.91Å; N329-H332 PolarHBondContact O-N 3.02Å; N329-S333 PolarHBondContact O-N 3.47Å; N329-S333 PolarHBondContact O-OG 2.75Å |
| 330 | A | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V79 L256 G326 L327 Q328 H332 S333 I334 | V79-A330 HydrophobicContact CB-CB 4.12Å; V79-A330 HydrophobicContact CG1-CB 4.14Å; V79-A330 HydrophobicContact CG2-CB 4.45Å; L256-A330 HydrophobicContact CD1-CB 3.89Å; L256-A330 HydrophobicContact CD2-CB 3.79Å; G326-A330 PolarHBondContact O-N 2.98Å; L327-A330 PolarHBondContact O-N 2.97Å; Q328-A330 VanDerWaalsContact C-N 3.35Å; A330-H332 VanDerWaalsContact C-N 3.31Å; A330-H332 PolarHBondContact O-N 3.44Å; A330-S333 WeakPolarHBondContact O-CB 3.33Å; A330-S333 PolarHBondContact O-N 3.32Å; A330-S333 VanDerWaalsContact O-N 3.15Å; A330-I334 WeakPolarHBondContact O-CG1 3.01Å; A330-I334 PolarHBondContact O-N 3.14Å |
| 331 | K | 98.3 | Very high | 95 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 14% | 0.135 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.1 | -75 | -175.5 | 67 | 68.3 | 0 | 112.1 | D253 L256 T257 L260 L327 Q328 S333 I334 L335 | D253-K331 PolarHBondContact O-NZ 2.86Å; D253-K331 IonicContact OD1-NZ 2.73Å; D253-K331 PolarHBondContact OD1-NZ 3.48Å; D253-K331 IonicContact OD2-NZ 2.81Å; D253-K331 PolarHBondContact OD2-NZ 2.89Å; L256-K331 HydrophobicContact CB-CD 4.11Å; L256-K331 HydrophobicContact CB-CG 3.53Å; L256-K331 HydrophobicContact CD1-CG 3.87Å; L256-K331 HydrophobicContact CG-CG 4.3Å; T257-K331 PolarHBondContact OG1-NZ 3.18Å; L260-K331 HydrophobicContact CD2-CD 4.38Å; L327-K331 WeakPolarHBondContact O-CG 3.03Å; L327-K331 PolarHBondContact O-N 3.02Å; Q328-K331 PolarHBondContact O-N 3.45Å; K331-S333 VanDerWaalsContact C-N 3.29Å; K331-S333 PolarHBondContact O-N 2.97Å; K331-I334 PolarHBondContact O-N 3.24Å; K331-L335 WeakPolarHBondContact O-CB 3.49Å; K331-L335 VanDerWaalsContact O-CG 3.3Å; K331-L335 WeakPolarHBondContact O-CG 3.34Å; K331-L335 PolarHBondContact O-N 3.24Å |
| 332 | H | 98 | Very high | 94.4 | Very high | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.4 | -38.2 | 178.4 | -172.3 | 67.2 | 0 | 0 | 0 | 112.4 | Q328 N329 A330 L335 T336 | Q328-H332 WeakPolarHBondContact O-CB 3.18Å; Q328-H332 PolarHBondContact O-N 2.95Å; N329-H332 PolarHBondContact O-N 3.02Å; A330-H332 VanDerWaalsContact C-N 3.31Å; A330-H332 PolarHBondContact O-N 3.44Å; H332-L335 PolarHBondContact O-N 3.22Å; H332-T336 WeakPolarHBondContact O-CB 3.17Å; H332-T336 PolarHBondContact O-N 2.96Å; H332-T336 PolarHBondContact O-OG1 3.47Å |
