| 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 | 60.4 | Low | 77.3 | Confident | 116 Ų | 116 | 96.8 Ų | 96.8 | 57% | 0.571 | 42% | 0.421 | S | S | * | . | 0 | -75.2 | 0 | -146.4 | 165.2 | 87.4 | 0 | 0 | 113.3 | R3 F4 E5 | M1-R3 PolarHBondContact O-N 3Å; M1-F4 WeakPolarHBondContact O-CA 3.37Å; M1-F4 VanDerWaalsContact O-CB 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 3.4Å | |||
| 2 | W | 68.4 | Low | 77.7 | Confident | 144 Ų | 144 | 90 Ų | 90 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -47.5 | -42.3 | -170.7 | -69.6 | 91.6 | 0 | 0 | 0 | 117.2 | F4 E5 L6 R925 | W2-F4 PolarHBondContact O-N 2.85Å; W2-E5 PolarHBondContact O-N 3.01Å; W2-L6 PolarHBondContact O-N 3.33Å; W2-L6 VanDerWaalsContact O-N 3.11Å; W2-R925 VanDerWaalsContact CE2-CZ 3.42Å; W2-R925 VanDerWaalsContact CZ2-NE 3.31Å |
| 3 | R | 79.2 | Confident | 77.9 | Confident | 205 Ų | 205 | 90.7 Ų | 90.7 | 77% | 0.774 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 174.4 | -70.4 | -175.7 | 177.6 | 176.8 | -1.3 | 112.5 | M1 L6 Y7 | M1-R3 PolarHBondContact O-N 3Å; R3-L6 PolarHBondContact O-N 3.14Å; R3-Y7 HydrophobicContact CB-CE2 4.26Å; R3-Y7 WeakPolarHBondContact O-CD2 3.43Å; R3-Y7 PolarHBondContact O-N 2.95Å |
| 4 | F | 78.2 | Confident | 78.1 | Confident | 53 Ų | 53 | 88.7 Ų | 88.7 | 23% | 0.232 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.8 | -178.7 | -78.1 | 0 | 0 | 0 | 111.5 | M1 W2 L6 Y7 A8 I1184 F1344 C1347 | M1-F4 WeakPolarHBondContact O-CA 3.37Å; M1-F4 VanDerWaalsContact O-CB 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.47Å; M1-F4 PolarHBondContact O-N 3.36Å; W2-F4 PolarHBondContact O-N 2.85Å; F4-L6 VanDerWaalsContact C-N 3.3Å; F4-L6 PolarHBondContact O-N 3.41Å; F4-Y7 PolarHBondContact O-N 2.91Å; F4-A8 HydrophobicContact CE1-CB 4.46Å; F4-A8 WeakPolarHBondContact O-CB 3.2Å; F4-A8 PolarHBondContact O-N 3.42Å; F4-I1184 HydrophobicContact CD1-CD1 4.3Å; F4-I1184 HydrophobicContact CD1-CG2 3.53Å; F4-I1184 HydrophobicContact CE1-CB 4.24Å; F4-I1184 HydrophobicContact CE1-CD1 4.11Å; F4-I1184 HydrophobicContact CE1-CG1 3.99Å; F4-I1184 HydrophobicContact CE1-CG2 3.37Å; F4-I1184 HydrophobicContact CG-CG2 4.32Å; F4-I1184 HydrophobicContact CZ-CG2 4.01Å; F4-F1344 HydrophobicContact CE1-CD2 4.44Å; F4-F1344 AromaticContact CE2-CD2 3.68Å; F4-F1344 HydrophobicContact CE2-CD2 3.68Å; F4-F1344 HydrophobicContact CE2-CE2 4.19Å; F4-F1344 AromaticContact CZ-CD2 3.62Å; F4-F1344 HydrophobicContact CZ-CD2 3.62Å; F4-F1344 HydrophobicContact CZ-CE2 4.14Å; F4-C1347 HydrophobicContact CZ-CB 4.39Å |
| 5 | E | 78.9 | Confident | 78 | Confident | 29 Ų | 29 | 83.1 Ų | 83.1 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 175.5 | -76.1 | -169.2 | -114.3 | 0 | 0 | 112.7 | M1 W2 A8 K9 I1184 R1351 | M1-E5 PolarHBondContact O-N 3.4Å; W2-E5 PolarHBondContact O-N 3.01Å; E5-A8 PolarHBondContact O-N 3.4Å; E5-K9 WeakPolarHBondContact O-CB 3.16Å; E5-K9 WeakPolarHBondContact O-CG 3.38Å; E5-K9 PolarHBondContact O-N 2.91Å; E5-I1184 HydrophobicContact CG-CD1 4.27Å; E5-R1351 IonicContact OE2-NH1 2.67Å |
| 6 | L | 82.7 | Confident | 77.8 | Confident | 103 Ų | 103 | 79 Ų | 79 | 54% | 0.539 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 174.3 | -175.7 | 63.4 | 0 | 0 | 0 | 111.2 | W2 R3 F4 K9 L10 | W2-L6 PolarHBondContact O-N 3.33Å; W2-L6 VanDerWaalsContact O-N 3.11Å; R3-L6 PolarHBondContact O-N 3.14Å; F4-L6 VanDerWaalsContact C-N 3.3Å; F4-L6 PolarHBondContact O-N 3.41Å; L6-K9 PolarHBondContact O-N 3.38Å; L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.21Å; L6-L10 PolarHBondContact O-N 3.39Å |
| 7 | Y | 80.5 | Confident | 77.6 | Confident | 143 Ų | 143 | 78.3 Ų | 78.3 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.1 | -40.5 | 175 | -70.5 | -56.7 | 0 | 0 | 0 | 112.6 | R3 F4 L10 F11 | R3-Y7 HydrophobicContact CB-CE2 4.26Å; R3-Y7 WeakPolarHBondContact O-CD2 3.43Å; R3-Y7 PolarHBondContact O-N 2.95Å; F4-Y7 PolarHBondContact O-N 2.91Å; Y7-L10 HydrophobicContact CD1-CD1 4.47Å; Y7-L10 PolarHBondContact O-N 3.41Å; Y7-F11 WeakPolarHBondContact O-CB 3.43Å; Y7-F11 PolarHBondContact O-N 3.01Å |
| 8 | A | 80.5 | Confident | 77.3 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F4 E5 F11 Q12 F1344 | F4-A8 HydrophobicContact CE1-CB 4.46Å; F4-A8 WeakPolarHBondContact O-CB 3.2Å; F4-A8 PolarHBondContact O-N 3.42Å; E5-A8 PolarHBondContact O-N 3.4Å; A8-F11 PolarHBondContact O-N 3.32Å; A8-Q12 WeakPolarHBondContact O-CB 3.47Å; A8-Q12 PolarHBondContact O-N 3.4Å; A8-F1344 HydrophobicContact CB-CE2 4.46Å |
| 9 | K | 81.2 | Confident | 77.1 | Confident | 109 Ų | 109 | 72 Ų | 72 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 173.6 | -77.6 | -175.8 | 176.9 | -169.6 | 0 | 112.4 | E5 L6 Q12 L13 | E5-K9 WeakPolarHBondContact O-CB 3.16Å; E5-K9 WeakPolarHBondContact O-CG 3.38Å; E5-K9 PolarHBondContact O-N 2.91Å; L6-K9 PolarHBondContact O-N 3.38Å; K9-Q12 PolarHBondContact O-N 2.88Å; K9-L13 WeakPolarHBondContact O-CB 3.34Å; K9-L13 PolarHBondContact O-N 2.99Å |
| 10 | L | 80.2 | Confident | 76.8 | Confident | 95 Ų | 95 | 69.4 Ų | 69.4 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 178.6 | -74.3 | 167.9 | 0 | 0 | 0 | 111.9 | L6 Y7 L13 K14 | L6-L10 HydrophobicContact CG-CD1 4.11Å; L6-L10 WeakPolarHBondContact O-CB 3.43Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.21Å; L6-L10 PolarHBondContact O-N 3.39Å; Y7-L10 HydrophobicContact CD1-CD1 4.47Å; Y7-L10 PolarHBondContact O-N 3.41Å; L10-L13 PolarHBondContact O-N 2.94Å; L10-K14 PolarHBondContact O-N 3.45Å |
| 11 | F | 80.4 | Confident | 76.3 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.2 | -170.4 | -86.2 | 0 | 0 | 0 | 111.6 | Y7 A8 K14 L15 F1344 L1345 I1348 | Y7-F11 WeakPolarHBondContact O-CB 3.43Å; Y7-F11 PolarHBondContact O-N 3.01Å; A8-F11 PolarHBondContact O-N 3.32Å; F11-K14 CarbonylContact O-C 3.54Å; F11-K14 WeakPolarHBondContact O-CA 3.41Å; F11-K14 WeakPolarHBondContact O-CB 3.48Å; F11-K14 PolarHBondContact O-N 2.72Å; F11-K14 VanDerWaalsContact O-N 3.16Å; F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CD1-CD2 4.23Å; F11-L15 HydrophobicContact CE1-CD1 3.3Å; F11-L15 HydrophobicContact CE1-CD2 3.82Å; F11-L15 HydrophobicContact CE1-CG 4.18Å; F11-L15 HydrophobicContact CZ-CD1 3.76Å; F11-L15 PolarHBondContact O-N 3.18Å; F11-F1344 HydrophobicContact CB-CE1 4.45Å; F11-F1344 HydrophobicContact CB-CZ 4.22Å; F11-F1344 HydrophobicContact CD1-CE1 4.46Å; F11-F1344 HydrophobicContact CD2-CE1 4.17Å; F11-F1344 HydrophobicContact CG-CE1 4.12Å; F11-F1344 HydrophobicContact CG-CZ 4.38Å; F11-L1345 HydrophobicContact CE1-CD2 3.71Å; F11-L1345 HydrophobicContact CZ-CD2 3.71Å; F11-I1348 HydrophobicContact CB-CD1 4.28Å; F11-I1348 HydrophobicContact CD1-CD1 3.26Å; F11-I1348 HydrophobicContact CD1-CG1 4.24Å; F11-I1348 HydrophobicContact CD1-CG2 4.28Å; F11-I1348 HydrophobicContact CE1-CD1 3.69Å; F11-I1348 HydrophobicContact CG-CD1 3.92Å |
| 12 | Q | 82.4 | Confident | 76.2 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 173.8 | 179.3 | -177.1 | -13.5 | 0 | 0 | 112.4 | A8 K9 K14 L15 S16 I1348 T1352 E1355 | A8-Q12 WeakPolarHBondContact O-CB 3.47Å; A8-Q12 PolarHBondContact O-N 3.4Å; K9-Q12 PolarHBondContact O-N 2.88Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 2.93Å; Q12-L15 PolarHBondContact O-N 2.88Å; Q12-S16 PolarHBondContact O-N 3.11Å; Q12-I1348 HydrophobicContact CB-CG2 4.43Å; Q12-T1352 HydrophobicContact CG-CG2 3.68Å; Q12-E1355 PolarHBondContact NE2-OE1 2.87Å; Q12-E1355 PolarHBondContact NE2-OE2 3.43Å |
| 13 | L | 80.4 | Confident | 76.1 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 52% | 0.518 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 172.6 | -177.3 | 65.7 | 0 | 0 | 0 | 110.9 | K9 L10 S16 N17 | K9-L13 WeakPolarHBondContact O-CB 3.34Å; K9-L13 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 2.94Å; L13-S16 WeakPolarHBondContact O-CB 3.44Å; L13-S16 PolarHBondContact O-N 2.92Å; L13-N17 VanDerWaalsContact O-CG 3.31Å; L13-N17 PolarHBondContact O-N 2.94Å |
| 14 | K | 79.8 | Confident | 75.5 | Confident | 63 Ų | 63 | 53.2 Ų | 53.2 | 27% | 0.274 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.7 | -149.4 | -167.4 | -172.4 | -150.8 | 0 | 112.3 | L10 F11 Q12 S16 N17 Y18 H93 T94 | L10-K14 PolarHBondContact O-N 3.45Å; F11-K14 CarbonylContact O-C 3.54Å; F11-K14 WeakPolarHBondContact O-CA 3.41Å; F11-K14 WeakPolarHBondContact O-CB 3.48Å; F11-K14 PolarHBondContact O-N 2.72Å; F11-K14 VanDerWaalsContact O-N 3.16Å; Q12-K14 VanDerWaalsContact C-N 3.3Å; Q12-K14 PolarHBondContact O-N 2.93Å; K14-S16 VanDerWaalsContact C-N 3.33Å; K14-N17 PolarHBondContact O-N 2.72Å; K14-N17 VanDerWaalsContact O-N 3.15Å; K14-Y18 HydrophobicContact CD-CE2 3.77Å; K14-Y18 WeakPolarHBondContact CE-OH 3.42Å; K14-Y18 HydrophobicContact CG-CD2 4.31Å; K14-Y18 HydrophobicContact CG-CE2 3.73Å; K14-Y18 PolarHBondContact NZ-OH 3.19Å; K14-Y18 WeakPolarHBondContact O-CD2 3.43Å; K14-Y18 PolarHBondContact O-N 3.26Å; K14-H93 PolarHBondContact NZ-O 3.08Å; K14-T94 VanDerWaalsContact NZ-C 3.27Å; K14-T94 PolarHBondContact NZ-O 2.65Å |
| 15 | L | 77 | Confident | 74.9 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 173.1 | -105.8 | 59.2 | 0 | 0 | 0 | 112.4 | F11 Q12 N17 Y18 D19 I148 I1348 P1403 I1410 | F11-L15 HydrophobicContact CD1-CD1 3.76Å; F11-L15 HydrophobicContact CD1-CD2 4.23Å; F11-L15 HydrophobicContact CE1-CD1 3.3Å; F11-L15 HydrophobicContact CE1-CD2 3.82Å; F11-L15 HydrophobicContact CE1-CG 4.18Å; F11-L15 HydrophobicContact CZ-CD1 3.76Å; F11-L15 PolarHBondContact O-N 3.18Å; Q12-L15 PolarHBondContact O-N 2.88Å; L15-N17 VanDerWaalsContact C-N 3.31Å; L15-Y18 PolarHBondContact O-N 3.33Å; L15-D19 WeakPolarHBondContact O-CB 3.18Å; L15-D19 PolarHBondContact O-N 3.25Å; L15-I148 HydrophobicContact CD1-CG2 4.45Å; L15-I1348 HydrophobicContact CD2-CG2 4.16Å; L15-P1403 HydrophobicContact CB-CB 4.49Å; L15-I1410 HydrophobicContact CD2-CD1 4.16Å |
| 16 | S | 74.6 | Confident | 74.2 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 172.3 | -162.8 | 0 | 0 | 0 | 0 | 111.2 | Q12 L13 K14 D19 K20 | Q12-S16 PolarHBondContact O-N 3.11Å; L13-S16 WeakPolarHBondContact O-CB 3.44Å; L13-S16 PolarHBondContact O-N 2.92Å; K14-S16 VanDerWaalsContact C-N 3.33Å; S16-D19 CarbonylContact O-C 3.47Å; S16-D19 PolarHBondContact O-N 3Å; S16-K20 VanDerWaalsContact O-CG 3.28Å; S16-K20 WeakPolarHBondContact O-CG 3.43Å; S16-K20 PolarHBondContact O-N 3.35Å |
| 17 | N | 75 | Confident | 73.4 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 36% | 0.358 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.5 | -32.3 | 176.9 | -68.6 | -18 | 0 | 0 | 0 | 112.9 | L13 K14 L15 D19 K20 | L13-N17 VanDerWaalsContact O-CG 3.31Å; L13-N17 PolarHBondContact O-N 2.94Å; K14-N17 PolarHBondContact O-N 2.72Å; K14-N17 VanDerWaalsContact O-N 3.15Å; L15-N17 VanDerWaalsContact C-N 3.31Å; N17-D19 VanDerWaalsContact C-N 3.35Å; N17-K20 PolarHBondContact O-N 3.44Å; N17-K20 WeakPolarHBondContact OD1-CE 3.34Å; N17-K20 PolarHBondContact OD1-NZ 3.12Å |
| 18 | Y | 70.9 | Confident | 72.7 | Confident | 34 Ų | 34 | 45.4 Ų | 45.4 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.2 | -25.6 | 171 | -70.6 | -55.7 | 0 | 0 | 0 | 113.7 | K14 L15 H93 H152 | K14-Y18 HydrophobicContact CD-CE2 3.77Å; K14-Y18 WeakPolarHBondContact CE-OH 3.42Å; K14-Y18 HydrophobicContact CG-CD2 4.31Å; K14-Y18 HydrophobicContact CG-CE2 3.73Å; K14-Y18 PolarHBondContact NZ-OH 3.19Å; K14-Y18 WeakPolarHBondContact O-CD2 3.43Å; K14-Y18 PolarHBondContact O-N 3.26Å; L15-Y18 PolarHBondContact O-N 3.33Å; Y18-H93 PolarHBondContact OH-O 3.36Å; Y18-H152 AromaticContact CD1-CD2 3.57Å; Y18-H152 AromaticContact CD1-NE2 3.74Å; Y18-H152 AromaticContact CE1-CD2 3.96Å; Y18-H152 PolarHBondContact O-CE1 2.81Å |
| 19 | D | 73.4 | Confident | 71.8 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 10.3 | 174.9 | -166.3 | 49 | 0 | 0 | 0 | 113.4 | L15 S16 N17 H21 K62 P1403 Q1404 R1405 | L15-D19 WeakPolarHBondContact O-CB 3.18Å; L15-D19 PolarHBondContact O-N 3.25Å; S16-D19 CarbonylContact O-C 3.47Å; S16-D19 PolarHBondContact O-N 3Å; N17-D19 VanDerWaalsContact C-N 3.35Å; D19-H21 PolarHBondContact O-NE2 2.96Å; D19-H21 IonicContact OD1-NE2 3.68Å; D19-K62 PolarHBondContact O-NZ 3.07Å; D19-K62 WeakPolarHBondContact OD2-CE 3.47Å; D19-K62 IonicContact OD2-NZ 2.8Å; D19-K62 PolarHBondContact OD2-NZ 3.01Å; D19-P1403 WeakPolarHBondContact OD2-CA 3.35Å; D19-Q1404 PolarHBondContact OD2-N 3.37Å; D19-R1405 WeakPolarHBondContact OD1-CB 3.27Å; D19-R1405 PolarHBondContact OD2-N 2.89Å |
| 20 | K | 71 | Confident | 70.9 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | trans | -80.3 | 148.9 | 172.7 | -96 | 173.4 | -164.6 | -178.1 | 0 | 110.4 | S16 N17 E24 E28 | S16-K20 VanDerWaalsContact O-CG 3.28Å; S16-K20 WeakPolarHBondContact O-CG 3.43Å; S16-K20 PolarHBondContact O-N 3.35Å; N17-K20 PolarHBondContact O-N 3.44Å; N17-K20 WeakPolarHBondContact OD1-CE 3.34Å; N17-K20 PolarHBondContact OD1-NZ 3.12Å; K20-E24 HydrophobicContact CB-CB 4.47Å; K20-E24 HydrophobicContact CG-CB 3.97Å; K20-E24 VanDerWaalsContact CG-OE2 3.31Å; K20-E24 WeakPolarHBondContact CG-OE2 3.34Å; K20-E28 WeakPolarHBondContact CE-OE1 3.34Å; K20-E28 VanDerWaalsContact CE-OE2 3.3Å; K20-E28 WeakPolarHBondContact CE-OE2 3.35Å; K20-E28 IonicContact NZ-OE1 2.73Å; K20-E28 PolarHBondContact NZ-OE1 2.74Å; K20-E28 IonicContact NZ-OE2 3.29Å; K20-E28 PolarHBondContact NZ-OE2 3Å | ||
| 21 | H | 66.4 | Low | 69.8 | Low | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.06 | 24% | 0.242 | C | C | . | . | trans | -126.1 | 165.5 | 179.4 | -62.4 | -44.2 | 0 | 0 | 0 | 110.8 | D19 W23 E24 H25 K62 A63 | D19-H21 PolarHBondContact O-NE2 2.96Å; D19-H21 IonicContact OD1-NE2 3.68Å; H21-W23 PolarHBondContact O-N 3.18Å; H21-W23 VanDerWaalsContact O-N 3.09Å; H21-E24 WeakPolarHBondContact O-CA 3.45Å; H21-E24 WeakPolarHBondContact O-CB 3.46Å; H21-E24 PolarHBondContact O-N 3.17Å; H21-H25 PolarHBondContact O-N 3.36Å; H21-K62 VanDerWaalsContact CD2-CA 3.41Å; H21-K62 WeakPolarHBondContact CD2-CA 3.35Å; H21-K62 WeakPolarHBondContact NE2-CA 3.25Å; H21-A63 PolarHBondContact CD2-N 3.46Å; H21-A63 WeakPolarHBondContact CE1-CB 3.42Å; H21-A63 PolarHBondContact CE1-N 2.8Å; H21-A63 WeakPolarHBondContact ND1-CB 3.44Å; H21-A63 PolarHBondContact NE2-N 3.47Å | ||
| 22 | P | 60.1 | Low | 68.2 | Low | 117 Ų | 117 | 53.3 Ų | 53.3 | 76% | 0.76 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -54.8 | -32.5 | -176.6 | -29.3 | 36.9 | 0 | 0 | 0 | 113.7 | G26 | P22-G26 PolarHBondContact O-N 3.31Å |
| 23 | W | 65.4 | Low | 66.3 | Low | 49 Ų | 49 | 59.2 Ų | 59.2 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.5 | -33.7 | 174.2 | 76.3 | -99.9 | 0 | 0 | 0 | 113.2 | H21 G26 V27 F60 A61 Y1397 | H21-W23 PolarHBondContact O-N 3.18Å; H21-W23 VanDerWaalsContact O-N 3.09Å; W23-G26 PolarHBondContact O-N 3.48Å; W23-V27 HydrophobicContact CE3-CG2 4.32Å; W23-V27 WeakPolarHBondContact O-CB 3.22Å; W23-V27 VanDerWaalsContact O-CG2 3.26Å; W23-V27 WeakPolarHBondContact O-CG2 3.26Å; W23-V27 PolarHBondContact O-N 2.85Å; W23-F60 HydrophobicContact CD2-CB 4.46Å; W23-F60 AromaticContact CD2-CD1 3.92Å; W23-F60 HydrophobicContact CD2-CD1 3.92Å; W23-F60 AromaticContact CE3-CD1 3.49Å; W23-F60 HydrophobicContact CE3-CD1 3.49Å; W23-F60 VanDerWaalsContact CE3-CD1 3.49Å; W23-F60 HydrophobicContact CE3-CE1 4.1Å; W23-F60 HydrophobicContact CE3-CG 4.42Å; W23-F60 HydrophobicContact CH2-CB 3.79Å; W23-F60 AromaticContact CH2-CD1 3.84Å; W23-F60 HydrophobicContact CH2-CD1 3.84Å; W23-F60 HydrophobicContact CH2-CG 4.01Å; W23-F60 HydrophobicContact CZ2-CB 3.59Å; W23-F60 HydrophobicContact CZ2-CD1 4.24Å; W23-F60 HydrophobicContact CZ2-CG 4.28Å; W23-F60 HydrophobicContact CZ3-CB 4.3Å; W23-F60 AromaticContact CZ3-CD1 3.45Å; W23-F60 HydrophobicContact CZ3-CD1 3.45Å; W23-F60 VanDerWaalsContact CZ3-CD1 3.45Å; W23-F60 HydrophobicContact CZ3-CE1 4.05Å; W23-F60 HydrophobicContact CZ3-CG 4.09Å; W23-A61 PolarHBondContact NE1-O 2.79Å; W23-Y1397 AromaticContact CZ3-CD2 3.98Å; W23-Y1397 HydrophobicContact CZ3-CD2 3.98Å; W23-Y1397 HydrophobicContact CZ3-CE2 4.02Å |
| 24 | E | 65.8 | Low | 64.4 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 175 | -66.1 | -169 | -160.3 | 0 | 0 | 109.4 | K20 H21 V27 E28 K62 | K20-E24 HydrophobicContact CB-CB 4.47Å; K20-E24 HydrophobicContact CG-CB 3.97Å; K20-E24 VanDerWaalsContact CG-OE2 3.31Å; K20-E24 WeakPolarHBondContact CG-OE2 3.34Å; H21-E24 WeakPolarHBondContact O-CA 3.45Å; H21-E24 WeakPolarHBondContact O-CB 3.46Å; H21-E24 PolarHBondContact O-N 3.17Å; E24-V27 PolarHBondContact O-N 3.08Å; E24-E28 WeakPolarHBondContact O-CB 3.32Å; E24-E28 WeakPolarHBondContact O-CG 3.44Å; E24-E28 PolarHBondContact O-N 2.87Å; E24-K62 VanDerWaalsContact OE1-CE 3.27Å; E24-K62 WeakPolarHBondContact OE1-CE 3.47Å; E24-K62 IonicContact OE1-NZ 3.24Å; E24-K62 PolarHBondContact OE1-NZ 3.1Å; E24-K62 IonicContact OE2-NZ 2.7Å |
| 25 | H | 66.5 | Low | 62.2 | Low | 85 Ų | 85 | 59.7 Ų | 59.7 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 172.8 | -75.7 | -67.1 | 0 | 0 | 0 | 112.6 | H21 V27 E28 Q29 | H21-H25 PolarHBondContact O-N 3.36Å; H25-V27 VanDerWaalsContact C-N 3.26Å; H25-V27 PolarHBondContact O-N 2.88Å; H25-E28 PolarHBondContact O-N 3.34Å; H25-Q29 WeakPolarHBondContact O-CB 3.21Å; H25-Q29 VanDerWaalsContact O-CG 3.29Å; H25-Q29 WeakPolarHBondContact O-CG 3.1Å; H25-Q29 PolarHBondContact O-N 2.76Å |
| 26 | G | 64.5 | Low | 60.2 | Low | 19 Ų | 19 | 66.1 Ų | 66.1 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.1 | -16.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | P22 W23 R30 | P22-G26 PolarHBondContact O-N 3.31Å; W23-G26 PolarHBondContact O-N 3.48Å; G26-R30 WeakPolarHBondContact O-CG 3.42Å; G26-R30 PolarHBondContact O-NE 3.39Å |
| 27 | V | 64.8 | Low | 58.2 | Low | 8 Ų | 8 | 75.8 Ų | 75.8 | 5% | 0.048 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -87.2 | -42.7 | 168.5 | 169 | 0 | 0 | 0 | 0 | 110.6 | W23 E24 H25 Q29 R30 I31 L1164 Y1397 | W23-V27 HydrophobicContact CE3-CG2 4.32Å; W23-V27 WeakPolarHBondContact O-CB 3.22Å; W23-V27 VanDerWaalsContact O-CG2 3.26Å; W23-V27 WeakPolarHBondContact O-CG2 3.26Å; W23-V27 PolarHBondContact O-N 2.85Å; E24-V27 PolarHBondContact O-N 3.08Å; H25-V27 VanDerWaalsContact C-N 3.26Å; H25-V27 PolarHBondContact O-N 2.88Å; V27-Q29 PolarHBondContact O-N 3.47Å; V27-R30 PolarHBondContact O-N 2.83Å; V27-I31 HydrophobicContact CG1-CD1 3.69Å; V27-I31 HydrophobicContact CG1-CG1 4.39Å; V27-I31 VanDerWaalsContact O-CG1 3.3Å; V27-I31 WeakPolarHBondContact O-CG1 3.26Å; V27-I31 PolarHBondContact O-N 3.46Å; V27-L1164 HydrophobicContact CG1-CD2 3.94Å; V27-Y1397 HydrophobicContact CG1-CE2 3.84Å |
| 28 | E | 66.1 | Low | 56.1 | Low | 52 Ų | 52 | 78.4 Ų | 78.4 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 174.5 | -74 | -176.6 | 159 | 0 | 0 | 111.9 | K20 E24 H25 R30 I31 L32 | K20-E28 WeakPolarHBondContact CE-OE1 3.34Å; K20-E28 VanDerWaalsContact CE-OE2 3.3Å; K20-E28 WeakPolarHBondContact CE-OE2 3.35Å; K20-E28 IonicContact NZ-OE1 2.73Å; K20-E28 PolarHBondContact NZ-OE1 2.74Å; K20-E28 IonicContact NZ-OE2 3.29Å; K20-E28 PolarHBondContact NZ-OE2 3Å; E24-E28 WeakPolarHBondContact O-CB 3.32Å; E24-E28 WeakPolarHBondContact O-CG 3.44Å; E24-E28 PolarHBondContact O-N 2.87Å; H25-E28 PolarHBondContact O-N 3.34Å; E28-R30 PolarHBondContact O-N 2.88Å; E28-I31 PolarHBondContact O-N 3.24Å; E28-I31 VanDerWaalsContact O-N 3.15Å; E28-L32 WeakPolarHBondContact O-CB 3.38Å; E28-L32 VanDerWaalsContact O-CG 3.26Å; E28-L32 WeakPolarHBondContact O-CG 3.42Å; E28-L32 PolarHBondContact O-N 3.41Å |
| 29 | Q | 61.7 | Low | 54.4 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 53% | 0.533 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58 | -46 | 173.5 | -76.5 | 170.9 | -26.5 | 0 | 0 | 111.6 | H25 V27 I31 L32 Q33 | H25-Q29 WeakPolarHBondContact O-CB 3.21Å; H25-Q29 VanDerWaalsContact O-CG 3.29Å; H25-Q29 WeakPolarHBondContact O-CG 3.1Å; H25-Q29 PolarHBondContact O-N 2.76Å; V27-Q29 PolarHBondContact O-N 3.47Å; Q29-I31 VanDerWaalsContact C-N 3.32Å; Q29-I31 PolarHBondContact O-N 2.96Å; Q29-L32 PolarHBondContact O-N 2.79Å; Q29-Q33 VanDerWaalsContact O-CB 3.29Å; Q29-Q33 WeakPolarHBondContact O-CB 3.34Å; Q29-Q33 VanDerWaalsContact O-CG 3.27Å; Q29-Q33 WeakPolarHBondContact O-CG 3.35Å; Q29-Q33 PolarHBondContact O-N 3.3Å |
| 30 | R | 62 | Low | 52.5 | Low | 146 Ų | 146 | 85.8 Ų | 85.8 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.8 | -28.7 | 175.9 | -76.2 | -178.7 | -71.1 | 171.2 | -1.6 | 113.8 | G26 V27 E28 | G26-R30 WeakPolarHBondContact O-CG 3.42Å; G26-R30 PolarHBondContact O-NE 3.39Å; V27-R30 PolarHBondContact O-N 2.83Å; E28-R30 PolarHBondContact O-N 2.88Å |
| 31 | I | 56.6 | Low | 50.8 | Low | 30 Ų | 30 | 94.4 Ų | 94.4 | 15% | 0.154 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -75.4 | -28.4 | 174.2 | -71.5 | 168.1 | 0 | 0 | 0 | 112.1 | V27 E28 Q29 L1164 K1168 | V27-I31 HydrophobicContact CG1-CD1 3.69Å; V27-I31 HydrophobicContact CG1-CG1 4.39Å; V27-I31 VanDerWaalsContact O-CG1 3.3Å; V27-I31 WeakPolarHBondContact O-CG1 3.26Å; V27-I31 PolarHBondContact O-N 3.46Å; E28-I31 PolarHBondContact O-N 3.24Å; E28-I31 VanDerWaalsContact O-N 3.15Å; Q29-I31 VanDerWaalsContact C-N 3.32Å; Q29-I31 PolarHBondContact O-N 2.96Å; I31-L1164 HydrophobicContact CG1-CB 4.35Å; I31-L1164 HydrophobicContact CG1-CD1 4.46Å; I31-K1168 HydrophobicContact CG2-CD 3.95Å; I31-K1168 HydrophobicContact CG2-CG 4.26Å; I31-K1168 PolarHBondContact O-NZ 2.89Å |
| 32 | L | 48.2 | Very low | 49.1 | Very low | 149 Ų | 149 | 99 Ų | 99 | 78% | 0.78 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -85.9 | -32.9 | 177.2 | -70.4 | 167.6 | 0 | 0 | 0 | 112.8 | E28 Q29 G34 | E28-L32 WeakPolarHBondContact O-CB 3.38Å; E28-L32 VanDerWaalsContact O-CG 3.26Å; E28-L32 WeakPolarHBondContact O-CG 3.42Å; E28-L32 PolarHBondContact O-N 3.41Å; Q29-L32 PolarHBondContact O-N 2.79Å; L32-G34 VanDerWaalsContact C-N 3.26Å; L32-G34 PolarHBondContact O-N 2.71Å |
| 33 | Q | 42.3 | Very low | 47.8 | Very low | 139 Ų | 139 | 96.1 Ų | 96.1 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 6 | 179.3 | -73.8 | 173.4 | -27.5 | 0 | 0 | 114.7 | Q29 I35 | Q29-Q33 VanDerWaalsContact O-CB 3.29Å; Q29-Q33 WeakPolarHBondContact O-CB 3.34Å; Q29-Q33 VanDerWaalsContact O-CG 3.27Å; Q29-Q33 WeakPolarHBondContact O-CG 3.35Å; Q29-Q33 PolarHBondContact O-N 3.3Å; Q33-I35 VanDerWaalsContact C-N 3.27Å; Q33-I35 PolarHBondContact O-N 3.5Å |
| 34 | G | 39.6 | Very low | 46.2 | Very low | 58 Ų | 58 | 103.9 Ų | 103.9 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 13.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | L32 | L32-G34 VanDerWaalsContact C-N 3.26Å; L32-G34 PolarHBondContact O-N 2.71Å |
| 35 | I | 34.7 | Very low | 44.9 | Very low | 113 Ų | 113 | 109.1 Ų | 109.1 | 58% | 0.579 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.6 | 44.6 | -178.7 | -36.2 | -178.9 | 0 | 0 | 0 | 113.9 | Q33 R37 | Q33-I35 VanDerWaalsContact C-N 3.27Å; Q33-I35 PolarHBondContact O-N 3.5Å; I35-R37 PolarHBondContact O-N 3.2Å |
| 36 | D | 35.3 | Very low | 43.2 | Very low | 139 Ų | 139 | 114.8 Ų | 114.8 | 74% | 0.743 | 58% | 0.578 | S | S | * | * | trans | -83.9 | 94.3 | 165.6 | -101.7 | -43.3 | 0 | 0 | 0 | 113 | H38 | D36-H38 VanDerWaalsContact C-N 3.35Å; D36-H38 PolarHBondContact O-N 3.41Å | ||
| 37 | R | 32.7 | Very low | 42.5 | Very low | 222 Ų | 222 | 119 Ų | 119 | 84% | 0.838 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 41.2 | 19.3 | 143.6 | -60 | -168.9 | 178 | -156.4 | 0.7 | 122.7 | I35 | I35-R37 PolarHBondContact O-N 3.2Š|
| 38 | H | 30.9 | Very low | 41.8 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | trans | -126 | 102 | 171.7 | -105 | -82.6 | 0 | 0 | 0 | 115.8 | D36 W286 | D36-H38 VanDerWaalsContact C-N 3.35Å; D36-H38 PolarHBondContact O-N 3.41Å; H38-W286 AromaticContact CD2-CE3 3.73Å; H38-W286 AromaticContact CD2-CZ3 3.95Å; H38-W286 AromaticContact NE2-CE3 3.64Å; H38-W286 AromaticContact NE2-CZ3 3.88Å | ||
| 39 | S | 34.4 | Very low | 41.4 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -154.2 | 50.4 | 159.7 | 73.3 | 0 | 0 | 0 | 0 | 113 | R41 | S39-R41 PolarHBondContact O-N 3.44Š| ||
| 40 | T | 32.7 | Very low | 41.5 | Very low | 72 Ų | 72 | 123 Ų | 123 | 44% | 0.442 | 65% | 0.647 | S | S | . | * | trans | -78.7 | 91.6 | 175.8 | 47.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 41 | R | 36.8 | Very low | 41.8 | Very low | 202 Ų | 202 | 120.1 Ų | 120.1 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | -155.1 | 117.2 | 146.8 | -126.4 | -179.6 | -174.2 | -167.1 | 1.9 | 110.9 | S39 G43 | S39-R41 PolarHBondContact O-N 3.44Å; R41-G43 PolarHBondContact O-N 2.82Å | ||
| 42 | D | 30.9 | Very low | 42.4 | Very low | 109 Ų | 109 | 122.4 Ų | 122.4 | 58% | 0.583 | 66% | 0.658 | S | S | * | * | trans | -72 | 94.9 | -170.1 | -63.7 | -78.7 | 0 | 0 | 0 | 114.2 | P293 | D42-P293 HydrophobicContact CB-CB 3.95Å; D42-P293 HydrophobicContact CB-CG 3.75Å | ||
| 43 | G | 32.9 | Very low | 43.1 | Very low | 57 Ų | 57 | 118.7 Ų | 118.7 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | trans | -100.5 | 111.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | R41 T45 | R41-G43 PolarHBondContact O-N 2.82Å; G43-T45 PolarHBondContact O-N 2.74Å | ||
| 44 | K | 30.7 | Very low | 44.3 | Very low | 212 Ų | 212 | 113.5 Ų | 113.5 | 92% | 0.922 | 62% | 0.617 | S | S | * | * | trans | -68.7 | 74.1 | 165.9 | -81 | -173.3 | 176.8 | 178 | 0 | 110.1 | R46 | K44-R46 PolarHBondContact O-N 3.29Å; K44-R46 VanDerWaalsContact O-N 3.1Å | ||
| 45 | T | 38.5 | Very low | 45.5 | Very low | 125 Ų | 125 | 111.5 Ų | 111.5 | 77% | 0.767 | 59% | 0.592 | S | S | * | * | trans | -58.3 | 114 | 164.6 | 51.7 | 0 | 0 | 0 | 0 | 107.5 | G43 S47 | G43-T45 PolarHBondContact O-N 2.74Å; T45-S47 PolarHBondContact O-N 2.85Å | ||
| 46 | R | 31.8 | Very low | 46.8 | Very low | 203 Ų | 203 | 113 Ų | 113 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | trans | -55.8 | 105 | -175.3 | -77.9 | -179.3 | 171.1 | 179.1 | -2.9 | 109.9 | K44 G48 L49 | K44-R46 PolarHBondContact O-N 3.29Å; K44-R46 VanDerWaalsContact O-N 3.1Å; R46-G48 PolarHBondContact O-N 3.33Å; R46-L49 HydrophobicContact CB-CD1 4.02Å; R46-L49 HydrophobicContact CB-CG 4.4Å; R46-L49 PolarHBondContact O-N 3.14Å; R46-L49 VanDerWaalsContact O-N 3.08Å | ||
| 47 | S | 49.7 | Very low | 48.1 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 75% | 0.748 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -15.5 | -167.3 | 46.9 | 0 | 0 | 0 | 0 | 114.9 | T45 | T45-S47 PolarHBondContact O-N 2.85Š|
| 48 | G | 50 | Low | 49.3 | Very low | 75 Ų | 75 | 97.6 Ų | 97.6 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R46 | R46-G48 PolarHBondContact O-N 3.33Š|
| 49 | L | 57.8 | Low | 50.4 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | trans | -105.3 | 125.6 | 175.1 | -70.5 | 172 | 0 | 0 | 0 | 110.9 | R46 | R46-L49 HydrophobicContact CB-CD1 4.02Å; R46-L49 HydrophobicContact CB-CG 4.4Å; R46-L49 PolarHBondContact O-N 3.14Å; R46-L49 VanDerWaalsContact O-N 3.08Å | ||
| 50 | I | 62.8 | Low | 51.6 | Low | 61 Ų | 61 | 91 Ų | 91 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | trans | -101.1 | 120.8 | 168.2 | -54.6 | 177.7 | 0 | 0 | 0 | 107.4 | I55 K1389 | I50-I55 HydrophobicContact CG2-CD1 3.83Å; I50-I55 HydrophobicContact CG2-CG1 3.87Å; I50-K1389 HydrophobicContact CD1-CB 4.46Å | ||
| 51 | D | 68.7 | Low | 52.6 | Low | 86 Ų | 86 | 90.2 Ų | 90.2 | 46% | 0.46 | 49% | 0.49 | S | S | . | . | trans | -72.8 | 135.1 | 176.2 | -175.6 | -3.6 | 0 | 0 | 0 | 110.8 | D53 V54 I55 | D51-D53 PolarHBondContact O-N 3.29Å; D51-D53 PolarHBondContact OD1-N 3.34Å; D51-V54 HydrophobicContact CB-CB 4.44Å; D51-V54 HydrophobicContact CB-CG2 4.04Å; D51-V54 WeakPolarHBondContact O-CB 3.47Å; D51-V54 PolarHBondContact O-N 3.32Å; D51-I55 PolarHBondContact O-N 3.45Å | ||
| 52 | V | 68.3 | Low | 53.9 | Low | 78 Ų | 78 | 82.5 Ų | 82.5 | 47% | 0.473 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.6 | -32.7 | 173.8 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | V54 I55 R56 | V52-V54 VanDerWaalsContact C-N 3.27Å; V52-V54 PolarHBondContact O-N 3.23Å; V52-I55 PolarHBondContact O-N 3.25Å; V52-I55 VanDerWaalsContact O-N 3.13Å; V52-R56 VanDerWaalsContact O-CB 3.27Å; V52-R56 WeakPolarHBondContact O-CB 3.32Å; V52-R56 PolarHBondContact O-N 2.94Å |
| 53 | D | 64.5 | Low | 55.1 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73 | -15.8 | 176.3 | -84 | -10 | 0 | 0 | 0 | 113.6 | D51 G57 S58 V59 | D51-D53 PolarHBondContact O-N 3.29Å; D51-D53 PolarHBondContact OD1-N 3.34Å; D53-G57 CarbonylContact O-C 3.56Å; D53-G57 WeakPolarHBondContact O-CA 3.27Å; D53-G57 PolarHBondContact O-N 3.27Å; D53-S58 VanDerWaalsContact CG-OG 3.24Å; D53-S58 PolarHBondContact O-N 3.36Å; D53-S58 WeakPolarHBondContact OD1-CB 3.35Å; D53-S58 PolarHBondContact OD1-OG 2.74Å; D53-V59 HydrophobicContact CB-CG2 4.01Å; D53-V59 PolarHBondContact O-N 3.35Å |
| 54 | V | 67.5 | Low | 56.3 | Low | 29 Ų | 29 | 85.8 Ų | 85.8 | 18% | 0.176 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -76.3 | -38.7 | 165.9 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | D51 V52 G57 V59 M1393 S1396 | D51-V54 HydrophobicContact CB-CB 4.44Å; D51-V54 HydrophobicContact CB-CG2 4.04Å; D51-V54 WeakPolarHBondContact O-CB 3.47Å; D51-V54 PolarHBondContact O-N 3.32Å; V52-V54 VanDerWaalsContact C-N 3.27Å; V52-V54 PolarHBondContact O-N 3.23Å; V54-G57 PolarHBondContact O-N 3.27Å; V54-V59 HydrophobicContact CG2-CB 4.43Å; V54-V59 HydrophobicContact CG2-CG2 3.8Å; V54-M1393 HydrophobicContact CG1-CB 4.42Å; V54-M1393 HydrophobicContact CG1-CG 3.53Å; V54-S1396 WeakPolarHBondContact O-CB 3.17Å; V54-S1396 PolarHBondContact O-OG 3.35Å |
| 55 | I | 64.6 | Low | 57.6 | Low | 16 Ų | 16 | 77.9 Ų | 77.9 | 8% | 0.082 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -73.6 | -49.3 | -178.3 | -59.2 | 175.3 | 0 | 0 | 0 | 110.9 | I50 D51 V52 G57 L1392 L1511 L1512 | I50-I55 HydrophobicContact CG2-CD1 3.83Å; I50-I55 HydrophobicContact CG2-CG1 3.87Å; D51-I55 PolarHBondContact O-N 3.45Å; V52-I55 PolarHBondContact O-N 3.25Å; V52-I55 VanDerWaalsContact O-N 3.13Å; I55-G57 PolarHBondContact O-N 3.39Å; I55-L1392 HydrophobicContact CD1-CD1 4.41Å; I55-L1392 HydrophobicContact CG1-CD1 4.28Å; I55-L1392 HydrophobicContact CG2-CD2 4.46Å; I55-L1511 HydrophobicContact CD1-CD1 3.63Å; I55-L1512 HydrophobicContact CG2-CD2 4.07Å |
| 56 | R | 61.5 | Low | 58.3 | Low | 144 Ų | 144 | 76 Ų | 76 | 54% | 0.543 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -65.8 | -19.1 | 170.8 | -168.4 | 173.6 | -166 | 98.5 | -0.3 | 112.2 | V52 S58 V1515 | V52-R56 VanDerWaalsContact O-CB 3.27Å; V52-R56 WeakPolarHBondContact O-CB 3.32Å; V52-R56 PolarHBondContact O-N 2.94Å; R56-S58 VanDerWaalsContact C-N 3.27Å; R56-S58 PolarHBondContact O-N 2.94Å; R56-V1515 HydrophobicContact CB-CG1 3.86Å; R56-V1515 HydrophobicContact CG-CG1 3.94Å |
| 57 | G | 63 | Low | 59.8 | Low | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | trans | 73.1 | 13.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D53 V54 I55 V59 F60 K1400 | D53-G57 CarbonylContact O-C 3.56Å; D53-G57 WeakPolarHBondContact O-CA 3.27Å; D53-G57 PolarHBondContact O-N 3.27Å; V54-G57 PolarHBondContact O-N 3.27Å; I55-G57 PolarHBondContact O-N 3.39Å; G57-V59 PolarHBondContact O-N 3.04Å; G57-F60 CarbonylContact O-C 3.58Å; G57-F60 WeakPolarHBondContact O-CA 3.41Å; G57-F60 WeakPolarHBondContact O-CB 3.29Å; G57-F60 PolarHBondContact O-N 3.05Å; G57-K1400 WeakPolarHBondContact O-CD 3.39Å; G57-K1400 WeakPolarHBondContact O-CE 3.31Å; G57-K1400 PolarHBondContact O-NZ 3.11Å | ||
| 58 | S | 57.3 | Low | 60.6 | Low | 37 Ų | 37 | 67.5 Ų | 67.5 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.6 | 174.3 | -28.4 | 0 | 0 | 0 | 0 | 112.4 | D53 R56 F60 A61 | D53-S58 VanDerWaalsContact CG-OG 3.24Å; D53-S58 PolarHBondContact O-N 3.36Å; D53-S58 WeakPolarHBondContact OD1-CB 3.35Å; D53-S58 PolarHBondContact OD1-OG 2.74Å; R56-S58 VanDerWaalsContact C-N 3.27Å; R56-S58 PolarHBondContact O-N 2.94Å; S58-F60 PolarHBondContact O-N 2.8Å; S58-A61 WeakPolarHBondContact O-CA 3.47Å; S58-A61 WeakPolarHBondContact O-CB 3.5Å; S58-A61 PolarHBondContact O-N 2.68Å |
| 59 | V | 54.4 | Low | 61.7 | Low | 74 Ų | 74 | 70.8 Ų | 70.8 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -38 | 170.2 | 167 | 0 | 0 | 0 | 0 | 111.7 | D53 V54 G57 A61 | D53-V59 HydrophobicContact CB-CG2 4.01Å; D53-V59 PolarHBondContact O-N 3.35Å; V54-V59 HydrophobicContact CG2-CB 4.43Å; V54-V59 HydrophobicContact CG2-CG2 3.8Å; G57-V59 PolarHBondContact O-N 3.04Å; V59-A61 PolarHBondContact O-N 2.87Å; V59-A61 VanDerWaalsContact O-N 3.12Å |
| 60 | F | 59.4 | Low | 62.7 | Low | 28 Ų | 28 | 70.3 Ų | 70.3 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -85.7 | 50.7 | 172.2 | -58.2 | -53.5 | 0 | 0 | 0 | 110.7 | W23 G57 S58 K62 S1396 Y1397 K1400 | W23-F60 HydrophobicContact CD2-CB 4.46Å; W23-F60 AromaticContact CD2-CD1 3.92Å; W23-F60 HydrophobicContact CD2-CD1 3.92Å; W23-F60 AromaticContact CE3-CD1 3.49Å; W23-F60 HydrophobicContact CE3-CD1 3.49Å; W23-F60 VanDerWaalsContact CE3-CD1 3.49Å; W23-F60 HydrophobicContact CE3-CE1 4.1Å; W23-F60 HydrophobicContact CE3-CG 4.42Å; W23-F60 HydrophobicContact CH2-CB 3.79Å; W23-F60 AromaticContact CH2-CD1 3.84Å; W23-F60 HydrophobicContact CH2-CD1 3.84Å; W23-F60 HydrophobicContact CH2-CG 4.01Å; W23-F60 HydrophobicContact CZ2-CB 3.59Å; W23-F60 HydrophobicContact CZ2-CD1 4.24Å; W23-F60 HydrophobicContact CZ2-CG 4.28Å; W23-F60 HydrophobicContact CZ3-CB 4.3Å; W23-F60 AromaticContact CZ3-CD1 3.45Å; W23-F60 HydrophobicContact CZ3-CD1 3.45Å; W23-F60 VanDerWaalsContact CZ3-CD1 3.45Å; W23-F60 HydrophobicContact CZ3-CE1 4.05Å; W23-F60 HydrophobicContact CZ3-CG 4.09Å; G57-F60 CarbonylContact O-C 3.58Å; G57-F60 WeakPolarHBondContact O-CA 3.41Å; G57-F60 WeakPolarHBondContact O-CB 3.29Å; G57-F60 PolarHBondContact O-N 3.05Å; S58-F60 PolarHBondContact O-N 2.8Å; F60-K62 PolarHBondContact O-N 2.88Å; F60-S1396 WeakPolarHBondContact CE2-OG 3.39Å; F60-Y1397 HydrophobicContact CE1-CD2 4.46Å; F60-Y1397 HydrophobicContact CZ-CD2 4.45Å; F60-K1400 HydrophobicContact CB-CD 3.72Å; F60-K1400 WeakPolarHBondContact O-CD 3.49Å; F60-K1400 PolarHBondContact O-NZ 2.85Å |