| 333 | S | 96.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 175.5 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | N329 A330 K331 T336 L337 | N329-S333 PolarHBondContact O-N 3.47Å; N329-S333 PolarHBondContact O-OG 2.75Å; A330-S333 WeakPolarHBondContact O-CB 3.33Å; A330-S333 PolarHBondContact O-N 3.32Å; A330-S333 VanDerWaalsContact O-N 3.15Å; K331-S333 VanDerWaalsContact C-N 3.29Å; K331-S333 PolarHBondContact O-N 2.97Å; S333-T336 WeakPolarHBondContact O-CB 3.48Å; S333-T336 PolarHBondContact O-N 2.8Å; S333-L337 PolarHBondContact O-N 3.25Å |
| 334 | I | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 175.4 | -63.6 | -60.6 | 0 | 0 | 0 | 111.4 | V79 M82 L112 L249 I252 D253 L256 A330 K331 T336 L337 T338 | V79-I334 HydrophobicContact CG2-CD1 3.9Å; V79-I334 HydrophobicContact CG2-CG1 4.2Å; M82-I334 HydrophobicContact CE-CD1 4.43Å; L112-I334 HydrophobicContact CD2-CD1 3.89Å; L249-I334 HydrophobicContact CB-CG2 4.46Å; L249-I334 HydrophobicContact CD2-CD1 4.19Å; L249-I334 HydrophobicContact CD2-CG2 4.04Å; I252-I334 HydrophobicContact CG2-CD1 3.71Å; I252-I334 HydrophobicContact CG2-CG1 3.86Å; D253-I334 HydrophobicContact CB-CG2 4.27Å; L256-I334 HydrophobicContact CD1-CG1 4.03Å; A330-I334 WeakPolarHBondContact O-CG1 3.01Å; A330-I334 PolarHBondContact O-N 3.14Å; K331-I334 PolarHBondContact O-N 3.24Å; I334-T336 PolarHBondContact O-N 3.22Å; I334-L337 WeakPolarHBondContact O-CB 3.39Å; I334-L337 PolarHBondContact O-N 2.94Å; I334-T338 PolarHBondContact O-N 3.3Å; I334-T338 PolarHBondContact O-OG1 3.1Å; I334-T338 VanDerWaalsContact O-OG1 3.09Å |
| 335 | L | 95.8 | Very high | 89.5 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.9 | -34.7 | 175.1 | -70.8 | 170.8 | 0 | 0 | 0 | 112.5 | K331 H332 T338 S339 | K331-L335 WeakPolarHBondContact O-CB 3.49Å; K331-L335 VanDerWaalsContact O-CG 3.3Å; K331-L335 WeakPolarHBondContact O-CG 3.34Å; K331-L335 PolarHBondContact O-N 3.24Å; H332-L335 PolarHBondContact O-N 3.22Å; L335-T338 PolarHBondContact O-N 2.88Å; L335-S339 WeakPolarHBondContact O-CB 3.44Å; L335-S339 PolarHBondContact O-N 3.48Å; L335-S339 PolarHBondContact O-OG 2.82Å; L335-S339 VanDerWaalsContact O-OG 3.07Å |
| 336 | T | 93.1 | Very high | 87 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 174.9 | -59.4 | 0 | 0 | 0 | 0 | 111 | H332 S333 I334 S339 R340 | H332-T336 WeakPolarHBondContact O-CB 3.17Å; H332-T336 PolarHBondContact O-N 2.96Å; H332-T336 PolarHBondContact O-OG1 3.47Å; S333-T336 WeakPolarHBondContact O-CB 3.48Å; S333-T336 PolarHBondContact O-N 2.8Å; I334-T336 PolarHBondContact O-N 3.22Å; T336-S339 PolarHBondContact O-OG 3.39Å; T336-R340 VanDerWaalsContact O-CG 3.29Å; T336-R340 WeakPolarHBondContact O-CG 3.24Å; T336-R340 PolarHBondContact O-N 3.4Å; T336-R340 VanDerWaalsContact O-N 3.11Å |
| 337 | L | 90.9 | Very high | 84.6 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 174.5 | -66.9 | 173.5 | 0 | 0 | 0 | 111.9 | M82 L249 S333 I334 R340 L341 | M82-L337 HydrophobicContact CE-CD1 3.54Å; M82-L337 HydrophobicContact SD-CD1 4.31Å; L249-L337 HydrophobicContact CD1-CB 4.47Å; L249-L337 HydrophobicContact CD2-CB 3.91Å; L249-L337 HydrophobicContact CD2-CD1 4.29Å; S333-L337 PolarHBondContact O-N 3.25Å; I334-L337 WeakPolarHBondContact O-CB 3.39Å; I334-L337 PolarHBondContact O-N 2.94Å; L337-R340 PolarHBondContact O-N 3.49Å; L337-L341 PolarHBondContact O-N 3.27Å |