| 61 | A | 54 | Low | 63.5 | Low | 56 Ų | 56 | 68.8 Ų | 68.8 | 46% | 0.463 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 135.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W23 S58 V59 | W23-A61 PolarHBondContact NE1-O 2.79Å; S58-A61 WeakPolarHBondContact O-CA 3.47Å; S58-A61 WeakPolarHBondContact O-CB 3.5Å; S58-A61 PolarHBondContact O-N 2.68Å; V59-A61 PolarHBondContact O-N 2.87Å; V59-A61 VanDerWaalsContact O-N 3.12Å |
| 62 | K | 63 | Low | 63.8 | Low | 40 Ų | 40 | 65 Ų | 65 | 17% | 0.174 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -93 | 138 | 165.4 | -67.6 | -121.1 | -179.3 | -153.2 | 0 | 109.2 | D19 H21 E24 F60 K64 K1400 G1402 Q1404 | D19-K62 PolarHBondContact O-NZ 3.07Å; D19-K62 WeakPolarHBondContact OD2-CE 3.47Å; D19-K62 IonicContact OD2-NZ 2.8Å; D19-K62 PolarHBondContact OD2-NZ 3.01Å; H21-K62 VanDerWaalsContact CD2-CA 3.41Å; H21-K62 WeakPolarHBondContact CD2-CA 3.35Å; H21-K62 WeakPolarHBondContact NE2-CA 3.25Å; E24-K62 VanDerWaalsContact OE1-CE 3.27Å; E24-K62 WeakPolarHBondContact OE1-CE 3.47Å; E24-K62 IonicContact OE1-NZ 3.24Å; E24-K62 PolarHBondContact OE1-NZ 3.1Å; E24-K62 IonicContact OE2-NZ 2.7Å; F60-K62 PolarHBondContact O-N 2.88Å; K62-K64 PolarHBondContact O-N 3.32Å; K62-K1400 VanDerWaalsContact CE-O 3.26Å; K62-K1400 WeakPolarHBondContact CE-O 3.47Å; K62-G1402 PolarHBondContact NZ-O 3.43Å; K62-Q1404 HydrophobicContact CD-CB 4.32Å |
| 63 | A | 55.9 | Low | 64.5 | Low | 45 Ų | 45 | 63.2 Ų | 63.2 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -68 | 121.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | H21 R1405 | H21-A63 PolarHBondContact CD2-N 3.46Å; H21-A63 WeakPolarHBondContact CE1-CB 3.42Å; H21-A63 PolarHBondContact CE1-N 2.8Å; H21-A63 WeakPolarHBondContact ND1-CB 3.44Å; H21-A63 PolarHBondContact NE2-N 3.47Å; A63-R1405 PolarHBondContact O-NH1 2.78Å |
| 64 | K | 58.7 | Low | 65.4 | Low | 191 Ų | 191 | 67.7 Ų | 67.7 | 83% | 0.83 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 156.3 | 165.6 | -58.9 | 177.4 | -174.6 | 176 | 0 | 108.6 | K62 G66 | K62-K64 PolarHBondContact O-N 3.32Å; K64-G66 PolarHBondContact O-N 3.12Å |
| 65 | T | 58.7 | Low | 66.1 | Low | 46 Ų | 46 | 70.7 Ų | 70.7 | 28% | 0.282 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 129.8 | 170.6 | -0.6 | 0 | 0 | 0 | 0 | 108.4 | H67 A150 R1405 | T65-H67 WeakPolarHBondContact CB-O 3.45Å; T65-H67 HydrophobicContact CG2-CB 4.49Å; T65-H67 PolarHBondContact O-N 3.47Å; T65-A150 HydrophobicContact CG2-CB 3.43Å; T65-A150 VanDerWaalsContact CG2-CB 3.43Å; T65-R1405 PolarHBondContact OG1-NH1 2.82Å; T65-R1405 PolarHBondContact OG1-NH2 2.91Å |
| 66 | G | 53.7 | Low | 67 | Low | 85 Ų | 85 | 70 Ų | 70 | 88% | 0.876 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -68.1 | -23 | 167 | 0 | 0 | 0 | 0 | 0 | 112.6 | K64 | K64-G66 PolarHBondContact O-N 3.12Š|
| 67 | H | 61.6 | Low | 68 | Low | 81 Ų | 81 | 67.2 Ų | 67.2 | 38% | 0.375 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -82.5 | 132.1 | 174.3 | -62.9 | 92.8 | 0 | 0 | 0 | 111.5 | T65 A71 | T65-H67 WeakPolarHBondContact CB-O 3.45Å; T65-H67 HydrophobicContact CG2-CB 4.49Å; T65-H67 PolarHBondContact O-N 3.47Å; H67-A71 HydrophobicContact CB-CB 4.47Å |
| 68 | G | 67.5 | Low | 69.1 | Low | 50 Ų | 50 | 70.1 Ų | 70.1 | 52% | 0.515 | 39% | 0.387 | S | S | . | . | trans | -58.1 | 152.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M70 A71 A72 | G68-M70 VanDerWaalsContact C-N 3.35Å; G68-M70 PolarHBondContact O-N 3.05Å; G68-A71 WeakPolarHBondContact O-CB 3.37Å; G68-A71 PolarHBondContact O-N 2.81Å; G68-A72 PolarHBondContact O-N 3.2Å | ||
| 69 | W | 71.9 | Confident | 70.4 | Confident | 144 Ų | 144 | 70.7 Ų | 70.7 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | -173.6 | 73 | -78.7 | 0 | 0 | 0 | 112.6 | A71 A72 V73 W1524 | W69-A71 VanDerWaalsContact C-N 3.28Å; W69-A71 PolarHBondContact O-N 3.14Å; W69-A72 WeakPolarHBondContact O-CB 3.23Å; W69-A72 PolarHBondContact O-N 3.04Å; W69-A72 VanDerWaalsContact O-N 3.08Å; W69-V73 HydrophobicContact CE3-CG2 4.32Å; W69-V73 PolarHBondContact O-N 3.01Å; W69-W1524 HydrophobicContact CB-CH2 3.9Å; W69-W1524 HydrophobicContact CB-CZ2 3.92Å; W69-W1524 AromaticContact CD1-CH2 3.74Å; W69-W1524 AromaticContact CD2-CH2 3.75Å; W69-W1524 HydrophobicContact CD2-CH2 3.75Å; W69-W1524 HydrophobicContact CD2-CZ3 4.3Å; W69-W1524 HydrophobicContact CE3-CH2 4.36Å; W69-W1524 AromaticContact CG-CH2 3.52Å; W69-W1524 HydrophobicContact CG-CH2 3.52Å; W69-W1524 HydrophobicContact CG-CZ2 4.08Å; W69-W1524 HydrophobicContact CG-CZ3 4.49Å |
| 70 | M | 79.7 | Confident | 71.8 | Confident | 113 Ų | 113 | 68.4 Ų | 68.4 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.3 | -35.6 | 173.6 | -71.6 | -59.4 | -73.3 | 0 | 0 | 113.3 | G68 V73 R74 | G68-M70 VanDerWaalsContact C-N 3.35Å; G68-M70 PolarHBondContact O-N 3.05Å; M70-V73 PolarHBondContact O-N 3.11Å; M70-R74 WeakPolarHBondContact O-CB 3.32Å; M70-R74 PolarHBondContact O-N 2.84Å |
| 71 | A | 78.9 | Confident | 72.9 | Confident | 30 Ų | 30 | 69.6 Ų | 69.6 | 25% | 0.248 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H67 G68 W69 R74 W75 | H67-A71 HydrophobicContact CB-CB 4.47Å; G68-A71 WeakPolarHBondContact O-CB 3.37Å; G68-A71 PolarHBondContact O-N 2.81Å; W69-A71 VanDerWaalsContact C-N 3.28Å; W69-A71 PolarHBondContact O-N 3.14Å; A71-R74 PolarHBondContact O-N 3.19Å; A71-W75 WeakPolarHBondContact O-CB 3.5Å; A71-W75 PolarHBondContact O-N 3.18Å |
| 72 | A | 76.7 | Confident | 74.2 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 5% | 0.05 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G68 W69 G76 | G68-A72 PolarHBondContact O-N 3.2Å; W69-A72 WeakPolarHBondContact O-CB 3.23Å; W69-A72 PolarHBondContact O-N 3.04Å; W69-A72 VanDerWaalsContact O-N 3.08Å; A72-G76 PolarHBondContact O-N 3.33Å |
| 73 | V | 82.2 | Confident | 75.2 | Confident | 40 Ų | 40 | 70 Ų | 70 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -49.7 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | W69 M70 W75 G76 L77 I143 | W69-V73 HydrophobicContact CE3-CG2 4.32Å; W69-V73 PolarHBondContact O-N 3.01Å; M70-V73 PolarHBondContact O-N 3.11Å; V73-W75 PolarHBondContact O-N 2.98Å; V73-G76 WeakPolarHBondContact O-CA 3.29Å; V73-G76 PolarHBondContact O-N 3.4Å; V73-L77 PolarHBondContact O-N 2.96Å; V73-I143 HydrophobicContact CG1-CD1 4.45Å; V73-I143 HydrophobicContact CG2-CG2 4.47Å |
| 74 | R | 84 | Confident | 76.5 | Confident | 166 Ų | 166 | 70 Ų | 70 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.1 | -47.4 | 178.7 | -169.9 | 177.7 | 78.8 | 175 | 6.1 | 111.8 | M70 A71 G76 L78 | M70-R74 WeakPolarHBondContact O-CB 3.32Å; M70-R74 PolarHBondContact O-N 2.84Å; A71-R74 PolarHBondContact O-N 3.19Å; R74-G76 VanDerWaalsContact C-N 3.31Å; R74-G76 PolarHBondContact O-N 3.2Å; R74-L78 VanDerWaalsContact O-CB 3.29Å; R74-L78 WeakPolarHBondContact O-CB 3.36Å; R74-L78 PolarHBondContact O-N 2.87Å |
| 75 | W | 82.1 | Confident | 77.7 | Confident | 91 Ų | 91 | 69 Ų | 69 | 35% | 0.345 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -31.3 | 174.9 | -73.5 | 124.7 | 0 | 0 | 0 | 112.8 | A71 V73 L78 R79 | A71-W75 WeakPolarHBondContact O-CB 3.5Å; A71-W75 PolarHBondContact O-N 3.18Å; V73-W75 PolarHBondContact O-N 2.98Å; W75-L78 HydrophobicContact CE3-CD2 4.02Å; W75-L78 HydrophobicContact CZ3-CD2 3.89Å; W75-R79 WeakPolarHBondContact O-CB 3.34Å; W75-R79 WeakPolarHBondContact O-CD 3.08Å; W75-R79 WeakPolarHBondContact O-CG 3.46Å; W75-R79 PolarHBondContact O-N 3.03Å |
| 76 | G | 82.1 | Confident | 78.9 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.6 | -54.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A72 V73 R74 L78 R79 V80 A146 | A72-G76 PolarHBondContact O-N 3.33Å; V73-G76 WeakPolarHBondContact O-CA 3.29Å; V73-G76 PolarHBondContact O-N 3.4Å; R74-G76 VanDerWaalsContact C-N 3.31Å; R74-G76 PolarHBondContact O-N 3.2Å; G76-L78 PolarHBondContact O-N 2.94Å; G76-R79 PolarHBondContact O-N 3.24Å; G76-V80 WeakPolarHBondContact O-CG2 3.37Å; G76-V80 PolarHBondContact O-N 3.5Å; G76-V80 VanDerWaalsContact O-N 3.14Å; G76-A146 VanDerWaalsContact CA-CB 3.48Å |
| 77 | L | 84.4 | Confident | 80.2 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.8 | -49.8 | 178.5 | -173.6 | 68.8 | 0 | 0 | 0 | 111.5 | V73 R79 V80 A81 I139 | V73-L77 PolarHBondContact O-N 2.96Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.17Å; L77-V80 PolarHBondContact O-N 3.19Å; L77-V80 VanDerWaalsContact O-N 3.1Å; L77-A81 PolarHBondContact O-N 3.43Å; L77-I139 HydrophobicContact CD1-CG2 3.82Å |
| 78 | L | 84.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 71 Ų | 71 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | -179.4 | -167.4 | 69.5 | 0 | 0 | 0 | 112.6 | R74 W75 G76 F82 Y86 | R74-L78 VanDerWaalsContact O-CB 3.29Å; R74-L78 WeakPolarHBondContact O-CB 3.36Å; R74-L78 PolarHBondContact O-N 2.87Å; W75-L78 HydrophobicContact CE3-CD2 4.02Å; W75-L78 HydrophobicContact CZ3-CD2 3.89Å; G76-L78 PolarHBondContact O-N 2.94Å; L78-F82 HydrophobicContact CD1-CD2 3.8Å; L78-F82 HydrophobicContact CD1-CE2 3.97Å; L78-F82 HydrophobicContact CG-CD2 4.48Å; L78-F82 PolarHBondContact O-N 3.09Å; L78-Y86 HydrophobicContact CD2-CE2 4.44Å; L78-Y86 VanDerWaalsContact CD2-OH 3.23Å; L78-Y86 WeakPolarHBondContact CD2-OH 3.3Å; L78-Y86 HydrophobicContact CG-CE2 4Å |
| 79 | R | 84.5 | Confident | 81.9 | Confident | 49 Ų | 49 | 69.8 Ų | 69.8 | 19% | 0.185 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -77.6 | -16 | 177.3 | -70.4 | 168.2 | -170.3 | 164.9 | 5.5 | 114.4 | W75 G76 L77 A83 Y86 Y89 W90 | W75-R79 WeakPolarHBondContact O-CB 3.34Å; W75-R79 WeakPolarHBondContact O-CD 3.08Å; W75-R79 WeakPolarHBondContact O-CG 3.46Å; W75-R79 PolarHBondContact O-N 3.03Å; G76-R79 PolarHBondContact O-N 3.24Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.17Å; R79-A83 WeakPolarHBondContact O-CA 3.32Å; R79-Y86 HydrophobicContact CB-CD2 4.39Å; R79-Y86 HydrophobicContact CB-CG 4.27Å; R79-Y86 HydrophobicContact CG-CD1 3.78Å; R79-Y86 HydrophobicContact CG-CD2 4.08Å; R79-Y86 HydrophobicContact CG-CE1 4.19Å; R79-Y86 HydrophobicContact CG-CE2 4.48Å; R79-Y86 HydrophobicContact CG-CG 3.73Å; R79-Y89 HydrophobicContact CG-CD1 4.31Å; R79-Y89 HydrophobicContact CG-CE1 4.49Å; R79-Y89 VanDerWaalsContact NH1-CE2 3.27Å; R79-W90 HydrophobicContact CB-CZ2 4.3Å; R79-W90 WeakPolarHBondContact O-CZ2 3.25Å; R79-W90 PolarHBondContact O-NE1 3.3Å |
| 80 | V | 83.8 | Confident | 82.4 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -87 | -53.8 | 171.7 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | G76 L77 F82 A83 F106 I139 | G76-V80 WeakPolarHBondContact O-CG2 3.37Å; G76-V80 PolarHBondContact O-N 3.5Å; G76-V80 VanDerWaalsContact O-N 3.14Å; L77-V80 PolarHBondContact O-N 3.19Å; L77-V80 VanDerWaalsContact O-N 3.1Å; V80-F82 PolarHBondContact O-N 3.36Å; V80-A83 WeakPolarHBondContact O-CB 3.24Å; V80-A83 PolarHBondContact O-N 3.39Å; V80-F106 WeakPolarHBondContact O-CE2 3.31Å; V80-I139 HydrophobicContact CG1-CG1 4.06Å |
| 81 | A | 82.1 | Confident | 82.6 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.7 | -39.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | L77 F106 | L77-A81 PolarHBondContact O-N 3.43Å; A81-F106 WeakPolarHBondContact O-CE2 3.44Å |
| 82 | F | 83 | Confident | 82.6 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 39.9 | 179.9 | -59.3 | -76.2 | 0 | 0 | 0 | 112.1 | L78 V80 P84 F85 Y86 | L78-F82 HydrophobicContact CD1-CD2 3.8Å; L78-F82 HydrophobicContact CD1-CE2 3.97Å; L78-F82 HydrophobicContact CG-CD2 4.48Å; L78-F82 PolarHBondContact O-N 3.09Å; V80-F82 PolarHBondContact O-N 3.36Å; F82-P84 VanDerWaalsContact C-CD 3.45Å; F82-P84 VanDerWaalsContact C-N 3.33Å; F82-F85 HydrophobicContact CB-CB 4.31Å; F82-F85 HydrophobicContact CB-CD2 3.87Å; F82-F85 HydrophobicContact CB-CG 4.49Å; F82-F85 HydrophobicContact CD1-CD2 4.01Å; F82-F85 HydrophobicContact CD1-CE2 4.11Å; F82-F85 HydrophobicContact CG-CD2 4.42Å; F82-F85 PolarHBondContact O-N 2.91Å; F82-Y86 HydrophobicContact CB-CD2 4.07Å; F82-Y86 HydrophobicContact CB-CE2 4.11Å; F82-Y86 WeakPolarHBondContact O-CD2 3.47Å; F82-Y86 PolarHBondContact O-N 3.09Å; F82-Y86 VanDerWaalsContact O-N 3.17Å |
| 83 | A | 82.5 | Confident | 82.5 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.033 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -41.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R79 V80 Y86 W87 M103 F106 | R79-A83 WeakPolarHBondContact O-CA 3.32Å; V80-A83 WeakPolarHBondContact O-CB 3.24Å; V80-A83 PolarHBondContact O-N 3.39Å; A83-Y86 CarbonylContact O-C 3.39Å; A83-Y86 PolarHBondContact O-N 3.2Å; A83-W87 PolarHBondContact O-N 2.99Å; A83-M103 HydrophobicContact CB-CE 4.02Å; A83-M103 HydrophobicContact CB-SD 4.49Å; A83-M103 WeakPolarHBondContact O-CE 3.05Å; A83-F106 HydrophobicContact CB-CB 4.47Å; A83-F106 HydrophobicContact CB-CD2 3.71Å; A83-F106 HydrophobicContact CB-CE2 4.11Å; A83-F106 HydrophobicContact CB-CG 4.09Å |
| 84 | P | 83.4 | Confident | 82.3 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -46.3 | 174.9 | -25.7 | 36.3 | 0 | 0 | 0 | 113.5 | F82 Y86 W87 M103 F106 | F82-P84 VanDerWaalsContact C-CD 3.45Å; F82-P84 VanDerWaalsContact C-N 3.33Å; P84-Y86 PolarHBondContact O-N 2.8Å; P84-W87 WeakPolarHBondContact O-CB 3.28Å; P84-W87 PolarHBondContact O-N 2.78Å; P84-M103 HydrophobicContact CG-SD 4.43Å; P84-F106 HydrophobicContact CG-CD1 3.75Å; P84-F106 HydrophobicContact CG-CE1 3.56Å; P84-F106 HydrophobicContact CG-CZ 4.28Å |
| 85 | F | 85.2 | Confident | 82.2 | Confident | 171 Ų | 171 | 61.9 Ų | 61.9 | 75% | 0.75 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.6 | 177.4 | -62.4 | -86.7 | 0 | 0 | 0 | 111.9 | F82 W87 | F82-F85 HydrophobicContact CB-CB 4.31Å; F82-F85 HydrophobicContact CB-CD2 3.87Å; F82-F85 HydrophobicContact CB-CG 4.49Å; F82-F85 HydrophobicContact CD1-CD2 4.01Å; F82-F85 HydrophobicContact CD1-CE2 4.11Å; F82-F85 HydrophobicContact CG-CD2 4.42Å; F82-F85 PolarHBondContact O-N 2.91Å; F85-W87 VanDerWaalsContact C-N 3.29Å; F85-W87 PolarHBondContact O-N 3.3Å |
| 86 | Y | 82.8 | Confident | 82.2 | Confident | 70 Ų | 70 | 63.4 Ų | 63.4 | 28% | 0.275 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 17.6 | 175.6 | -72.2 | -77.4 | 0 | 0 | 0 | 114.4 | L78 R79 F82 A83 P84 N88 Y89 W90 | L78-Y86 HydrophobicContact CD2-CE2 4.44Å; L78-Y86 VanDerWaalsContact CD2-OH 3.23Å; L78-Y86 WeakPolarHBondContact CD2-OH 3.3Å; L78-Y86 HydrophobicContact CG-CE2 4Å; R79-Y86 HydrophobicContact CB-CD2 4.39Å; R79-Y86 HydrophobicContact CB-CG 4.27Å; R79-Y86 HydrophobicContact CG-CD1 3.78Å; R79-Y86 HydrophobicContact CG-CD2 4.08Å; R79-Y86 HydrophobicContact CG-CE1 4.19Å; R79-Y86 HydrophobicContact CG-CE2 4.48Å; R79-Y86 HydrophobicContact CG-CG 3.73Å; F82-Y86 HydrophobicContact CB-CD2 4.07Å; F82-Y86 HydrophobicContact CB-CE2 4.11Å; F82-Y86 WeakPolarHBondContact O-CD2 3.47Å; F82-Y86 PolarHBondContact O-N 3.09Å; F82-Y86 VanDerWaalsContact O-N 3.17Å; A83-Y86 CarbonylContact O-C 3.39Å; A83-Y86 PolarHBondContact O-N 3.2Å; P84-Y86 PolarHBondContact O-N 2.8Å; Y86-N88 VanDerWaalsContact C-N 3.25Å; Y86-N88 PolarHBondContact O-N 2.94Å; Y86-N88 VanDerWaalsContact O-N 3.13Å; Y86-Y89 WeakPolarHBondContact O-CA 3.15Å; Y86-Y89 WeakPolarHBondContact O-CB 3.37Å; Y86-Y89 PolarHBondContact O-N 3.35Å; Y86-W90 VanDerWaalsContact O-CD1 3.23Å; Y86-W90 PolarHBondContact O-N 3.09Å |
| 87 | W | 81.1 | Confident | 82.3 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 25% | 0.25 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -47.8 | -41.9 | 177.6 | 173.8 | -116.4 | 0 | 0 | 0 | 114 | A83 P84 F85 Y89 W90 R91 F96 A99 V100 M103 | A83-W87 PolarHBondContact O-N 2.99Å; P84-W87 WeakPolarHBondContact O-CB 3.28Å; P84-W87 PolarHBondContact O-N 2.78Å; F85-W87 VanDerWaalsContact C-N 3.29Å; F85-W87 PolarHBondContact O-N 3.3Å; W87-Y89 VanDerWaalsContact C-N 3.32Å; W87-Y89 PolarHBondContact O-N 3.11Å; W87-W90 PolarHBondContact O-N 3.22Å; W87-R91 WeakPolarHBondContact O-CB 3.3Å; W87-R91 PolarHBondContact O-N 3.48Å; W87-F96 HydrophobicContact CH2-CD2 4.5Å; W87-F96 HydrophobicContact CH2-CE2 4.12Å; W87-F96 HydrophobicContact CZ2-CD2 4.42Å; W87-F96 AromaticContact CZ2-CE2 3.92Å; W87-F96 HydrophobicContact CZ2-CE2 3.92Å; W87-A99 HydrophobicContact CE3-CB 4.32Å; W87-A99 HydrophobicContact CH2-CB 4.16Å; W87-A99 HydrophobicContact CZ3-CB 3.73Å; W87-V100 HydrophobicContact CH2-CG2 3.88Å; W87-M103 HydrophobicContact CE3-CE 4.2Å; W87-M103 HydrophobicContact CE3-CG 3.59Å; W87-M103 HydrophobicContact CE3-SD 4.13Å; W87-M103 HydrophobicContact CZ3-CG 3.5Å |
| 88 | N | 82.3 | Confident | 82.2 | Confident | 118 Ų | 118 | 72.3 Ų | 72.3 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.4 | -32.1 | 178.5 | -76.1 | -36.5 | 0 | 0 | 0 | 113.4 | Y86 S92 | Y86-N88 VanDerWaalsContact C-N 3.25Å; Y86-N88 PolarHBondContact O-N 2.94Å; Y86-N88 VanDerWaalsContact O-N 3.13Å; N88-S92 WeakPolarHBondContact O-CB 3.34Å; N88-S92 PolarHBondContact O-N 3.1Å; N88-S92 PolarHBondContact O-OG 3.38Å |
| 89 | Y | 82.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.5 | -46 | 170.8 | 163.2 | -94.1 | 0 | 0 | 0 | 110.9 | R79 Y86 W87 R91 S92 H93 H145 T149 | R79-Y89 HydrophobicContact CG-CD1 4.31Å; R79-Y89 HydrophobicContact CG-CE1 4.49Å; R79-Y89 VanDerWaalsContact NH1-CE2 3.27Å; Y86-Y89 WeakPolarHBondContact O-CA 3.15Å; Y86-Y89 WeakPolarHBondContact O-CB 3.37Å; Y86-Y89 PolarHBondContact O-N 3.35Å; W87-Y89 VanDerWaalsContact C-N 3.32Å; W87-Y89 PolarHBondContact O-N 3.11Å; Y89-R91 PolarHBondContact O-N 3.37Å; Y89-S92 PolarHBondContact O-N 3.48Å; Y89-S92 PolarHBondContact O-OG 3.49Å; Y89-H93 AromaticContact CD2-CD2 3.3Å; Y89-H93 WeakPolarHBondContact CD2-CD2 3.42Å; Y89-H93 AromaticContact CD2-NE2 3.81Å; Y89-H93 HydrophobicContact CE2-CB 4.27Å; Y89-H93 AromaticContact CE2-CD2 3.33Å; Y89-H93 WeakPolarHBondContact CE2-CD2 3.08Å; Y89-H93 AromaticContact CE2-CG 3.74Å; Y89-H93 AromaticContact CE2-NE2 3.75Å; Y89-H93 WeakPolarHBondContact O-CB 3.38Å; Y89-H93 PolarHBondContact O-N 2.99Å; Y89-H145 AromaticContact CE1-ND1 3.92Å; Y89-H145 AromaticContact CZ-CE1 3.88Å; Y89-H145 AromaticContact CZ-ND1 3.82Å; Y89-H145 PolarHBondContact OH-CE1 3Å; Y89-H145 PolarHBondContact OH-ND1 3.12Å; Y89-T149 PolarHBondContact OH-OG1 3.28Å |
| 90 | W | 82.5 | Confident | 82.3 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 5% | 0.045 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 179 | -67.6 | 114.7 | 0 | 0 | 0 | 112.2 | R79 Y86 W87 S92 T94 A99 I102 M103 H145 | R79-W90 HydrophobicContact CB-CZ2 4.3Å; R79-W90 WeakPolarHBondContact O-CZ2 3.25Å; R79-W90 PolarHBondContact O-NE1 3.3Å; Y86-W90 VanDerWaalsContact O-CD1 3.23Å; Y86-W90 PolarHBondContact O-N 3.09Å; W87-W90 PolarHBondContact O-N 3.22Å; W90-S92 VanDerWaalsContact C-N 3.35Å; W90-S92 PolarHBondContact O-N 3.48Å; W90-T94 HydrophobicContact CE3-CG2 3.85Å; W90-T94 HydrophobicContact CZ3-CG2 4.39Å; W90-T94 WeakPolarHBondContact O-CB 3.41Å; W90-T94 PolarHBondContact O-N 2.87Å; W90-T94 PolarHBondContact O-OG1 2.91Å; W90-A99 HydrophobicContact CB-CB 4.32Å; W90-I102 HydrophobicContact CD2-CG2 4.45Å; W90-I102 HydrophobicContact CE3-CD1 3.76Å; W90-I102 HydrophobicContact CZ3-CD1 3.92Å; W90-M103 HydrophobicContact CB-CE 4.25Å; W90-M103 HydrophobicContact CG-CE 3.96Å; W90-H145 AromaticContact CE3-CE1 3.93Å; W90-H145 HydrophobicContact CH2-CB 4.48Å; W90-H145 AromaticContact CH2-ND1 3.78Å; W90-H145 HydrophobicContact CZ3-CB 4.41Å; W90-H145 AromaticContact CZ3-CE1 3.54Å; W90-H145 AromaticContact CZ3-CG 3.78Å; W90-H145 AromaticContact CZ3-ND1 3.26Å; W90-H145 VanDerWaalsContact CZ3-ND1 3.26Å; W90-H145 WeakPolarHBondContact CZ3-ND1 3.13Å |
| 91 | R | 84 | Confident | 82.4 | Confident | 129 Ų | 129 | 73 Ų | 73 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -35 | 175.3 | 179.5 | -177.9 | -94.1 | -171.8 | -9.5 | 113 | W87 Y89 | W87-R91 WeakPolarHBondContact O-CB 3.3Å; W87-R91 PolarHBondContact O-N 3.48Å; Y89-R91 PolarHBondContact O-N 3.37Å |
| 92 | S | 80 | Confident | 82.6 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 54% | 0.538 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -85.4 | -35.7 | -179.6 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | N88 Y89 W90 | N88-S92 WeakPolarHBondContact O-CB 3.34Å; N88-S92 PolarHBondContact O-N 3.1Å; N88-S92 PolarHBondContact O-OG 3.38Å; Y89-S92 PolarHBondContact O-N 3.48Å; Y89-S92 PolarHBondContact O-OG 3.49Å; W90-S92 VanDerWaalsContact C-N 3.35Å; W90-S92 PolarHBondContact O-N 3.48Å |
| 93 | H | 73.8 | Confident | 82.8 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -93.3 | -20.5 | -178.9 | -74.9 | -89.3 | 0 | 0 | 0 | 115 | K14 Y18 Y89 T149 | K14-H93 PolarHBondContact NZ-O 3.08Å; Y18-H93 PolarHBondContact OH-O 3.36Å; Y89-H93 AromaticContact CD2-CD2 3.3Å; Y89-H93 WeakPolarHBondContact CD2-CD2 3.42Å; Y89-H93 AromaticContact CD2-NE2 3.81Å; Y89-H93 HydrophobicContact CE2-CB 4.27Å; Y89-H93 AromaticContact CE2-CD2 3.33Å; Y89-H93 WeakPolarHBondContact CE2-CD2 3.08Å; Y89-H93 AromaticContact CE2-CG 3.74Å; Y89-H93 AromaticContact CE2-NE2 3.75Å; Y89-H93 WeakPolarHBondContact O-CB 3.38Å; Y89-H93 PolarHBondContact O-N 2.99Å; H93-T149 HydrophobicContact CB-CG2 4Å; H93-T149 WeakPolarHBondContact ND1-CG2 3.18Å |
| 94 | T | 79 | Confident | 83 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 10% | 0.104 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -101.4 | -143.8 | 175.4 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | K14 W90 V98 A99 I102 | K14-T94 VanDerWaalsContact NZ-C 3.27Å; K14-T94 PolarHBondContact NZ-O 2.65Å; W90-T94 HydrophobicContact CE3-CG2 3.85Å; W90-T94 HydrophobicContact CZ3-CG2 4.39Å; W90-T94 WeakPolarHBondContact O-CB 3.41Å; W90-T94 PolarHBondContact O-N 2.87Å; W90-T94 PolarHBondContact O-OG1 2.91Å; T94-V98 HydrophobicContact CG2-CG1 4.19Å; T94-A99 PolarHBondContact OG1-N 3.29Å; T94-I102 HydrophobicContact CG2-CD1 3.99Å |
| 95 | S | 81.7 | Confident | 83.2 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 42% | 0.42 | 34% | 0.337 | S | S | . | . | trans | -123 | 156.2 | 163.2 | 72.4 | 0 | 0 | 0 | 0 | 107 | R97 V98 A99 | S95-R97 VanDerWaalsContact C-N 3.26Å; S95-R97 PolarHBondContact O-N 2.8Å; S95-R97 VanDerWaalsContact O-N 3.13Å; S95-V98 CarbonylContact O-C 3.59Å; S95-V98 WeakPolarHBondContact O-CA 3.26Å; S95-V98 PolarHBondContact O-N 2.89Å; S95-V98 WeakPolarHBondContact OG-CG2 3.4Å; S95-A99 PolarHBondContact O-N 3.42Å | ||
| 96 | F | 82.3 | Confident | 83.3 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -50.4 | -45.3 | -175.2 | 177.9 | -108.7 | 0 | 0 | 0 | 113.2 | W87 V98 A99 V100 | W87-F96 HydrophobicContact CH2-CD2 4.5Å; W87-F96 HydrophobicContact CH2-CE2 4.12Å; W87-F96 HydrophobicContact CZ2-CD2 4.42Å; W87-F96 AromaticContact CZ2-CE2 3.92Å; W87-F96 HydrophobicContact CZ2-CE2 3.92Å; F96-V98 VanDerWaalsContact C-N 3.33Å; F96-V98 PolarHBondContact O-N 2.97Å; F96-A99 PolarHBondContact O-N 3.44Å; F96-V100 HydrophobicContact CD2-CG2 4.47Å; F96-V100 HydrophobicContact CE1-CG2 4.11Å; F96-V100 HydrophobicContact CE2-CG2 4.04Å; F96-V100 HydrophobicContact CZ-CG2 3.84Å; F96-V100 WeakPolarHBondContact O-CG2 3.44Å; F96-V100 PolarHBondContact O-N 3.18Å |
| 97 | R | 83.1 | Confident | 83.5 | Confident | 211 Ų | 211 | 67.7 Ų | 67.7 | 80% | 0.796 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.8 | -34.9 | 176.1 | -63.2 | -174.5 | -178.9 | -170.6 | -0.4 | 113.6 | S95 Y101 | S95-R97 VanDerWaalsContact C-N 3.26Å; S95-R97 PolarHBondContact O-N 2.8Å; S95-R97 VanDerWaalsContact O-N 3.13Å; R97-Y101 WeakPolarHBondContact O-CB 3.43Å; R97-Y101 PolarHBondContact O-N 3.42Å |
| 98 | V | 83.2 | Confident | 83.8 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 39% | 0.394 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -76.5 | -35.5 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | T94 S95 F96 Y101 I102 | T94-V98 HydrophobicContact CG2-CG1 4.19Å; S95-V98 CarbonylContact O-C 3.59Å; S95-V98 WeakPolarHBondContact O-CA 3.26Å; S95-V98 PolarHBondContact O-N 2.89Å; S95-V98 WeakPolarHBondContact OG-CG2 3.4Å; F96-V98 VanDerWaalsContact C-N 3.33Å; F96-V98 PolarHBondContact O-N 2.97Å; V98-Y101 PolarHBondContact O-N 3.5Å; V98-I102 HydrophobicContact CG1-CD1 3.92Å; V98-I102 HydrophobicContact CG1-CG1 4.43Å; V98-I102 VanDerWaalsContact O-CG1 3.25Å; V98-I102 WeakPolarHBondContact O-CG1 3.21Å; V98-I102 PolarHBondContact O-N 3.27Å |
| 99 | A | 84.2 | Confident | 84 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -47 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W87 W90 T94 S95 F96 Y101 I102 M103 | W87-A99 HydrophobicContact CE3-CB 4.32Å; W87-A99 HydrophobicContact CH2-CB 4.16Å; W87-A99 HydrophobicContact CZ3-CB 3.73Å; W90-A99 HydrophobicContact CB-CB 4.32Å; T94-A99 PolarHBondContact OG1-N 3.29Å; S95-A99 PolarHBondContact O-N 3.42Å; F96-A99 PolarHBondContact O-N 3.44Å; A99-Y101 PolarHBondContact O-N 3.26Å; A99-I102 PolarHBondContact O-N 3.06Å; A99-M103 WeakPolarHBondContact O-CG 3.48Å; A99-M103 PolarHBondContact O-N 2.97Å |
| 100 | V | 86.3 | Confident | 84.2 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.345 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.9 | -48.8 | 173 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | W87 F96 I102 M103 V104 | W87-V100 HydrophobicContact CH2-CG2 3.88Å; F96-V100 HydrophobicContact CD2-CG2 4.47Å; F96-V100 HydrophobicContact CE1-CG2 4.11Å; F96-V100 HydrophobicContact CE2-CG2 4.04Å; F96-V100 HydrophobicContact CZ-CG2 3.84Å; F96-V100 WeakPolarHBondContact O-CG2 3.44Å; F96-V100 PolarHBondContact O-N 3.18Å; V100-I102 VanDerWaalsContact C-N 3.34Å; V100-I102 PolarHBondContact O-N 3.28Å; V100-M103 PolarHBondContact O-N 3.45Å; V100-M103 VanDerWaalsContact O-N 3.12Å; V100-V104 HydrophobicContact CG1-CG2 4.33Å; V100-V104 WeakPolarHBondContact O-CG2 3.2Å; V100-V104 PolarHBondContact O-N 2.92Å |
| 101 | Y | 86.6 | Confident | 84.4 | Confident | 93 Ų | 93 | 69.3 Ų | 69.3 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 177.5 | 175.4 | -94.4 | 0 | 0 | 0 | 113.2 | R97 V98 A99 V104 H105 N1337 | R97-Y101 WeakPolarHBondContact O-CB 3.43Å; R97-Y101 PolarHBondContact O-N 3.42Å; V98-Y101 PolarHBondContact O-N 3.5Å; A99-Y101 PolarHBondContact O-N 3.26Å; Y101-V104 PolarHBondContact O-N 2.93Å; Y101-H105 WeakPolarHBondContact O-CB 3.4Å; Y101-H105 PolarHBondContact O-N 3.46Å; Y101-N1337 VanDerWaalsContact OH-CB 3.32Å; Y101-N1337 WeakPolarHBondContact OH-CB 3.35Å; Y101-N1337 VanDerWaalsContact OH-CG 3.31Å; Y101-N1337 PolarHBondContact OH-OD1 3.48Å |
| 102 | I | 86.4 | Confident | 84.5 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 22% | 0.221 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 175.4 | -68.5 | 165 | 0 | 0 | 0 | 111 | W90 T94 V98 A99 V100 H105 F106 | W90-I102 HydrophobicContact CD2-CG2 4.45Å; W90-I102 HydrophobicContact CE3-CD1 3.76Å; W90-I102 HydrophobicContact CZ3-CD1 3.92Å; T94-I102 HydrophobicContact CG2-CD1 3.99Å; V98-I102 HydrophobicContact CG1-CD1 3.92Å; V98-I102 HydrophobicContact CG1-CG1 4.43Å; V98-I102 VanDerWaalsContact O-CG1 3.25Å; V98-I102 WeakPolarHBondContact O-CG1 3.21Å; V98-I102 PolarHBondContact O-N 3.27Å; A99-I102 PolarHBondContact O-N 3.06Å; V100-I102 VanDerWaalsContact C-N 3.34Å; V100-I102 PolarHBondContact O-N 3.28Å; I102-H105 PolarHBondContact O-N 3.14Å; I102-F106 WeakPolarHBondContact O-CB 3.32Å; I102-F106 PolarHBondContact O-N 2.85Å |
| 103 | M | 87.4 | Confident | 84.7 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 173.6 | -61.8 | -56.9 | 118.9 | 0 | 0 | 111.7 | A83 P84 W87 W90 A99 V100 H105 F106 F107 | A83-M103 HydrophobicContact CB-CE 4.02Å; A83-M103 HydrophobicContact CB-SD 4.49Å; A83-M103 WeakPolarHBondContact O-CE 3.05Å; P84-M103 HydrophobicContact CG-SD 4.43Å; W87-M103 HydrophobicContact CE3-CE 4.2Å; W87-M103 HydrophobicContact CE3-CG 3.59Å; W87-M103 HydrophobicContact CE3-SD 4.13Å; W87-M103 HydrophobicContact CZ3-CG 3.5Å; W90-M103 HydrophobicContact CB-CE 4.25Å; W90-M103 HydrophobicContact CG-CE 3.96Å; A99-M103 WeakPolarHBondContact O-CG 3.48Å; A99-M103 PolarHBondContact O-N 2.97Å; V100-M103 PolarHBondContact O-N 3.45Å; V100-M103 VanDerWaalsContact O-N 3.12Å; M103-H105 VanDerWaalsContact C-N 3.28Å; M103-H105 PolarHBondContact O-N 3.43Å; M103-F106 WeakPolarHBondContact O-CB 3.46Å; M103-F106 PolarHBondContact O-N 3.45Å; M103-F106 VanDerWaalsContact O-N 3.1Å; M103-F107 HydrophobicContact CB-CD2 4.31Å; M103-F107 HydrophobicContact CB-CE2 4.17Å; M103-F107 WeakPolarHBondContact O-CD2 3.39Å; M103-F107 PolarHBondContact O-N 3.23Å |
| 104 | V | 86.3 | Confident | 85.1 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 44% | 0.442 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 174.8 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V100 Y101 F107 L108 | V100-V104 HydrophobicContact CG1-CG2 4.33Å; V100-V104 WeakPolarHBondContact O-CG2 3.2Å; V100-V104 PolarHBondContact O-N 2.92Å; Y101-V104 PolarHBondContact O-N 2.93Å; V104-F107 PolarHBondContact O-N 2.99Å; V104-L108 HydrophobicContact CG1-CD1 4.01Å; V104-L108 HydrophobicContact CG1-CG 4.44Å; V104-L108 WeakPolarHBondContact O-CB 3.44Å; V104-L108 VanDerWaalsContact O-CG 3.28Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.47Å |
| 105 | H | 86.9 | Confident | 85.2 | Confident | 27 Ų | 27 | 64.1 Ų | 64.1 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.2 | -167.4 | -43.6 | 0 | 0 | 0 | 112.4 | Y101 I102 M103 Q109 L1334 V1338 | Y101-H105 WeakPolarHBondContact O-CB 3.4Å; Y101-H105 PolarHBondContact O-N 3.46Å; I102-H105 PolarHBondContact O-N 3.14Å; M103-H105 VanDerWaalsContact C-N 3.28Å; M103-H105 PolarHBondContact O-N 3.43Å; H105-Q109 WeakPolarHBondContact O-CB 3.42Å; H105-Q109 PolarHBondContact O-N 3.16Å; H105-L1334 VanDerWaalsContact CE1-CD2 3.42Å; H105-L1334 WeakPolarHBondContact CE1-CD2 3.46Å; H105-L1334 WeakPolarHBondContact ND1-CD2 3.4Å; H105-V1338 WeakPolarHBondContact NE2-CG2 3.35Å |
| 106 | F | 87.2 | Confident | 85.2 | Confident | 55 Ų | 55 | 64 Ų | 64 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.8 | -179 | -89.2 | 0 | 0 | 0 | 111.4 | V80 A81 A83 P84 I102 M103 Q109 F110 | V80-F106 WeakPolarHBondContact O-CE2 3.31Å; A81-F106 WeakPolarHBondContact O-CE2 3.44Å; A83-F106 HydrophobicContact CB-CB 4.47Å; A83-F106 HydrophobicContact CB-CD2 3.71Å; A83-F106 HydrophobicContact CB-CE2 4.11Å; A83-F106 HydrophobicContact CB-CG 4.09Å; P84-F106 HydrophobicContact CG-CD1 3.75Å; P84-F106 HydrophobicContact CG-CE1 3.56Å; P84-F106 HydrophobicContact CG-CZ 4.28Å; I102-F106 WeakPolarHBondContact O-CB 3.32Å; I102-F106 PolarHBondContact O-N 2.85Å; M103-F106 WeakPolarHBondContact O-CB 3.46Å; M103-F106 PolarHBondContact O-N 3.45Å; M103-F106 VanDerWaalsContact O-N 3.1Å; F106-Q109 PolarHBondContact O-N 3.04Å; F106-F110 WeakPolarHBondContact O-CB 3.42Å; F106-F110 PolarHBondContact O-N 3.39Å |
| 107 | F | 87.7 | Confident | 85.1 | Confident | 119 Ų | 119 | 64.5 Ų | 64.5 | 52% | 0.522 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 175.8 | -72.7 | -59.4 | 0 | 0 | 0 | 112.3 | M103 V104 F110 L111 | M103-F107 HydrophobicContact CB-CD2 4.31Å; M103-F107 HydrophobicContact CB-CE2 4.17Å; M103-F107 WeakPolarHBondContact O-CD2 3.39Å; M103-F107 PolarHBondContact O-N 3.23Å; V104-F107 PolarHBondContact O-N 2.99Å; F107-F110 PolarHBondContact O-N 2.81Å; F107-L111 WeakPolarHBondContact O-CB 3.36Å; F107-L111 PolarHBondContact O-N 2.88Å |
| 108 | L | 86.9 | Confident | 85 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 172.2 | -75.2 | 170 | 0 | 0 | 0 | 111.9 | V104 L111 Q112 V1333 L1334 | V104-L108 HydrophobicContact CG1-CD1 4.01Å; V104-L108 HydrophobicContact CG1-CG 4.44Å; V104-L108 WeakPolarHBondContact O-CB 3.44Å; V104-L108 VanDerWaalsContact O-CG 3.28Å; V104-L108 WeakPolarHBondContact O-CG 3.36Å; V104-L108 PolarHBondContact O-N 3.47Å; L108-L111 PolarHBondContact O-N 3.46Å; L108-Q112 PolarHBondContact O-N 3.08Å; L108-V1333 HydrophobicContact CD1-CG1 4.45Å; L108-L1334 HydrophobicContact CB-CD2 3.8Å; L108-L1334 HydrophobicContact CB-CG 4.35Å |
| 109 | Q | 87 | Confident | 84.5 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 176.5 | -163.5 | 68.1 | 67.4 | 0 | 0 | 111.2 | H105 F106 Q112 V113 C135 L1334 | H105-Q109 WeakPolarHBondContact O-CB 3.42Å; H105-Q109 PolarHBondContact O-N 3.16Å; F106-Q109 PolarHBondContact O-N 3.04Å; Q109-Q112 WeakPolarHBondContact O-CB 3.42Å; Q109-Q112 PolarHBondContact O-N 3.02Å; Q109-V113 WeakPolarHBondContact O-CG2 3.32Å; Q109-V113 PolarHBondContact O-N 2.96Å; Q109-C135 PolarHBondContact NE2-SG 3.02Å; Q109-C135 VanDerWaalsContact NE2-SG 3.38Å; Q109-L1334 HydrophobicContact CB-CD2 4.31Å |
| 110 | F | 86.5 | Confident | 83.7 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 173.7 | 178.2 | -99.3 | 0 | 0 | 0 | 111.7 | F106 F107 Q112 V113 V114 | F106-F110 WeakPolarHBondContact O-CB 3.42Å; F106-F110 PolarHBondContact O-N 3.39Å; F107-F110 PolarHBondContact O-N 2.81Å; F110-Q112 VanDerWaalsContact C-N 3.3Å; F110-Q112 PolarHBondContact O-N 3.34Å; F110-V113 WeakPolarHBondContact O-CB 3.43Å; F110-V113 PolarHBondContact O-N 3.4Å; F110-V113 VanDerWaalsContact O-N 3.12Å; F110-V114 HydrophobicContact CD1-CG2 4.13Å; F110-V114 HydrophobicContact CE1-CG2 3.71Å; F110-V114 HydrophobicContact CE2-CG2 4.29Å; F110-V114 HydrophobicContact CZ-CG2 3.8Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3.29Å |
| 111 | L | 85.3 | Confident | 82.8 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 176 | -172.5 | 64.1 | 0 | 0 | 0 | 111.9 | F107 L108 V114 F115 I1330 | F107-L111 WeakPolarHBondContact O-CB 3.36Å; F107-L111 PolarHBondContact O-N 2.88Å; L108-L111 PolarHBondContact O-N 3.46Å; L111-V114 PolarHBondContact O-N 3.37Å; L111-F115 HydrophobicContact CD1-CD2 3.92Å; L111-F115 HydrophobicContact CD1-CE2 3.43Å; L111-F115 VanDerWaalsContact CD1-CE2 3.43Å; L111-F115 HydrophobicContact CD1-CZ 3.87Å; L111-F115 HydrophobicContact CD2-CE2 3.92Å; L111-F115 HydrophobicContact CG-CD2 3.75Å; L111-F115 HydrophobicContact CG-CE2 3.45Å; L111-F115 VanDerWaalsContact CG-CE2 3.45Å; L111-F115 HydrophobicContact CG-CZ 4.37Å; L111-F115 VanDerWaalsContact O-CD2 3.29Å; L111-F115 WeakPolarHBondContact O-CD2 3.39Å; L111-F115 PolarHBondContact O-N 3.17Å; L111-I1330 HydrophobicContact CD2-CD1 4.29Å; L111-I1330 HydrophobicContact CG-CD1 4.33Å |
| 112 | Q | 86 | Confident | 81.4 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 170.9 | -160.6 | -166.3 | 4.7 | 0 | 0 | 111.6 | L108 Q109 F110 F116 D130 L131 V1327 I1330 L1334 | L108-Q112 PolarHBondContact O-N 3.08Å; Q109-Q112 WeakPolarHBondContact O-CB 3.42Å; Q109-Q112 PolarHBondContact O-N 3.02Å; F110-Q112 VanDerWaalsContact C-N 3.3Å; F110-Q112 PolarHBondContact O-N 3.34Å; Q112-F116 VanDerWaalsContact O-CB 3.25Å; Q112-F116 WeakPolarHBondContact O-CB 3.43Å; Q112-F116 PolarHBondContact O-N 2.94Å; Q112-D130 PolarHBondContact NE2-O 3.19Å; Q112-L131 HydrophobicContact CB-CD1 4.19Å; Q112-L131 HydrophobicContact CG-CD1 4.09Å; Q112-V1327 HydrophobicContact CG-CG1 4.15Å; Q112-I1330 HydrophobicContact CB-CG2 3.84Å; Q112-I1330 HydrophobicContact CG-CG2 4.16Å; Q112-L1334 HydrophobicContact CB-CD1 3.9Å; Q112-L1334 HydrophobicContact CG-CD1 4.28Å |
| 113 | V | 84 | Confident | 80.1 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -48.9 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | Q109 F110 F116 L117 L131 | Q109-V113 WeakPolarHBondContact O-CG2 3.32Å; Q109-V113 PolarHBondContact O-N 2.96Å; F110-V113 WeakPolarHBondContact O-CB 3.43Å; F110-V113 PolarHBondContact O-N 3.4Å; F110-V113 VanDerWaalsContact O-N 3.12Å; V113-F116 PolarHBondContact O-N 3.18Å; V113-L117 HydrophobicContact CG1-CD1 3.86Å; V113-L117 HydrophobicContact CG1-CG 4.34Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 2.9Å; V113-L131 HydrophobicContact CB-CD2 4.48Å; V113-L131 HydrophobicContact CG2-CD1 3.71Å; V113-L131 HydrophobicContact CG2-CD2 4.1Å; V113-L131 HydrophobicContact CG2-CG 4.43Å |
| 114 | V | 83.5 | Confident | 78.8 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 29% | 0.285 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -47.3 | -177.7 | 171 | 0 | 0 | 0 | 0 | 111.3 | F110 L111 F116 L117 L118 | F110-V114 HydrophobicContact CD1-CG2 4.13Å; F110-V114 HydrophobicContact CE1-CG2 3.71Å; F110-V114 HydrophobicContact CE2-CG2 4.29Å; F110-V114 HydrophobicContact CZ-CG2 3.8Å; F110-V114 WeakPolarHBondContact O-CG2 3.42Å; F110-V114 PolarHBondContact O-N 3.29Å; L111-V114 PolarHBondContact O-N 3.37Å; V114-F116 VanDerWaalsContact C-N 3.34Å; V114-F116 PolarHBondContact O-N 3.36Å; V114-L117 PolarHBondContact O-N 3.5Å; V114-L118 HydrophobicContact CG1-CD1 3.8Å; V114-L118 HydrophobicContact CG1-CG 4.4Å; V114-L118 WeakPolarHBondContact O-CB 3.42Å; V114-L118 VanDerWaalsContact O-CG 3.3Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 3.13Å |
| 115 | F | 81.2 | Confident | 77.5 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 176.2 | -73.6 | -50.4 | 0 | 0 | 0 | 112.7 | L111 L117 L118 T119 L1326 V1327 I1330 | L111-F115 HydrophobicContact CD1-CD2 3.92Å; L111-F115 HydrophobicContact CD1-CE2 3.43Å; L111-F115 VanDerWaalsContact CD1-CE2 3.43Å; L111-F115 HydrophobicContact CD1-CZ 3.87Å; L111-F115 HydrophobicContact CD2-CE2 3.92Å; L111-F115 HydrophobicContact CG-CD2 3.75Å; L111-F115 HydrophobicContact CG-CE2 3.45Å; L111-F115 VanDerWaalsContact CG-CE2 3.45Å; L111-F115 HydrophobicContact CG-CZ 4.37Å; L111-F115 VanDerWaalsContact O-CD2 3.29Å; L111-F115 WeakPolarHBondContact O-CD2 3.39Å; L111-F115 PolarHBondContact O-N 3.17Å; F115-L117 VanDerWaalsContact C-N 3.35Å; F115-L117 PolarHBondContact O-N 3.41Å; F115-L118 PolarHBondContact O-N 3.46Å; F115-T119 WeakPolarHBondContact O-CB 3.47Å; F115-T119 PolarHBondContact O-N 2.91Å; F115-T119 PolarHBondContact O-OG1 3.48Å; F115-L1326 HydrophobicContact CD1-CD2 4.37Å; F115-L1326 HydrophobicContact CD2-CD2 4.03Å; F115-L1326 HydrophobicContact CD2-CG 4.24Å; F115-L1326 HydrophobicContact CE1-CD2 4.01Å; F115-L1326 HydrophobicContact CE2-CD2 3.61Å; F115-L1326 HydrophobicContact CE2-CG 4.14Å; F115-L1326 HydrophobicContact CG-CD2 4.39Å; F115-L1326 HydrophobicContact CZ-CD2 3.62Å; F115-V1327 HydrophobicContact CB-CG2 3.61Å; F115-I1330 HydrophobicContact CD2-CD1 3.57Å; F115-I1330 HydrophobicContact CE2-CD1 3.76Å |
| 116 | F | 80.6 | Confident | 76.3 | Confident | 59 Ų | 59 | 71.7 Ų | 71.7 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.5 | 179.9 | -99.5 | 0 | 0 | 0 | 112 | Q112 V113 V114 T119 Q128 L131 V1327 | Q112-F116 VanDerWaalsContact O-CB 3.25Å; Q112-F116 WeakPolarHBondContact O-CB 3.43Å; Q112-F116 PolarHBondContact O-N 2.94Å; V113-F116 PolarHBondContact O-N 3.18Å; V114-F116 VanDerWaalsContact C-N 3.34Å; V114-F116 PolarHBondContact O-N 3.36Å; F116-T119 PolarHBondContact O-N 2.93Å; F116-Q128 HydrophobicContact CZ-CB 4.16Å; F116-Q128 HydrophobicContact CZ-CG 4.45Å; F116-L131 HydrophobicContact CB-CD2 4.24Å; F116-L131 HydrophobicContact CD1-CD2 3.85Å; F116-L131 HydrophobicContact CE1-CD2 4.48Å; F116-L131 HydrophobicContact CG-CD2 4.1Å; F116-V1327 HydrophobicContact CB-CG1 4.38Å |
| 117 | L | 81.3 | Confident | 75.3 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.7 | -25.2 | 175.6 | -68.4 | 172.8 | 0 | 0 | 0 | 113.9 | V113 V114 F115 | V113-L117 HydrophobicContact CG1-CD1 3.86Å; V113-L117 HydrophobicContact CG1-CG 4.34Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 2.9Å; V114-L117 PolarHBondContact O-N 3.5Å; F115-L117 VanDerWaalsContact C-N 3.35Å; F115-L117 PolarHBondContact O-N 3.41Å |
| 118 | L | 79.7 | Confident | 74.6 | Confident | 112 Ų | 112 | 71.8 Ų | 71.8 | 59% | 0.586 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -88.1 | -8.7 | 176.3 | -70.4 | 173.1 | 0 | 0 | 0 | 113.9 | V114 F115 | V114-L118 HydrophobicContact CG1-CD1 3.8Å; V114-L118 HydrophobicContact CG1-CG 4.4Å; V114-L118 WeakPolarHBondContact O-CB 3.42Å; V114-L118 VanDerWaalsContact O-CG 3.3Å; V114-L118 WeakPolarHBondContact O-CG 3.47Å; V114-L118 PolarHBondContact O-N 3.13Å; F115-L118 PolarHBondContact O-N 3.46Å |
| 119 | T | 73.9 | Confident | 73.9 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 8% | 0.08 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -91.7 | 131.2 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | F115 F116 S124 Q1323 | F115-T119 WeakPolarHBondContact O-CB 3.47Å; F115-T119 PolarHBondContact O-N 2.91Å; F115-T119 PolarHBondContact O-OG1 3.48Å; F116-T119 PolarHBondContact O-N 2.93Å; T119-S124 VanDerWaalsContact CG2-OG 3.24Å; T119-S124 WeakPolarHBondContact CG2-OG 3.22Å; T119-Q1323 HydrophobicContact CG2-CB 4.1Å |
| 120 | D | 67.1 | Low | 73.3 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | trans | -64.9 | 124.7 | 175.9 | -173.4 | -26.8 | 0 | 0 | 0 | 110.6 | R122 T123 S124 | D120-R122 PolarHBondContact O-N 2.92Å; D120-R122 VanDerWaalsContact OD1-CB 3.3Å; D120-R122 WeakPolarHBondContact OD1-CB 3.35Å; D120-R122 PolarHBondContact OD1-N 3.24Å; D120-T123 PolarHBondContact O-N 3.15Å; D120-T123 PolarHBondContact O-OG1 3.4Å; D120-S124 PolarHBondContact O-N 3.07Å; D120-S124 PolarHBondContact O-OG 3.28Å | ||
| 121 | P | 67.1 | Low | 73 | Confident | 119 Ų | 119 | 65 Ų | 65 | 77% | 0.773 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.1 | 178.9 | 28.7 | -36.9 | 0 | 0 | 0 | 114.2 | ||
| 122 | R | 58.2 | Low | 72.9 | Confident | 228 Ų | 228 | 66 Ų | 66 | 86% | 0.86 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -22.6 | 178.3 | -64.5 | 176.5 | 170.7 | 155.5 | -2.7 | 114.1 | D120 | D120-R122 PolarHBondContact O-N 2.92Å; D120-R122 VanDerWaalsContact OD1-CB 3.3Å; D120-R122 WeakPolarHBondContact OD1-CB 3.35Å; D120-R122 PolarHBondContact OD1-N 3.24Å |
| 123 | T | 58.3 | Low | 72.6 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 56% | 0.558 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -12.2 | -174 | 61 | 0 | 0 | 0 | 0 | 113.6 | D120 | D120-T123 PolarHBondContact O-N 3.15Å; D120-T123 PolarHBondContact O-OG1 3.4Å |
| 124 | S | 60 | Low | 72.5 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 16% | 0.161 | 33% | 0.332 | C | S | . | . | trans | -113.2 | 134.1 | -169.4 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | T119 D120 S126 | T119-S124 VanDerWaalsContact CG2-OG 3.24Å; T119-S124 WeakPolarHBondContact CG2-OG 3.22Å; D120-S124 PolarHBondContact O-N 3.07Å; D120-S124 PolarHBondContact O-OG 3.28Å; S124-S126 PolarHBondContact O-N 2.8Å; S124-S126 VanDerWaalsContact O-N 3.1Å | ||
| 125 | N | 59.8 | Low | 72.5 | Confident | 61 Ų | 61 | 63.5 Ų | 63.5 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | trans | -74.6 | 13.5 | 171.7 | -70.5 | -51.1 | 0 | 0 | 0 | 113.5 | S127 H1202 I1209 | N125-S127 PolarHBondContact O-N 2.86Å; N125-H1202 PolarHBondContact O-CE1 3.21Å; N125-I1209 WeakPolarHBondContact OD1-CD1 3.45Å | ||
| 126 | S | 60.2 | Low | 72.7 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | trans | -80.7 | 105.9 | -174.7 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | S124 | S124-S126 PolarHBondContact O-N 2.8Å; S124-S126 VanDerWaalsContact O-N 3.1Å | ||
| 127 | S | 66.8 | Low | 72.9 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | trans | -74.5 | 146 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | N125 D129 D130 | N125-S127 PolarHBondContact O-N 2.86Å; S127-D129 PolarHBondContact O-N 3.49Å; S127-D129 VanDerWaalsContact O-N 3.1Å; S127-D129 VanDerWaalsContact OG-CB 3.3Å; S127-D129 WeakPolarHBondContact OG-CB 3.18Å; S127-D129 PolarHBondContact OG-N 3.3Å; S127-D129 PolarHBondContact OG-OD2 3.25Å; S127-D130 WeakPolarHBondContact O-CB 3.46Å; S127-D130 PolarHBondContact O-N 3.22Å | ||
| 128 | Q | 72.6 | Confident | 73.1 | Confident | 139 Ų | 139 | 57.1 Ų | 57.1 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.9 | 166.7 | -173.2 | -178.8 | 1.7 | 0 | 0 | 112.2 | F116 D130 L131 L132 | F116-Q128 HydrophobicContact CZ-CB 4.16Å; F116-Q128 HydrophobicContact CZ-CG 4.45Å; Q128-D130 VanDerWaalsContact C-N 3.25Å; Q128-D130 PolarHBondContact O-N 3.47Å; Q128-L131 PolarHBondContact O-N 2.91Å; Q128-L132 PolarHBondContact O-N 3.23Å; Q128-L132 VanDerWaalsContact O-N 3.17Å |
| 129 | D | 72 | Confident | 73.4 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -50 | -41.2 | 171.5 | -68.9 | -47.2 | 0 | 0 | 0 | 113 | S127 L131 H1440 T1442 | S127-D129 PolarHBondContact O-N 3.49Å; S127-D129 VanDerWaalsContact O-N 3.1Å; S127-D129 VanDerWaalsContact OG-CB 3.3Å; S127-D129 WeakPolarHBondContact OG-CB 3.18Å; S127-D129 PolarHBondContact OG-N 3.3Å; S127-D129 PolarHBondContact OG-OD2 3.25Å; D129-L131 PolarHBondContact O-N 3.44Å; D129-H1440 IonicContact OD2-ND1 2.91Å; D129-H1440 PolarHBondContact OD2-ND1 3.38Å; D129-T1442 WeakPolarHBondContact CB-OG1 3.4Å; D129-T1442 WeakPolarHBondContact OD1-CB 3.29Å; D129-T1442 PolarHBondContact OD1-OG1 2.88Å |
| 130 | D | 75 | Confident | 73.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68 | -21.8 | -174.3 | -74.2 | -60.1 | 0 | 0 | 0 | 113.7 | Q112 S127 Q128 P134 H1202 R1335 L1441 | Q112-D130 PolarHBondContact NE2-O 3.19Å; S127-D130 WeakPolarHBondContact O-CB 3.46Å; S127-D130 PolarHBondContact O-N 3.22Å; Q128-D130 VanDerWaalsContact C-N 3.25Å; Q128-D130 PolarHBondContact O-N 3.47Å; D130-P134 WeakPolarHBondContact O-CD 3.47Å; D130-P134 WeakPolarHBondContact O-CG 3.24Å; D130-H1202 IonicContact OD1-NE2 3.99Å; D130-H1202 IonicContact OD2-CD2 2.68Å; D130-H1202 IonicContact OD2-CE1 2.78Å; D130-H1202 PolarHBondContact OD2-CE1 3.42Å; D130-H1202 IonicContact OD2-NE2 2.87Å; D130-H1202 PolarHBondContact OD2-NE2 3.44Å; D130-R1335 IonicContact OD1-CZ 3.55Å; D130-R1335 IonicContact OD1-NH1 3.18Å; D130-R1335 PolarHBondContact OD1-NH1 3.4Å; D130-R1335 IonicContact OD1-NH2 3.4Å; D130-R1335 PolarHBondContact OD1-NH2 2.93Å; D130-L1441 VanDerWaalsContact OD1-CD2 3.25Å; D130-L1441 WeakPolarHBondContact OD1-CD2 3.13Å |
| 131 | L | 80.9 | Confident | 74.9 | Confident | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.12 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -98.6 | -39.8 | 178.8 | 178.6 | 60.3 | 0 | 0 | 0 | 112.3 | Q112 V113 F116 Q128 D129 P134 C135 | Q112-L131 HydrophobicContact CB-CD1 4.19Å; Q112-L131 HydrophobicContact CG-CD1 4.09Å; V113-L131 HydrophobicContact CB-CD2 4.48Å; V113-L131 HydrophobicContact CG2-CD1 3.71Å; V113-L131 HydrophobicContact CG2-CD2 4.1Å; V113-L131 HydrophobicContact CG2-CG 4.43Å; F116-L131 HydrophobicContact CB-CD2 4.24Å; F116-L131 HydrophobicContact CD1-CD2 3.85Å; F116-L131 HydrophobicContact CE1-CD2 4.48Å; F116-L131 HydrophobicContact CG-CD2 4.1Å; Q128-L131 PolarHBondContact O-N 2.91Å; D129-L131 PolarHBondContact O-N 3.44Å; L131-P134 WeakPolarHBondContact O-CD 3.43Å; L131-C135 WeakPolarHBondContact O-CB 3.21Å; L131-C135 PolarHBondContact O-N 3.31Å; L131-C135 PolarHBondContact O-SG 3.02Å; L131-C135 VanDerWaalsContact O-SG 3.36Å |
| 132 | L | 82.1 | Confident | 75.6 | Confident | 90 Ų | 90 | 48.7 Ų | 48.7 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.8 | -44.7 | -172 | -177.6 | 61 | 0 | 0 | 0 | 112.5 | Q128 C135 L136 | Q128-L132 PolarHBondContact O-N 3.23Å; Q128-L132 VanDerWaalsContact O-N 3.17Å; L132-C135 WeakPolarHBondContact O-CB 3.5Å; L132-C135 PolarHBondContact O-N 3.24Å; L132-L136 HydrophobicContact CD1-CD1 4.01Å; L132-L136 HydrophobicContact CD1-CG 4.06Å; L132-L136 HydrophobicContact CD2-CD1 4.48Å; L132-L136 HydrophobicContact CG-CD1 3.86Å; L132-L136 HydrophobicContact CG-CG 4.32Å; L132-L136 WeakPolarHBondContact O-CG 3.34Å; L132-L136 PolarHBondContact O-N 3.49Å |
| 133 | L | 80.2 | Confident | 76.9 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.4 | -49.5 | -175.4 | -173.8 | 62.5 | 0 | 0 | 0 | 114.5 | C135 L136 L137 D1445 | L133-C135 VanDerWaalsContact C-N 3.31Å; L133-C135 PolarHBondContact O-N 2.85Å; L133-L136 PolarHBondContact O-N 3.35Å; L133-L137 HydrophobicContact CD1-CD1 3.97Å; L133-L137 HydrophobicContact CD1-CG 4.19Å; L133-L137 HydrophobicContact CG-CD1 3.97Å; L133-L137 WeakPolarHBondContact O-CG 3.46Å; L133-L137 PolarHBondContact O-N 2.78Å; L133-L137 VanDerWaalsContact O-N 3.08Å; L133-D1445 HydrophobicContact CD2-CB 3.34Å |
| 134 | P | 81.8 | Confident | 78.2 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 176.4 | 24.1 | -33.1 | 0 | 0 | 0 | 112.1 | D130 L131 L137 A138 L1334 V1338 | D130-P134 WeakPolarHBondContact O-CD 3.47Å; D130-P134 WeakPolarHBondContact O-CG 3.24Å; L131-P134 WeakPolarHBondContact O-CD 3.43Å; P134-L137 PolarHBondContact O-N 3.4Å; P134-A138 VanDerWaalsContact O-CB 3.28Å; P134-A138 WeakPolarHBondContact O-CB 3.48Å; P134-A138 PolarHBondContact O-N 3.19Å; P134-L1334 HydrophobicContact CB-CB 4.32Å; P134-V1338 HydrophobicContact CB-CG2 4.43Å |
| 135 | C | 83.3 | Confident | 79.4 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.1 | -52.6 | 172.7 | -79.8 | 0 | 0 | 0 | 0 | 112.7 | Q109 L131 L132 L133 L137 A138 I139 | Q109-C135 PolarHBondContact NE2-SG 3.02Å; Q109-C135 VanDerWaalsContact NE2-SG 3.38Å; L131-C135 WeakPolarHBondContact O-CB 3.21Å; L131-C135 PolarHBondContact O-N 3.31Å; L131-C135 PolarHBondContact O-SG 3.02Å; L131-C135 VanDerWaalsContact O-SG 3.36Å; L132-C135 WeakPolarHBondContact O-CB 3.5Å; L132-C135 PolarHBondContact O-N 3.24Å; L133-C135 VanDerWaalsContact C-N 3.31Å; L133-C135 PolarHBondContact O-N 2.85Å; C135-L137 VanDerWaalsContact C-N 3.34Å; C135-L137 PolarHBondContact O-N 3Å; C135-A138 PolarHBondContact O-N 3.25Å; C135-I139 WeakPolarHBondContact O-CG1 3.28Å; C135-I139 PolarHBondContact O-N 3.13Å |
| 136 | L | 85.5 | Confident | 80.4 | Confident | 83 Ų | 83 | 33.6 Ų | 33.6 | 44% | 0.435 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 179.4 | -73.1 | 173.7 | 0 | 0 | 0 | 111.9 | L132 L133 I139 C140 | L132-L136 HydrophobicContact CD1-CD1 4.01Å; L132-L136 HydrophobicContact CD1-CG 4.06Å; L132-L136 HydrophobicContact CD2-CD1 4.48Å; L132-L136 HydrophobicContact CG-CD1 3.86Å; L132-L136 HydrophobicContact CG-CG 4.32Å; L132-L136 WeakPolarHBondContact O-CG 3.34Å; L132-L136 PolarHBondContact O-N 3.49Å; L133-L136 PolarHBondContact O-N 3.35Å; L136-I139 PolarHBondContact O-N 2.91Å; L136-C140 PolarHBondContact O-N 2.84Å; L136-C140 PolarHBondContact O-SG 2.85Å; L136-C140 VanDerWaalsContact O-SG 3.35Å |
| 137 | L | 85 | Confident | 81.5 | Confident | 7 Ų | 7 | 34.1 Ų | 34.1 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 179.6 | -67.8 | 172.3 | 0 | 0 | 0 | 112.6 | L133 P134 C135 I139 C140 L141 V1338 Y1339 L1449 | L133-L137 HydrophobicContact CD1-CD1 3.97Å; L133-L137 HydrophobicContact CD1-CG 4.19Å; L133-L137 HydrophobicContact CG-CD1 3.97Å; L133-L137 WeakPolarHBondContact O-CG 3.46Å; L133-L137 PolarHBondContact O-N 2.78Å; L133-L137 VanDerWaalsContact O-N 3.08Å; P134-L137 PolarHBondContact O-N 3.4Å; C135-L137 VanDerWaalsContact C-N 3.34Å; C135-L137 PolarHBondContact O-N 3Å; L137-I139 VanDerWaalsContact C-N 3.35Å; L137-C140 PolarHBondContact O-N 3.1Å; L137-L141 WeakPolarHBondContact O-CB 3.29Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 2.93Å; L137-V1338 HydrophobicContact CB-CG1 3.43Å; L137-V1338 VanDerWaalsContact CB-CG1 3.43Å; L137-V1338 HydrophobicContact CD1-CG1 3.82Å; L137-V1338 HydrophobicContact CG-CG1 4.27Å; L137-Y1339 HydrophobicContact CD1-CD1 4.26Å; L137-Y1339 HydrophobicContact CD1-CE1 3.73Å; L137-L1449 HydrophobicContact CD1-CD2 3.71Å; L137-L1449 HydrophobicContact CD2-CD2 3.78Å; L137-L1449 HydrophobicContact CG-CD2 4.4Å |
| 138 | A | 84.5 | Confident | 82.1 | Confident | 24 Ų | 24 | 33.1 Ų | 33.1 | 20% | 0.198 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P134 C135 L141 G142 | P134-A138 VanDerWaalsContact O-CB 3.28Å; P134-A138 WeakPolarHBondContact O-CB 3.48Å; P134-A138 PolarHBondContact O-N 3.19Å; C135-A138 PolarHBondContact O-N 3.25Å; A138-L141 PolarHBondContact O-N 3.06Å; A138-G142 PolarHBondContact O-N 2.9Å |
| 139 | I | 86.1 | Confident | 82.3 | Confident | 57 Ų | 57 | 26.7 Ų | 26.7 | 29% | 0.292 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.1 | -67.7 | 163.8 | 0 | 0 | 0 | 110.7 | L77 V80 C135 L136 L137 L141 G142 I143 | L77-I139 HydrophobicContact CD1-CG2 3.82Å; V80-I139 HydrophobicContact CG1-CG1 4.06Å; C135-I139 WeakPolarHBondContact O-CG1 3.28Å; C135-I139 PolarHBondContact O-N 3.13Å; L136-I139 PolarHBondContact O-N 2.91Å; L137-I139 VanDerWaalsContact C-N 3.35Å; I139-L141 VanDerWaalsContact C-N 3.35Å; I139-L141 PolarHBondContact O-N 3.12Å; I139-G142 PolarHBondContact O-N 3.31Å; I139-I143 HydrophobicContact CG2-CD1 3.76Å; I139-I143 WeakPolarHBondContact O-CG1 3.31Å; I139-I143 PolarHBondContact O-N 3.37Å |
| 140 | C | 86.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 26.4 Ų | 26.4 | 30% | 0.297 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.1 | -42.1 | 175.2 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | L136 L137 I143 L144 I1417 | L136-C140 PolarHBondContact O-N 2.84Å; L136-C140 PolarHBondContact O-SG 2.85Å; L136-C140 VanDerWaalsContact O-SG 3.35Å; L137-C140 PolarHBondContact O-N 3.1Å; C140-I143 PolarHBondContact O-N 3.26Å; C140-L144 WeakPolarHBondContact O-CB 3.46Å; C140-L144 PolarHBondContact O-N 3.26Å; C140-I1417 HydrophobicContact CB-CD1 4.19Å |
| 141 | L | 86.5 | Confident | 81.5 | Confident | 32 Ų | 32 | 28 Ų | 28 | 17% | 0.168 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 177.7 | -76.2 | 171.3 | 0 | 0 | 0 | 112.6 | L137 A138 I139 L144 H145 V1338 T1341 V1342 L1345 | L137-L141 WeakPolarHBondContact O-CB 3.29Å; L137-L141 VanDerWaalsContact O-CG 3.31Å; L137-L141 WeakPolarHBondContact O-CG 3.42Å; L137-L141 PolarHBondContact O-N 2.93Å; A138-L141 PolarHBondContact O-N 3.06Å; I139-L141 VanDerWaalsContact C-N 3.35Å; I139-L141 PolarHBondContact O-N 3.12Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.38Å; L141-H145 PolarHBondContact O-N 2.78Å; L141-V1338 HydrophobicContact CD1-CG1 4.29Å; L141-T1341 HydrophobicContact CD1-CG2 3.93Å; L141-T1341 HydrophobicContact CD2-CG2 3.96Å; L141-V1342 HydrophobicContact CD1-CG2 4.23Å; L141-V1342 HydrophobicContact CD2-CG2 4.01Å; L141-V1342 HydrophobicContact CG-CG2 4.34Å; L141-L1345 HydrophobicContact CD2-CD1 3.76Å |
| 142 | G | 83 | Confident | 80.4 | Confident | 7 Ų | 7 | 30.9 Ų | 30.9 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.2 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 I139 L144 H145 A146 | A138-G142 PolarHBondContact O-N 2.9Å; I139-G142 PolarHBondContact O-N 3.31Å; G142-L144 VanDerWaalsContact C-N 3.34Å; G142-H145 PolarHBondContact O-N 3.13Å; G142-A146 PolarHBondContact O-N 3.37Å |
| 143 | I | 85.6 | Confident | 78.9 | Confident | 31 Ų | 31 | 28.7 Ų | 28.7 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 170 | -70.6 | 167.7 | 0 | 0 | 0 | 110.2 | V73 I139 C140 H145 A146 H147 | V73-I143 HydrophobicContact CG1-CD1 4.45Å; V73-I143 HydrophobicContact CG2-CG2 4.47Å; I139-I143 HydrophobicContact CG2-CD1 3.76Å; I139-I143 WeakPolarHBondContact O-CG1 3.31Å; I139-I143 PolarHBondContact O-N 3.37Å; C140-I143 PolarHBondContact O-N 3.26Å; I143-H145 PolarHBondContact O-N 2.95Å; I143-A146 WeakPolarHBondContact O-CB 3.45Å; I143-A146 PolarHBondContact O-N 3.25Å; I143-A146 VanDerWaalsContact O-N 3.16Å; I143-H147 PolarHBondContact O-CD2 2.83Å; I143-H147 VanDerWaalsContact O-CD2 3.24Å; I143-H147 PolarHBondContact O-N 2.87Å |
| 144 | L | 85 | Confident | 77.1 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58 | -45.2 | 173.3 | 173.9 | 60.6 | 0 | 0 | 0 | 112.1 | C140 L141 G142 A146 H147 I148 L1345 I1410 I1413 | C140-L144 WeakPolarHBondContact O-CB 3.46Å; C140-L144 PolarHBondContact O-N 3.26Å; L141-L144 WeakPolarHBondContact O-CB 3.27Å; L141-L144 PolarHBondContact O-N 3.38Å; G142-L144 VanDerWaalsContact C-N 3.34Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.38Å; L144-H147 PolarHBondContact O-N 2.85Å; L144-I148 HydrophobicContact CD1-CD1 3.84Å; L144-I148 HydrophobicContact CD1-CG1 4.26Å; L144-I148 HydrophobicContact CG-CD1 3.99Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.02Å; L144-L1345 HydrophobicContact CD2-CD1 3.86Å; L144-I1410 HydrophobicContact CD1-CG1 3.94Å; L144-I1410 HydrophobicContact CD2-CG1 4.36Å; L144-I1413 HydrophobicContact CB-CD1 3.9Å; L144-I1413 HydrophobicContact CB-CG2 4.41Å; L144-I1413 HydrophobicContact CD1-CB 4.37Å; L144-I1413 HydrophobicContact CD1-CD1 3.7Å; L144-I1413 HydrophobicContact CG-CD1 4.39Å |
| 145 | H | 84.6 | Confident | 74.9 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 175.1 | -175.5 | -96.4 | 0 | 0 | 0 | 112.4 | Y89 W90 L141 G142 I143 I148 T149 | Y89-H145 AromaticContact CE1-ND1 3.92Å; Y89-H145 AromaticContact CZ-CE1 3.88Å; Y89-H145 AromaticContact CZ-ND1 3.82Å; Y89-H145 PolarHBondContact OH-CE1 3Å; Y89-H145 PolarHBondContact OH-ND1 3.12Å; W90-H145 AromaticContact CE3-CE1 3.93Å; W90-H145 HydrophobicContact CH2-CB 4.48Å; W90-H145 AromaticContact CH2-ND1 3.78Å; W90-H145 HydrophobicContact CZ3-CB 4.41Å; W90-H145 AromaticContact CZ3-CE1 3.54Å; W90-H145 AromaticContact CZ3-CG 3.78Å; W90-H145 AromaticContact CZ3-ND1 3.26Å; W90-H145 VanDerWaalsContact CZ3-ND1 3.26Å; W90-H145 WeakPolarHBondContact CZ3-ND1 3.13Å; L141-H145 PolarHBondContact O-N 2.78Å; G142-H145 PolarHBondContact O-N 3.13Å; I143-H145 PolarHBondContact O-N 2.95Å; H145-I148 PolarHBondContact O-N 3.39Å; H145-T149 WeakPolarHBondContact O-CB 3.25Å; H145-T149 WeakPolarHBondContact O-CG2 3.3Å; H145-T149 PolarHBondContact O-N 3.36Å; H145-T149 PolarHBondContact O-OG1 2.89Å |
| 146 | A | 81.2 | Confident | 72.3 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G76 G142 I143 L144 I148 T149 A150 | G76-A146 VanDerWaalsContact CA-CB 3.48Å; G142-A146 PolarHBondContact O-N 3.37Å; I143-A146 WeakPolarHBondContact O-CB 3.45Å; I143-A146 PolarHBondContact O-N 3.25Å; I143-A146 VanDerWaalsContact O-N 3.16Å; L144-A146 VanDerWaalsContact C-N 3.33Å; L144-A146 PolarHBondContact O-N 3.38Å; A146-I148 VanDerWaalsContact C-N 3.35Å; A146-I148 PolarHBondContact O-N 3.49Å; A146-T149 PolarHBondContact O-N 2.86Å; A146-T149 PolarHBondContact O-OG1 3.38Å; A146-A150 VanDerWaalsContact O-CB 3.31Å; A146-A150 WeakPolarHBondContact O-CB 3.11Å; A146-A150 PolarHBondContact O-N 2.9Å |
| 147 | H | 83.1 | Confident | 69.8 | Low | 25 Ų | 25 | 43.4 Ų | 43.4 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.7 | -34 | 176.2 | -80.5 | -76.7 | 0 | 0 | 0 | 113.8 | I143 L144 | I143-H147 PolarHBondContact O-CD2 2.83Å; I143-H147 VanDerWaalsContact O-CD2 3.24Å; I143-H147 PolarHBondContact O-N 2.87Å; L144-H147 PolarHBondContact O-N 2.85Å |
| 148 | I | 80.4 | Confident | 67.2 | Low | 15 Ų | 15 | 53.9 Ų | 53.9 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.8 | -36.8 | 174.6 | -68.8 | 167.9 | 0 | 0 | 0 | 111.5 | L15 L144 H145 A146 P151 I1410 | L15-I148 HydrophobicContact CD1-CG2 4.45Å; L144-I148 HydrophobicContact CD1-CD1 3.84Å; L144-I148 HydrophobicContact CD1-CG1 4.26Å; L144-I148 HydrophobicContact CG-CD1 3.99Å; L144-I148 WeakPolarHBondContact O-CG1 3.33Å; L144-I148 PolarHBondContact O-N 3.02Å; H145-I148 PolarHBondContact O-N 3.39Å; A146-I148 VanDerWaalsContact C-N 3.35Å; A146-I148 PolarHBondContact O-N 3.49Å; I148-P151 WeakPolarHBondContact O-CD 3.32Å; I148-I1410 HydrophobicContact CD1-CD1 4.4Å; I148-I1410 HydrophobicContact CD1-CG1 4.22Å |
| 149 | T | 75.9 | Confident | 64.6 | Low | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -91.1 | -16.8 | -176.4 | 53.7 | 0 | 0 | 0 | 0 | 115 | Y89 H93 H145 A146 H152 | Y89-T149 PolarHBondContact OH-OG1 3.28Å; H93-T149 HydrophobicContact CB-CG2 4Å; H93-T149 WeakPolarHBondContact ND1-CG2 3.18Å; H145-T149 WeakPolarHBondContact O-CB 3.25Å; H145-T149 WeakPolarHBondContact O-CG2 3.3Å; H145-T149 PolarHBondContact O-N 3.36Å; H145-T149 PolarHBondContact O-OG1 2.89Å; A146-T149 PolarHBondContact O-N 2.86Å; A146-T149 PolarHBondContact O-OG1 3.38Å; T149-H152 PolarHBondContact O-N 3.1Å |
| 150 | A | 67.8 | Low | 62 | Low | 17 Ų | 17 | 57.8 Ų | 57.8 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -52.9 | -30.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | T65 A146 H152 G153 | T65-A150 HydrophobicContact CG2-CB 3.43Å; T65-A150 VanDerWaalsContact CG2-CB 3.43Å; A146-A150 VanDerWaalsContact O-CB 3.31Å; A146-A150 WeakPolarHBondContact O-CB 3.11Å; A146-A150 PolarHBondContact O-N 2.9Å; A150-H152 PolarHBondContact O-N 2.81Å; A150-G153 PolarHBondContact O-N 3.44Å |
| 151 | P | 62.5 | Low | 59.3 | Low | 33 Ų | 33 | 63.6 Ų | 63.6 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -73.5 | 5.6 | 173.2 | 30.1 | -36 | 0 | 0 | 0 | 114.9 | I148 | I148-P151 WeakPolarHBondContact O-CD 3.32Š|
| 152 | H | 58 | Low | 56.9 | Low | 83 Ų | 83 | 69.4 Ų | 69.4 | 38% | 0.384 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -118 | 17.1 | 172.3 | -77.7 | 21.1 | 0 | 0 | 0 | 113.5 | Y18 T149 A150 K154 | Y18-H152 AromaticContact CD1-CD2 3.57Å; Y18-H152 AromaticContact CD1-NE2 3.74Å; Y18-H152 AromaticContact CE1-CD2 3.96Å; Y18-H152 PolarHBondContact O-CE1 2.81Å; T149-H152 PolarHBondContact O-N 3.1Å; A150-H152 PolarHBondContact O-N 2.81Å; H152-K154 PolarHBondContact O-N 3.13Å |
| 153 | G | 50.1 | Low | 54.4 | Low | 44 Ų | 44 | 76 Ų | 76 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | trans | -64 | 115.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A150 T155 | A150-G153 PolarHBondContact O-N 3.44Å; G153-T155 PolarHBondContact O-N 2.85Å; G153-T155 VanDerWaalsContact O-N 3.13Å | ||
| 154 | K | 43.1 | Very low | 51.7 | Low | 165 Ų | 165 | 81.8 Ų | 81.8 | 72% | 0.717 | 44% | 0.441 | S | S | * | . | trans | -62 | 110.3 | -178.8 | -70.2 | 178.5 | 176.8 | -179.4 | 0 | 111.4 | H152 G156 L157 | H152-K154 PolarHBondContact O-N 3.13Å; K154-G156 PolarHBondContact O-N 3.2Å; K154-G156 VanDerWaalsContact O-N 3.15Å; K154-L157 HydrophobicContact CB-CD1 4.32Å; K154-L157 HydrophobicContact CB-CG 4.35Å; K154-L157 HydrophobicContact CD-CD1 3.87Å; K154-L157 HydrophobicContact CD-CG 4.22Å | ||
| 155 | T | 34.9 | Very low | 49.1 | Very low | 149 Ų | 149 | 86.5 Ų | 86.5 | 91% | 0.914 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 108 | 157.2 | 45.3 | 0 | 0 | 0 | 0 | 108.6 | G153 | G153-T155 PolarHBondContact O-N 2.85Å; G153-T155 VanDerWaalsContact O-N 3.13Å |
| 156 | G | 30.1 | Very low | 46.4 | Very low | 34 Ų | 34 | 92.9 Ų | 92.9 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 145.5 | -16.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | K154 Y158 S159 S160 | K154-G156 PolarHBondContact O-N 3.2Å; K154-G156 VanDerWaalsContact O-N 3.15Å; G156-Y158 PolarHBondContact O-N 3.39Å; G156-S159 PolarHBondContact O-N 2.78Å; G156-S159 PolarHBondContact O-OG 3.39Å; G156-S160 PolarHBondContact O-OG 3.03Å |
| 157 | L | 31.3 | Very low | 44.1 | Very low | 86 Ų | 86 | 99.3 Ų | 99.3 | 45% | 0.45 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 29.6 | -176.4 | -72.2 | -179.7 | 0 | 0 | 0 | 115.4 | K154 F161 | K154-L157 HydrophobicContact CB-CD1 4.32Å; K154-L157 HydrophobicContact CB-CG 4.35Å; K154-L157 HydrophobicContact CD-CD1 3.87Å; K154-L157 HydrophobicContact CD-CG 4.22Å; L157-F161 HydrophobicContact CD2-CD2 3.91Å; L157-F161 HydrophobicContact CD2-CE2 3.83Å |
| 158 | Y | 31.1 | Very low | 41.5 | Very low | 226 Ų | 226 | 105.4 Ų | 105.4 | 89% | 0.886 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 4.7 | 162.1 | -105.1 | -85.2 | 0 | 0 | 0 | 112.7 | G156 | G156-Y158 PolarHBondContact O-N 3.39Š|
| 159 | S | 30.5 | Very low | 39.1 | Very low | 103 Ų | 103 | 113.7 Ų | 113.7 | 72% | 0.72 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -128.9 | 32.1 | 175.5 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | G156 | G156-S159 PolarHBondContact O-N 2.78Å; G156-S159 PolarHBondContact O-OG 3.39Å |
| 160 | S | 31 | Very low | 36.9 | Very low | 61 Ų | 61 | 119.2 Ų | 119.2 | 43% | 0.427 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -158.2 | 19.8 | -179.1 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | G156 | G156-S160 PolarHBondContact O-OG 3.03Š|
| 161 | F | 30.5 | Very low | 35.1 | Very low | 166 Ų | 166 | 126.1 Ų | 126.1 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -139.4 | 10.3 | -179.8 | -100.3 | -90.5 | 0 | 0 | 0 | 112.9 | L157 | L157-F161 HydrophobicContact CD2-CD2 3.91Å; L157-F161 HydrophobicContact CD2-CE2 3.83Å |
| 162 | I | 34.7 | Very low | 33.6 | Very low | 154 Ų | 154 | 132 Ų | 132 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -116 | 67.1 | 159.8 | -55.3 | 174 | 0 | 0 | 0 | 106.3 | ||
| 163 | D | 30.8 | Very low | 32.4 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | -145.3 | 70.7 | 167.6 | -85.7 | -50.4 | 0 | 0 | 0 | 105.3 | ||||
| 164 | N | 29.3 | Very low | 31.6 | Very low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -76.1 | 155.4 | 175.9 | -108 | -9.4 | 0 | 0 | 0 | 110.1 | ||||
| 165 | P | 29.6 | Very low | 30.9 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | trans | -75.5 | 168.4 | -175.4 | 32.9 | -36.6 | 0 | 0 | 0 | 112.9 | ||||
| 166 | M | 27.9 | Very low | 30.6 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 86% | 0.862 | 71% | 0.711 | S | S | * | * | trans | 73.1 | 142.4 | -172.1 | -50.5 | -177.4 | 174.1 | 0 | 0 | 112.8 | ||||
| 167 | T | 33.3 | Very low | 30.7 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | cis | -145.6 | 174.4 | 4.5 | -17 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 168 | N | 28.3 | Very low | 30.5 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -79 | 172.3 | 175.1 | -77.8 | -39 | 0 | 0 | 0 | 113.2 | ||||
| 169 | Q | 30.5 | Very low | 30.6 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | 94 | 150.9 | 160.9 | -56.3 | -179.5 | -15.7 | 0 | 0 | 118.4 | ||||
| 170 | S | 30.4 | Very low | 30.4 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 69 | 136 | 173.3 | -152.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 171 | F | 30.1 | Very low | 30.4 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -156.5 | 141 | -27.8 | -159.9 | -119.4 | 0 | 0 | 0 | 103.4 | ||||
| 172 | K | 29.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | 34.8 | 136.2 | 94.4 | -89.8 | -168.5 | 158.6 | -144.1 | 0 | 114.7 | |||||
| 173 | D | 33.2 | Very low | 29.8 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 49% | 0.487 | 77% | 0.765 | S | S | . | * | cis | -144 | 165 | 20.8 | -93.9 | -51 | 0 | 0 | 0 | 112.9 | ||||
| 174 | I | 32.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | trans | 33.5 | 134.7 | 130.8 | -49.9 | 163.6 | 0 | 0 | 0 | 118.2 | ||||
| 175 | G | 28.4 | Very low | 29.3 | Very low | 59 Ų | 59 | 134.7 Ų | 134.7 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | 161.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 176 | D | 28 | Very low | 29.1 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | trans | 58.2 | 156.6 | 170.4 | -53.8 | -32.2 | 0 | 0 | 0 | 117.7 | ||||
| 177 | H | 32.8 | Very low | 29.1 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | cis | -126.6 | 169.3 | 2.2 | -63.8 | -95.2 | 0 | 0 | 0 | 111.3 | ||||
| 178 | G | 28 | Very low | 28.9 | Very low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | -152.4 | 134.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 179 | L | 31.8 | Very low | 28.7 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -142.9 | 126.7 | 169.1 | -63.1 | 173.2 | 0 | 0 | 0 | 106.5 | ||||
| 180 | N | 26.5 | Very low | 28.6 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | cis | 82.2 | 88.7 | 19.5 | -162.6 | 38.2 | 0 | 0 | 0 | 116.6 | ||||
| 181 | S | 30.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -165.4 | 156.5 | 156.5 | 68.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | N | 27 | Very low | 28.4 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | cis | -160.8 | -174 | -35.3 | -109.1 | -24.4 | 0 | 0 | 0 | 109.8 | ||||
| 183 | C | 25.3 | Very low | 28.4 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 78% | 0.784 | 73% | 0.725 | S | S | * | * | trans | 83.9 | 93.3 | 174.7 | -150.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 184 | C | 26.4 | Very low | 28.1 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | 83.1 | 142 | 58.9 | -62.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 185 | Q | 24.9 | Very low | 27.9 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | cis | -160.8 | 177.2 | -0.3 | -131.3 | 165.1 | -34 | 0 | 0 | 113.2 | ||||