| 338 | T | 92.4 | Very high | 82.3 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 24% | 0.239 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | I334 L335 R340 L341 D342 | I334-T338 PolarHBondContact O-N 3.3Å; I334-T338 PolarHBondContact O-OG1 3.1Å; I334-T338 VanDerWaalsContact O-OG1 3.09Å; L335-T338 PolarHBondContact O-N 2.88Å; T338-R340 VanDerWaalsContact C-N 3.31Å; T338-R340 PolarHBondContact O-N 3.06Å; T338-L341 WeakPolarHBondContact O-CB 3.34Å; T338-L341 PolarHBondContact O-N 3.34Å; T338-L341 VanDerWaalsContact O-N 3.09Å; T338-D342 PolarHBondContact O-N 3.26Å |
| 339 | S | 90.5 | Very high | 79.9 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 179.2 | 62 | 0 | 0 | 0 | 0 | 112.9 | L335 T336 L341 D342 N343 | L335-S339 WeakPolarHBondContact O-CB 3.44Å; L335-S339 PolarHBondContact O-N 3.48Å; L335-S339 PolarHBondContact O-OG 2.82Å; L335-S339 VanDerWaalsContact O-OG 3.07Å; T336-S339 PolarHBondContact O-OG 3.39Å; S339-L341 VanDerWaalsContact C-N 3.35Å; S339-D342 PolarHBondContact O-N 2.96Å; S339-N343 VanDerWaalsContact O-CB 3.25Å; S339-N343 WeakPolarHBondContact O-CB 3.4Å; S339-N343 PolarHBondContact O-N 3.47Å; S339-N343 PolarHBondContact O-ND2 3.26Å |
| 340 | R | 83.9 | Confident | 77.5 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 48% | 0.475 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 171.5 | -75.5 | 173.8 | -179.1 | -175.9 | 2.1 | 112 | T336 L337 T338 D342 S344 | T336-R340 VanDerWaalsContact O-CG 3.29Å; T336-R340 WeakPolarHBondContact O-CG 3.24Å; T336-R340 PolarHBondContact O-N 3.4Å; T336-R340 VanDerWaalsContact O-N 3.11Å; L337-R340 PolarHBondContact O-N 3.49Å; T338-R340 VanDerWaalsContact C-N 3.31Å; T338-R340 PolarHBondContact O-N 3.06Å; R340-D342 VanDerWaalsContact C-N 3.34Å; R340-S344 VanDerWaalsContact O-CB 3.32Å; R340-S344 WeakPolarHBondContact O-CB 3.03Å; R340-S344 PolarHBondContact O-N 3.19Å; R340-S344 PolarHBondContact O-OG 2.71Å |
| 341 | L | 84.2 | Confident | 75 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.6 | -30.5 | 178.1 | -179.2 | 61.3 | 0 | 0 | 0 | 113 | L242 L245 R246 L249 L337 T338 S339 S344 L349 | L242-L341 HydrophobicContact CD2-CD1 3.38Å; L245-L341 HydrophobicContact CB-CD2 4.34Å; L245-L341 HydrophobicContact CD2-CD1 4.34Å; L245-L341 HydrophobicContact CD2-CD2 4.12Å; L245-L341 HydrophobicContact CG-CD2 4.04Å; R246-L341 HydrophobicContact CB-CD2 4.39Å; R246-L341 HydrophobicContact CG-CD2 3.4Å; R246-L341 VanDerWaalsContact CG-CD2 3.4Å; R246-L341 HydrophobicContact CG-CG 