| 186 | Y | 25 | Very low | 27.8 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 71.2 | 93.6 | 155.7 | -96.4 | -88.8 | 0 | 0 | 0 | 121.5 | ||||
| 187 | N | 27.5 | Very low | 27.8 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 51% | 0.508 | 72% | 0.718 | S | S | . | * | 59.1 | 142.8 | 117.9 | -122.5 | 1 | 0 | 0 | 0 | 121.7 | D189 | N187-D189 PolarHBondContact ND2-OD2 3.05Å; N187-D189 PolarHBondContact OD1-N 3.34Å; N187-D189 PolarHBondContact OD1-OD2 3.28Å | |||
| 188 | P | 30.2 | Very low | 27.5 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | -135.4 | 139.3 | 76.8 | 37.6 | -24.8 | 0 | 0 | 0 | 116.6 | |||||
| 189 | D | 23.8 | Very low | 27.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | trans | -75.1 | -179.1 | 168.4 | -74.2 | -59 | 0 | 0 | 0 | 112.5 | N187 | N187-D189 PolarHBondContact ND2-OD2 3.05Å; N187-D189 PolarHBondContact OD1-N 3.34Å; N187-D189 PolarHBondContact OD1-OD2 3.28Å | ||
| 190 | N | 28.3 | Very low | 27.1 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | trans | 77.9 | 81.3 | 167.9 | -56.8 | -49.9 | 0 | 0 | 0 | 117.2 | ||||
| 191 | L | 26.1 | Very low | 27.1 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 92% | 0.921 | 71% | 0.707 | S | S | * | * | -124.3 | 101.2 | 117.8 | -159.9 | 75.8 | 0 | 0 | 0 | 112.3 | |||||
| 192 | V | 30.3 | Very low | 26.8 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | trans | -22.2 | 124 | 161.9 | 175.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 193 | N | 28.1 | Very low | 26.7 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | trans | 63.5 | 117.4 | 155.9 | -64.5 | -25.6 | 0 | 0 | 0 | 119.5 | ||||
| 194 | N | 26.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | 72 | 103.8 | 56.1 | -66.2 | -42.9 | 0 | 0 | 0 | 113.9 | |||||
| 195 | K | 30.6 | Very low | 26.6 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | -168.2 | 116.4 | 123.8 | -141.5 | 170.3 | -176.3 | -174.6 | 0 | 106.3 | N276 Y277 | K195-N276 PolarHBondContact NZ-ND2 3.03Å; K195-Y277 WeakPolarHBondContact CA-OH 3.04Å; K195-Y277 HydrophobicContact CB-CE1 3.95Å; K195-Y277 WeakPolarHBondContact CB-OH 3.46Å; K195-Y277 WeakPolarHBondContact CG-OH 3.38Å; K195-Y277 PolarHBondContact O-OH 3.23Å | |||
| 196 | F | 26.5 | Very low | 26.8 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 61% | 0.614 | 70% | 0.699 | S | S | * | * | 83.4 | 96.9 | 63.8 | -89.8 | -108.3 | 0 | 0 | 0 | 115.3 | Y277 | F196-Y277 VanDerWaalsContact C-OH 3.28Å; F196-Y277 PolarHBondContact N-OH 2.75Å; F196-Y277 PolarHBondContact O-OH 3.04Å | |||
| 197 | S | 26.2 | Very low | 26.8 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | 15.8 | 157.9 | 125.7 | 59.2 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 198 | D | 27.7 | Very low | 26.7 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 65% | 0.647 | 70% | 0.704 | S | S | * | * | 178 | 147.7 | 113.2 | -86.3 | -4.9 | 0 | 0 | 0 | 113.4 | |||||
| 199 | I | 27.4 | Very low | 26.7 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | trans | 45.7 | 98.6 | 137.6 | -55.6 | 167.8 | 0 | 0 | 0 | 115.2 | ||||
| 200 | Q | 24.8 | Very low | 26.9 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 90% | 0.897 | 71% | 0.712 | S | S | * | * | 50.9 | 85.3 | 55.1 | -165.5 | -178.1 | -1 | 0 | 0 | 114.2 | |||||
| 201 | S | 25 | Very low | 26.6 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -147.7 | 150.7 | 154.5 | 72.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 202 | A | 25.1 | Very low | 26.6 | Very low | 78 Ų | 78 | 136 Ų | 136 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | trans | 73 | 107.4 | 140.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 203 | I | 25.1 | Very low | 26.3 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 73% | 0.728 | 71% | 0.706 | S | S | * | * | 82.2 | 101.2 | 112.1 | -72.2 | 166.6 | 0 | 0 | 0 | 118.8 | |||||
| 204 | N | 24.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 65% | 0.647 | 72% | 0.717 | S | S | * | * | 91.3 | 141.9 | 121.5 | -79.7 | 6.3 | 0 | 0 | 0 | 123.7 | |||||
| 205 | R | 25.5 | Very low | 26.4 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | 73.5 | 116.3 | 154.7 | -64 | 166.6 | -166 | 170.9 | 4.5 | 115.2 | ||||
| 206 | H | 27.6 | Very low | 26.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | 105.9 | 144.4 | 76.6 | -79.8 | -38.5 | 0 | 0 | 0 | 108 | |||||
| 207 | D | 25.9 | Very low | 26.6 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | cis | -156.4 | 180 | -4.7 | -112.7 | -17.5 | 0 | 0 | 0 | 111.5 | ||||
| 208 | E | 25.7 | Very low | 26.9 | Very low | 155 Ų | 155 | 147 Ų | 147 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | 49.8 | 119.5 | 154.2 | -69.2 | 173.8 | 132.4 | 0 | 0 | 120.2 | ||||
| 209 | Y | 28.8 | Very low | 27.1 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 86% | 0.863 | 75% | 0.747 | S | S | * | * | -158.6 | 157.7 | 84.9 | -120.7 | -85.6 | 0 | 0 | 0 | 112.4 | |||||
| 210 | D | 27.8 | Very low | 27.3 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -104.6 | 178.4 | -156.6 | -139.5 | -32.4 | 0 | 0 | 0 | 115.8 | ||||
| 211 | N | 23 | Very low | 27.7 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | trans | -82.8 | 121.1 | 177.6 | -60.3 | -93.5 | 0 | 0 | 0 | 112.3 | ||||
| 212 | S | 25.3 | Very low | 27.8 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -169.7 | 113.1 | 150 | 8.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 213 | S | 24.6 | Very low | 28.1 | Very low | 101 Ų | 101 | 148 Ų | 148 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | 72 | 131.3 | 74 | 78.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 214 | W | 27.6 | Very low | 28.5 | Very low | 239 Ų | 239 | 148.5 Ų | 148.5 | 91% | 0.905 | 75% | 0.75 | S | S | * | * | trans | 161.1 | 134.8 | 138.1 | -96.5 | 74.7 | 0 | 0 | 0 | 110.6 | ||||
| 215 | F | 30.3 | Very low | 29 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | -96 | 167.9 | 174.2 | -79.9 | -95.4 | 0 | 0 | 0 | 110.6 | I217 | F215-I217 HydrophobicContact CB-CD1 4.21Å; F215-I217 HydrophobicContact CB-CG1 4.1Å | ||
| 216 | P | 31.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 148 Ų | 148 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | -129.2 | 156.8 | 94.9 | 7.1 | 15 | 0 | 0 | 0 | 112.7 | |||||
| 217 | I | 29.3 | Very low | 29.5 | Very low | 138 Ų | 138 | 150 Ų | 150 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | 112.1 | 113.9 | 14.4 | -72.7 | 163.3 | 0 | 0 | 0 | 113.3 | F215 | F215-I217 HydrophobicContact CB-CD1 4.21Å; F215-I217 HydrophobicContact CB-CG1 4.1Å | ||
| 218 | Q | 33.3 | Very low | 30.1 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 165.5 | 105.6 | 141.1 | -93.8 | 169.3 | -9.7 | 0 | 0 | 108.7 | ||||
| 219 | S | 31 | Very low | 30.5 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | 74.9 | 133.3 | 80 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 220 | T | 31.5 | Very low | 30.7 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | cis | -163.2 | -175.3 | 0.3 | 5.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 221 | I | 32.6 | Very low | 30.8 | Very low | 145 Ų | 145 | 141 Ų | 141 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | cis | -154.4 | 146.1 | 7.9 | -122.5 | 147 | 0 | 0 | 0 | 103.7 | ||||
| 222 | S | 27.2 | Very low | 31.3 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | 90.8 | 98.6 | 43.9 | 174.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 223 | E | 32.3 | Very low | 31.5 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 92% | 0.916 | 73% | 0.734 | S | S | * | * | trans | -156.5 | 178.3 | 143.3 | -122.4 | 171.8 | -143.5 | 0 | 0 | 112.3 | ||||
| 224 | H | 32.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | -144.2 | 175.7 | -126.8 | -133.3 | -102.6 | 0 | 0 | 0 | 118.2 | |||||
| 225 | H | 35.9 | Very low | 32.1 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | trans | 85.2 | 153.2 | 168.7 | -57.2 | -43 | 0 | 0 | 0 | 118.9 | ||||
| 226 | K | 33.2 | Very low | 32.4 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | cis | -163.1 | 130.9 | -20.5 | -107.1 | 170.8 | 177.1 | 169.8 | 0 | 107.6 | ||||
| 227 | F | 30.9 | Very low | 32.4 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | 66.5 | 155.8 | 93.7 | -88.8 | -118.6 | 0 | 0 | 0 | 116.8 | |||||
| 228 | P | 38.6 | Very low | 32.5 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 58% | 0.584 | 71% | 0.714 | S | S | * | * | cis | -155.4 | -162.3 | -31.3 | 42.4 | -20.8 | 0 | 0 | 0 | 117.9 | ||||
| 229 | T | 34.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | trans | 77.4 | 152.7 | 147.8 | 49.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 230 | N | 33.5 | Very low | 32.5 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | cis | -162.6 | 157.2 | 0.5 | -119.4 | -13.6 | 0 | 0 | 0 | 117.2 | ||||
| 231 | I | 29.3 | Very low | 32.7 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 55% | 0.549 | 71% | 0.714 | S | S | . | * | trans | 15 | 138.3 | 153.5 | -9.3 | 164.9 | 0 | 0 | 0 | 119.9 | ||||
| 232 | Y | 32.4 | Very low | 32.9 | Very low | 206 Ų | 206 | 134.1 Ų | 134.1 | 81% | 0.808 | 71% | 0.713 | S | S | * | * | -168.5 | -178.9 | 55.2 | -82.2 | -94 | 0 | 0 | 0 | 111.2 | |||||
| 233 | S | 29.8 | Very low | 33 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | cis | 180 | 171.8 | -42.6 | -79.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 234 | A | 34.3 | Very low | 33.5 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | 70.9 | 150.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 235 | N | 31.5 | Very low | 33.4 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 71% | 0.714 | S | S | * | * | cis | -161.1 | 155.7 | -8.8 | -118.1 | -11.9 | 0 | 0 | 0 | 114.4 | ||||
| 236 | H | 35.8 | Very low | 33.3 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | trans | 63.1 | 150.9 | 146.4 | -68.6 | -33.9 | 0 | 0 | 0 | 123.2 | ||||
| 237 | Q | 32.2 | Very low | 33.1 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | cis | -171.4 | 118.6 | -20.2 | -174.7 | 176.2 | 52.9 | 0 | 0 | 114.9 | ||||
| 238 | S | 30.5 | Very low | 33.4 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | trans | 65.5 | 172.7 | 150.7 | 81.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 239 | K | 32.2 | Very low | 32.9 | Very low | 170 Ų | 170 | 130 Ų | 130 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | cis | -161.9 | 143.2 | 19.5 | -139.9 | 157.6 | -168.4 | 172.2 | 0 | 112.8 | ||||
| 240 | N | 32.8 | Very low | 32.5 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | 56.5 | 141.4 | 156.8 | -55.5 | -3.4 | 0 | 0 | 0 | 120.4 | ||||
| 241 | A | 35.1 | Very low | 32.1 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | cis | 81.3 | 156 | 26 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 242 | P | 36.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | cis | -145.5 | 174.9 | 11.5 | 44.6 | -25.6 | 0 | 0 | 0 | 119.9 | ||||
| 243 | N | 30.6 | Very low | 31.6 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | trans | 77.4 | 151.9 | 140.9 | -85.5 | 14 | 0 | 0 | 0 | 127 | ||||
| 244 | P | 42.1 | Very low | 31.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | trans | -117.2 | -166.8 | -177.3 | 46.1 | -34.3 | 0 | 0 | 0 | 113.8 | ||||
| 245 | N | 31.3 | Very low | 31 | Very low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -168.2 | 141.1 | 140.3 | -104.8 | -31.6 | 0 | 0 | 0 | 117.5 | ||||
| 246 | K | 32.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | trans | 60.3 | 113.6 | 139.8 | -74.4 | -178.6 | 162.1 | -77 | 0 | 125.5 | ||||
| 247 | E | 29.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | 78.3 | 156.9 | 116.9 | -70.5 | 163.6 | -179.2 | 0 | 0 | 123 | |||||
| 248 | P | 36.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | -126 | -151.6 | -161.8 | 35.8 | -13.2 | 0 | 0 | 0 | 113.8 | ||||
| 249 | I | 27.8 | Very low | 30.1 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | 124.3 | 124.6 | 150.5 | -66.4 | 167.5 | 0 | 0 | 0 | 118 | ||||
| 250 | N | 26.3 | Very low | 30 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | 62.2 | 160.4 | 151.7 | -68.4 | -2.7 | 0 | 0 | 0 | 126 | ||||
| 251 | S | 25.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 72.9 | 115.3 | 162.9 | 1.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 252 | T | 24.8 | Very low | 29.4 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | 68.5 | 141.1 | 26.8 | -36.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 253 | S | 25.7 | Very low | 28.7 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | 76.6 | 145 | 175.6 | 86.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 254 | E | 26.2 | Very low | 28.4 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | cis | -167.5 | 170.3 | -13 | -123.6 | -175.9 | 122.8 | 0 | 0 | 112.2 | ||||
| 255 | Q | 26 | Very low | 27.5 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | 63.5 | 154.7 | 144.5 | -76 | 177 | 34.2 | 0 | 0 | 120.3 | ||||
| 256 | C | 23.6 | Very low | 27.2 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | cis | -157.6 | 175.5 | -23.5 | -161.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 257 | G | 30 | Very low | 26.8 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | trans | 121.4 | 82.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 258 | H | 31.4 | Very low | 26.5 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | 65 | 137.4 | 83.8 | -62.9 | -54.2 | 0 | 0 | 0 | 114.5 | |||||
| 259 | S | 26.3 | Very low | 26 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | cis | -176.6 | 166.6 | -18.3 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 260 | S | 29.2 | Very low | 25.8 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 129.5 | 173.9 | 63.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 261 | S | 27.5 | Very low | 25.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 90% | 0.895 | 76% | 0.758 | S | S | * | * | cis | 82.7 | 117.4 | 46 | -170.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 262 | G | 27.8 | Very low | 25.7 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 163.6 | 31.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 263 | R | 22.6 | Very low | 25.8 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | 55.1 | 141.1 | 151.6 | -153.7 | -173.7 | -74.3 | -173 | -4.2 | 121.2 | ||||
| 264 | F | 22.5 | Very low | 26 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 85.8 | 117.6 | 167 | -68.7 | -65.2 | 0 | 0 | 0 | 120.1 | C266 | F264-C266 PolarHBondContact O-N 3.34Š|
| 265 | E | 24.3 | Very low | 26 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | trans | 20.1 | 86.7 | 146.9 | -58.1 | -176.4 | 151.4 | 0 | 0 | 117.9 | ||||
| 266 | C | 24.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -118.4 | 129 | 179.9 | -159.6 | 0 | 0 | 0 | 0 | 113.3 | F264 | F264-C266 PolarHBondContact O-N 3.34Š| ||
| 267 | F | 23.9 | Very low | 26.4 | Very low | 193 Ų | 193 | 138.4 Ų | 138.4 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -96.4 | 175.2 | 173.2 | -125.2 | -93.5 | 0 | 0 | 0 | 110.3 | ||||
| 268 | K | 24.4 | Very low | 26.2 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 69.1 | 128.7 | 154.7 | -83.2 | -178.3 | 173.7 | 175.8 | 0 | 119.5 | ||||
| 269 | T | 24.8 | Very low | 26 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | 68.9 | 154.2 | 137.5 | 58.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 270 | S | 24.8 | Very low | 26.1 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | cis | -163.1 | 161.1 | -5.7 | -117.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 271 | Q | 25.4 | Very low | 26.3 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 65.7 | 167.7 | 154.1 | -65.2 | 160.1 | 20.2 | 0 | 0 | 114.8 | ||||
| 272 | L | 24.5 | Very low | 26.3 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | cis | -147 | 163.1 | 1.7 | -157.6 | 69.8 | 0 | 0 | 0 | 109.3 | ||||
| 273 | V | 27.4 | Very low | 26.1 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | 66 | 125.8 | 162.8 | -170 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 274 | D | 28.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | cis | -158.8 | 161.3 | -24.5 | -159.1 | 10.7 | 0 | 0 | 0 | 112.2 | ||||
| 275 | R | 27.8 | Very low | 26.5 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 73% | 0.725 | 74% | 0.739 | S | S | * | * | trans | 45.5 | 117.4 | 150.4 | -86.4 | 170 | -175.9 | 123.4 | -5.4 | 121.9 | ||||
| 276 | N | 28.9 | Very low | 26.6 | Very low | 105 Ų | 105 | 146 Ų | 146 | 56% | 0.561 | 73% | 0.733 | S | S | * | * | trans | 75.3 | 116.4 | 158.8 | -32.3 | -54.9 | 0 | 0 | 0 | 114 | K195 | K195-N276 PolarHBondContact NZ-ND2 3.03Š| ||
| 277 | Y | 27.6 | Very low | 26.6 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 57% | 0.565 | 73% | 0.731 | S | S | * | * | cis | -124.1 | 140.3 | 35.4 | -89.2 | -90.1 | 0 | 0 | 0 | 115.8 | K195 F196 | K195-Y277 WeakPolarHBondContact CA-OH 3.04Å; K195-Y277 HydrophobicContact CB-CE1 3.95Å; K195-Y277 WeakPolarHBondContact CB-OH 3.46Å; K195-Y277 WeakPolarHBondContact CG-OH 3.38Å; K195-Y277 PolarHBondContact O-OH 3.23Å; F196-Y277 VanDerWaalsContact C-OH 3.28Å; F196-Y277 PolarHBondContact N-OH 2.75Å; F196-Y277 PolarHBondContact O-OH 3.04Å | ||
| 278 | A | 27 | Very low | 26.7 | Very low | 88 Ų | 88 | 146.1 Ų | 146.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -146.6 | 150.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 279 | K | 27.4 | Very low | 26.8 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | 70.7 | 145 | -166.2 | -52.8 | 167 | -176 | 168.6 | 0 | 111.9 | ||||
| 280 | A | 28.1 | Very low | 26.9 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | cis | -110.6 | 103.1 | 13.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 281 | Q | 34.1 | Very low | 27.1 | Very low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 72% | 0.717 | S | S | * | * | trans | -71.6 | 119.9 | 136.2 | -77.1 | 178.6 | -35.6 | 0 | 0 | 107.7 | ||||
| 282 | R | 26.1 | Very low | 27.2 | Very low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | trans | 170.5 | 141.5 | 143.5 | -93.9 | 154.9 | -165 | -166.8 | 3.6 | 110.7 | ||||
| 283 | N | 24.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 58% | 0.578 | 70% | 0.697 | S | S | * | * | trans | 47.8 | 77 | 148.7 | -54.6 | -2.3 | 0 | 0 | 0 | 118.3 | N285 | N283-N285 PolarHBondContact O-N 2.89Å; N283-N285 VanDerWaalsContact O-N 3.08Å | ||
| 284 | I | 28.1 | Very low | 27.3 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 81% | 0.805 | 70% | 0.701 | S | S | * | * | trans | -77.2 | 76.6 | 136.3 | -56.5 | -176 | 0 | 0 | 0 | 107.1 | W286 | I284-W286 PolarHBondContact O-N 2.91Š| ||
| 285 | N | 23.8 | Very low | 27.3 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 54% | 0.54 | 71% | 0.713 | S | S | . | * | trans | -63.9 | 126.3 | 157.7 | -93.7 | -41.9 | 0 | 0 | 0 | 107.2 | N283 R287 | N283-N285 PolarHBondContact O-N 2.89Å; N283-N285 VanDerWaalsContact O-N 3.08Å; N285-R287 HydrophobicContact CB-CG 4.19Å; N285-R287 PolarHBondContact O-N 3.03Å | ||
| 286 | W | 26.8 | Very low | 27.2 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | trans | -72.4 | 65.9 | 159.1 | -68.9 | 95.7 | 0 | 0 | 0 | 109.1 | H38 I284 | H38-W286 AromaticContact CD2-CE3 3.73Å; H38-W286 AromaticContact CD2-CZ3 3.95Å; H38-W286 AromaticContact NE2-CE3 3.64Å; H38-W286 AromaticContact NE2-CZ3 3.88Å; I284-W286 PolarHBondContact O-N 2.91Å | ||
| 287 | R | 25.1 | Very low | 27.2 | Very low | 215 Ų | 215 | 147.7 Ų | 147.7 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -69.4 | 130.7 | 172.5 | -98 | -167.1 | -175.5 | -137.3 | 4.1 | 108.5 | N285 | N285-R287 HydrophobicContact CB-CG 4.19Å; N285-R287 PolarHBondContact O-N 3.03Å | ||
| 288 | P | 26.7 | Very low | 27.2 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | trans | -85.5 | 149.2 | -171.3 | 33.8 | -35.8 | 0 | 0 | 0 | 112.6 | ||||
| 289 | G | 26.4 | Very low | 27.1 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | 99.4 | 106.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 290 | E | 25.3 | Very low | 27 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 66% | 0.659 | 74% | 0.737 | S | S | * | * | trans | 171.3 | 75.2 | 130.7 | -88.8 | -84.6 | 85.6 | 0 | 0 | 108.8 | K292 | E290-K292 WeakPolarHBondContact OE1-CE 3.43Å; E290-K292 IonicContact OE1-NZ 2.69Å; E290-K292 PolarHBondContact OE1-NZ 3.34Å; E290-K292 IonicContact OE2-NZ 3.19Å; E290-K292 PolarHBondContact OE2-NZ 3.42Å | ||
| 291 | M | 28.9 | Very low | 27.1 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 58% | 0.581 | 74% | 0.741 | S | S | * | * | trans | -126.9 | 76 | 163 | -94.1 | -158.2 | 176.2 | 0 | 0 | 109.3 | ||||
| 292 | K | 27.5 | Very low | 26.7 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | -65.1 | 159.4 | 175 | -77.9 | 163.4 | 177.6 | 140.3 | 0 | 111.7 | E290 K294 | E290-K292 WeakPolarHBondContact OE1-CE 3.43Å; E290-K292 IonicContact OE1-NZ 2.69Å; E290-K292 PolarHBondContact OE1-NZ 3.34Å; E290-K292 IonicContact OE2-NZ 3.19Å; E290-K292 PolarHBondContact OE2-NZ 3.42Å; K292-K294 PolarHBondContact O-N 3.15Å | ||
| 293 | P | 26.5 | Very low | 26.7 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 49% | 0.487 | 72% | 0.724 | S | S | . | * | trans | -75.3 | 127.4 | -169.3 | -7 | 20.7 | 0 | 0 | 0 | 113.1 | D42 | D42-P293 HydrophobicContact CB-CB 3.95Å; D42-P293 HydrophobicContact CB-CG 3.75Å | ||
| 294 | K | 28.2 | Very low | 26.8 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -89.5 | 115.9 | 147.1 | -75.2 | -161.8 | 178.1 | -171 | 0 | 108.2 | K292 | K292-K294 PolarHBondContact O-N 3.15Š| ||
| 295 | R | 27.6 | Very low | 26.7 | Very low | 218 Ų | 218 | 149.1 Ų | 149.1 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | trans | -62.1 | 148.2 | -176.7 | -59 | 174.1 | -175.5 | 167.3 | 1 | 110.4 | L297 | R295-L297 PolarHBondContact O-N 3.04Š| ||
| 296 | P | 26.3 | Very low | 26.8 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 96.3 | 167.2 | 30 | -32.7 | 0 | 0 | 0 | 109.2 | T298 | P296-T298 PolarHBondContact O-N 3.37Š| ||
| 297 | L | 29 | Very low | 27 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | trans | -74.6 | 120.9 | 166.3 | -97.7 | 165.1 | 0 | 0 | 0 | 108.7 | R295 | R295-L297 PolarHBondContact O-N 3.04Š| ||
| 298 | T | 26.8 | Very low | 27.3 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -95.8 | 106.7 | -175.3 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | P296 | P296-T298 PolarHBondContact O-N 3.37Š| ||
| 299 | S | 26.1 | Very low | 27.3 | Very low | 114 Ų | 114 | 144.6 Ų | 144.6 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -158.9 | 150.1 | 149.6 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 300 | S | 25.2 | Very low | 27.5 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -60.6 | 145.4 | -177.2 | -50.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 301 | Y | 29.3 | Very low | 27.6 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 91% | 0.906 | 75% | 0.748 | S | S | * | * | trans | -137.7 | 114.7 | 131.7 | -85.6 | -73.9 | 0 | 0 | 0 | 110.5 | ||||
| 302 | K | 26.7 | Very low | 27.7 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -68.9 | 161.9 | 134.8 | -55 | 176.8 | -180 | 176.2 | 0 | 105.3 | ||||
| 303 | F | 26.5 | Very low | 27.8 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 57% | 0.57 | 77% | 0.766 | S | S | * | * | cis | 174.9 | 144.9 | 47.2 | -178.3 | -101 | 0 | 0 | 0 | 106.4 | T306 | F303-T306 WeakPolarHBondContact CE1-O 3.28Š| ||
| 304 | L | 27 | Very low | 27.9 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -171.8 | 88.8 | 146.2 | -116.8 | 153.2 | 0 | 0 | 0 | 113.6 | ||||
| 305 | K | 24.3 | Very low | 27.9 | Very low | 189 Ų | 189 | 151 Ų | 151 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 178.8 | 108.3 | 136.8 | -165.5 | 160.1 | -171.3 | 173.3 | 0 | 103.9 | ||
| 306 | T | 26.3 | Very low | 28.1 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 59% | 0.589 | 76% | 0.76 | S | S | * | * | cis | -136.1 | 155.5 | 28.5 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | F303 | F303-T306 WeakPolarHBondContact CE1-O 3.28Š| ||
| 307 | H | 31.6 | Very low | 28.2 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | -148.5 | 139.4 | 138.2 | -114.7 | -83.8 | 0 | 0 | 0 | 109 | ||||
| 308 | L | 30.3 | Very low | 28.2 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -117.5 | 142.4 | 156.2 | -103.2 | 163.7 | 0 | 0 | 0 | 105.9 | ||||
| 309 | D | 28.1 | Very low | 28.3 | Very low | 128 Ų | 128 | 149.4 Ų | 149.4 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | trans | 61.9 | 147 | 154.4 | -56.4 | -19.3 | 0 | 0 | 0 | 124 | ||||
| 310 | T | 30.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 155.1 Ų | 155.1 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 63.9 | 97.9 | 157.7 | 42 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 311 | D | 26.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -50.4 | 154.5 | 150.9 | -43.8 | -85.6 | 0 | 0 | 0 | 112.7 | ||||
| 312 | Y | 30.8 | Very low | 29.1 | Very low | 232 Ų | 232 | 149.3 Ų | 149.3 | 91% | 0.91 | 76% | 0.758 | S | S | * | * | -146 | 149.7 | 114.1 | -136.9 | -98 | 0 | 0 | 0 | 111.3 | |||||
| 313 | Q | 31 | Very low | 29.3 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -86 | -178.1 | 176 | -106.1 | 168.8 | -102.9 | 0 | 0 | 109.7 | ||||
| 314 | D | 28.4 | Very low | 29.4 | Very low | 111 Ų | 111 | 145 Ų | 145 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | cis | -146.9 | 176.4 | 13.6 | -118 | -32.9 | 0 | 0 | 0 | 111 | ||||
| 315 | D | 28.6 | Very low | 29.4 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 65% | 0.647 | 76% | 0.757 | S | S | * | * | trans | 30.5 | 139.9 | 147.2 | -68.1 | -26 | 0 | 0 | 0 | 121.4 | ||||
| 316 | Y | 31 | Very low | 29.5 | Very low | 213 Ų | 213 | 140 Ų | 140 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | -164.2 | 157.2 | 72.2 | -107.2 | -86.7 | 0 | 0 | 0 | 113.6 | |||||
| 317 | S | 28.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -154.6 | 112 | 155.4 | -70.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 318 | D | 29.9 | Very low | 29.3 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | 178.6 | 158 | 119.5 | -103 | -18.9 | 0 | 0 | 0 | 115.1 | |||||
| 319 | L | 29.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | 54 | 119.2 | 155.4 | -85.4 | 73.9 | 0 | 0 | 0 | 122.5 | ||||
| 320 | Y | 30.1 | Very low | 29.1 | Very low | 234 Ų | 234 | 141 Ų | 141 | 92% | 0.918 | 75% | 0.745 | S | S | * | * | trans | 48.2 | 121.4 | 132.5 | -80.1 | -104.6 | 0 | 0 | 0 | 122.3 | ||||
| 321 | G | 29.8 | Very low | 29 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 74% | 0.739 | S | S | * | * | trans | 163.7 | 119.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 322 | P | 36.8 | Very low | 29.2 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | trans | -102.6 | 164.2 | 175.7 | 38.5 | -33 | 0 | 0 | 0 | 113.9 | ||||
| 323 | G | 30.6 | Very low | 29.3 | Very low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 72% | 0.723 | S | S | * | * | trans | 130.3 | 107.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 324 | D | 28 | Very low | 29.3 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | 90 | 138.3 | 57.7 | -71.6 | -26.3 | 0 | 0 | 0 | 113.2 | |||||
| 325 | D | 28.1 | Very low | 29.5 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | 61.4 | 95.6 | 157.6 | -65 | -17.9 | 0 | 0 | 0 | 123.8 | ||||
| 326 | T | 26.8 | Very low | 29.7 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | 81.6 | 146.7 | 121 | 65.9 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 327 | Q | 26.8 | Very low | 29.7 | Very low | 158 Ų | 158 | 132 Ų | 132 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | 98.3 | 143.3 | 129.6 | -99.6 | 178.3 | 1.8 | 0 | 0 | 123.9 | |||||
| 328 | H | 26.6 | Very low | 30 | Very low | 129 Ų | 129 | 130 Ų | 130 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | trans | 70.1 | 99.7 | 152.6 | -70.5 | -66 | 0 | 0 | 0 | 124.6 | ||||
| 329 | E | 26.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | 72.2 | 124.9 | 113.9 | -75 | -174.3 | 124.3 | 0 | 0 | 125.9 | |||||
| 330 | L | 27.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | 45.7 | 124.5 | 124.9 | -58.6 | 173.6 | 0 | 0 | 0 | 122.3 | |||||
| 331 | N | 28.6 | Very low | 30.3 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | -176.9 | 140.6 | 98.5 | -91.4 | -46.8 | 0 | 0 | 0 | 110.3 | |||||
| 332 | I | 30.7 | Very low | 30.9 | Very low | 136 Ų | 136 | 124 Ų | 124 | 70% | 0.697 | 73% | 0.726 | S | S | * | * | 61.8 | 128.8 | 79.9 | -59 | -175.6 | 0 | 0 | 0 | 110.8 | |||||
| 333 | S | 33.1 | Very low | 30.6 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | cis | -156.6 | 159.5 | 35.7 | 3.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 334 | D | 31.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | 57 | 161.2 | 132.3 | -51.9 | -22.6 | 0 | 0 | 0 | 121.7 | ||||
| 335 | V | 30.8 | Very low | 31 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | cis | -163.7 | 160.1 | 1.1 | 107.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 336 | T | 33.4 | Very low | 30.9 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 61% | 0.607 | 73% | 0.726 | S | S | * | * | cis | -162.2 | 161.6 | -38.7 | 33.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 337 | H | 32.5 | Very low | 31.1 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 85% | 0.847 | 74% | 0.735 | S | S | * | * | trans | 69.5 | 152.3 | 155.3 | -62.7 | -51.9 | 0 | 0 | 0 | 123.1 | ||||
| 338 | G | 33.4 | Very low | 31.2 | Very low | 66 Ų | 66 | 128 Ų | 128 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | trans | 176.5 | -21.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 339 | T | 32.3 | Very low | 31.2 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 47.1 | 120.6 | 163.7 | 46.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 340 | D | 33.8 | Very low | 31.3 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | 69.7 | 144.2 | 130.6 | -51 | -17.3 | 0 | 0 | 0 | 124.4 | ||||
| 341 | G | 30 | Very low | 31.3 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 124.7 | 119.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 342 | P | 41.1 | Very low | 31.2 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -119.3 | 153.7 | -179.6 | 39.6 | -30.2 | 0 | 0 | 0 | 116 | ||||
| 343 | Q | 31.4 | Very low | 31.1 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | -174.3 | 163 | 129.1 | -102.7 | 153.2 | 109.8 | 0 | 0 | 115.3 | |||||
| 344 | T | 32.5 | Very low | 31.2 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -98 | -172.6 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 345 | P | 33.6 | Very low | 31.2 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | cis | -129.8 | 176.4 | -21.7 | 28.9 | -8.7 | 0 | 0 | 0 | 114 | ||||
| 346 | C | 26.4 | Very low | 31.3 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 72% | 0.716 | 79% | 0.785 | S | S | * | * | 168.1 | 150.8 | 117.9 | -88.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 347 | T | 31.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | 62 | 152 | 156.8 | 40.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 348 | L | 27.8 | Very low | 30.9 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -123.2 | 127.7 | -171.2 | -86 | 159.5 | 0 | 0 | 0 | 110.4 | ||||
| 349 | D | 26.9 | Very low | 30.8 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -146.5 | -174.8 | 151.8 | -112.1 | -38.5 | 0 | 0 | 0 | 109.5 | ||||
| 350 | E | 28.8 | Very low | 30.5 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -60.7 | 139.5 | -169.1 | -51.6 | -174.7 | 113.9 | 0 | 0 | 115.1 | ||||
| 351 | E | 28.1 | Very low | 30.3 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | -169.9 | 178.2 | 123.5 | -112.7 | -151.8 | 120.6 | 0 | 0 | 115.7 | |||||
| 352 | C | 26.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -118.7 | 101.4 | -176 | 173.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 353 | G | 28.9 | Very low | 29.7 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -96.4 | 153.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 354 | R | 33.7 | Very low | 29.5 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -152.7 | 117 | -173.1 | -179.3 | -137.8 | -65.4 | 162.1 | -1.9 | 115 | ||||
| 355 | T | 32.9 | Very low | 29.3 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -132.1 | 142 | 159.2 | 49 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 356 | K | 31.8 | Very low | 29.1 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | cis | 67.8 | 132.8 | 42.2 | -70.3 | -176.6 | 175.2 | -179.4 | 0 | 111.7 | N807 | K356-N807 PolarHBondContact NZ-OD1 3.16Š| ||
| 357 | L | 29.4 | Very low | 29.1 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | cis | -156.9 | -175.4 | 5.1 | -140.6 | 149 | 0 | 0 | 0 | 109.8 | ||||
| 358 | L | 29 | Very low | 28.9 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | trans | 72.8 | 143.4 | 164.7 | -63.1 | 174 | 0 | 0 | 0 | 117.7 | ||||
| 359 | H | 29.5 | Very low | 28.8 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | cis | -157.1 | 164.4 | -24 | -154.4 | -150.9 | 0 | 0 | 0 | 110.6 | ||||
| 360 | N | 27.8 | Very low | 28.8 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 73% | 0.725 | S | S | * | * | trans | 39.9 | 112.8 | 150.7 | -81.5 | 14.3 | 0 | 0 | 0 | 120.4 | ||||
| 361 | S | 29.5 | Very low | 28.8 | Very low | 88 Ų | 88 | 139.3 Ų | 139.3 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | 77.7 | 141.7 | 76.8 | 81.6 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 362 | Q | 29.4 | Very low | 28.6 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | cis | -158.9 | 166.4 | 45.7 | -116.8 | -170.1 | 6.7 | 0 | 0 | 111.9 | ||||