4.16Å; L249-L341 HydrophobicContact CD1-CD2 3.85Å; L337-L341 PolarHBondContact O-N 3.27Å; T338-L341 WeakPolarHBondContact O-CB 3.34Å; T338-L341 PolarHBondContact O-N 3.34Å; T338-L341 VanDerWaalsContact O-N 3.09Å; S339-L341 VanDerWaalsContact C-N 3.35Å; L341-S344 PolarHBondContact O-OG 3.01Å; L341-S344 VanDerWaalsContact O-OG 3.13Å; L341-L349 HydrophobicContact CB-CD1 3.73Å; L341-L349 HydrophobicContact CD1-CD1 3.77Å; L341-L349 HydrophobicContact CG-CD1 4.32Å |
| 342 | D | 83.5 | Confident | 73.8 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -83.5 | -32.4 | 177.1 | -67.9 | -23.5 | 0 | 0 | 0 | 112.8 | R246 T338 S339 R340 S344 | R246-D342 IonicContact NE-OD1 2.7Å; T338-D342 PolarHBondContact O-N 3.26Å; S339-D342 PolarHBondContact O-N 2.96Å; R340-D342 VanDerWaalsContact C-N 3.34Å; D342-S344 VanDerWaalsContact C-N 3.32Å |
| 343 | N | 76.9 | Confident | 72.5 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -79.9 | -11.7 | 177.5 | -71.4 | -36.2 | 0 | 0 | 0 | 113.2 | S339 N345 | S339-N343 VanDerWaalsContact O-CB 3.25Å; S339-N343 WeakPolarHBondContact O-CB 3.4Å; S339-N343 PolarHBondContact O-N 3.47Å; S339-N343 PolarHBondContact O-ND2 3.26Å; N343-N345 PolarHBondContact O-N 3Å |
| 344 | S | 60.7 | Low | 71.2 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | trans | -78.2 | 94 | -168 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | R340 L341 D342 D346 | R340-S344 VanDerWaalsContact O-CB 3.32Å; R340-S344 WeakPolarHBondContact O-CB 3.03Å; R340-S344 PolarHBondContact O-N 3.19Å; R340-S344 PolarHBondContact O-OG 2.71Å; L341-S344 PolarHBondContact O-OG 3.01Å; L341-S344 VanDerWaalsContact O-OG 3.13Å; D342-S344 VanDerWaalsContact C-N 3.32Å; S344-D346 WeakPolarHBondContact CB-O 3.34Å | ||
| 345 | N | 49.1 | Very low | 69.7 | Low | 166 Ų | 166 | 75.9 Ų | 75.9 | 89% | 0.888 | 40% | 0.395 | S | S | * | . | S | Bend | -75.3 | 0.2 | 120.6 | -85.1 | -24.7 | 0 | 0 | 0 | 111.4 | N343 | N343-N345 PolarHBondContact O-N 3Š| |
| 346 | D | 45.9 | Very low | 68.1 | Low | 107 Ų | 107 | 75 Ų | 75 | 57% | 0.572 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -92.6 | 111.9 | -173.9 | -150.4 | 0.8 | 0 | 0 | 0 | 110.4 | S344 T348 | S344-D346 WeakPolarHBondContact CB-O 3.34Å; D346-T348 PolarHBondContact O-N 3.01Å |
| 347 | F | 47 | Very low | 66.4 | Low | 129 Ų | 129 | 76.9 Ų | 76.9 | 57% | 0.566 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -53.9 | 6 | -172 | -76.9 | -78.2 | 0 | 0 | 0 | 116.8 | F182 T236 L349 I350 | F182-F347 HydrophobicContact CE1-CB 4.27Å; F182-F347 WeakPolarHBondContact CE1-O 3.37Å; F182-F347 WeakPolarHBondContact CZ-O 3.19Å; T236-F347 HydrophobicContact CG2-CE1 4.34Å; F347-L349 PolarHBondContact O-N 3.48Å; F347-I350 HydrophobicContact CB-CD1 3.82Å; F347-I350 HydrophobicContact CD1-CD1 3.58Å; F347-I350 HydrophobicContact CD1-CG1 4.36Å; F347-I350 HydrophobicContact CG-CD1 4.16Å; F347-I350 WeakPolarHBondContact O-CB 3.46Å; F347-I350 VanDerWaalsContact O-CD1 3.25Å; F347-I350 WeakPolarHBondContact O-CD1 3.09Å; F347-I350 WeakPolarHBondContact O-CG1 3.31Å; F347-I350 PolarHBondContact O-N 2.95Å |