| 363 | V | 28.2 | Very low | 28.9 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 71% | 0.709 | 72% | 0.721 | S | S | * | * | trans | 58 | 144 | 137.4 | 165.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 364 | L | 27.8 | Very low | 28.9 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | cis | -170.2 | -172.3 | -25.5 | -159.6 | 64.3 | 0 | 0 | 0 | 106.8 | ||||
| 365 | E | 28.6 | Very low | 28.6 | Very low | 150 Ų | 150 | 155.1 Ų | 155.1 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 67.8 | 152 | 154 | -68.2 | -97.1 | 114.5 | 0 | 0 | 118.7 | ||||
| 366 | H | 27.9 | Very low | 28.5 | Very low | 133 Ų | 133 | 160.6 Ų | 160.6 | 62% | 0.616 | 74% | 0.735 | S | S | * | * | cis | -157 | -166.4 | -39.5 | -147.1 | 165.4 | 0 | 0 | 0 | 110.6 | ||||
| 367 | R | 26.2 | Very low | 28.4 | Very low | 209 Ų | 209 | 161.7 Ų | 161.7 | 79% | 0.789 | 74% | 0.743 | S | S | * | * | trans | -10.1 | 146.7 | 159.1 | -73.1 | 163.1 | 174.6 | -168 | -2.1 | 117.7 | ||||
| 368 | S | 28.6 | Very low | 28.6 | Very low | 77 Ų | 77 | 162.6 Ų | 162.6 | 54% | 0.538 | 75% | 0.748 | S | S | . | * | cis | -176.7 | -179.6 | 2.3 | 56 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 369 | R | 26.1 | Very low | 28.6 | Very low | 221 Ų | 221 | 161.2 Ų | 161.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | 76.9 | 149.4 | 145.2 | -91.3 | -179.2 | -79.3 | -163.9 | -2.8 | 121.4 | ||||
| 370 | V | 26 | Very low | 28.8 | Very low | 114 Ų | 114 | 164.3 Ų | 164.3 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | 73.6 | 112.4 | 146.3 | 172.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 371 | V | 28.2 | Very low | 29.1 | Very low | 120 Ų | 120 | 165.5 Ų | 165.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 5.1 | 117.2 | 136.5 | -170.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 372 | R | 25.3 | Very low | 29.2 | Very low | 219 Ų | 219 | 166.6 Ų | 166.6 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | -173.6 | 164.4 | 127.1 | -106.8 | 162.7 | -174 | 86.8 | -6.1 | 115.4 | |||||
| 373 | R | 31.8 | Very low | 29.4 | Very low | 242 Ų | 242 | 168.1 Ų | 168.1 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -59.2 | 157.1 | 160.9 | -57.9 | 165.1 | 171.3 | 157.5 | -6.7 | 110.3 | ||||
| 374 | R | 28.4 | Very low | 29.6 | Very low | 252 Ų | 252 | 171.3 Ų | 171.3 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | -145.4 | 136.9 | 142.3 | -113.8 | 172.9 | -170.8 | -175.6 | 1.9 | 112.4 | ||||
| 375 | R | 29 | Very low | 30.1 | Very low | 213 Ų | 213 | 167.9 Ų | 167.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 160.6 | 168 | -72.4 | 173.6 | 166.5 | 153.6 | -7.3 | 109.1 | ||||
| 376 | R | 30.2 | Very low | 30.2 | Very low | 247 Ų | 247 | 168.3 Ų | 168.3 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 128.7 | 146.1 | -76.3 | -175.5 | 174.1 | -177 | -3.6 | 107.9 | ||||
| 377 | Q | 30.4 | Very low | 30.5 | Very low | 158 Ų | 158 | 169.5 Ų | 169.5 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -144.2 | 112.8 | 168.4 | -147.6 | 170.2 | -20.1 | 0 | 0 | 105.5 | ||||
| 378 | N | 32.9 | Very low | 30.9 | Very low | 152 Ų | 152 | 164.4 Ų | 164.4 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -80.1 | 133.1 | 169.1 | -71.5 | 10.4 | 0 | 0 | 0 | 107 | ||||
| 379 | S | 28.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 172.1 Ų | 172.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -98.9 | 126 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 380 | Y | 34.6 | Very low | 31.4 | Very low | 209 Ų | 209 | 164.5 Ų | 164.5 | 82% | 0.82 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 124.8 | 155.3 | -88.5 | -83.4 | 0 | 0 | 0 | 108.6 | ||||
| 381 | N | 33.7 | Very low | 31.7 | Very low | 139 Ų | 139 | 167 Ų | 167 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | 51.6 | 95.7 | 152.1 | -59.2 | 0.5 | 0 | 0 | 0 | 121.3 | ||||
| 382 | S | 31.3 | Very low | 32 | Very low | 110 Ų | 110 | 167.9 Ų | 167.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | 70.7 | 151.2 | 116.3 | 70.6 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 383 | K | 33.4 | Very low | 32.4 | Very low | 199 Ų | 199 | 161.1 Ų | 161.1 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | 78 | 83.5 | 162.6 | -68.8 | -168.8 | 174.9 | -176.6 | 0 | 120.8 | ||||
| 384 | L | 32.6 | Very low | 32.2 | Very low | 183 Ų | 183 | 157.1 Ų | 157.1 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | 55.6 | 127.3 | 109.2 | -155.9 | 78.4 | 0 | 0 | 0 | 121 | |||||
| 385 | G | 39.4 | Very low | 32.6 | Very low | 68 Ų | 68 | 151.5 Ų | 151.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 172.1 | 111.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 386 | N | 30.4 | Very low | 32.6 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -131.9 | 135.8 | 175.1 | -83 | -11.6 | 0 | 0 | 0 | 109.6 | ||||
| 387 | L | 34.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | 177.4 | 145 | 126.6 | -121.7 | 71 | 0 | 0 | 0 | 112.4 | |||||
| 388 | S | 34.5 | Very low | 32.4 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 54.7 | 153.9 | 138.3 | -66.2 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 389 | R | 32.6 | Very low | 32.5 | Very low | 239 Ų | 239 | 144.3 Ų | 144.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | cis | -177.2 | 129.9 | -16.6 | 170 | -175 | -169.9 | -176.9 | 3.6 | 110.4 | ||||
| 390 | G | 31.3 | Very low | 32.6 | Very low | 61 Ų | 61 | 142.9 Ų | 142.9 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | trans | 90.1 | 127.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 391 | H | 33.6 | Very low | 32.5 | Very low | 166 Ų | 166 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | 78 | 133.6 | 124 | -83.3 | -80.8 | 0 | 0 | 0 | 124.4 | |||||
| 392 | D | 33.3 | Very low | 32.4 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 63 | 159.3 | 141.9 | -51.3 | -18.7 | 0 | 0 | 0 | 120.7 | ||||
| 393 | A | 34.1 | Very low | 32.3 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -167.3 | 141.4 | -36.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 394 | D | 29.2 | Very low | 32.2 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | 47.7 | 174.4 | 155.2 | -57.7 | -23.9 | 0 | 0 | 0 | 122.8 | ||||
| 395 | V | 35.7 | Very low | 32 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 90.1 | 143.6 | 167.5 | -168.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 396 | E | 29 | Very low | 31.9 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -60.5 | 178.7 | 179.6 | -56.5 | 157.6 | 138.7 | 0 | 0 | 113.3 | ||||
| 397 | E | 29.3 | Very low | 31.8 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | cis | -159.7 | 172.5 | 18.6 | -148 | -159.2 | 123.1 | 0 | 0 | 111.7 | ||||
| 398 | S | 28.2 | Very low | 31.5 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | 38.6 | 157.5 | 146.2 | -71.2 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 399 | E | 34.6 | Very low | 31.3 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | 72.6 | 139.1 | 176.8 | -49.6 | -167.6 | 170.5 | 0 | 0 | 114.4 | ||||
| 400 | G | 29.5 | Very low | 31 | Very low | 79 Ų | 79 | 136.7 Ų | 136.7 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | cis | 131.2 | 136.2 | 35.4 | 0 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 401 | E | 32.9 | Very low | 30.8 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | cis | -162.1 | 168.9 | 26.1 | -165.9 | -169.8 | 149.4 | 0 | 0 | 109.4 | ||||
| 402 | L | 31.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | trans | 44.6 | 112 | 160.9 | -102.7 | 51.2 | 0 | 0 | 0 | 119.7 | ||||
| 403 | V | 28.9 | Very low | 30.3 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | 55.2 | 115.6 | 70.2 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 404 | T | 30.9 | Very low | 30.1 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | -160.7 | 138.4 | 92.1 | -65.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 405 | V | 29.2 | Very low | 30.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | trans | -100.1 | 127.1 | 167.4 | 175.5 | 0 | 0 | 0 | 0 | 109.7 | S407 | V405-S407 PolarHBondContact O-N 3.28Å; V405-S407 VanDerWaalsContact O-N 3.09Å | ||
| 406 | P | 36.9 | Very low | 29.7 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -77.9 | 93.1 | 169.2 | 31 | -31.6 | 0 | 0 | 0 | 110 | ||||
| 407 | S | 27.6 | Very low | 29.7 | Very low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -80.7 | 151.5 | 170.2 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | V405 | V405-S407 PolarHBondContact O-N 3.28Å; V405-S407 VanDerWaalsContact O-N 3.09Å | ||
| 408 | R | 29.4 | Very low | 29.5 | Very low | 211 Ų | 211 | 133.9 Ų | 133.9 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | -16.6 | 126.9 | 159.3 | -168.6 | -175.1 | -161.2 | 161.6 | 5.1 | 115.2 | ||||
| 409 | K | 30.5 | Very low | 29.4 | Very low | 210 Ų | 210 | 136.6 Ų | 136.6 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | trans | -147.9 | 131.7 | 158.3 | -125.6 | 172.4 | -174.7 | 177.3 | 0 | 112.4 | ||||
| 410 | D | 26.1 | Very low | 28.9 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | trans | -97.6 | -175.5 | -168.7 | -46.3 | -94.7 | 0 | 0 | 0 | 112.7 | ||||
| 411 | I | 27.2 | Very low | 28.7 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | 89.8 | 139.2 | 158.4 | -59.3 | 149.8 | 0 | 0 | 0 | 118.4 | ||||
| 412 | G | 29.8 | Very low | 28.3 | Very low | 61 Ų | 61 | 134 Ų | 134 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | 102.8 | 90.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | E | 25.8 | Very low | 28.1 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | 52.9 | 125.9 | 64.6 | -51.8 | -163.1 | 121.5 | 0 | 0 | 111.7 | |||||
| 414 | I | 30.3 | Very low | 28 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | -154.3 | 156.8 | 51.2 | -73.7 | 162 | 0 | 0 | 0 | 111.5 | |||||
| 415 | G | 29.9 | Very low | 27.8 | Very low | 56 Ų | 56 | 132.1 Ų | 132.1 | 58% | 0.577 | 73% | 0.733 | S | S | * | * | trans | 90.1 | 123 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 416 | F | 26 | Very low | 27.7 | Very low | 181 Ų | 181 | 132 Ų | 132 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | cis | 59.6 | 131.9 | 37 | -62.5 | -115.8 | 0 | 0 | 0 | 112.7 | ||||
| 417 | G | 28.6 | Very low | 27.4 | Very low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | cis | -106.5 | -173 | 4.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 418 | D | 25.3 | Very low | 27.4 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | cis | 61.7 | 129.7 | 48.4 | -69.3 | 49 | 0 | 0 | 0 | 110.8 | ||||
| 419 | Q | 26.1 | Very low | 27.2 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | cis | -164.6 | 177.5 | 14.2 | -118.6 | 166 | 58 | 0 | 0 | 110.1 | ||||
| 420 | I | 24.8 | Very low | 27.1 | Very low | 133 Ų | 133 | 127.6 Ų | 127.6 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | trans | 54 | 108.4 | 145.3 | -68.9 | 168.3 | 0 | 0 | 0 | 117.8 | ||||
| 421 | V | 25 | Very low | 27.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | 89.5 | 146.8 | 71.2 | 156.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 422 | D | 24.8 | Very low | 26.9 | Very low | 146 Ų | 146 | 126.4 Ų | 126.4 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | trans | 70 | 165.7 | 172.6 | -67.1 | -29.3 | 0 | 0 | 0 | 120.3 | ||||
| 423 | G | 28.1 | Very low | 26.7 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | trans | 84.7 | 86.5 | -168 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 424 | F | 25 | Very low | 26.7 | Very low | 125 Ų | 125 | 129 Ų | 129 | 55% | 0.548 | 69% | 0.692 | S | S | . | * | cis | 60.4 | 144.2 | 38.9 | -92.3 | -77.5 | 0 | 0 | 0 | 115.2 | M944 | F424-M944 HydrophobicContact CE2-CB 4.47Å; F424-M944 HydrophobicContact CE2-CG 4.31Å; F424-M944 HydrophobicContact CE2-SD 4.29Å; F424-M944 HydrophobicContact CZ-CB 4.15Å; F424-M944 HydrophobicContact CZ-CG 4.09Å; F424-M944 HydrophobicContact CZ-SD 3.66Å | ||
| 425 | N | 28.3 | Very low | 26.4 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | 72.2 | 119.3 | -170.5 | -54.4 | -24 | 0 | 0 | 0 | 114.6 | ||||
| 426 | L | 27.4 | Very low | 26.2 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | cis | 73.7 | 88.3 | 28.1 | -161.4 | 83.5 | 0 | 0 | 0 | 113.8 | F428 | L426-F428 HydrophobicContact CD2-CD2 4.4Å; L426-F428 HydrophobicContact CD2-CE2 3.99Å; L426-F428 HydrophobicContact CG-CD2 4.35Å; L426-F428 HydrophobicContact CG-CE2 4.43Å | ||
| 427 | D | 30.2 | Very low | 26.3 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 71% | 0.708 | S | S | * | * | trans | -124.5 | 116.8 | 135.5 | -85 | -51.2 | 0 | 0 | 0 | 107.5 | ||||
| 428 | F | 26.2 | Very low | 26.3 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 58% | 0.579 | 71% | 0.712 | S | S | * | * | 71.6 | 118.6 | 80.2 | -86.1 | -83.6 | 0 | 0 | 0 | 110.9 | L426 | L426-F428 HydrophobicContact CD2-CD2 4.4Å; L426-F428 HydrophobicContact CD2-CE2 3.99Å; L426-F428 HydrophobicContact CG-CD2 4.35Å; L426-F428 HydrophobicContact CG-CE2 4.43Å | |||
| 429 | I | 27 | Very low | 26.4 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | cis | 66.8 | 140.9 | 33.5 | -44 | -178.6 | 0 | 0 | 0 | 111 | ||||
| 430 | H | 26.3 | Very low | 26.6 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 68% | 0.676 | 72% | 0.715 | S | S | * | * | trans | 69.8 | 137.4 | -156.8 | -67.8 | -114.5 | 0 | 0 | 0 | 112.7 | ||||
| 431 | Q | 26.4 | Very low | 26.9 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | cis | -143.3 | 150.6 | -1 | -132.3 | 164.9 | 122.6 | 0 | 0 | 114 | ||||
| 432 | L | 23.5 | Very low | 27.2 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 50% | 0.503 | 71% | 0.714 | S | S | . | * | trans | -76.7 | 172.4 | 154.4 | -92.9 | 76 | 0 | 0 | 0 | 109.2 | ||||
| 433 | Q | 26.2 | Very low | 27.5 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | 72.9 | 117 | 173.3 | -53.8 | -79.5 | -27.8 | 0 | 0 | 113 | ||||
| 434 | L | 25 | Very low | 27.7 | Very low | 143 Ų | 143 | 130 Ų | 130 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | 87.5 | 128.7 | 61.5 | -88.9 | 163 | 0 | 0 | 0 | 114.1 | |||||
| 435 | K | 25.2 | Very low | 28.1 | Very low | 202 Ų | 202 | 129.1 Ų | 129.1 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | 58.1 | 116.8 | 174.1 | -67 | -178.9 | 169.5 | -175.6 | 0 | 115.7 | ||||
| 436 | G | 26 | Very low | 28.3 | Very low | 85 Ų | 85 | 126.6 Ų | 126.6 | 88% | 0.876 | 72% | 0.722 | S | S | * | * | cis | 107.6 | 132 | 28.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 437 | G | 26.9 | Very low | 28.6 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | trans | 127.5 | 145.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 438 | G | 27.9 | Very low | 28.7 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | trans | 78.5 | 105.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 439 | S | 28.6 | Very low | 29 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | 77.4 | 144.7 | 58.3 | 91.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 440 | D | 29.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | cis | -139.4 | -179.6 | 17.2 | -97.8 | -66.2 | 0 | 0 | 0 | 114.2 | ||||
| 441 | H | 31.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | 77.1 | 133.8 | 165 | -53.5 | -67.3 | 0 | 0 | 0 | 117.4 | ||||
| 442 | H | 32 | Very low | 29.8 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 63% | 0.634 | 74% | 0.736 | S | S | * | * | cis | -156.2 | 154.5 | 1.5 | -130.7 | -59.8 | 0 | 0 | 0 | 113.6 | ||||
| 443 | F | 30.1 | Very low | 30 | Very low | 187 Ų | 187 | 126.3 Ų | 126.3 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | trans | 77 | 100.1 | 159.5 | -73.6 | -67.4 | 0 | 0 | 0 | 122.8 | ||||
| 444 | G | 31.8 | Very low | 30.1 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | 93.2 | 141.3 | 127.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 445 | S | 33.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | cis | -165.2 | 147.8 | -11.7 | -175.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 446 | S | 33 | Very low | 30.5 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | 43.4 | 138.4 | 149.5 | 55.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 447 | N | 34.2 | Very low | 30.7 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | cis | -160 | 179.4 | 2.4 | -105.6 | 1.7 | 0 | 0 | 0 | 110.4 | ||||
| 448 | S | 31.6 | Very low | 31.5 | Very low | 91 Ų | 91 | 122.4 Ų | 122.4 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -68.7 | -178.8 | 172.8 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 449 | D | 32.3 | Very low | 31.8 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | cis | -155.9 | 157 | 21.1 | -106.6 | -51 | 0 | 0 | 0 | 113.7 | ||||
| 450 | I | 31.4 | Very low | 32 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 51.8 | 139.9 | 140.5 | -63.5 | 162.6 | 0 | 0 | 0 | 123.2 | ||||
| 451 | N | 30.8 | Very low | 32.4 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | 84.7 | 133.5 | 158.4 | -94.6 | 4 | 0 | 0 | 0 | 121.7 | ||||
| 452 | P | 35.5 | Very low | 32.5 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -99.7 | 145.2 | 164.4 | 37.4 | -29.6 | 0 | 0 | 0 | 112.2 | ||||
| 453 | D | 27.3 | Very low | 32.7 | Very low | 157 Ų | 157 | 132.8 Ų | 132.8 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -167.9 | 164.4 | 130.1 | -134.9 | -32.1 | 0 | 0 | 0 | 113.3 | ||||
| 454 | S | 27.8 | Very low | 32.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | trans | 71.3 | 131.3 | 149.4 | 75.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 455 | T | 27.4 | Very low | 32.9 | Very low | 124 Ų | 124 | 133 Ų | 133 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | trans | 75.4 | 129.6 | 137.2 | 44.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 456 | V | 31.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | trans | 74.9 | 114 | 140.5 | 169.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 457 | L | 31.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 133.4 Ų | 133.4 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | 65.6 | 162.9 | 60.6 | -71 | 171.7 | 0 | 0 | 0 | 114.5 | |||||
| 458 | P | 41.8 | Very low | 32.6 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | cis | -134.3 | -175.2 | -33.5 | 35.5 | -18.2 | 0 | 0 | 0 | 113 | ||||
| 459 | K | 36 | Very low | 32.4 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | 162.7 | 159.9 | 128.3 | -88.5 | 158.2 | -176 | 172.9 | 0 | 111.6 | |||||
| 460 | R | 32.9 | Very low | 32.1 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | cis | 177.6 | 142.5 | -30.2 | -154.4 | 175.3 | 167.9 | 162.8 | -2.3 | 105 | ||||
| 461 | K | 36.9 | Very low | 31.8 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 79% | 0.787 | 73% | 0.727 | S | S | * | * | -157.4 | 142.4 | 54.3 | -76.4 | 175.6 | 176.5 | -176 | 0 | 108.1 | |||||
| 462 | Q | 33.4 | Very low | 31.7 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 59% | 0.589 | 72% | 0.723 | S | S | * | * | 61 | 139.1 | 73.5 | -60.4 | -172.2 | -81.6 | 0 | 0 | 113.3 | |||||
| 463 | V | 37.4 | Very low | 31.2 | Very low | 121 Ų | 121 | 132 Ų | 132 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | cis | -146.3 | 128.8 | 42.2 | 155.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 464 | S | 29.1 | Very low | 31.3 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 59% | 0.587 | 72% | 0.718 | S | S | * | * | 58.2 | 145.7 | 72 | 64 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 465 | E | 36 | Very low | 31.3 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | cis | -145.4 | -163.5 | 34.5 | -68.3 | 175.7 | 149.5 | 0 | 0 | 113.8 | ||||
| 466 | S | 27 | Very low | 31.6 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | -154.7 | -154.9 | -172 | 62.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 467 | P | 38.7 | Very low | 31.6 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | cis | -131.4 | -175 | -30.8 | 41.6 | -25.3 | 0 | 0 | 0 | 113.7 | ||||
| 468 | L | 27.9 | Very low | 31.8 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | trans | 64.3 | 161.9 | 159.9 | -64.5 | 163.6 | 0 | 0 | 0 | 116.8 | ||||
| 469 | D | 27.4 | Very low | 31.3 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -150.8 | 167 | -4.6 | -141.4 | -31.4 | 0 | 0 | 0 | 112.7 | ||||
| 470 | S | 26.3 | Very low | 31.4 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | trans | 62 | 118.1 | 151.6 | 70.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 471 | S | 26.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | 82.7 | 140.5 | 131.3 | 82.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 472 | N | 27.3 | Very low | 31.5 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 76.9 | 119.2 | 141.1 | -66.7 | -17.2 | 0 | 0 | 0 | 124.4 | ||||
| 473 | L | 25.2 | Very low | 31.5 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 71% | 0.707 | 74% | 0.736 | S | S | * | * | trans | 58.5 | 123.4 | 138.5 | -80.5 | 80.7 | 0 | 0 | 0 | 122.4 | ||||
| 474 | H | 29.6 | Very low | 31.5 | Very low | 164 Ų | 164 | 124.6 Ų | 124.6 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | trans | 68.4 | 158 | 144.9 | -71.4 | -132.7 | 0 | 0 | 0 | 116.3 | ||||
| 475 | T | 29.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -151.6 | 163 | 10.3 | -20.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 476 | S | 32.2 | Very low | 31.4 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | 75.8 | 145.5 | 148.7 | -64.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 477 | A | 32.5 | Very low | 31.5 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | trans | -142.9 | 171.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 478 | K | 34.2 | Very low | 31.4 | Very low | 194 Ų | 194 | 127.3 Ų | 127.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | 165 | 144.5 | 164.8 | -94.5 | 171.7 | 179.3 | -176.8 | 0 | 105.8 | ||||
| 479 | L | 32.5 | Very low | 31.4 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -157.6 | 170.3 | 2.6 | -98.1 | 160.3 | 0 | 0 | 0 | 106.9 | ||||
| 480 | S | 36.7 | Very low | 31.5 | Very low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | cis | -168.9 | 155 | 2.6 | 39.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 481 | N | 37.1 | Very low | 31.8 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 69% | 0.69 | 74% | 0.741 | S | S | * | * | trans | 61.4 | 105 | 136.7 | -64 | 16.1 | 0 | 0 | 0 | 120.2 | ||||
| 482 | T | 35.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | 76.4 | 147.2 | 90 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 483 | L | 34.4 | Very low | 32 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | cis | -153.4 | 158 | 10.1 | -162.4 | 62.8 | 0 | 0 | 0 | 108.3 | ||||
| 484 | G | 37.4 | Very low | 32.2 | Very low | 61 Ų | 61 | 125.1 Ų | 125.1 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | cis | 164.2 | 161.2 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 485 | D | 31.2 | Very low | 32.1 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | trans | 40.8 | 127.3 | 153 | -51.7 | -43.6 | 0 | 0 | 0 | 123.6 | ||||
| 486 | F | 30.5 | Very low | 32.2 | Very low | 214 Ų | 214 | 127.1 Ų | 127.1 | 94% | 0.939 | 74% | 0.737 | S | S | * | * | -149.4 | 143.8 | 101.7 | -113.7 | -76.5 | 0 | 0 | 0 | 110.9 | |||||
| 487 | S | 29.8 | Very low | 32 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 60% | 0.601 | 73% | 0.728 | S | S | * | * | trans | -132.1 | 142.5 | -170.4 | 175.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 488 | A | 36.2 | Very low | 32 | Very low | 99 Ų | 99 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -169.8 | 154.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 489 | N | 28.4 | Very low | 31.6 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | -169 | 160.2 | -51.4 | -129.5 | -7.3 | 0 | 0 | 0 | 107.7 | |||||
| 490 | T | 29.4 | Very low | 31.6 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | 56.6 | 155.9 | 158.2 | 52.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 491 | E | 32.5 | Very low | 31.3 | Very low | 169 Ų | 169 | 125.6 Ų | 125.6 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | cis | -159.7 | 168.2 | -8.3 | -114.9 | 158.4 | -149.6 | 0 | 0 | 105.2 | ||||
| 492 | S | 27.3 | Very low | 30.9 | Very low | 84 Ų | 84 | 127.7 Ų | 127.7 | 59% | 0.587 | 73% | 0.729 | S | S | * | * | cis | -172.2 | -174.7 | -38.2 | 65.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 493 | S | 29.4 | Very low | 30.7 | Very low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | 62.8 | 134.8 | 153.2 | -60.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 494 | N | 30.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | cis | -167.8 | 133.7 | 3 | -114 | -34.4 | 0 | 0 | 0 | 110.6 | ||||
| 495 | K | 28.2 | Very low | 29.8 | Very low | 177 Ų | 177 | 126.3 Ų | 126.3 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | 71.6 | 143.7 | 129.7 | -75 | 171.7 | -176 | 175 | 0 | 123.3 | |||||
| 496 | V | 30.6 | Very low | 29.8 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 87% | 0.873 | 72% | 0.722 | S | S | * | * | trans | 65.6 | 126.3 | 162.3 | -176.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 497 | G | 28.9 | Very low | 29.6 | Very low | 62 Ų | 62 | 120.9 Ų | 120.9 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | cis | 160.1 | -179.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 498 | V | 31.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | trans | 70.2 | 103.7 | 177.9 | -164 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 499 | L | 27 | Very low | 29.3 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | 52.6 | 131.9 | 91.4 | -88.5 | 68.9 | 0 | 0 | 0 | 112.3 | |||||
| 500 | K | 31.4 | Very low | 29.5 | Very low | 179 Ų | 179 | 123.6 Ų | 123.6 | 78% | 0.778 | 72% | 0.715 | S | S | * | * | cis | -172 | 156.5 | 37 | -121.5 | 173.3 | 173.3 | -177.1 | 0 | 106.9 | ||||
| 501 | T | 30 | Very low | 29.3 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 60% | 0.595 | 72% | 0.72 | S | S | * | * | cis | -160.4 | 149.8 | -0 | -17.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 502 | Q | 29.9 | Very low | 29 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | trans | 63.6 | 147.8 | 139.2 | -96 | 164.3 | -36.7 | 0 | 0 | 125.3 | ||||
| 503 | S | 29.5 | Very low | 29 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 65.6 | 117.9 | 153.8 | 44.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 504 | T | 27.5 | Very low | 28.9 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | cis | 69.6 | 133.3 | 43.9 | 75.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 505 | S | 27.1 | Very low | 28.7 | Very low | 86 Ų | 86 | 130.6 Ų | 130.6 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | cis | -166.7 | -178 | -12.2 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 506 | D | 29.5 | Very low | 28.7 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 60 | 103.1 | 151.2 | -47.2 | -38.8 | 0 | 0 | 0 | 120.8 | ||||
| 507 | S | 26.8 | Very low | 28.6 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | -0.8 | 164.2 | 122.6 | 64 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 508 | P | 34.8 | Very low | 28.6 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 69% | 0.688 | 74% | 0.736 | S | S | * | * | cis | -140.8 | -158.8 | -18.4 | 27.4 | -1.4 | 0 | 0 | 0 | 113.9 | ||||
| 509 | I | 26.4 | Very low | 28.3 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 80% | 0.795 | 73% | 0.733 | S | S | * | * | trans | 70.8 | 169.2 | 162.3 | 8 | -179.4 | 0 | 0 | 0 | 116.2 | ||||
| 510 | P | 32.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | -134.6 | -167.7 | -119.2 | 44.9 | -25.6 | 0 | 0 | 0 | 116.3 | |||||
| 511 | L | 24.4 | Very low | 28.2 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | 110.9 | 110.3 | 143.1 | -143.3 | 85.4 | 0 | 0 | 0 | 118.1 | ||||
| 512 | K | 25.9 | Very low | 28.1 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 78.1 | 143.7 | 139.6 | -98.8 | -175.8 | 173.8 | -167.8 | 0 | 122.2 | ||||
| 513 | T | 28.4 | Very low | 28.2 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | trans | 63.2 | 141.6 | 149.5 | 50.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 514 | D | 25.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | cis | -160.7 | 170.8 | -9.8 | -113.7 | -14.7 | 0 | 0 | 0 | 110 | ||||
| 515 | Q | 26.3 | Very low | 28.3 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 62.4 | 119.5 | 167.8 | -63.7 | 168.8 | 43.8 | 0 | 0 | 118 | ||||
| 516 | F | 29.7 | Very low | 28.4 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | -154.2 | 165.6 | 97.4 | -118.2 | -85.3 | 0 | 0 | 0 | 110.1 | |||||
| 517 | T | 27.5 | Very low | 28.2 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | -120.1 | 144.4 | -161.8 | -43.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 518 | E | 28.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 158.4 | 165.3 | 124.5 | -83.6 | -168.3 | 147.2 | 0 | 0 | 114.4 | |||||
| 519 | L | 26.7 | Very low | 28 | Very low | 139 Ų | 139 | 142 Ų | 142 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | 62.3 | 94 | 174.3 | -91.6 | 62.3 | 0 | 0 | 0 | 119.5 | ||||
| 520 | E | 29.6 | Very low | 28 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | 56.9 | 148 | 110.7 | -69.8 | -163.5 | 133.4 | 0 | 0 | 122 | |||||
| 521 | C | 25.3 | Very low | 27.9 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 72% | 0.716 | 74% | 0.741 | S | S | * | * | cis | -172.4 | 141.4 | -27.2 | -121 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 522 | L | 29.1 | Very low | 28.1 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | trans | 171.4 | 151.5 | 150.9 | -91.6 | 157.2 | 0 | 0 | 0 | 109.6 | ||||
| 523 | P | 31.7 | Very low | 28.3 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 71% | 0.714 | 72% | 0.716 | S | S | * | * | trans | -111.8 | 172.4 | -142.7 | 3.6 | 21 | 0 | 0 | 0 | 116.5 | ||||
| 524 | P | 30.4 | Very low | 28.5 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | trans | -107.1 | 138.5 | -165.1 | 37.9 | -31.4 | 0 | 0 | 0 | 115.9 | ||||
| 525 | H | 27.7 | Very low | 28.8 | Very low | 185 Ų | 185 | 125.7 Ų | 125.7 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | trans | -147.2 | 104.5 | 166.1 | -84.3 | -85.9 | 0 | 0 | 0 | 113.3 | ||||
| 526 | L | 28.6 | Very low | 29 | Very low | 159 Ų | 159 | 123.3 Ų | 123.3 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | trans | 173.6 | 64.1 | 144 | -98.4 | 161.7 | 0 | 0 | 0 | 113.1 | H528 | L526-H528 VanDerWaalsContact C-N 3.29Å; L526-H528 PolarHBondContact O-N 3.34Å | ||
| 527 | S | 25.3 | Very low | 29 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | trans | -79.2 | 48.4 | -175.2 | 49.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 528 | H | 29.5 | Very low | 29.2 | Very low | 134 Ų | 134 | 116.2 Ų | 116.2 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | trans | -136.2 | 31.6 | -174.7 | -77.7 | -56.3 | 0 | 0 | 0 | 117 | L526 | L526-H528 VanDerWaalsContact C-N 3.29Å; L526-H528 PolarHBondContact O-N 3.34Å | ||
| 529 | I | 29.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 65% | 0.651 | 64% | 0.637 | S | S | * | * | trans | -118.9 | 71.5 | 176.7 | -48 | -176.7 | 0 | 0 | 0 | 111.9 | L532 | I529-L532 HydrophobicContact CG2-CD1 3.85Š| ||
| 530 | S | 26.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 112.8 Ų | 112.8 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | trans | -136.7 | 29.5 | -177.6 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 531 | S | 29.9 | Very low | 29.5 | Very low | 70 Ų | 70 | 107.5 Ų | 107.5 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | trans | -129.2 | -0.1 | -174.1 | 58.8 | 0 | 0 | 0 | 0 | 115.9 | S534 S535 | S531-S534 PolarHBondContact O-OG 2.85Å; S531-S535 PolarHBondContact O-OG 3.37Å; S531-S535 VanDerWaalsContact O-OG 3.13Å | ||
| 532 | L | 28.3 | Very low | 29.8 | Very low | 105 Ų | 105 | 106.3 Ų | 106.3 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -75.3 | -28.6 | -169.3 | -73.3 | 167.7 | 0 | 0 | 0 | 114.8 | I529 S534 S535 | I529-L532 HydrophobicContact CG2-CD1 3.85Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.45Å; L532-S535 PolarHBondContact O-N 3.04Å |
| 533 | S | 30.7 | Very low | 29.9 | Very low | 62 Ų | 62 | 99.1 Ų | 99.1 | 43% | 0.434 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -77.7 | -11.2 | -174.1 | 64.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 534 | S | 32.2 | Very low | 30 | Very low | 92 Ų | 92 | 98.5 Ų | 98.5 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -101.7 | -6.4 | 175.2 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | S531 L532 | S531-S534 PolarHBondContact O-OG 2.85Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.45Å |
| 535 | S | 31.5 | Very low | 30 | Very low | 31 Ų | 31 | 99.5 Ų | 99.5 | 22% | 0.217 | 56% | 0.557 | C | S | . | * | trans | -84.8 | -12.9 | -165.3 | -71.8 | 0 | 0 | 0 | 0 | 115.5 | S531 L532 D537 S538 F539 | S531-S535 PolarHBondContact O-OG 3.37Å; S531-S535 VanDerWaalsContact O-OG 3.13Å; L532-S535 PolarHBondContact O-N 3.04Å; S535-D537 VanDerWaalsContact C-N 3.33Å; S535-D537 PolarHBondContact O-N 3.23Å; S535-S538 CarbonylContact O-C 3.58Å; S535-S538 PolarHBondContact O-N 3.34Å; S535-S538 PolarHBondContact O-OG 3.07Å; S535-F539 WeakPolarHBondContact O-CB 3.49Å; S535-F539 PolarHBondContact O-N 3.34Å | ||
| 536 | F | 30 | Very low | 30.2 | Very low | 110 Ų | 110 | 94.3 Ų | 94.3 | 48% | 0.482 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -32.1 | -172.2 | -97.8 | -84.2 | 0 | 0 | 0 | 115 | L1539 | F536-L1539 HydrophobicContact CD2-CD2 3.88Å; F536-L1539 HydrophobicContact CE2-CD2 4.21Å |
| 537 | D | 31.2 | Very low | 30.3 | Very low | 108 Ų | 108 | 92.7 Ų | 92.7 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -83 | -14.1 | 174.7 | -53.9 | -57.2 | 0 | 0 | 0 | 112.9 | S535 K1535 | S535-D537 VanDerWaalsContact C-N 3.33Å; S535-D537 PolarHBondContact O-N 3.23Å; D537-K1535 IonicContact OD1-NZ 2.78Å; D537-K1535 PolarHBondContact OD1-NZ 3.34Å; D537-K1535 IonicContact OD2-NZ 3.96Å; D537-K1535 PolarHBondContact OD2-NZ 3.19Å |