| 348 | T | 49.5 | Very low | 64.6 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 40% | 0.399 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -76.8 | -12 | -169.5 | 52.5 | 0 | 0 | 0 | 0 | 116.2 | F182 D346 | F182-T348 HydrophobicContact CE2-CG2 4.39Å; D346-T348 PolarHBondContact O-N 3.01Å |
| 349 | L | 47.3 | Very low | 62.5 | Low | 45 Ų | 45 | 84.5 Ų | 84.5 | 24% | 0.236 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -105.6 | 22.4 | 173.2 | -74.5 | 158 | 0 | 0 | 0 | 112.8 | L245 L341 F347 | L245-L349 HydrophobicContact CD2-CD2 3.95Å; L341-L349 HydrophobicContact CB-CD1 3.73Å; L341-L349 HydrophobicContact CD1-CD1 3.77Å; L341-L349 HydrophobicContact CG-CD1 4.32Å; F347-L349 PolarHBondContact O-N 3.48Å |
| 350 | I | 47.5 | Very low | 60.2 | Low | 8 Ų | 8 | 87.3 Ų | 87.3 | 4% | 0.041 | 44% | 0.439 | C | S | . | . | trans | -54.6 | 144.8 | 170.3 | -83.5 | 172.2 | 0 | 0 | 0 | 110.6 | K118 F182 E233 E235 F347 | K118-I350 WeakPolarHBondContact CE-O 3.37Å; K118-I350 PolarHBondContact NZ-O 3.04Å; F182-I350 HydrophobicContact CE1-CB 4.22Å; F182-I350 HydrophobicContact CE1-CD1 3.7Å; F182-I350 HydrophobicContact CE1-CG1 4.4Å; F182-I350 HydrophobicContact CZ-CB 4.15Å; F182-I350 HydrophobicContact CZ-CD1 4.4Å; E233-I350 WeakPolarHBondContact O-CG2 3.46Å; E235-I350 WeakPolarHBondContact O-CG2 3.39Å; F347-I350 HydrophobicContact CB-CD1 3.82Å; F347-I350 HydrophobicContact CD1-CD1 3.58Å; F347-I350 HydrophobicContact CD1-CG1 4.36Å; F347-I350 HydrophobicContact CG-CD1 4.16Å; F347-I350 WeakPolarHBondContact O-CB 3.46Å; F347-I350 VanDerWaalsContact O-CD1 3.25Å; F347-I350 WeakPolarHBondContact O-CD1 3.09Å; F347-I350 WeakPolarHBondContact O-CG1 3.31Å; F347-I350 PolarHBondContact O-N 2.95Å | ||
| 351 | K | 46.6 | Very low | 58 | Low | 125 Ų | 125 | 83.7 Ų | 83.7 | 54% | 0.543 | 44% | 0.435 | S | S | . | . | trans | -51 | 0 | -178.6 | -162.7 | 176.9 | 175 | -169.5 | 0 | 114.7 | K118 E235 | K118-K351 WeakPolarHBondContact CD-OXT 3.44Å; K118-K351 VanDerWaalsContact CE-C 3.49Å; K118-K351 WeakPolarHBondContact CE-OXT 3.48Å; K118-K351 PolarHBondContact NZ-O 3.2Å; K118-K351 PolarHBondContact NZ-OXT 2.96Å; E235-K351 HydrophobicContact CB-CB 4.11Å; E235-K351 HydrophobicContact CB-CD 4.16Å; E235-K351 WeakPolarHBondContact O-CB 3.42Å; E235-K351 PolarHBondContact O-N 2.66Å; E235-K351 WeakPolarHBondContact OE2-CD 3.36Å; E235-K351 IonicContact OE2-NZ 3.35Å; E235-K351 PolarHBondContact OE2-NZ 3.16Å |
Retrieved 351 of 351 residues in 161.8 ms
(Link to these results)