| 538 | S | 31 | Very low | 30.7 | Very low | 60 Ų | 60 | 96.9 Ų | 96.9 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -99.8 | -24.3 | 177.3 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | S535 V540 G541 S542 | S535-S538 CarbonylContact O-C 3.58Å; S535-S538 PolarHBondContact O-N 3.34Å; S535-S538 PolarHBondContact O-OG 3.07Å; S538-V540 VanDerWaalsContact C-N 3.27Å; S538-V540 PolarHBondContact O-N 3.49Å; S538-G541 CarbonylContact O-C 3.6Å; S538-G541 WeakPolarHBondContact O-CA 3.39Å; S538-G541 PolarHBondContact O-N 3.23Å; S538-S542 WeakPolarHBondContact O-CB 3.38Å; S538-S542 PolarHBondContact O-N 2.83Å |
| 539 | F | 28.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 98.9 Ų | 98.9 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.6 | -35.3 | -177.3 | -146.4 | -106.9 | 0 | 0 | 0 | 112.3 | S535 G541 S543 | S535-F539 WeakPolarHBondContact O-CB 3.49Å; S535-F539 PolarHBondContact O-N 3.34Å; F539-G541 PolarHBondContact O-N 3.11Å; F539-S543 WeakPolarHBondContact CD1-OG 3.5Å; F539-S543 VanDerWaalsContact CD2-OG 3.31Å; F539-S543 WeakPolarHBondContact CD2-OG 3.39Å; F539-S543 WeakPolarHBondContact CE1-OG 3.47Å; F539-S543 WeakPolarHBondContact CE2-OG 3.33Å; F539-S543 VanDerWaalsContact CG-OG 3.31Å; F539-S543 WeakPolarHBondContact CG-OG 3.42Å; F539-S543 WeakPolarHBondContact CZ-OG 3.35Å; F539-S543 VanDerWaalsContact O-CB 3.3Å; F539-S543 WeakPolarHBondContact O-CB 3.28Å; F539-S543 PolarHBondContact O-N 3.38Å; F539-S543 VanDerWaalsContact O-N 3.17Å; F539-S543 PolarHBondContact O-OG 3.49Å |
| 540 | V | 32.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 97 Ų | 97 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.5 | -21 | 176 | -175 | 0 | 0 | 0 | 0 | 112.3 | S538 | S538-V540 VanDerWaalsContact C-N 3.27Å; S538-V540 PolarHBondContact O-N 3.49Å |
| 541 | G | 30.8 | Very low | 30.6 | Very low | 58 Ų | 58 | 98.3 Ų | 98.3 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -96.7 | -40.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S538 F539 | S538-G541 CarbonylContact O-C 3.6Å; S538-G541 WeakPolarHBondContact O-CA 3.39Å; S538-G541 PolarHBondContact O-N 3.23Å; F539-G541 PolarHBondContact O-N 3.11Å |
| 542 | S | 30.2 | Very low | 30.4 | Very low | 81 Ų | 81 | 99.1 Ų | 99.1 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -92.6 | -31.6 | -166 | -158.8 | 0 | 0 | 0 | 0 | 114.4 | S538 R544 R545 | S538-S542 WeakPolarHBondContact O-CB 3.38Å; S538-S542 PolarHBondContact O-N 2.83Å; S542-R544 PolarHBondContact O-N 2.77Å; S542-R545 PolarHBondContact O-N 2.78Å |
| 543 | S | 31.5 | Very low | 30.4 | Very low | 24 Ų | 24 | 101.8 Ų | 101.8 | 17% | 0.168 | 55% | 0.554 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | 11.6 | -177.2 | -58.6 | 0 | 0 | 0 | 0 | 114.8 | F539 R545 | F539-S543 WeakPolarHBondContact CD1-OG 3.5Å; F539-S543 VanDerWaalsContact CD2-OG 3.31Å; F539-S543 WeakPolarHBondContact CD2-OG 3.39Å; F539-S543 WeakPolarHBondContact CE1-OG 3.47Å; F539-S543 WeakPolarHBondContact CE2-OG 3.33Å; F539-S543 VanDerWaalsContact CG-OG 3.31Å; F539-S543 WeakPolarHBondContact CG-OG 3.42Å; F539-S543 WeakPolarHBondContact CZ-OG 3.35Å; F539-S543 VanDerWaalsContact O-CB 3.3Å; F539-S543 WeakPolarHBondContact O-CB 3.28Å; F539-S543 PolarHBondContact O-N 3.38Å; F539-S543 VanDerWaalsContact O-N 3.17Å; F539-S543 PolarHBondContact O-OG 3.49Å; S543-R545 VanDerWaalsContact C-N 3.29Å |
| 544 | R | 35.2 | Very low | 30.2 | Very low | 98 Ų | 98 | 104.1 Ų | 104.1 | 37% | 0.37 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.5 | 164 | -77.7 | -178.6 | 156.3 | -148.5 | -24.6 | 113.9 | S542 E953 | S542-R544 PolarHBondContact O-N 2.77Å; R544-E953 IonicContact CZ-OE1 2.68Å; R544-E953 IonicContact CZ-OE2 3.22Å; R544-E953 IonicContact NE-OE2 2.75Å; R544-E953 IonicContact NH1-OE1 3.66Å; R544-E953 PolarHBondContact NH1-OE1 3.33Å; R544-E953 IonicContact NH1-OE2 2.62Å; R544-E953 PolarHBondContact NH1-OE2 3.41Å; R544-E953 IonicContact NH2-OE1 3.58Å; R544-E953 PolarHBondContact NH2-OE1 2.9Å; R544-E953 IonicContact NH2-OE2 3.36Å; R544-E953 PolarHBondContact NH2-OE2 3.35Å |
| 545 | R | 30.1 | Very low | 30 | Very low | 135 Ų | 135 | 107.1 Ų | 107.1 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -111.1 | -26.7 | -171.5 | -74.8 | 179.3 | 168.6 | 167.4 | -6.6 | 116.3 | S542 S543 T950 A951 | S542-R545 PolarHBondContact O-N 2.78Å; S543-R545 VanDerWaalsContact C-N 3.29Å; R545-T950 PolarHBondContact NH2-O 3.43Å; R545-A951 PolarHBondContact NH2-O 2.86Å |
| 546 | S | 31.5 | Very low | 30 | Very low | 76 Ų | 76 | 111.8 Ų | 111.8 | 53% | 0.531 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -85.2 | -53.4 | -179 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | K548 R549 | S546-K548 PolarHBondContact O-N 2.8Å; S546-R549 PolarHBondContact O-N 2.7Å |
| 547 | L | 30.2 | Very low | 30 | Very low | 125 Ų | 125 | 110.9 Ų | 110.9 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -0.3 | 178 | -96.4 | 164.1 | 0 | 0 | 0 | 114.7 | ||
| 548 | K | 33.2 | Very low | 30.1 | Very low | 176 Ų | 176 | 110 Ų | 110 | 77% | 0.765 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -5 | 170 | -117.7 | -170.8 | 174.9 | -164.8 | 0 | 113.7 | S546 | S546-K548 PolarHBondContact O-N 2.8Š|
| 549 | R | 25.4 | Very low | 30.1 | Very low | 177 Ų | 177 | 110.4 Ų | 110.4 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -25.6 | -179 | -99.4 | 179.1 | 169.3 | 166.3 | -2.4 | 113.9 | S546 L551 S552 | S546-R549 PolarHBondContact O-N 2.7Å; R549-L551 VanDerWaalsContact C-N 3.28Å; R549-L551 PolarHBondContact O-N 3.11Å; R549-S552 PolarHBondContact O-OG 3.23Å |
| 550 | S | 29.8 | Very low | 30.1 | Very low | 87 Ų | 87 | 109 Ų | 109 | 61% | 0.608 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -1.6 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 551 | L | 29 | Very low | 30 | Very low | 146 Ų | 146 | 110.6 Ų | 110.6 | 76% | 0.764 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 58.7 | 170.5 | -72.3 | 174.4 | 0 | 0 | 0 | 109.9 | R549 | R549-L551 VanDerWaalsContact C-N 3.28Å; R549-L551 PolarHBondContact O-N 3.11Å |
| 552 | S | 25.6 | Very low | 30.1 | Very low | 88 Ų | 88 | 112.4 Ų | 112.4 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | trans | -117 | 51.2 | 174.5 | 55 | 0 | 0 | 0 | 0 | 111.3 | R549 S554 | R549-S552 PolarHBondContact O-OG 3.23Å; S552-S554 PolarHBondContact O-N 3.24Å | ||
| 553 | M | 28.2 | Very low | 30.1 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 79% | 0.788 | 60% | 0.603 | S | S | * | * | trans | -89.1 | 97.8 | 170.9 | -149.6 | 174.3 | -169.5 | 0 | 0 | 109.5 | F555 | M553-F555 HydrophobicContact CE-CE2 4Å; M553-F555 HydrophobicContact CE-CZ 4.22Å; M553-F555 HydrophobicContact CG-CD2 4.31Å; M553-F555 HydrophobicContact CG-CE2 3.77Å; M553-F555 HydrophobicContact SD-CE2 3.87Å | ||
| 554 | S | 26.2 | Very low | 30.4 | Very low | 111 Ų | 111 | 116.7 Ų | 116.7 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | trans | -69.7 | 124.1 | 178.8 | 13.2 | 0 | 0 | 0 | 0 | 111.1 | S552 | S552-S554 PolarHBondContact O-N 3.24Š| ||
| 555 | F | 29.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 116.7 Ų | 116.7 | 68% | 0.684 | 63% | 0.628 | S | S | * | * | trans | -133.8 | 138.5 | 165.8 | -81.2 | -75.4 | 0 | 0 | 0 | 110.7 | M553 | M553-F555 HydrophobicContact CE-CE2 4Å; M553-F555 HydrophobicContact CE-CZ 4.22Å; M553-F555 HydrophobicContact CG-CD2 4.31Å; M553-F555 HydrophobicContact CG-CE2 3.77Å; M553-F555 HydrophobicContact SD-CE2 3.87Å | ||
| 556 | P | 29.9 | Very low | 30.7 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 84% | 0.838 | 64% | 0.639 | S | S | * | * | trans | -75.6 | 146.9 | -172.6 | 30.9 | -35.3 | 0 | 0 | 0 | 112 | ||||
| 557 | V | 31.4 | Very low | 30.8 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | trans | -109 | 123.6 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 558 | H | 31.6 | Very low | 31 | Very low | 90 Ų | 90 | 116.9 Ų | 116.9 | 42% | 0.417 | 63% | 0.631 | S | S | . | * | trans | -174.3 | 143.9 | 140 | -104.6 | 50.1 | 0 | 0 | 0 | 110 | F934 S935 | H558-F934 AromaticContact CD2-CD1 3.74Å; H558-F934 AromaticContact CD2-CE1 3.77Å; H558-F934 VanDerWaalsContact CE1-C 3.5Å; H558-F934 AromaticContact NE2-CD1 3.05Å; H558-F934 WeakPolarHBondContact NE2-CD1 3.35Å; H558-F934 AromaticContact NE2-CE1 3.51Å; H558-F934 AromaticContact NE2-CG 3.72Å; H558-S935 VanDerWaalsContact CE1-CB 3.42Å; H558-S935 WeakPolarHBondContact CE1-CB 3.46Å; H558-S935 PolarHBondContact CE1-N 3.45Å; H558-S935 WeakPolarHBondContact ND1-CB 3.46Å; H558-S935 PolarHBondContact NE2-N 3Å | ||
| 559 | S | 31.3 | Very low | 31.1 | Very low | 67 Ų | 67 | 115.2 Ų | 115.2 | 47% | 0.469 | 63% | 0.628 | S | S | . | * | cis | -160.6 | 163.7 | -11.4 | 88.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 560 | K | 29.2 | Very low | 31.5 | Very low | 97 Ų | 97 | 112.3 Ų | 112.3 | 42% | 0.422 | 63% | 0.625 | S | S | . | * | trans | 56.5 | 83.6 | 160.5 | -48.6 | -94 | 177 | -152.4 | 0 | 116.5 | Y933 | K560-Y933 VanDerWaalsContact CA-OH 3.28Å; K560-Y933 WeakPolarHBondContact CA-OH 3.33Å; K560-Y933 HydrophobicContact CD-CD1 4.37Å; K560-Y933 HydrophobicContact CD-CE1 3.53Å; K560-Y933 HydrophobicContact CD-CE2 4.14Å; K560-Y933 VanDerWaalsContact CD-CZ 3.46Å; K560-Y933 WeakPolarHBondContact CD-OH 3.38Å; K560-Y933 HydrophobicContact CG-CE1 3.68Å; K560-Y933 PolarHBondContact N-OH 2.7Å; K560-Y933 VanDerWaalsContact NZ-CD2 3.34Å; K560-Y933 VanDerWaalsContact NZ-CE2 3.29Å | ||
| 561 | N | 29.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 114.8 Ų | 114.8 | 80% | 0.802 | 63% | 0.625 | S | S | * | * | 178 | 156.9 | 117.4 | -90.6 | -20.4 | 0 | 0 | 0 | 114.6 | |||||
| 562 | T | 33.1 | Very low | 32.2 | Very low | 97 Ų | 97 | 113.8 Ų | 113.8 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | trans | 71.4 | 150.6 | 158.2 | -50.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 563 | T | 30.5 | Very low | 32.7 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 67% | 0.669 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -67 | -162.9 | 179.6 | 2.7 | 0 | 0 | 0 | 0 | 114.7 | N565 | T563-N565 VanDerWaalsContact C-N 3.33Å; T563-N565 PolarHBondContact O-N 3.18Å; T563-N565 PolarHBondContact O-ND2 3.27Å |
| 564 | T | 38.6 | Very low | 33.1 | Very low | 85 Ų | 85 | 110.8 Ų | 110.8 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | trans | 70.6 | -8.8 | 156.6 | 5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 565 | N | 36.4 | Very low | 33.7 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -86.7 | -21.3 | -172.1 | -78 | -54.7 | 0 | 0 | 0 | 118.2 | T563 F567 L568 M569 | T563-N565 VanDerWaalsContact C-N 3.33Å; T563-N565 PolarHBondContact O-N 3.18Å; T563-N565 PolarHBondContact O-ND2 3.27Å; N565-F567 VanDerWaalsContact C-N 3.33Å; N565-F567 PolarHBondContact O-N 2.95Å; N565-L568 PolarHBondContact O-N 2.87Å; N565-M569 PolarHBondContact O-N 3.26Å |
| 566 | V | 35 | Very low | 33.9 | Very low | 123 Ų | 123 | 103.2 Ų | 103.2 | 75% | 0.745 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -33.8 | -176.6 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 567 | F | 31.9 | Very low | 34.2 | Very low | 122 Ų | 122 | 99 Ų | 99 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -73 | -29.7 | 177.5 | -164.3 | -111 | 0 | 0 | 0 | 112.1 | N565 K571 I1185 V1189 | N565-F567 VanDerWaalsContact C-N 3.33Å; N565-F567 PolarHBondContact O-N 2.95Å; F567-K571 VanDerWaalsContact O-CB 3.29Å; F567-K571 WeakPolarHBondContact O-CB 3.38Å; F567-K571 PolarHBondContact O-N 3.41Å; F567-I1185 HydrophobicContact CD2-CG2 4.34Å; F567-I1185 HydrophobicContact CE2-CG2 3.71Å; F567-V1189 HydrophobicContact CE2-CG2 4.24Å; F567-V1189 HydrophobicContact CZ-CG2 3.85Å |
| 568 | L | 35.9 | Very low | 34.3 | Very low | 95 Ų | 95 | 99.2 Ų | 99.2 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.4 | -35.9 | 176.9 | -78.3 | 167.7 | 0 | 0 | 0 | 112.8 | N565 K571 K572 | N565-L568 PolarHBondContact O-N 2.87Å; L568-K571 HydrophobicContact CD2-CD 4.47Å; L568-K571 PolarHBondContact O-N 3.39Å; L568-K572 VanDerWaalsContact O-CB 3.32Å; L568-K572 WeakPolarHBondContact O-CB 3.47Å; L568-K572 PolarHBondContact O-N 2.83Å |
| 569 | M | 34.2 | Very low | 34.6 | Very low | 141 Ų | 141 | 98 Ų | 98 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.3 | -48.9 | 174 | -84.2 | -70.9 | -175.9 | 0 | 0 | 112.1 | N565 K572 S573 | N565-M569 PolarHBondContact O-N 3.26Å; M569-K572 PolarHBondContact O-N 3.19Å; M569-S573 PolarHBondContact O-N 3.3Å; M569-S573 PolarHBondContact O-OG 3.06Å |
| 570 | L | 34.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 99.6 Ų | 99.6 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 176.6 | -112.8 | 142.4 | 0 | 0 | 0 | 111.9 | K572 F574 | L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 2.84Å; L570-F574 HydrophobicContact CD2-CD2 4.4Å; L570-F574 WeakPolarHBondContact O-CB 3.4Å; L570-F574 PolarHBondContact O-N 2.73Å; L570-F574 VanDerWaalsContact O-N 3.15Å |
| 571 | K | 38.4 | Very low | 35 | Very low | 138 Ų | 138 | 99 Ų | 99 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.6 | -41.6 | 171.8 | -171.3 | 177.4 | -179.8 | -176.4 | 0 | 111.1 | F567 L568 S575 | F567-K571 VanDerWaalsContact O-CB 3.29Å; F567-K571 WeakPolarHBondContact O-CB 3.38Å; F567-K571 PolarHBondContact O-N 3.41Å; L568-K571 HydrophobicContact CD2-CD 4.47Å; L568-K571 PolarHBondContact O-N 3.39Å; K571-S575 WeakPolarHBondContact O-CA 3.49Å; K571-S575 WeakPolarHBondContact O-CB 3.28Å; K571-S575 PolarHBondContact O-N 3.47Å; K571-S575 PolarHBondContact O-OG 2.89Å; K571-S575 VanDerWaalsContact O-OG 3.04Å |
| 572 | K | 34 | Very low | 35.2 | Very low | 126 Ų | 126 | 95.9 Ų | 95.9 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.5 | -47.4 | -177.6 | -166.1 | 164.3 | -173.5 | 177.6 | 0 | 113.3 | L568 M569 L570 F574 S575 D576 | L568-K572 VanDerWaalsContact O-CB 3.32Å; L568-K572 WeakPolarHBondContact O-CB 3.47Å; L568-K572 PolarHBondContact O-N 2.83Å; M569-K572 PolarHBondContact O-N 3.19Å; L570-K572 VanDerWaalsContact C-N 3.29Å; L570-K572 PolarHBondContact O-N 2.84Å; K572-F574 VanDerWaalsContact C-N 3.28Å; K572-F574 PolarHBondContact O-N 3.26Å; K572-S575 WeakPolarHBondContact CA-OG 3.32Å; K572-S575 PolarHBondContact O-N 3.26Å; K572-S575 PolarHBondContact O-OG 3.46Å; K572-S575 VanDerWaalsContact O-OG 3.08Å; K572-D576 WeakPolarHBondContact CE-OD2 3.22Å; K572-D576 WeakPolarHBondContact CG-OD2 3.17Å; K572-D576 VanDerWaalsContact O-CB 3.29Å; K572-D576 WeakPolarHBondContact O-CB 3.32Å; K572-D576 PolarHBondContact O-N 3.36Å |
| 573 | S | 37.6 | Very low | 35.3 | Very low | 81 Ų | 81 | 96.2 Ų | 96.2 | 57% | 0.566 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -28.3 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | M569 G577 | M569-S573 PolarHBondContact O-N 3.3Å; M569-S573 PolarHBondContact O-OG 3.06Å; S573-G577 PolarHBondContact O-N 3.44Å |
| 574 | F | 34.8 | Very low | 35.6 | Very low | 104 Ų | 104 | 96.6 Ų | 96.6 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -83.4 | -35.3 | 170.9 | -104.1 | -91.1 | 0 | 0 | 0 | 113.3 | L570 K572 L578 F1451 | L570-F574 HydrophobicContact CD2-CD2 4.4Å; L570-F574 WeakPolarHBondContact O-CB 3.4Å; L570-F574 PolarHBondContact O-N 2.73Å; L570-F574 VanDerWaalsContact O-N 3.15Å; K572-F574 VanDerWaalsContact C-N 3.28Å; K572-F574 PolarHBondContact O-N 3.26Å; F574-L578 HydrophobicContact CD1-CD1 4.19Å; F574-L578 WeakPolarHBondContact O-CB 3.04Å; F574-L578 PolarHBondContact O-N 3.17Å; F574-F1451 AromaticContact CE1-CE1 3.96Å; F574-F1451 HydrophobicContact CE1-CE1 3.96Å; F574-F1451 AromaticContact CE1-CZ 3.75Å; F574-F1451 HydrophobicContact CE1-CZ 3.75Å; F574-F1451 HydrophobicContact CZ-CE1 4.45Å; F574-F1451 HydrophobicContact CZ-CZ 4.06Å |
| 575 | S | 39.9 | Very low | 35.3 | Very low | 37 Ų | 37 | 99.9 Ų | 99.9 | 26% | 0.259 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 174.3 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | K571 K572 G577 L578 L579 | K571-S575 WeakPolarHBondContact O-CA 3.49Å; K571-S575 WeakPolarHBondContact O-CB 3.28Å; K571-S575 PolarHBondContact O-N 3.47Å; K571-S575 PolarHBondContact O-OG 2.89Å; K571-S575 VanDerWaalsContact O-OG 3.04Å; K572-S575 WeakPolarHBondContact CA-OG 3.32Å; K572-S575 PolarHBondContact O-N 3.26Å; K572-S575 PolarHBondContact O-OG 3.46Å; K572-S575 VanDerWaalsContact O-OG 3.08Å; S575-G577 VanDerWaalsContact C-N 3.29Å; S575-G577 PolarHBondContact O-N 3.45Å; S575-L578 PolarHBondContact O-N 2.95Å; S575-L579 WeakPolarHBondContact O-CA 3.18Å; S575-L579 VanDerWaalsContact O-CB 3.26Å; S575-L579 WeakPolarHBondContact O-CB 3.26Å; S575-L579 WeakPolarHBondContact O-CD1 3.1Å; S575-L579 PolarHBondContact O-N 2.91Å |
| 576 | D | 33.9 | Very low | 35.1 | Very low | 70 Ų | 70 | 103 Ų | 103 | 37% | 0.374 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -75.4 | -26.9 | -171.6 | -57.9 | 4.5 | 0 | 0 | 0 | 110.1 | K572 N580 | K572-D576 WeakPolarHBondContact CE-OD2 3.22Å; K572-D576 WeakPolarHBondContact CG-OD2 3.17Å; K572-D576 VanDerWaalsContact O-CB 3.29Å; K572-D576 WeakPolarHBondContact O-CB 3.32Å; K572-D576 PolarHBondContact O-N 3.36Å; D576-N580 WeakPolarHBondContact O-CB 3.17Å; D576-N580 PolarHBondContact O-N 3.17Å; D576-N580 VanDerWaalsContact O-N 3.11Å; D576-N580 PolarHBondContact O-ND2 2.66Å |
| 577 | G | 36.1 | Very low | 34.9 | Very low | 41 Ų | 41 | 102 Ų | 102 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.2 | -47.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | S573 S575 C581 | S573-G577 PolarHBondContact O-N 3.44Å; S575-G577 VanDerWaalsContact C-N 3.29Å; S575-G577 PolarHBondContact O-N 3.45Å; G577-C581 PolarHBondContact O-N 2.92Å |
| 578 | L | 34 | Very low | 34.8 | Very low | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.6 | -39.7 | 179.6 | -86.5 | 165 | 0 | 0 | 0 | 112.8 | F574 S575 C581 L582 | F574-L578 HydrophobicContact CD1-CD1 4.19Å; F574-L578 WeakPolarHBondContact O-CB 3.04Å; F574-L578 PolarHBondContact O-N 3.17Å; S575-L578 PolarHBondContact O-N 2.95Å; L578-C581 PolarHBondContact O-N 3.45Å; L578-L582 VanDerWaalsContact O-CB 3.32Å; L578-L582 WeakPolarHBondContact O-CB 3.45Å; L578-L582 WeakPolarHBondContact O-CD1 3.47Å; L578-L582 WeakPolarHBondContact O-CG 3.29Å; L578-L582 PolarHBondContact O-N 3.3Å |
| 579 | L | 37.9 | Very low | 34.5 | Very low | 64 Ų | 64 | 102 Ų | 102 | 34% | 0.335 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 172.9 | -86.5 | 87.2 | 0 | 0 | 0 | 110.9 | S575 C581 L582 M583 | S575-L579 WeakPolarHBondContact O-CA 3.18Å; S575-L579 VanDerWaalsContact O-CB 3.26Å; S575-L579 WeakPolarHBondContact O-CB 3.26Å; S575-L579 WeakPolarHBondContact O-CD1 3.1Å; S575-L579 PolarHBondContact O-N 2.91Å; L579-C581 VanDerWaalsContact C-N 3.26Å; L579-C581 PolarHBondContact O-N 3.17Å; L579-L582 PolarHBondContact O-N 3.27Å; L579-M583 HydrophobicContact CB-CG 4.18Å; L579-M583 WeakPolarHBondContact O-CA 3.22Å; L579-M583 WeakPolarHBondContact O-CB 3.32Å; L579-M583 WeakPolarHBondContact O-CG 3.37Å; L579-M583 PolarHBondContact O-N 3.25Å |
| 580 | N | 35.1 | Very low | 34 | Very low | 100 Ų | 100 | 100.7 Ų | 100.7 | 54% | 0.535 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66 | -29.6 | 176.1 | -72.1 | -13.4 | 0 | 0 | 0 | 112.3 | D576 N584 | D576-N580 WeakPolarHBondContact O-CB 3.17Å; D576-N580 PolarHBondContact O-N 3.17Å; D576-N580 VanDerWaalsContact O-N 3.11Å; D576-N580 PolarHBondContact O-ND2 2.66Å; N580-N584 WeakPolarHBondContact O-CB 3.22Å; N580-N584 PolarHBondContact O-N 3.13Å; N580-N584 PolarHBondContact O-ND2 2.73Å; N580-N584 VanDerWaalsContact O-ND2 3.12Å |
| 581 | C | 32.2 | Very low | 33.6 | Very low | 85 Ų | 85 | 106.8 Ų | 106.8 | 57% | 0.574 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.4 | -43.7 | 168.3 | -78.6 | 0 | 0 | 0 | 0 | 113.3 | G577 L578 L579 F585 | G577-C581 PolarHBondContact O-N 2.92Å; L578-C581 PolarHBondContact O-N 3.45Å; L579-C581 VanDerWaalsContact C-N 3.26Å; L579-C581 PolarHBondContact O-N 3.17Å; C581-F585 WeakPolarHBondContact O-CD2 3.5Å; C581-F585 PolarHBondContact O-N 2.92Å |
| 582 | L | 34.7 | Very low | 32.9 | Very low | 84 Ų | 84 | 108.6 Ų | 108.6 | 44% | 0.44 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.8 | -43.9 | -176.7 | -72.1 | 164.6 | 0 | 0 | 0 | 112.4 | L578 L579 F585 H586 W1444 | L578-L582 VanDerWaalsContact O-CB 3.32Å; L578-L582 WeakPolarHBondContact O-CB 3.45Å; L578-L582 WeakPolarHBondContact O-CD1 3.47Å; L578-L582 WeakPolarHBondContact O-CG 3.29Å; L578-L582 PolarHBondContact O-N 3.3Å; L579-L582 PolarHBondContact O-N 3.27Å; L582-F585 PolarHBondContact O-N 3.21Å; L582-H586 WeakPolarHBondContact O-CB 3.47Å; L582-H586 PolarHBondContact O-N 2.94Å; L582-W1444 HydrophobicContact CD2-CH2 3.93Å; L582-W1444 HydrophobicContact CD2-CZ3 4.16Å |
| 583 | M | 36 | Very low | 32.6 | Very low | 105 Ų | 105 | 112.5 Ų | 112.5 | 52% | 0.517 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -72.8 | -35.4 | -178.6 | -57.1 | -67.9 | -83.1 | 0 | 0 | 111.6 | L579 F585 H586 S587 | L579-M583 HydrophobicContact CB-CG 4.18Å; L579-M583 WeakPolarHBondContact O-CA 3.22Å; L579-M583 WeakPolarHBondContact O-CB 3.32Å; L579-M583 WeakPolarHBondContact O-CG 3.37Å; L579-M583 PolarHBondContact O-N 3.25Å; M583-F585 VanDerWaalsContact C-N 3.29Å; M583-F585 PolarHBondContact O-N 3.04Å; M583-H586 PolarHBondContact O-N 2.72Å; M583-H586 VanDerWaalsContact O-N 3.16Å; M583-S587 PolarHBondContact O-N 3.29Å |
| 584 | N | 36.3 | Very low | 32.2 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.6 | -24 | 173.1 | -69.7 | -11.4 | 0 | 0 | 0 | 112.7 | N580 | N580-N584 WeakPolarHBondContact O-CB 3.22Å; N580-N584 PolarHBondContact O-N 3.13Å; N580-N584 PolarHBondContact O-ND2 2.73Å; N580-N584 VanDerWaalsContact O-ND2 3.12Å |
| 585 | F | 31.6 | Very low | 31.8 | Very low | 153 Ų | 153 | 114.8 Ų | 114.8 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.8 | -28.8 | 167.8 | -98.6 | -93.7 | 0 | 0 | 0 | 112.9 | C581 L582 M583 S587 | C581-F585 WeakPolarHBondContact O-CD2 3.5Å; C581-F585 PolarHBondContact O-N 2.92Å; L582-F585 PolarHBondContact O-N 3.21Å; M583-F585 VanDerWaalsContact C-N 3.29Å; M583-F585 PolarHBondContact O-N 3.04Å; F585-S587 VanDerWaalsContact C-N 3.28Å; F585-S587 PolarHBondContact O-N 3.22Å |
| 586 | H | 33 | Very low | 31.4 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -4.1 | -179.7 | -153.8 | -60.4 | 0 | 0 | 0 | 113.9 | L582 M583 | L582-H586 WeakPolarHBondContact O-CB 3.47Å; L582-H586 PolarHBondContact O-N 2.94Å; M583-H586 PolarHBondContact O-N 2.72Å; M583-H586 VanDerWaalsContact O-N 3.16Å |
| 587 | S | 29.8 | Very low | 31.2 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 4.1 | -178.6 | -166.5 | 0 | 0 | 0 | 0 | 114.7 | M583 F585 | M583-S587 PolarHBondContact O-N 3.29Å; F585-S587 VanDerWaalsContact C-N 3.28Å; F585-S587 PolarHBondContact O-N 3.22Å |
| 588 | S | 30.4 | Very low | 31 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -123.6 | 23.9 | -174.7 | 72 | 0 | 0 | 0 | 0 | 114.3 | ||
| 589 | Q | 29.5 | Very low | 30.8 | Very low | 127 Ų | 127 | 135 Ų | 135 | 59% | 0.593 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -115.8 | 7.1 | -178.6 | -138.1 | 176.6 | 25.2 | 0 | 0 | 113.9 | M1435 | Q589-M1435 HydrophobicContact CG-CE 3.69Å; Q589-M1435 HydrophobicContact CG-SD 4.36Å; Q589-M1435 PolarHBondContact NE2-SD 3.48Å |
| 590 | C | 24.5 | Very low | 30.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 76% | 0.764 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -134.7 | 150.1 | 170.1 | -61.9 | 0 | 0 | 0 | 0 | 109.5 | ||
| 591 | R | 25.4 | Very low | 30.1 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 65.6 | -177.1 | -49.3 | -176.7 | -173.5 | -164.8 | 1.5 | 115.9 | ||||
| 592 | L | 24.8 | Very low | 30 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 92% | 0.916 | 75% | 0.751 | S | S | * | * | trans | -143.8 | 48.2 | 148.2 | -150.3 | 93.8 | 0 | 0 | 0 | 112.9 | ||||
| 593 | F | 27.3 | Very low | 29.7 | Very low | 209 Ų | 209 | 145.7 Ų | 145.7 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | trans | -106.8 | 120.5 | 151.1 | -99.9 | -88.4 | 0 | 0 | 0 | 106.6 | ||||
| 594 | G | 29.3 | Very low | 29.7 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -84 | 146.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 595 | N | 26.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -83.6 | 117.3 | 167 | -64.9 | -13.7 | 0 | 0 | 0 | 108.1 | ||||
| 596 | E | 32.3 | Very low | 29.2 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -143.7 | 158.4 | 154 | -96.8 | -51.2 | 153.8 | 0 | 0 | 109.9 | ||||
| 597 | L | 27.9 | Very low | 29.2 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 161.5 | -153.9 | -104.6 | 60.4 | 0 | 0 | 0 | 117.1 | ||||
| 598 | P | 32.5 | Very low | 29.1 | Very low | 106 Ų | 106 | 153.7 Ų | 153.7 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | trans | -109.9 | 154.9 | -163.7 | 40.4 | -34.1 | 0 | 0 | 0 | 116.8 | ||||
| 599 | Y | 30.6 | Very low | 29.2 | Very low | 233 Ų | 233 | 158.7 Ų | 158.7 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -148.6 | 145.2 | 163.7 | -70.3 | -81.9 | 0 | 0 | 0 | 110 | ||||
| 600 | A | 31.7 | Very low | 29.2 | Very low | 86 Ų | 86 | 158.9 Ų | 158.9 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | -154.9 | 109.8 | -16.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 601 | L | 25.2 | Very low | 29.5 | Very low | 163 Ų | 163 | 161.9 Ų | 161.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 33.7 | 105.6 | 139.3 | -166.3 | 134 | 0 | 0 | 0 | 119.9 | ||||
| 602 | K | 30.8 | Very low | 29.7 | Very low | 206 Ų | 206 | 157.5 Ų | 157.5 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -156.5 | 140.3 | 131.4 | -125 | 170.9 | -174.7 | 174.4 | 0 | 114 | ||||
| 603 | S | 28.1 | Very low | 29.8 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -111.4 | -167 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 604 | P | 37.1 | Very low | 30 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -142.3 | 176 | 2.5 | 45 | -27.4 | 0 | 0 | 0 | 117.5 | ||||
| 605 | F | 25.1 | Very low | 30 | Very low | 206 Ų | 206 | 156 Ų | 156 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | -64.8 | 152.4 | 149.3 | -118 | -102.4 | 0 | 0 | 0 | 110.2 | ||||
| 606 | Q | 31.3 | Very low | 30.2 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -138.1 | 150.2 | 173.9 | -154.1 | 178.3 | 21.1 | 0 | 0 | 113 | ||||
| 607 | Q | 32.6 | Very low | 30 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 76.7 | 131.3 | -175 | -60.7 | -148.4 | 26.2 | 0 | 0 | 115.6 | ||||
| 608 | K | 28.5 | Very low | 30.2 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | cis | -158.2 | 153.6 | -8.1 | -135 | -173.7 | -179.3 | 176.1 | 0 | 112.7 | ||||
| 609 | R | 31.5 | Very low | 30 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 82.9 | 104.1 | 154.4 | -70.1 | -169.9 | -73.7 | -172.1 | -2.7 | 120.4 | ||||
| 610 | D | 31.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | 97.4 | 121.8 | 109 | -61.7 | -10 | 0 | 0 | 0 | 121.7 | |||||
| 611 | F | 30 | Very low | 29.8 | Very low | 176 Ų | 176 | 153.4 Ų | 153.4 | 77% | 0.772 | 76% | 0.762 | S | S | * | * | trans | 78.2 | 74.5 | 149.4 | -83.5 | -99.7 | 0 | 0 | 0 | 122.7 | ||||
| 612 | Q | 28.5 | Very low | 29.8 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | 64 | 132.6 | 101.7 | -171 | 176.8 | 10.1 | 0 | 0 | 121.8 | |||||
| 613 | S | 28.6 | Very low | 29.5 | Very low | 100 Ų | 100 | 151.1 Ų | 151.1 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | 72 | 149.7 | 160.6 | 72.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 614 | N | 30.7 | Very low | 29.6 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -143.6 | 149.8 | -3.6 | -119.5 | -3.8 | 0 | 0 | 0 | 109.3 | ||||
| 615 | Y | 28.9 | Very low | 29.5 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | 44.9 | 131.2 | 97.9 | -78.8 | -129 | 0 | 0 | 0 | 114 | |||||
| 616 | N | 30.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 60% | 0.599 | 75% | 0.753 | S | S | * | * | cis | -162.2 | 172 | 11.4 | -134.4 | 2.8 | 0 | 0 | 0 | 114.1 | ||||
| 617 | N | 28.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 152.4 Ų | 152.4 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | 10.7 | 132.7 | 148.9 | -56.8 | -17.3 | 0 | 0 | 0 | 119.9 | ||||
| 618 | T | 33.1 | Very low | 29.1 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | -169.8 | 148.5 | 93.9 | 21.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 619 | N | 26.5 | Very low | 29.2 | Very low | 145 Ų | 145 | 150.2 Ų | 150.2 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -84.7 | -172 | 161.3 | -75.1 | -28.9 | 0 | 0 | 0 | 109.7 | ||||
| 620 | D | 27.9 | Very low | 29 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 72.8 | 73.3 | 155.8 | -52.3 | -42.8 | 0 | 0 | 0 | 118.3 | ||||
| 621 | Q | 30.3 | Very low | 28.7 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -150.9 | 122.2 | 130.9 | -108.2 | 162.1 | 45.4 | 0 | 0 | 108.9 | ||||
| 622 | A | 26.3 | Very low | 28.7 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 69% | 0.694 | 76% | 0.759 | S | S | * | * | cis | 78.5 | 73.8 | 30.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E624 | A622-E624 PolarHBondContact O-N 3.06Š| ||
| 623 | R | 24.8 | Very low | 28.5 | Very low | 238 Ų | 238 | 149.2 Ų | 149.2 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | 69.5 | 41.4 | 128.6 | -150.4 | -176.4 | -169.8 | 171.4 | 3.6 | 118.6 | |||||
| 624 | E | 29.1 | Very low | 28.4 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | -120.5 | 146.3 | 154.9 | -75.8 | -66.1 | 167.1 | 0 | 0 | 108.4 | A622 | A622-E624 PolarHBondContact O-N 3.06Š| ||
| 625 | V | 34.7 | Very low | 28.1 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | -119.8 | 132.2 | 0.3 | 177 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 626 | L | 25.4 | Very low | 28 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -112.2 | 143.9 | 172.3 | -152.6 | 169.6 | 0 | 0 | 0 | 108.4 | ||||
| 627 | K | 25.7 | Very low | 27.7 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | 99.6 | 118 | 175.8 | -52.7 | 149.6 | -171.3 | 165.6 | 0 | 114.7 | ||||
| 628 | L | 30.5 | Very low | 27.5 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | -164.1 | 139.7 | 113.7 | -105.1 | 163.2 | 0 | 0 | 0 | 109.9 | |||||
| 629 | C | 29.5 | Very low | 27.1 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | trans | 45.8 | 99 | 171.3 | -56.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 630 | S | 27.4 | Very low | 27 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | 59.4 | 115.3 | 36.1 | -161.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 631 | N | 25.9 | Very low | 26.9 | Very low | 100 Ų | 100 | 149 Ų | 149 | 54% | 0.535 | 75% | 0.747 | S | S | . | * | trans | 47.2 | 86.2 | 148.5 | -69.9 | -81.2 | 0 | 0 | 0 | 120.8 | R633 | N631-R633 VanDerWaalsContact OD1-CZ 3.29Å; N631-R633 PolarHBondContact OD1-NE 3.17Å; N631-R633 PolarHBondContact OD1-NH2 2.92Å | ||
| 632 | R | 29.8 | Very low | 26.6 | Very low | 253 Ų | 253 | 144.2 Ų | 144.2 | 96% | 0.955 | 74% | 0.735 | S | S | * | * | -145.3 | 103.1 | 129.1 | -77.3 | -167.1 | -179.7 | -171.4 | 0.2 | 107.1 | |||||
| 633 | R | 25.3 | Very low | 26.6 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | 62.9 | 114.9 | 26 | -154.5 | -158.5 | -70.2 | -157.6 | -1.5 | 113.6 | N631 | N631-R633 VanDerWaalsContact OD1-CZ 3.29Å; N631-R633 PolarHBondContact OD1-NE 3.17Å; N631-R633 PolarHBondContact OD1-NH2 2.92Å | ||
| 634 | N | 25.2 | Very low | 26.9 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 74.8 | 132.3 | 158.6 | -75.7 | -5.4 | 0 | 0 | 0 | 120.9 | ||||
| 635 | R | 25.3 | Very low | 26.8 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | 90.8 | 137.6 | 129.6 | -89.9 | 179.2 | -174.9 | -160.6 | 1.4 | 119.6 | |||||
| 636 | L | 25.6 | Very low | 26.7 | Very low | 152 Ų | 152 | 148.9 Ų | 148.9 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | trans | 65.1 | 134.1 | 152.5 | -60.5 | 160.5 | 0 | 0 | 0 | 115.6 | ||||
| 637 | S | 25.1 | Very low | 26.9 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | cis | -166.7 | -174.5 | -11 | 43.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 638 | S | 23.6 | Very low | 27.1 | Very low | 92 Ų | 92 | 145 Ų | 145 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | -14.5 | 154.3 | 148.1 | 57.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 639 | E | 25.2 | Very low | 27.1 | Very low | 165 Ų | 165 | 142 Ų | 142 | 77% | 0.771 | 72% | 0.716 | S | S | * | * | trans | 77.4 | 152 | 162.7 | -49.6 | -149.5 | 109.6 | 0 | 0 | 115.9 | ||||
| 640 | N | 23.8 | Very low | 27.2 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | cis | -166.1 | -172.4 | -30.1 | -106.3 | -33.7 | 0 | 0 | 0 | 107.1 | ||||
| 641 | I | 26.7 | Very low | 27.4 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | trans | 65.4 | 97.9 | 150.9 | -70.9 | 147.3 | 0 | 0 | 0 | 115.5 | Y643 | I641-Y643 HydrophobicContact CG2-CD2 3.95Å; I641-Y643 HydrophobicContact CG2-CE2 3.46Å; I641-Y643 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 642 | S | 23.9 | Very low | 27.8 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | 88.4 | 166.8 | 64.2 | -171.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 643 | Y | 26.8 | Very low | 28 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | trans | 74 | 140.4 | 178.5 | -42.9 | -53.1 | 0 | 0 | 0 | 114.1 | I641 | I641-Y643 HydrophobicContact CG2-CD2 3.95Å; I641-Y643 HydrophobicContact CG2-CE2 3.46Å; I641-Y643 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 644 | R | 29.9 | Very low | 28.4 | Very low | 226 Ų | 226 | 130 Ų | 130 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | cis | -152.8 | 159.5 | 4.5 | -101.5 | 138.7 | -163.3 | -174.3 | 6 | 106.5 | ||||
| 645 | K | 28.4 | Very low | 28.9 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | cis | -164.7 | 178.1 | -5.7 | -172.2 | -171 | 174.6 | -174.1 | 0 | 106.3 | ||||
| 646 | I | 31.2 | Very low | 29.3 | Very low | 138 Ų | 138 | 122 Ų | 122 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | 75.9 | 86.5 | 163.3 | -48.3 | 176 | 0 | 0 | 0 | 114.4 | ||||
| 647 | S | 29.7 | Very low | 29.6 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | 71 | 133.9 | 65.9 | 78.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 648 | L | 30 | Very low | 29.9 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 78% | 0.78 | 71% | 0.707 | S | S | * | * | cis | -142.6 | 137.3 | 21.4 | -90.3 | 102.8 | 0 | 0 | 0 | 110.2 | ||||
| 649 | S | 30.5 | Very low | 30.3 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 68% | 0.678 | 71% | 0.705 | S | S | * | * | 78.7 | 142.9 | 81.1 | 94.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 650 | S | 31.6 | Very low | 30.6 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | cis | 179.8 | -176.9 | -31.3 | 40.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 651 | H | 32.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 122.5 Ų | 122.5 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | trans | 81.4 | 125.5 | 171.8 | -48.8 | -68.9 | 0 | 0 | 0 | 116.9 | ||||
| 652 | S | 33.9 | Very low | 31 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | cis | 81.8 | 152.1 | 19.9 | 102.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 653 | S | 33.9 | Very low | 31.2 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | cis | -169.7 | 151.4 | 7 | 20.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 654 | G | 34.4 | Very low | 31.4 | Very low | 79 Ų | 79 | 124.4 Ų | 124.4 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | trans | 77.3 | 169.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 655 | A | 34.8 | Very low | 31.2 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | cis | -169.5 | 174.8 | -16 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 656 | A | 33.6 | Very low | 31.1 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | trans | 70.3 | 149.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 657 | E | 31.7 | Very low | 30.8 | Very low | 171 Ų | 171 | 116.1 Ų | 116.1 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | cis | -165.3 | 149.5 | -12.6 | -120.4 | 157.1 | -135.9 | 0 | 0 | 113.1 | ||||
| 658 | S | 31.6 | Very low | 30.7 | Very low | 107 Ų | 107 | 116.8 Ų | 116.8 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | 66.3 | 164.3 | 143.2 | 86.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 659 | S | 31.8 | Very low | 30.6 | Very low | 86 Ų | 86 | 114.6 Ų | 114.6 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | cis | -172.5 | 167.5 | -35 | 58.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 660 | T | 31.6 | Very low | 30.5 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | trans | 66.8 | 159.7 | 159.7 | 69.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 661 | N | 28.6 | Very low | 30.4 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | cis | -162.3 | 178.1 | -27.4 | -103 | -13.7 | 0 | 0 | 0 | 110.5 | ||||
| 662 | S | 30 | Very low | 30.2 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | trans | 79.6 | 93.8 | 155.4 | -162.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 663 | A | 28.3 | Very low | 30.3 | Very low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 9 | 155.3 | 116 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 664 | R | 30.2 | Very low | 30.1 | Very low | 237 Ų | 237 | 129.8 Ų | 129.8 | 89% | 0.894 | 74% | 0.735 | S | S | * | * | trans | 110.1 | 145.9 | 177 | -72.2 | -178.1 | 178.7 | 173.9 | 0.3 | 112.6 | ||||
| 665 | S | 26.1 | Very low | 29.8 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | cis | -174.5 | 139 | -19.2 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 666 | F | 26.8 | Very low | 29.5 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 89% | 0.886 | 73% | 0.734 | S | S | * | * | trans | 63.7 | 168.3 | 155.9 | -76.2 | -132.6 | 0 | 0 | 0 | 115.1 | ||||
| 667 | S | 26 | Very low | 29.3 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 59% | 0.587 | 74% | 0.737 | S | S | * | * | cis | -167.5 | 155.5 | -35.9 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 668 | S | 27.4 | Very low | 29.2 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 75.1 | 155.8 | 155.3 | 98.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 669 | V | 27.1 | Very low | 29 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | cis | -162.1 | 160.2 | -2.7 | 87.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 670 | R | 28.9 | Very low | 28.7 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | 74.2 | 115.3 | 157.4 | -77.5 | 178.1 | -79 | -139.8 | -4.3 | 121.7 | ||||
| 671 | K | 29.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 86.4 | 86 | 129.7 | -67.6 | -178.3 | 175.2 | -168.2 | 0 | 121.6 | |||||
| 672 | F | 27.5 | Very low | 28.4 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 87% | 0.868 | 76% | 0.758 | S | S | * | * | -3.8 | 164.9 | 106.2 | -79 | -70.7 | 0 | 0 | 0 | 119.1 | |||||
| 673 | P | 36.9 | Very low | 28.2 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | cis | -142.6 | 175.9 | 9.4 | 26.7 | -1.4 | 0 | 0 | 0 | 119.3 | ||||
| 674 | K | 28.7 | Very low | 28.2 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | trans | 67.3 | 146.7 | 146.4 | -77 | 168.3 | 179.8 | -167.7 | 0 | 119.5 | ||||
| 675 | G | 29.9 | Very low | 28.2 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | 169.6 | 2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 676 | N | 28.3 | Very low | 28.3 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | 35.3 | 116.4 | 163.6 | -63.9 | 7.1 | 0 | 0 | 0 | 120.9 | ||||
| 677 | G | 28.4 | Very low | 28.4 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 93.1 | 81.4 | 128.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 678 | R | 29.2 | Very low | 28.7 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -151.3 | 151.7 | 131.2 | -127.8 | 161.2 | -76.7 | -162.3 | -1 | 111.8 | ||||
| 679 | I | 27.2 | Very low | 28.8 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | trans | -80.2 | 135.4 | -170.2 | -68.3 | 162 | 0 | 0 | 0 | 110.1 | E681 | I679-E681 PolarHBondContact O-N 3.17Å; I679-E681 VanDerWaalsContact O-N 3.16Å | ||
| 680 | F | 26.1 | Very low | 29 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -74.5 | 98 | 173.9 | -84.6 | -94.2 | 0 | 0 | 0 | 111.2 | L682 | F680-L682 HydrophobicContact CB-CD1 4.47Å; F680-L682 PolarHBondContact O-N 3.17Å | ||
| 681 | E | 27.2 | Very low | 29 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 64% | 0.64 | 76% | 0.763 | S | S | * | * | trans | -78 | 108.6 | 158.6 | -72.9 | -170.7 | 87.2 | 0 | 0 | 109.6 | I679 E683 R959 | I679-E681 PolarHBondContact O-N 3.17Å; I679-E681 VanDerWaalsContact O-N 3.16Å; E681-E683 PolarHBondContact O-N 2.51Å; E681-R959 IonicContact OE1-CZ 2.94Å; E681-R959 IonicContact OE1-NH1 2.98Å; E681-R959 IonicContact OE1-NH2 3.16Å; E681-R959 PolarHBondContact OE1-NH2 3.18Å; E681-R959 IonicContact OE2-CZ 2.7Å; E681-R959 IonicContact OE2-NH2 3.25Å; E681-R959 PolarHBondContact OE2-NH2 2.96Å | ||
| 682 | L | 27.1 | Very low | 28.9 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -74.8 | 73.2 | 168.3 | -104.6 | 76 | 0 | 0 | 0 | 110.6 | F680 | F680-L682 HydrophobicContact CB-CD1 4.47Å; F680-L682 PolarHBondContact O-N 3.17Å | ||
| 683 | E | 26.5 | Very low | 29.1 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 40% | 0.402 | 76% | 0.763 | S | S | . | * | trans | -80.2 | 142 | 167.4 | -169.8 | 155.3 | -139.9 | 0 | 0 | 110.7 | E681 V685 R959 | E681-E683 PolarHBondContact O-N 2.51Å; E683-V685 PolarHBondContact O-N 3.4Å; E683-R959 IonicContact OE1-NH1 2.73Å; E683-R959 PolarHBondContact OE1-NH1 3.37Å; E683-R959 WeakPolarHBondContact OE2-CD 3.47Å; E683-R959 IonicContact OE2-CZ 2.68Å; E683-R959 VanDerWaalsContact OE2-CZ 3.29Å; E683-R959 IonicContact OE2-NE 3.6Å; E683-R959 PolarHBondContact OE2-NE 2.98Å; E683-R959 IonicContact OE2-NH1 3.79Å; E683-R959 PolarHBondContact OE2-NH1 3.2Å | ||
| 684 | S | 27.9 | Very low | 28.7 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -76.6 | 94.8 | -163.7 | 62.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 685 | V | 29 | Very low | 28.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | trans | -58.8 | 130.7 | 168.7 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | E683 | E683-V685 PolarHBondContact O-N 3.4Š| ||
| 686 | H | 29.8 | Very low | 28.9 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -172.4 | 85.2 | 147.9 | -92.6 | -46.1 | 0 | 0 | 0 | 111.9 | ||||
| 687 | D | 28.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -143.7 | 66.3 | 158.9 | -146.1 | 23.6 | 0 | 0 | 0 | 108.5 | K1374 | D687-K1374 VanDerWaalsContact CG-NZ 3.26Å; D687-K1374 IonicContact OD1-NZ 2.72Å; D687-K1374 PolarHBondContact OD1-NZ 3.24Å; D687-K1374 IonicContact OD2-NZ 2.79Å; D687-K1374 PolarHBondContact OD2-NZ 2.92Å | ||
| 688 | V | 31.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 143.4 | -178.5 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 689 | G | 30.2 | Very low | 28.8 | Very low | 77 Ų | 77 | 133 Ų | 133 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | 89.2 | 73.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 690 | A | 30.1 | Very low | 29 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -116.3 | 97.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 691 | E | 29.1 | Very low | 29.2 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 53.4 | 93.2 | 163 | -61 | 177.6 | 125.6 | 0 | 0 | 117.6 | ||||
| 692 | L | 28 | Very low | 29.4 | Very low | 163 Ų | 163 | 129.5 Ų | 129.5 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | -112.2 | 148.9 | 144 | -93.3 | 170.2 | 0 | 0 | 0 | 109.7 | ||||
| 693 | T | 30.2 | Very low | 29.8 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | trans | 49.6 | 105.3 | 159.7 | 52 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 694 | A | 29.1 | Very low | 30 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -54.8 | 154.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 695 | N | 30.4 | Very low | 30.1 | Very low | 143 Ų | 143 | 129.9 Ų | 129.9 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | trans | 69.3 | 163.3 | 154.3 | -91.8 | -30.8 | 0 | 0 | 0 | 117.8 | ||||
| 696 | P | 33.8 | Very low | 30.2 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | cis | -119.8 | 172.9 | 4.8 | 30.4 | -10.8 | 0 | 0 | 0 | 117.2 | ||||
| 697 | K | 25.9 | Very low | 30.2 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -24.2 | 148.9 | 150.2 | -52.9 | 159.3 | -176 | 172.9 | 0 | 113.2 | ||||
| 698 | C | 28.9 | Very low | 30.1 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | cis | -139.7 | 166.7 | 23 | -115.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 699 | G | 28.8 | Very low | 29.9 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | 83.5 | 128.1 | 62.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 700 | R | 31.2 | Very low | 29.7 | Very low | 239 Ų | 239 | 132.9 Ų | 132.9 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | cis | -160.3 | 169.2 | 21.3 | -146.3 | -178.2 | -177 | 152.7 | -1.7 | 111.5 | ||||
| 701 | S | 29.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -14.4 | 147.2 | 157.8 | 57.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 702 | S | 31.7 | Very low | 29.8 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | 177.3 | 166 | 54.1 | -114.6 | 0 | 0 | 0 | 0 | 108.7 | Q1015 | S702-Q1015 PolarHBondContact OG-O 3.31Š| |||
| 703 | V | 34.4 | Very low | 29.8 | Very low | 97 Ų | 97 | 134 Ų | 134 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | cis | -160.1 | -159.8 | -17.1 | 94.5 | 0 | 0 | 0 | 0 | 110.4 | V1016 | V703-V1016 HydrophobicContact CG1-CG1 4.28Å; V703-V1016 HydrophobicContact CG2-CG1 3.88Å | ||
| 704 | D | 31.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 61% | 0.61 | 71% | 0.713 | S | S | * | * | trans | -76 | 144.7 | -170.1 | -98.2 | -27.9 | 0 | 0 | 0 | 119.8 | ||||
| 705 | K | 30.3 | Very low | 29.8 | Very low | 168 Ų | 168 | 138.3 Ų | 138.3 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | trans | 40.2 | 122.3 | 135.3 | -53.4 | 171.5 | -174.6 | 81.6 | 0 | 121.7 | ||||
| 706 | H | 29.9 | Very low | 29.6 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | -162.3 | 176.2 | 110.3 | -151.7 | -107.4 | 0 | 0 | 0 | 112.6 | |||||
| 707 | L | 30.1 | Very low | 29.2 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 67% | 0.665 | 72% | 0.723 | S | S | * | * | trans | -64.2 | 169.4 | 171.5 | -68.6 | 58.9 | 0 | 0 | 0 | 111.3 | ||||
| 708 | D | 26.8 | Very low | 29.4 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | cis | -164.5 | 167.1 | 25.8 | -157.6 | 4.2 | 0 | 0 | 0 | 114.1 | ||||
| 709 | K | 26.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 68% | 0.683 | 72% | 0.722 | S | S | * | * | trans | 59.8 | 146.6 | 145.4 | -95.3 | 174.3 | -164.8 | 68.1 | 0 | 124.4 | ||||
| 710 | K | 26 | Very low | 29.2 | Very low | 170 Ų | 170 | 147 Ų | 147 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | trans | 64.8 | 95.1 | 149.6 | -70.1 | 178.9 | 174.8 | -173.2 | 0 | 119.2 | ||||
| 711 | I | 34.5 | Very low | 29.1 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 83% | 0.831 | 72% | 0.72 | S | S | * | * | -138.8 | 123 | 99.9 | -41.3 | -177.1 | 0 | 0 | 0 | 103.6 | |||||
| 712 | Y | 27.1 | Very low | 29.1 | Very low | 197 Ų | 197 | 143.8 Ų | 143.8 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | 43.5 | 136.3 | 84.9 | -79.2 | -110 | 0 | 0 | 0 | 113.1 | |||||
| 713 | S | 28.3 | Very low | 28.7 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 73% | 0.734 | S | S | * | * | cis | -168.9 | 173.6 | -4.9 | 43.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 714 | S | 28.8 | Very low | 28.3 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 95 | 147.5 | 164.4 | -147.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 715 | Y | 30.4 | Very low | 28.1 | Very low | 215 Ų | 215 | 150.2 Ų | 150.2 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | 54.5 | 70.4 | 179.2 | -67.9 | -73.7 | 0 | 0 | 0 | 118.5 | ||||
| 716 | T | 25.9 | Very low | 28 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | -119 | 103.4 | 139.9 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 717 | D | 26.3 | Very low | 28 | Very low | 147 Ų | 147 | 148.9 Ų | 148.9 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -160.2 | 150.7 | 166.7 | -98.9 | -42.4 | 0 | 0 | 0 | 108.7 | ||||
| 718 | I | 29.1 | Very low | 27.8 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 63.5 | 115.4 | 176.3 | -51.7 | 160.1 | 0 | 0 | 0 | 113.7 | ||
| 719 | F | 29.6 | Very low | 27.7 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | cis | -124.4 | 132.8 | 6.7 | -97.3 | -78.3 | 0 | 0 | 0 | 111.9 | ||||
| 720 | K | 25.2 | Very low | 27.7 | Very low | 193 Ų | 193 | 149.4 Ų | 149.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -154.7 | 141.6 | 157.8 | -167.5 | 178.5 | 179.7 | -175.6 | 0 | 107.7 | ||
| 721 | S | 28 | Very low | 27.9 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 72.9 | 82.1 | 174.8 | -48.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 722 | Q | 29.3 | Very low | 27.4 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -167.9 | 114.6 | 160.6 | -162.7 | 82.7 | 59.5 | 0 | 0 | 106.7 | ||||
| 723 | L | 24.1 | Very low | 27.5 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | cis | 69.7 | 155.7 | -4.5 | -111.8 | 177.1 | 0 | 0 | 0 | 118.1 | ||||
| 724 | I | 26.9 | Very low | 27.4 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 59% | 0.59 | 76% | 0.758 | S | S | * | * | trans | 66.7 | 100.9 | 174.1 | -59.1 | 177.1 | 0 | 0 | 0 | 115.2 | ||||
| 725 | E | 27.1 | Very low | 27.5 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 70.9 | 152.4 | 139.8 | -65.8 | 165 | 178.9 | 0 | 0 | 121.9 | ||||
| 726 | D | 27.1 | Very low | 27.3 | Very low | 130 Ų | 130 | 144 Ų | 144 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | 61.2 | 140.9 | 159 | -66 | -12 | 0 | 0 | 0 | 121.3 | ||||
| 727 | M | 30 | Very low | 27.2 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 74% | 0.739 | 74% | 0.743 | S | S | * | * | cis | -147.8 | 152.9 | -8.7 | -128.1 | -173.4 | -138.8 | 0 | 0 | 113.5 | ||||
| 728 | K | 27.5 | Very low | 27.2 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | trans | -4.7 | 126.1 | 147.5 | -78.6 | 177 | 172.6 | 175.4 | 0 | 118.3 | ||||
| 729 | S | 24.4 | Very low | 27.2 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | 49.6 | 161.5 | 127 | 69.3 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 730 | T | 25.9 | Very low | 27 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 76.2 | 124.9 | 160.5 | -47.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 731 | V | 29.7 | Very low | 27.3 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | cis | -160.7 | 179.6 | -16.8 | 92.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 732 | Q | 24.8 | Very low | 27.4 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | trans | -49 | -178.8 | 164.4 | -71.9 | -179.1 | -10 | 0 | 0 | 115.5 | ||||
| 733 | P | 29.6 | Very low | 27.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 69% | 0.688 | 74% | 0.738 | S | S | * | * | cis | -136.1 | -161.5 | -15.1 | 20.3 | 6.7 | 0 | 0 | 0 | 114.1 | ||||
| 734 | V | 26.4 | Very low | 27.2 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | trans | 91.5 | 153 | 151.3 | -161.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 735 | E | 30.4 | Very low | 27.4 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | trans | 60 | 105.3 | -176.1 | -58 | -149.9 | 144.8 | 0 | 0 | 115 | K738 | E735-K738 IonicContact OE1-NZ 2.79Å; E735-K738 PolarHBondContact OE1-NZ 3.35Å; E735-K738 IonicContact OE2-NZ 2.74Å; E735-K738 PolarHBondContact OE2-NZ 2.81Å | ||
| 736 | L | 25.4 | Very low | 27.7 | Very low | 163 Ų | 163 | 147 Ų | 147 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | cis | 61.3 | 128 | 15.7 | -155.9 | 77.9 | 0 | 0 | 0 | 115.5 | ||||
| 737 | S | 24.3 | Very low | 27.8 | Very low | 79 Ų | 79 | 147.7 Ų | 147.7 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | trans | 70 | 172.4 | -174.6 | 79.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 738 | K | 26.3 | Very low | 27.9 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 69.2 | 74.8 | 175.8 | -51.2 | 159.1 | -156.1 | 168.4 | 0 | 116.4 | E735 | E735-K738 IonicContact OE1-NZ 2.79Å; E735-K738 PolarHBondContact OE1-NZ 3.35Å; E735-K738 IonicContact OE2-NZ 2.74Å; E735-K738 PolarHBondContact OE2-NZ 2.81Å |
| 739 | E | 28.9 | Very low | 28.1 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -178.4 | -33.9 | 142.9 | -102 | -72.6 | 97.3 | 0 | 0 | 109.1 | Q741 | E739-Q741 PolarHBondContact O-N 3.36Š|
| 740 | F | 26.6 | Very low | 28.4 | Very low | 220 Ų | 220 | 149.1 Ų | 149.1 | 97% | 0.965 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -69.9 | 19.9 | 164.9 | -121.6 | -81 | 0 | 0 | 0 | 113.6 | ||
| 741 | Q | 30.5 | Very low | 28.5 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | trans | -140.7 | 48.5 | -170.9 | -161.2 | 172.6 | 0.9 | 0 | 0 | 111.1 | E739 | E739-Q741 PolarHBondContact O-N 3.36Š| ||
| 742 | K | 29.8 | Very low | 28.6 | Very low | 205 Ų | 205 | 148.9 Ų | 148.9 | 89% | 0.891 | 74% | 0.737 | S | S | * | * | trans | -113.5 | 49.7 | 157.6 | -151.8 | 168.9 | -170.8 | 174.4 | 0 | 110.4 | ||||
| 743 | L | 25.4 | Very low | 28.8 | Very low | 135 Ų | 135 | 149 Ų | 149 | 71% | 0.707 | 74% | 0.738 | S | S | * | * | trans | -111.4 | 136.5 | 174.6 | -151.3 | 171.3 | 0 | 0 | 0 | 105.9 | ||||
| 744 | N | 24.8 | Very low | 29.2 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | 72.4 | 91.5 | -170.9 | -55.5 | -21.8 | 0 | 0 | 0 | 115.7 | ||||
| 745 | E | 30 | Very low | 29.4 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -155.7 | 143.7 | 130.5 | -122 | 170.2 | -160.7 | 0 | 0 | 110 | ||||
| 746 | L | 34.5 | Very low | 29.3 | Very low | 157 Ų | 157 | 150 Ų | 150 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | 49.1 | 80.3 | 168.4 | -55.2 | 177.2 | 0 | 0 | 0 | 115.4 | ||||
| 747 | N | 28.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 153.4 Ų | 153.4 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | 66.7 | 148.6 | 58.5 | -158.8 | 20.3 | 0 | 0 | 0 | 114.5 | |||||
| 748 | E | 32.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 58% | 0.579 | 76% | 0.756 | S | S | * | * | trans | 75.2 | 107.3 | 167.2 | -61.4 | -126.4 | 111.1 | 0 | 0 | 120.4 | ||||
| 749 | K | 31.5 | Very low | 29.9 | Very low | 133 Ų | 133 | 157.7 Ų | 157.7 | 58% | 0.578 | 77% | 0.77 | S | S | * | * | 92.4 | 112.3 | 121.7 | -75.7 | 174.7 | 174.8 | 143.1 | 0 | 121.1 | |||||
| 750 | R | 30.9 | Very low | 29.8 | Very low | 200 Ų | 200 | 153.7 Ų | 153.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | 83.2 | 145.1 | 125.1 | -69.2 | -173.7 | -59 | -179.4 | 1.4 | 119.2 | |||||
| 751 | D | 28.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 150.1 Ų | 150.1 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | -174.7 | 175.2 | -21.5 | -116.8 | -7.5 | 0 | 0 | 0 | 110.4 | ||||
| 752 | V | 31.7 | Very low | 29.8 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 74.9 | 91.7 | 150.7 | 168.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 753 | Q | 29.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | 74.1 | 137.1 | 126.2 | -67 | -171.1 | -57.8 | 0 | 0 | 123.7 | |||||
| 754 | P | 37.5 | Very low | 30 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | trans | -93.9 | 178.4 | 154.2 | 41.2 | -34.1 | 0 | 0 | 0 | 111.4 | ||||
| 755 | D | 30.4 | Very low | 30.4 | Very low | 143 Ų | 143 | 153.4 Ų | 153.4 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | -153.7 | 178.4 | 143.3 | -134.8 | -37.2 | 0 | 0 | 0 | 114.4 | ||||
| 756 | N | 28.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | -91.3 | 176.9 | -159.9 | -74.1 | -91.1 | 0 | 0 | 0 | 116.2 | ||||
| 757 | Y | 31.9 | Very low | 30 | Very low | 234 Ų | 234 | 152 Ų | 152 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | trans | 136.1 | 124.1 | 153.3 | -80.8 | -71.3 | 0 | 0 | 0 | 108.3 | ||||
| 758 | G | 30.4 | Very low | 30.2 | Very low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 75% | 0.746 | S | S | * | * | cis | 101.6 | 144.4 | 48.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 759 | R | 27 | Very low | 29.9 | Very low | 227 Ų | 227 | 153.4 Ų | 153.4 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | cis | -170.9 | 161.9 | -5.1 | -168.1 | -167.2 | -161.1 | -149.9 | 6.4 | 107.2 | ||||
| 760 | S | 26.5 | Very low | 30 | Very low | 88 Ų | 88 | 153.5 Ų | 153.5 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | trans | 67.2 | 157 | 155.7 | 19.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 761 | E | 28.8 | Very low | 30.1 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | -170.6 | 161.3 | -21.4 | -119.8 | 174.1 | -177 | 0 | 0 | 110.8 | ||||
| 762 | F | 27.5 | Very low | 30.4 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | 60.6 | 157.4 | 160.1 | -67.2 | -56 | 0 | 0 | 0 | 118.7 | ||||
| 763 | K | 32.4 | Very low | 30.8 | Very low | 184 Ų | 184 | 150.3 Ų | 150.3 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | cis | -146.1 | 157.5 | 4.7 | -135.2 | 155 | -167.4 | 168.8 | 0 | 111.6 | ||||
| 764 | N | 26.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | -67.4 | 148 | -172.7 | -62.7 | -24.7 | 0 | 0 | 0 | 115.4 | ||||
| 765 | K | 33.5 | Very low | 31.6 | Very low | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 73% | 0.727 | S | S | * | * | trans | -150.7 | 127.3 | 135 | -119.3 | 172.3 | -175.5 | 175.7 | 0 | 110.4 | ||||
| 766 | S | 26.9 | Very low | 32.2 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | trans | -136.3 | 110.4 | -161.3 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 767 | Y | 30 | Very low | 33.6 | Very low | 217 Ų | 217 | 139.7 Ų | 139.7 | 85% | 0.851 | 70% | 0.699 | S | S | * | * | trans | -153.7 | 138.7 | 163.1 | -54.8 | -78.1 | 0 | 0 | 0 | 107.1 | ||||
| 768 | E | 31.4 | Very low | 34.3 | Very low | 165 Ų | 165 | 132 Ų | 132 | 77% | 0.771 | 68% | 0.676 | S | S | * | * | cis | -156.2 | 139 | -14.8 | -176.4 | 174.4 | -179.5 | 0 | 0 | 106.9 | ||||
| 769 | C | 26.4 | Very low | 35.3 | Very low | 132 Ų | 132 | 135 Ų | 135 | 89% | 0.892 | 67% | 0.669 | S | S | * | * | trans | -106.6 | 94.1 | -169.6 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 770 | I | 32.5 | Very low | 36.9 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 70% | 0.697 | 65% | 0.65 | S | S | * | * | trans | -88.3 | 127.2 | -176.4 | -61 | 179.7 | 0 | 0 | 0 | 112 | ||||
| 771 | N | 33.3 | Very low | 38.6 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | trans | -25.1 | 127.6 | 179 | -64.1 | -17.4 | 0 | 0 | 0 | 117.8 | D773 D774 | N771-D773 VanDerWaalsContact C-N 3.3Å; N771-D774 HydrophobicContact CB-CB 4.33Å; N771-D774 VanDerWaalsContact CB-OD2 3.26Å; N771-D774 WeakPolarHBondContact CB-OD2 3.34Å; N771-D774 PolarHBondContact ND2-OD2 3.4Å | ||
| 772 | K | 35.9 | Very low | 40.4 | Very low | 178 Ų | 178 | 132.2 Ų | 132.2 | 77% | 0.774 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -76.9 | -14.7 | 164.8 | -73.8 | 174.3 | 179.2 | 166.6 | 0 | 113.3 | T775 | K772-T775 PolarHBondContact O-OG1 3.08Š|
| 773 | D | 38.9 | Very low | 41.7 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -82.3 | -33.1 | -176.2 | -56.2 | -62.3 | 0 | 0 | 0 | 112.6 | N771 T775 I776 T777 | N771-D773 VanDerWaalsContact C-N 3.3Å; D773-T775 PolarHBondContact O-N 3.3Å; D773-I776 WeakPolarHBondContact O-CB 3.33Å; D773-I776 PolarHBondContact O-N 2.79Å; D773-T777 PolarHBondContact O-N 3.04Å; D773-T777 VanDerWaalsContact O-N 3.11Å |
| 774 | D | 37.9 | Very low | 43.6 | Very low | 81 Ų | 81 | 124.3 Ų | 124.3 | 43% | 0.433 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -28.5 | 174.5 | -74.2 | -56.2 | 0 | 0 | 0 | 112.7 | N771 I776 T777 V778 | N771-D774 HydrophobicContact CB-CB 4.33Å; N771-D774 VanDerWaalsContact CB-OD2 3.26Å; N771-D774 WeakPolarHBondContact CB-OD2 3.34Å; N771-D774 PolarHBondContact ND2-OD2 3.4Å; D774-I776 VanDerWaalsContact C-N 3.27Å; D774-I776 PolarHBondContact O-N 3.28Å; D774-T777 PolarHBondContact O-N 2.93Å; D774-T777 PolarHBondContact O-OG1 3.39Å; D774-V778 WeakPolarHBondContact O-CB 3.21Å; D774-V778 VanDerWaalsContact O-CG2 3.26Å; D774-V778 WeakPolarHBondContact O-CG2 3.34Å; D774-V778 PolarHBondContact O-N 2.94Å |
| 775 | T | 47.3 | Very low | 45.7 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.8 | -32.7 | 172.8 | 3.4 | 0 | 0 | 0 | 0 | 111.6 | K772 D773 F779 | K772-T775 PolarHBondContact O-OG1 3.08Å; D773-T775 PolarHBondContact O-N 3.3Å; T775-F779 WeakPolarHBondContact O-CB 3.5Å; T775-F779 PolarHBondContact O-N 2.98Å; T775-F779 VanDerWaalsContact O-N 3.08Å |
| 776 | I | 42.8 | Very low | 47.3 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 49% | 0.492 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -73.9 | -44.5 | 177.1 | -58.5 | 174.3 | 0 | 0 | 0 | 110.6 | D773 D774 V778 F779 N780 | D773-I776 WeakPolarHBondContact O-CB 3.33Å; D773-I776 PolarHBondContact O-N 2.79Å; D774-I776 VanDerWaalsContact C-N 3.27Å; D774-I776 PolarHBondContact O-N 3.28Å; I776-V778 PolarHBondContact O-N 3.14Å; I776-F779 PolarHBondContact O-N 2.99Å; I776-N780 WeakPolarHBondContact O-CB 3.21Å; I776-N780 PolarHBondContact O-N 3.27Å; I776-N780 PolarHBondContact O-ND2 2.97Å |
| 777 | T | 56.8 | Low | 49.3 | Very low | 66 Ų | 66 | 124.7 Ų | 124.7 | 41% | 0.405 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.1 | -37.3 | 178.8 | 68.7 | 0 | 0 | 0 | 0 | 112 | D773 D774 N780 R781 | D773-T777 PolarHBondContact O-N 3.04Å; D773-T777 VanDerWaalsContact O-N 3.11Å; D774-T777 PolarHBondContact O-N 2.93Å; D774-T777 PolarHBondContact O-OG1 3.39Å; T777-N780 PolarHBondContact O-N 3.13Å; T777-R781 WeakPolarHBondContact O-CB 3.5Å; T777-R781 WeakPolarHBondContact O-CG 3.21Å; T777-R781 PolarHBondContact O-N 3.43Å |
| 778 | V | 48.2 | Very low | 51.3 | Low | 73 Ų | 73 | 124 Ų | 124 | 44% | 0.442 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.3 | -43 | 173 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | D774 I776 N780 R781 Q782 | D774-V778 WeakPolarHBondContact O-CB 3.21Å; D774-V778 VanDerWaalsContact O-CG2 3.26Å; D774-V778 WeakPolarHBondContact O-CG2 3.34Å; D774-V778 PolarHBondContact O-N 2.94Å; I776-V778 PolarHBondContact O-N 3.14Å; V778-N780 VanDerWaalsContact C-N 3.31Å; V778-N780 PolarHBondContact O-N 2.92Å; V778-R781 PolarHBondContact O-N 3.33Å; V778-Q782 WeakPolarHBondContact O-CG 3.22Å; V778-Q782 PolarHBondContact O-N 3.27Å |
| 779 | F | 49.5 | Very low | 53.1 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60 | -41.8 | 175.1 | -127.5 | -90.3 | 0 | 0 | 0 | 111.9 | T775 I776 Q782 R783 | T775-F779 WeakPolarHBondContact O-CB 3.5Å; T775-F779 PolarHBondContact O-N 2.98Å; T775-F779 VanDerWaalsContact O-N 3.08Å; I776-F779 PolarHBondContact O-N 2.99Å; F779-Q782 PolarHBondContact O-N 3.44Å; F779-R783 WeakPolarHBondContact O-CB 3.16Å; F779-R783 PolarHBondContact O-N 2.98Å |
| 780 | N | 61 | Low | 55.1 | Low | 87 Ų | 87 | 121.1 Ų | 121.1 | 47% | 0.465 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -39.6 | 177.4 | -72.3 | -22 | 0 | 0 | 0 | 112.1 | I776 T777 V778 R783 A784 | I776-N780 WeakPolarHBondContact O-CB 3.21Å; I776-N780 PolarHBondContact O-N 3.27Å; I776-N780 PolarHBondContact O-ND2 2.97Å; T777-N780 PolarHBondContact O-N 3.13Å; V778-N780 VanDerWaalsContact C-N 3.31Å; V778-N780 PolarHBondContact O-N 2.92Å; N780-R783 PolarHBondContact O-N 3.26Å; N780-A784 WeakPolarHBondContact O-CB 3.17Å; N780-A784 PolarHBondContact O-N 2.89Å |
| 781 | R | 62.3 | Low | 56.9 | Low | 192 Ų | 192 | 118.8 Ų | 118.8 | 73% | 0.725 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -36.3 | 172.6 | -78.9 | 177.6 | 167.5 | 178.1 | -2.8 | 112.8 | T777 V778 K785 | T777-R781 WeakPolarHBondContact O-CB 3.5Å; T777-R781 WeakPolarHBondContact O-CG 3.21Å; T777-R781 PolarHBondContact O-N 3.43Å; V778-R781 PolarHBondContact O-N 3.33Å; R781-K785 PolarHBondContact O-N 3.42Å; R781-K785 VanDerWaalsContact O-N 3.16Å |
| 782 | Q | 67.9 | Low | 58.6 | Low | 122 Ų | 122 | 120.2 Ų | 120.2 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.1 | -45.6 | 173.3 | -72 | -172 | 9.5 | 0 | 0 | 111.8 | V778 F779 A784 K785 Y786 | V778-Q782 WeakPolarHBondContact O-CG 3.22Å; V778-Q782 PolarHBondContact O-N 3.27Å; F779-Q782 PolarHBondContact O-N 3.44Å; Q782-A784 VanDerWaalsContact C-N 3.35Å; Q782-A784 PolarHBondContact O-N 3.43Å; Q782-K785 PolarHBondContact O-N 2.88Å; Q782-Y786 PolarHBondContact O-N 3.01Å |
| 783 | R | 54.3 | Low | 59.5 | Low | 121 Ų | 121 | 120.5 Ų | 120.5 | 46% | 0.457 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -56.2 | -45.8 | 172.7 | -89.7 | 179.5 | 139.8 | 177.2 | -6.5 | 112.1 | F779 N780 K785 Y786 L787 P1563 | F779-R783 WeakPolarHBondContact O-CB 3.16Å; F779-R783 PolarHBondContact O-N 2.98Å; N780-R783 PolarHBondContact O-N 3.26Å; R783-K785 PolarHBondContact O-N 3.28Å; R783-Y786 PolarHBondContact O-N 2.94Å; R783-L787 WeakPolarHBondContact O-CB 3.19Å; R783-L787 PolarHBondContact O-N 3.39Å; R783-P1563 PolarHBondContact NH2-O 2.99Å |
| 784 | A | 71.1 | Confident | 59.9 | Low | 59 Ų | 59 | 116.6 Ų | 116.6 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N780 Q782 R788 | N780-A784 WeakPolarHBondContact O-CB 3.17Å; N780-A784 PolarHBondContact O-N 2.89Å; Q782-A784 VanDerWaalsContact C-N 3.35Å; Q782-A784 PolarHBondContact O-N 3.43Å; A784-R788 VanDerWaalsContact O-CB 3.28Å; A784-R788 WeakPolarHBondContact O-CB 3.45Å; A784-R788 PolarHBondContact O-N 2.94Å |
| 785 | K | 71.7 | Confident | 60.3 | Low | 159 Ų | 159 | 119.3 Ų | 119.3 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -41.1 | 173.6 | -79.7 | -175 | 173.6 | -179.1 | 0 | 112.6 | R781 Q782 R783 R788 L789 | R781-K785 PolarHBondContact O-N 3.42Å; R781-K785 VanDerWaalsContact O-N 3.16Å; Q782-K785 PolarHBondContact O-N 2.88Å; R783-K785 PolarHBondContact O-N 3.28Å; K785-R788 PolarHBondContact O-N 3.06Å; K785-L789 WeakPolarHBondContact O-CB 3.43Å; K785-L789 WeakPolarHBondContact O-CG 3.12Å; K785-L789 PolarHBondContact O-N 3.35Å |
| 786 | Y | 68.3 | Low | 60.4 | Low | 186 Ų | 186 | 122.8 Ų | 122.8 | 73% | 0.729 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.1 | -42.2 | 178.8 | -126.8 | -82 | 0 | 0 | 0 | 112.2 | Q782 R783 L789 F790 | Q782-Y786 PolarHBondContact O-N 3.01Å; R783-Y786 PolarHBondContact O-N 2.94Å; Y786-L789 PolarHBondContact O-N 3.49Å; Y786-F790 VanDerWaalsContact O-CB 3.27Å; Y786-F790 WeakPolarHBondContact O-CB 3.31Å; Y786-F790 PolarHBondContact O-N 3.48Å |
| 787 | L | 68.3 | Low | 60.5 | Low | 110 Ų | 110 | 125.4 Ų | 125.4 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63 | -43.7 | 175 | -166.7 | 80.5 | 0 | 0 | 0 | 111 | R783 F790 L791 | R783-L787 WeakPolarHBondContact O-CB 3.19Å; R783-L787 PolarHBondContact O-N 3.39Å; L787-F790 PolarHBondContact O-N 3.26Å; L787-L791 HydrophobicContact CD2-CD1 4.31Å; L787-L791 HydrophobicContact CG-CD1 4.04Å; L787-L791 WeakPolarHBondContact O-CB 3.49Å; L787-L791 WeakPolarHBondContact O-CG 3.43Å; L787-L791 PolarHBondContact O-N 3.12Å |
| 788 | R | 70.6 | Confident | 59.6 | Low | 203 Ų | 203 | 129.3 Ų | 129.3 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 177.9 | -157 | 171.3 | -167.4 | 169 | 3 | 111.5 | A784 K785 Q792 | A784-R788 VanDerWaalsContact O-CB 3.28Å; A784-R788 WeakPolarHBondContact O-CB 3.45Å; A784-R788 PolarHBondContact O-N 2.94Å; K785-R788 PolarHBondContact O-N 3.06Å; R788-Q792 WeakPolarHBondContact O-CB 3.27Å; R788-Q792 PolarHBondContact O-N 3.07Å |
| 789 | L | 69.5 | Low | 59 | Low | 94 Ų | 94 | 131 Ų | 131 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.2 | -33.3 | 173.2 | -79.1 | 166 | 0 | 0 | 0 | 113.4 | K785 Y786 R793 | K785-L789 WeakPolarHBondContact O-CB 3.43Å; K785-L789 WeakPolarHBondContact O-CG 3.12Å; K785-L789 PolarHBondContact O-N 3.35Å; Y786-L789 PolarHBondContact O-N 3.49Å; L789-R793 WeakPolarHBondContact O-CB 3.38Å; L789-R793 WeakPolarHBondContact O-CG 3.35Å; L789-R793 PolarHBondContact O-N 3.23Å |
| 790 | F | 69.4 | Low | 58 | Low | 143 Ų | 143 | 130.4 Ų | 130.4 | 63% | 0.627 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.8 | -48.1 | 176.9 | -176 | -94.4 | 0 | 0 | 0 | 111.4 | Y786 L787 Q792 R793 A794 | Y786-F790 VanDerWaalsContact O-CB 3.27Å; Y786-F790 WeakPolarHBondContact O-CB 3.31Å; Y786-F790 PolarHBondContact O-N 3.48Å; L787-F790 PolarHBondContact O-N 3.26Å; F790-Q792 VanDerWaalsContact C-N 3.35Å; F790-Q792 PolarHBondContact O-N 2.86Å; F790-R793 CarbonylContact O-C 3.36Å; F790-R793 PolarHBondContact O-N 2.92Å; F790-R793 VanDerWaalsContact O-N 3.16Å; F790-A794 WeakPolarHBondContact O-CB 3.34Å; F790-A794 PolarHBondContact O-N 2.85Å |
| 791 | L | 68.9 | Low | 56.5 | Low | 87 Ų | 87 | 135.7 Ų | 135.7 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.3 | -43.6 | 173.3 | -74.6 | 166.5 | 0 | 0 | 0 | 111.4 | L787 R793 A794 F795 | L787-L791 HydrophobicContact CD2-CD1 4.31Å; L787-L791 HydrophobicContact CG-CD1 4.04Å; L787-L791 WeakPolarHBondContact O-CB 3.49Å; L787-L791 WeakPolarHBondContact O-CG 3.43Å; L787-L791 PolarHBondContact O-N 3.12Å; L791-R793 VanDerWaalsContact C-N 3.28Å; L791-R793 PolarHBondContact O-N 2.58Å; L791-A794 PolarHBondContact O-N 3.32Å; L791-A794 VanDerWaalsContact O-N 3.13Å; L791-F795 PolarHBondContact O-N 3.34Å |
| 792 | Q | 70.5 | Confident | 55 | Low | 127 Ų | 127 | 132.3 Ų | 132.3 | 59% | 0.593 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.3 | -36.3 | 175.2 | -171.9 | 175.8 | 16.7 | 0 | 0 | 111.9 | R788 F790 H796 | R788-Q792 WeakPolarHBondContact O-CB 3.27Å; R788-Q792 PolarHBondContact O-N 3.07Å; F790-Q792 VanDerWaalsContact C-N 3.35Å; F790-Q792 PolarHBondContact O-N 2.86Å; Q792-H796 WeakPolarHBondContact O-CB 3.37Å; Q792-H796 PolarHBondContact O-N 2.92Å |
| 793 | R | 54.9 | Low | 53.1 | Low | 184 Ų | 184 | 132.2 Ų | 132.2 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.4 | -32.1 | 172.7 | -77.7 | 179 | 174 | 173.7 | -0.4 | 113.8 | L789 F790 L791 H796 L797 | L789-R793 WeakPolarHBondContact O-CB 3.38Å; L789-R793 WeakPolarHBondContact O-CG 3.35Å; L789-R793 PolarHBondContact O-N 3.23Å; F790-R793 CarbonylContact O-C 3.36Å; F790-R793 PolarHBondContact O-N 2.92Å; F790-R793 VanDerWaalsContact O-N 3.16Å; L791-R793 VanDerWaalsContact C-N 3.28Å; L791-R793 PolarHBondContact O-N 2.58Å; R793-H796 PolarHBondContact O-N 2.85Å; R793-L797 WeakPolarHBondContact O-CB 3.11Å; R793-L797 WeakPolarHBondContact O-CD1 3.45Å; R793-L797 VanDerWaalsContact O-CG 3.31Å; R793-L797 WeakPolarHBondContact O-CG 3.31Å; R793-L797 PolarHBondContact O-N 2.88Å |
| 794 | A | 46.7 | Very low | 52.2 | Low | 28 Ų | 28 | 133 Ų | 133 | 23% | 0.231 | 64% | 0.639 | C | S | . | * | H | α-helix | trans | -68 | -49.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F790 L791 H796 L797 Q798 | F790-A794 WeakPolarHBondContact O-CB 3.34Å; F790-A794 PolarHBondContact O-N 2.85Å; L791-A794 PolarHBondContact O-N 3.32Å; L791-A794 VanDerWaalsContact O-N 3.13Å; A794-H796 VanDerWaalsContact C-N 3.25Å; A794-H796 PolarHBondContact O-N 3.11Å; A794-L797 CarbonylContact O-C 3.51Å; A794-L797 PolarHBondContact O-N 3.41Å; A794-Q798 PolarHBondContact O-N 2.8Å; A794-Q798 VanDerWaalsContact O-N 3.12Å |
| 795 | F | 46 | Very low | 50.3 | Low | 138 Ų | 138 | 137.2 Ų | 137.2 | 61% | 0.605 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -55 | -41.8 | 170.9 | -96.1 | -90.2 | 0 | 0 | 0 | 111.8 | L791 L797 Q798 | L791-F795 PolarHBondContact O-N 3.34Å; F795-L797 PolarHBondContact O-N 3.49Å; F795-L797 VanDerWaalsContact O-N 3.15Å; F795-Q798 PolarHBondContact O-N 3.49Å |
| 796 | H | 49.9 | Very low | 48.3 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 77% | 0.769 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -3 | 178.4 | -142 | -48.7 | 0 | 0 | 0 | 114.7 | Q792 R793 A794 | Q792-H796 WeakPolarHBondContact O-CB 3.37Å; Q792-H796 PolarHBondContact O-N 2.92Å; R793-H796 PolarHBondContact O-N 2.85Å; A794-H796 VanDerWaalsContact C-N 3.25Å; A794-H796 PolarHBondContact O-N 3.11Å |
| 797 | L | 44.2 | Very low | 46.4 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 79% | 0.791 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -4.1 | 179.5 | -74.1 | 170.6 | 0 | 0 | 0 | 114 | R793 A794 F795 | R793-L797 WeakPolarHBondContact O-CB 3.11Å; R793-L797 WeakPolarHBondContact O-CD1 3.45Å; R793-L797 VanDerWaalsContact O-CG 3.31Å; R793-L797 WeakPolarHBondContact O-CG 3.31Å; R793-L797 PolarHBondContact O-N 2.88Å; A794-L797 CarbonylContact O-C 3.51Å; A794-L797 PolarHBondContact O-N 3.41Å; F795-L797 PolarHBondContact O-N 3.49Å; F795-L797 VanDerWaalsContact O-N 3.15Å |
| 798 | Q | 38.9 | Very low | 44.8 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -106.2 | 6.2 | -179.6 | -72.3 | -173 | -83.8 | 0 | 0 | 114.6 | A794 F795 P800 | A794-Q798 PolarHBondContact O-N 2.8Å; A794-Q798 VanDerWaalsContact O-N 3.12Å; F795-Q798 PolarHBondContact O-N 3.49Å; Q798-P800 VanDerWaalsContact O-CD 3.31Å; Q798-P800 WeakPolarHBondContact O-CD 3.35Å |
| 799 | H | 35.6 | Very low | 42.9 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 51% | 0.509 | 66% | 0.659 | S | S | . | * | trans | -113.9 | 93.6 | 178.2 | -73.5 | -45.4 | 0 | 0 | 0 | 113.4 | R801 | H799-R801 HydrophobicContact CB-CG 4.24Å; H799-R801 PolarHBondContact O-N 2.95Å | ||
| 800 | P | 29.1 | Very low | 40.9 | Very low | 123 Ų | 123 | 132 Ų | 132 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -76.5 | 67.8 | 155.1 | 34.9 | -32.7 | 0 | 0 | 0 | 108.9 | Q798 V802 | Q798-P800 VanDerWaalsContact O-CD 3.31Å; Q798-P800 WeakPolarHBondContact O-CD 3.35Å; P800-V802 VanDerWaalsContact C-N 3.35Å; P800-V802 PolarHBondContact O-N 2.87Å | ||
| 801 | R | 29 | Very low | 39.1 | Very low | 198 Ų | 198 | 131 Ų | 131 | 75% | 0.747 | 67% | 0.674 | S | S | * | * | trans | -71.4 | 91.6 | 176.9 | -89.7 | -175.3 | 178.2 | -172.7 | -1.3 | 110 | H799 V803 | H799-R801 HydrophobicContact CB-CG 4.24Å; H799-R801 PolarHBondContact O-N 2.95Å; R801-V803 PolarHBondContact O-N 3.45Å | ||
| 802 | V | 29.8 | Very low | 37.3 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | trans | -59.5 | 128.5 | 154.5 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | P800 I804 | P800-V802 VanDerWaalsContact C-N 3.35Å; P800-V802 PolarHBondContact O-N 2.87Å; V802-I804 HydrophobicContact CG1-CD1 3.91Å; V802-I804 HydrophobicContact CG1-CG1 3.91Å | ||
| 803 | V | 29 | Very low | 35.3 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -128.2 | 107.7 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 106 | R801 | R801-V803 PolarHBondContact O-N 3.45Š| ||
| 804 | I | 35.6 | Very low | 34.1 | Very low | 138 Ų | 138 | 132 Ų | 132 | 71% | 0.708 | 70% | 0.695 | S | S | * | * | trans | -113.5 | 135.6 | 172.2 | -68.7 | 172.1 | 0 | 0 | 0 | 106.4 | V802 | V802-I804 HydrophobicContact CG1-CD1 3.91Å; V802-I804 HydrophobicContact CG1-CG1 3.91Å | ||
| 805 | N | 29.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -84.6 | 129.3 | 174.2 | -80.7 | -14.7 | 0 | 0 | 0 | 110.1 | ||||
| 806 | S | 31.4 | Very low | 32.4 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -152.3 | 117 | 150.9 | 51.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 807 | N | 28.3 | Very low | 31.3 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | trans | -106 | 112.1 | 154.5 | -16.3 | -101.9 | 0 | 0 | 0 | 106 | K356 | K356-N807 PolarHBondContact NZ-OD1 3.16Š| ||
| 808 | Q | 34.6 | Very low | 30.4 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -145.9 | 147.5 | 146.2 | -154.4 | 84.4 | 34.5 | 0 | 0 | 104.5 | ||||
| 809 | T | 28.8 | Very low | 29.8 | Very low | 108 Ų | 108 | 133 Ų | 133 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | -103 | -176.6 | -169.3 | 40 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 810 | D | 29.5 | Very low | 29.4 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 85.1 | 92.3 | 152.2 | -48 | -44.2 | 0 | 0 | 0 | 118.8 | ||||
| 811 | T | 30.8 | Very low | 29.1 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | 85.3 | 141.3 | 127.4 | 39.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 812 | D | 31.5 | Very low | 28.9 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | trans | 72.3 | 92.1 | 144.9 | -58.9 | -4.6 | 0 | 0 | 0 | 121.5 | ||||
| 813 | M | 27 | Very low | 28.7 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | 72 | 136.5 | 114.8 | -82 | 177.2 | 57.2 | 0 | 0 | 122 | |||||
| 814 | L | 29.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | 69.5 | 111.4 | 149.5 | -69.6 | 175.3 | 0 | 0 | 0 | 120.1 | ||||
| 815 | E | 30.6 | Very low | 28 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | 85.5 | 108 | 113.6 | -158.4 | 160.9 | -161.2 | 0 | 0 | 120 | |||||
| 816 | S | 27.9 | Very low | 27.8 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | trans | 63.2 | 138.2 | 138.7 | -57.7 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 817 | D | 25.9 | Very low | 27.6 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | trans | 74.7 | 156 | 147.4 | -71.7 | -21.6 | 0 | 0 | 0 | 122.7 | ||||
| 818 | S | 26.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 68.6 | 100.6 | 167.5 | 64.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 819 | V | 25.5 | Very low | 27.1 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | 0 | 126.7 | 123.4 | -173.9 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 820 | V | 26.5 | Very low | 27.1 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | trans | -174.6 | 167.7 | 131.9 | 139.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 821 | L | 24.2 | Very low | 26.9 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | trans | -93.9 | 170.8 | -178.7 | -83.2 | 82.1 | 0 | 0 | 0 | 113.7 | ||||
| 822 | D | 24.2 | Very low | 27 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 70.7 | 153.8 | 155.3 | -71.7 | -31.2 | 0 | 0 | 0 | 116.7 | ||||
| 823 | S | 25.4 | Very low | 26.8 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -152.8 | 144.9 | 0.1 | 55.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 824 | K | 25.5 | Very low | 27 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 73% | 0.726 | 74% | 0.736 | S | S | * | * | 81.6 | 145.2 | 81.8 | -159.3 | -171.7 | 169.7 | -175.6 | 0 | 115.6 | |||||
| 825 | W | 25.2 | Very low | 26.9 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | 78.4 | 166.8 | 175.9 | -56.3 | 85.7 | 0 | 0 | 0 | 117.2 | ||||
| 826 | S | 25.5 | Very low | 26.9 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 52% | 0.524 | 74% | 0.735 | S | S | . | * | 178.2 | 158.7 | -72 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 827 | N | 25.9 | Very low | 27.1 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | trans | 68.3 | 167.1 | 171.7 | -52.2 | -10.8 | 0 | 0 | 0 | 114.9 | ||||
| 828 | E | 27.3 | Very low | 27.5 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | cis | -144.1 | 176.8 | 7.7 | -97.1 | -150.1 | 80.2 | 0 | 0 | 109.3 | ||||
| 829 | N | 26.1 | Very low | 27.6 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | cis | 178.1 | 165.5 | -28.3 | -175.8 | 14.3 | 0 | 0 | 0 | 109.9 | ||||
| 830 | S | 27.9 | Very low | 27.8 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | 77.7 | 159.6 | 158.5 | 90.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 831 | K | 26.6 | Very low | 28.1 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -168.7 | 153.4 | 6.1 | -133.1 | 161.9 | -172.3 | 169.6 | 0 | 113.3 | ||||
| 832 | Y | 32.1 | Very low | 28.4 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 80% | 0.796 | 73% | 0.726 | S | S | * | * | trans | 62.9 | 158.4 | 154.2 | -66.4 | -44.1 | 0 | 0 | 0 | 121.2 | ||||
| 833 | S | 28.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | cis | -173.6 | 129.9 | -18.4 | 166.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 834 | G | 30 | Very low | 29.5 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 80 | 171.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 835 | N | 28.5 | Very low | 29.9 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | cis | -169.3 | 154.9 | -14.9 | -136.1 | -11.5 | 0 | 0 | 0 | 114.8 | ||||
| 836 | Y | 29.9 | Very low | 30 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 63.4 | 142.9 | 171 | -61.1 | -81.3 | 0 | 0 | 0 | 120.3 | ||||
| 837 | I | 31.4 | Very low | 30.2 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | cis | 93.4 | 146.2 | 20.2 | -65.1 | 164.3 | 0 | 0 | 0 | 113.5 | ||||
| 838 | P | 35.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | cis | -132.7 | -166.6 | -1.5 | 31.4 | -8 | 0 | 0 | 0 | 116.9 | ||||
| 839 | S | 28.1 | Very low | 30.7 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | 110.1 | 150.3 | 144 | -65 | 0 | 0 | 0 | 0 | 119 | ||||
| 840 | S | 29.1 | Very low | 30.8 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | cis | -169 | 171.6 | -21.6 | 61.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 841 | N | 33.2 | Very low | 30.7 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | trans | 64.7 | 93.7 | 149.9 | -63.8 | -9 | 0 | 0 | 0 | 123.7 | ||||
| 842 | N | 31.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | 43.4 | 156.5 | 105.4 | -80 | -2.8 | 0 | 0 | 0 | 123 | |||||
| 843 | P | 40.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | cis | -130.1 | -143.9 | -13.3 | 31.9 | -6.3 | 0 | 0 | 0 | 110.6 | ||||
| 844 | D | 31.7 | Very low | 30.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 67% | 0.668 | 71% | 0.711 | S | S | * | * | cis | -163.2 | 179.7 | -2.3 | -144.2 | -23 | 0 | 0 | 0 | 113.1 | ||||
| 845 | I | 34.5 | Very low | 30.1 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | trans | 57.3 | 130.6 | 148.1 | -73.9 | 156.9 | 0 | 0 | 0 | 120.4 | ||||
| 846 | N | 27.7 | Very low | 30.1 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | cis | -170.4 | 177.8 | -26.1 | -132.2 | -42.6 | 0 | 0 | 0 | 111.9 | ||||
| 847 | F | 28.5 | Very low | 29.8 | Very low | 178 Ų | 178 | 129 Ų | 129 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | trans | 62.2 | 111.6 | 169.3 | -59.4 | -68.2 | 0 | 0 | 0 | 117.7 | ||||
| 848 | K | 29.9 | Very low | 29.5 | Very low | 193 Ų | 193 | 128.8 Ų | 128.8 | 84% | 0.839 | 71% | 0.709 | S | S | * | * | cis | 65.4 | 149.4 | 32.8 | -118.8 | -168.7 | -176.6 | 176.2 | 0 | 113.3 | ||||
| 849 | P | 33.7 | Very low | 29.1 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | cis | -142.1 | 177.9 | -0.9 | 41.7 | -22.9 | 0 | 0 | 0 | 117.6 | ||||
| 850 | S | 27.8 | Very low | 28.9 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | trans | 71.4 | 153.1 | 140.5 | 73.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 851 | N | 27.1 | Very low | 28.7 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | cis | -160 | 146.9 | -5.2 | -123 | -13.3 | 0 | 0 | 0 | 113.4 | ||||
| 852 | Q | 27.8 | Very low | 28.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 60% | 0.603 | 71% | 0.707 | S | S | * | * | trans | 64.7 | 150.2 | 147.7 | -63.1 | -176.3 | 41.7 | 0 | 0 | 119.2 | ||||
| 853 | R | 24.8 | Very low | 28 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | cis | -159.6 | 166.4 | -4.7 | -124.9 | 176.4 | -169.6 | 160.4 | 5.3 | 111 | ||||
| 854 | V | 25.8 | Very low | 27.3 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | 58.2 | 99.2 | 152.7 | 171.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 855 | S | 26.3 | Very low | 27 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | 74.7 | 140.5 | 56.7 | 83.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 856 | S | 26.9 | Very low | 26.5 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 71% | 0.713 | S | S | * | * | cis | -179 | 178.2 | -10.5 | 48.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 857 | L | 25 | Very low | 26.4 | Very low | 150 Ų | 150 | 133 Ų | 133 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | 67.9 | 160.3 | 157.3 | -63.2 | 163 | 0 | 0 | 0 | 117.6 | ||||
| 858 | N | 25 | Very low | 26.5 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | cis | -159 | 178.9 | -48.6 | -145.3 | -6 | 0 | 0 | 0 | 111.8 | ||||
| 859 | S | 25.4 | Very low | 26.2 | Very low | 82 Ų | 82 | 126.3 Ų | 126.3 | 57% | 0.573 | 72% | 0.716 | S | S | * | * | trans | 61.6 | 92.8 | 140.3 | 64.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 860 | T | 25.5 | Very low | 26.2 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | 63.3 | 130.7 | 114.1 | 62.7 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 861 | N | 24.9 | Very low | 26 | Very low | 131 Ų | 131 | 131.4 Ų | 131.4 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | 94.8 | 136.7 | 120.3 | -87.1 | -28.6 | 0 | 0 | 0 | 123.4 | |||||
| 862 | K | 25.3 | Very low | 26.2 | Very low | 192 Ų | 192 | 131.5 Ų | 131.5 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | 66.9 | 145.8 | 156.3 | -64.3 | 165.9 | -176.9 | -179.6 | 0 | 115.5 | ||||
| 863 | S | 24.8 | Very low | 26.2 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | cis | -139.1 | 140.1 | 0.2 | 43.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 864 | C | 24.6 | Very low | 26.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | 18.8 | 124.5 | 126.2 | -158.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 865 | L | 25.1 | Very low | 26.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | -175.6 | 142.1 | 103.9 | -94 | 168.4 | 0 | 0 | 0 | 115.1 | |||||
| 866 | K | 23.7 | Very low | 26.4 | Very low | 189 Ų | 189 | 143 Ų | 143 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 24.8 | 96.1 | 150.4 | -62.6 | 167 | -169.4 | 159.9 | 0 | 119.6 | ||||
| 867 | S | 27.6 | Very low | 26.4 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -159.3 | 165.6 | 146.8 | 63.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 868 | T | 28.6 | Very low | 26.5 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | cis | -148.6 | 141.1 | -44.2 | -87.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 869 | S | 25.5 | Very low | 26.7 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -83.5 | 126.8 | -177.4 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | K871 | S869-K871 PolarHBondContact O-N 2.96Å; S869-K871 VanDerWaalsContact O-N 3.13Å | ||
| 870 | P | 33.1 | Very low | 26.7 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | -77.7 | 102.7 | -174.2 | 29.2 | -34.2 | 0 | 0 | 0 | 112.2 | ||||
| 871 | K | 23.8 | Very low | 26.8 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -86.6 | 109.8 | 156.1 | -73.3 | 175.3 | -177.7 | 165.4 | 0 | 108.7 | S869 | S869-K871 PolarHBondContact O-N 2.96Å; S869-K871 VanDerWaalsContact O-N 3.13Å | ||
| 872 | V | 29.9 | Very low | 26.9 | Very low | 129 Ų | 129 | 147.9 Ų | 147.9 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | -122.7 | 91.1 | 165.7 | -174.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 873 | F | 28.9 | Very low | 27 | Very low | 171 Ų | 171 | 144 Ų | 144 | 75% | 0.75 | 78% | 0.777 | S | S | * | * | 57.6 | 96.7 | 90.1 | -88.6 | -80.1 | 0 | 0 | 0 | 114 | |||||
| 874 | Y | 27.3 | Very low | 27.3 | Very low | 231 Ų | 231 | 142.5 Ų | 142.5 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -79 | 132.7 | 142.5 | -75.3 | -91.6 | 0 | 0 | 0 | 107.6 | ||||
| 875 | N | 27.9 | Very low | 27.4 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -140.9 | 105.7 | 164.9 | -150.4 | 21.4 | 0 | 0 | 0 | 108.7 | ||||
| 876 | W | 24.8 | Very low | 27.8 | Very low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -151.7 | 110.3 | 168.1 | -165.3 | 46.2 | 0 | 0 | 0 | 111.4 | ||||
| 877 | S | 27.9 | Very low | 28.1 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 58% | 0.58 | 78% | 0.781 | S | S | * | * | trans | -154.7 | 123.1 | 168.1 | 50.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 878 | E | 27.2 | Very low | 28.3 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 56.3 | 148.7 | 140.5 | -64.5 | 166.3 | 132.4 | 0 | 0 | 120.1 | ||||
| 879 | A | 29.2 | Very low | 28.4 | Very low | 77 Ų | 77 | 143.6 Ų | 143.6 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -168.1 | 146.2 | -21.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 880 | K | 26.3 | Very low | 28.7 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | trans | 59.9 | 167.6 | 150.1 | -69 | 177.9 | 176 | -178.4 | 0 | 119.9 | ||||
| 881 | S | 27.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 72 | 126.3 | 172.1 | -46.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 882 | L | 27 | Very low | 29.2 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | 60.7 | 134.9 | 61.7 | -80.5 | 83.2 | 0 | 0 | 0 | 113.1 | |||||
| 883 | S | 26.8 | Very low | 29.4 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | -174.4 | 135.6 | -17.5 | 42.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 884 | G | 30.7 | Very low | 29.8 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | -166.8 | 112.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 885 | N | 27.2 | Very low | 30.1 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | trans | -95.5 | 137.5 | 168 | -76.8 | 0.4 | 0 | 0 | 0 | 109.1 | ||||
| 886 | T | 32.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -156.7 | 124 | 142.8 | 26.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 887 | N | 29.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | 69.5 | 129.3 | 77.5 | -73.6 | 51.2 | 0 | 0 | 0 | 110.4 | |||||
| 888 | D | 31.9 | Very low | 30.9 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | cis | -152.2 | 172.7 | 14.8 | -93.7 | -37.8 | 0 | 0 | 0 | 113.5 | ||||
| 889 | H | 32.1 | Very low | 31.2 | Very low | 167 Ų | 167 | 125 Ų | 125 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | 46.6 | 150.1 | 143.3 | -66.1 | -31.9 | 0 | 0 | 0 | 122.2 | ||||
| 890 | S | 31.5 | Very low | 31.4 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | cis | -166 | 158.9 | -0.5 | 35.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 891 | Q | 33.5 | Very low | 31.7 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 44.2 | 135.9 | 140.3 | -61.5 | 165 | -3.8 | 0 | 0 | 119.3 | ||||
| 892 | T | 33.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 125 Ų | 125 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | cis | -146.1 | 147.2 | 30.6 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 893 | T | 33.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | 57.9 | 148 | 55.2 | 62.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 894 | P | 36.7 | Very low | 32.4 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 76% | 0.76 | 70% | 0.696 | S | S | * | * | cis | -114.8 | -160.8 | -11.5 | 24.5 | 1.1 | 0 | 0 | 0 | 109.9 | ||||
| 895 | T | 33 | Very low | 32.4 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | cis | -153.7 | 153.4 | 25.7 | 40.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 896 | T | 33.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | trans | 48.8 | 130.1 | 146.2 | 58.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 897 | D | 31.5 | Very low | 32.5 | Very low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | cis | -164.6 | 160.3 | 1.5 | -117.9 | -18.9 | 0 | 0 | 0 | 116.9 | ||||
| 898 | I | 34.3 | Very low | 32.6 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | trans | 68.6 | 97.7 | 142.4 | -70.7 | 164.4 | 0 | 0 | 0 | 120.8 | ||||
| 899 | T | 32.6 | Very low | 32.6 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | trans | 69.4 | 122.1 | 133.3 | 68.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 900 | N | 32.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | 81.7 | 149.3 | 81.2 | -59.9 | -11.3 | 0 | 0 | 0 | 113.8 | |||||
| 901 | S | 32.4 | Very low | 32.5 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 59% | 0.587 | 70% | 0.698 | S | S | * | * | cis | -166.5 | 156.7 | -18.5 | 51 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 902 | Q | 32.1 | Very low | 32.4 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | trans | 16.5 | 143 | 130.8 | -51.7 | 163 | -115 | 0 | 0 | 118.6 | ||||
| 903 | D | 31.7 | Very low | 32 | Very low | 69 Ų | 69 | 125.5 Ų | 125.5 | 37% | 0.369 | 69% | 0.692 | S | S | . | * | -156.5 | 150.5 | 55 | -93 | -59.4 | 0 | 0 | 0 | 112.1 | N1062 | D903-N1062 PolarHBondContact OD2-N 3.49Š| |||
| 904 | A | 32.7 | Very low | 31.7 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 69% | 0.694 | 69% | 0.69 | S | S | * | * | 63.9 | 147 | 97.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 905 | V | 31 | Very low | 31.3 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | -160.4 | 117 | 81.1 | 141.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 906 | T | 29.2 | Very low | 31.1 | Very low | 110 Ų | 110 | 133 Ų | 133 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | 63.5 | 162.8 | 150.4 | 72.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 907 | H | 32.8 | Very low | 30.8 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | cis | -129.1 | 143.4 | 1 | -102.7 | -73.1 | 0 | 0 | 0 | 111.8 | ||||
| 908 | A | 31.4 | Very low | 30.8 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | trans | -101.2 | 160 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 909 | P | 33.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 135 Ų | 135 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | -128.4 | 148.3 | 86.2 | 8.1 | 14.5 | 0 | 0 | 0 | 112.4 | |||||
| 910 | K | 28.9 | Very low | 30.4 | Very low | 173 Ų | 173 | 136 Ų | 136 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | cis | 80.8 | 142 | 49.5 | -72.5 | -178.3 | 175.4 | 173.9 | 0 | 114.9 | ||||
| 911 | R | 32.2 | Very low | 30.2 | Very low | 217 Ų | 217 | 135.6 Ų | 135.6 | 82% | 0.819 | 72% | 0.717 | S | S | * | * | trans | 79.8 | 117.7 | 162 | -73.4 | 162 | -178.3 | 172.5 | -2.8 | 115.9 | ||||
| 912 | H | 30 | Very low | 30 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | 91.9 | 145.4 | 61.8 | -92.9 | -127.4 | 0 | 0 | 0 | 111.2 | |||||
| 913 | M | 26.3 | Very low | 29.8 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | cis | -166.9 | 166 | -16 | -149.8 | -170 | 176.7 | 0 | 0 | 109.4 | ||||
| 914 | K | 27.7 | Very low | 29.6 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | trans | 69.7 | 143.2 | 152.6 | -80.7 | 177 | 179.3 | -175.9 | 0 | 121.5 | ||||
| 915 | Q | 28.2 | Very low | 29.4 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | 94 | 139.3 | 136.4 | -89.6 | 163.4 | -58.8 | 0 | 0 | 122.9 | ||||
| 916 | Y | 29 | Very low | 29.1 | Very low | 198 Ų | 198 | 139 Ų | 139 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 71.3 | 149.3 | 173.1 | -65.9 | -73.8 | 0 | 0 | 0 | 121.7 | ||||
| 917 | F | 27.5 | Very low | 29.1 | Very low | 209 Ų | 209 | 139.3 Ų | 139.3 | 92% | 0.917 | 72% | 0.722 | S | S | * | * | trans | -88.1 | 148.8 | -159.9 | -76.4 | -117.3 | 0 | 0 | 0 | 112.5 | ||||
| 918 | G | 30.2 | Very low | 28.8 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | 177.9 | 120.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 919 | P | 29.2 | Very low | 28.5 | Very low | 130 Ų | 130 | 142 Ų | 142 | 84% | 0.844 | 73% | 0.725 | S | S | * | * | trans | -101.2 | 108.8 | -179.2 | 34.4 | -28.7 | 0 | 0 | 0 | 112.7 | ||||
| 920 | V | 29.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | trans | -152.2 | 144.6 | 168.6 | 118.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 921 | N | 28.5 | Very low | 28 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | trans | 18.1 | 127.6 | 160.7 | -55 | -31.8 | 0 | 0 | 0 | 121.3 | ||||
| 922 | G | 28.8 | Very low | 27.8 | Very low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | trans | -174.2 | 21 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | V924 | G922-V924 PolarHBondContact O-N 3.08Š| ||
| 923 | F | 27.1 | Very low | 27.7 | Very low | 200 Ų | 200 | 135.9 Ų | 135.9 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -99.7 | 71.3 | -174 | -126.5 | -71.5 | 0 | 0 | 0 | 114 | R925 | F923-R925 PolarHBondContact O-N 3.32Š| ||
| 924 | V | 28.5 | Very low | 27.8 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 65% | 0.648 | 70% | 0.7 | S | S | * | * | trans | -70.1 | 90.1 | 174.5 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | G922 | G922-V924 PolarHBondContact O-N 3.08Š| ||
| 925 | R | 27.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 49% | 0.491 | 69% | 0.691 | S | S | . | * | trans | -78.9 | 120.9 | 153.9 | 176.5 | -176.4 | -76.1 | 97.6 | -8.9 | 106.7 | W2 F923 V927 | W2-R925 VanDerWaalsContact CE2-CZ 3.42Å; W2-R925 VanDerWaalsContact CZ2-NE 3.31Å; F923-R925 PolarHBondContact O-N 3.32Å; R925-V927 PolarHBondContact O-N 3.09Å | ||
| 926 | N | 25.7 | Very low | 27.9 | Very low | 62 Ų | 62 | 134 Ų | 134 | 33% | 0.332 | 70% | 0.696 | S | S | . | * | trans | -57.5 | 108.3 | 176.5 | -61.8 | -44.8 | 0 | 0 | 0 | 109.9 | S1024 C1025 | N926-S1024 PolarHBondContact ND2-OG 3.23Å; N926-C1025 PolarHBondContact ND2-N 3.06Å; N926-C1025 PolarHBondContact ND2-O 2.8Å | ||
| 927 | V | 28.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 69% | 0.693 | S | S | * | * | trans | -81.3 | 120.1 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | R925 S929 | R925-V927 PolarHBondContact O-N 3.09Å; V927-S929 PolarHBondContact O-N 3.37Å | ||
| 928 | Y | 25.7 | Very low | 28 | Very low | 218 Ų | 218 | 130.1 Ų | 130.1 | 86% | 0.855 | 69% | 0.692 | S | S | * | * | trans | -73.1 | 79.3 | 163.3 | -97.6 | -86 | 0 | 0 | 0 | 108.6 | H930 | Y928-H930 PolarHBondContact O-N 3.08Š| ||
| 929 | S | 25.2 | Very low | 27.9 | Very low | 84 Ų | 84 | 131.2 Ų | 131.2 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | trans | -81.3 | 94.5 | 177.4 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | V927 S931 | V927-S929 PolarHBondContact O-N 3.37Å; S929-S931 PolarHBondContact O-N 3.43Å; S929-S931 VanDerWaalsContact O-N 3.15Å | ||
| 930 | H | 26.2 | Very low | 27.9 | Very low | 202 Ų | 202 | 133.7 Ų | 133.7 | 94% | 0.935 | 69% | 0.688 | S | S | * | * | trans | -78.9 | 90.8 | 163.1 | -118 | -61.2 | 0 | 0 | 0 | 108.9 | Y928 | Y928-H930 PolarHBondContact O-N 3.08Š| ||
| 931 | S | 26.8 | Very low | 27.9 | Very low | 73 Ų | 73 | 136 Ų | 136 | 51% | 0.51 | 70% | 0.696 | S | S | . | * | trans | -138.7 | 108.8 | -179.7 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | S929 | S929-S931 PolarHBondContact O-N 3.43Å; S929-S931 VanDerWaalsContact O-N 3.15Å | ||
| 932 | H | 26.8 | Very low | 27.9 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 69% | 0.69 | 70% | 0.696 | S | S | * | * | trans | 29.3 | 101.7 | 160.4 | -64.7 | -83.8 | 0 | 0 | 0 | 120 | ||||
| 933 | Y | 27.4 | Very low | 28 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 49% | 0.49 | 69% | 0.693 | S | S | . | * | trans | -150.8 | 158.3 | 140.5 | -72.7 | -60 | 0 | 0 | 0 | 107.8 | K560 | K560-Y933 VanDerWaalsContact CA-OH 3.28Å; K560-Y933 WeakPolarHBondContact CA-OH 3.33Å; K560-Y933 HydrophobicContact CD-CD1 4.37Å; K560-Y933 HydrophobicContact CD-CE1 3.53Å; K560-Y933 HydrophobicContact CD-CE2 4.14Å; K560-Y933 VanDerWaalsContact CD-CZ 3.46Å; K560-Y933 WeakPolarHBondContact CD-OH 3.38Å; K560-Y933 HydrophobicContact CG-CE1 3.68Å; K560-Y933 PolarHBondContact N-OH 2.7Å; K560-Y933 VanDerWaalsContact NZ-CD2 3.34Å; K560-Y933 VanDerWaalsContact NZ-CE2 3.29Å | ||
| 934 | F | 28.5 | Very low | 28.1 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | cis | -138 | 166.3 | -2.2 | -130.5 | -69.2 | 0 | 0 | 0 | 108.6 | H558 | H558-F934 AromaticContact CD2-CD1 3.74Å; H558-F934 AromaticContact CD2-CE1 3.77Å; H558-F934 VanDerWaalsContact CE1-C 3.5Å; H558-F934 AromaticContact NE2-CD1 3.05Å; H558-F934 WeakPolarHBondContact NE2-CD1 3.35Å; H558-F934 AromaticContact NE2-CE1 3.51Å; H558-F934 AromaticContact NE2-CG 3.72Å | ||
| 935 | S | 26.9 | Very low | 28.1 | Very low | 71 Ų | 71 | 135 Ų | 135 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | trans | -105.3 | 147.7 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 111.8 | H558 | H558-S935 VanDerWaalsContact CE1-CB 3.42Å; H558-S935 WeakPolarHBondContact CE1-CB 3.46Å; H558-S935 PolarHBondContact CE1-N 3.45Å; H558-S935 WeakPolarHBondContact ND1-CB 3.46Å; H558-S935 PolarHBondContact NE2-N 3Å | ||
| 936 | K | 31.3 | Very low | 28.3 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.787 | 70% | 0.704 | S | S | * | * | trans | -160.4 | 135.3 | 144.8 | -113.8 | -180 | 176.8 | -172.8 | 0 | 110.3 | ||||
| 937 | N | 27.2 | Very low | 28.4 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | trans | 33.3 | 144.3 | 143.3 | -50.2 | 15.8 | 0 | 0 | 0 | 119.1 | ||||
| 938 | E | 31.2 | Very low | 28.5 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 73% | 0.734 | S | S | * | * | cis | -133.1 | 180 | 31.1 | -75 | 174.5 | 127.3 | 0 | 0 | 114.5 | ||||
| 939 | S | 29.5 | Very low | 28.8 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | trans | -92.5 | 154 | -173.8 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 940 | Q | 28.5 | Very low | 29.1 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | trans | 26.8 | 118.9 | 145.7 | -63.9 | 167.8 | -86.4 | 0 | 0 | 118.1 | ||||
| 941 | D | 30.3 | Very low | 29.5 | Very low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 72% | 0.716 | S | S | * | * | -143.2 | 170.6 | 99.7 | -120 | -33.3 | 0 | 0 | 0 | 111.7 | |||||
| 942 | A | 29 | Very low | 30 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 71% | 0.706 | S | S | * | * | trans | -104.9 | 165.8 | -158.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 943 | N | 29 | Very low | 30.6 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | 99 | 158.8 | 146.8 | -145 | 3.8 | 0 | 0 | 0 | 119.4 | ||||
| 944 | M | 31.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | 78.9 | 140.5 | 174.2 | -54 | -48.7 | -177 | 0 | 0 | 119.6 | F424 | F424-M944 HydrophobicContact CE2-CB 4.47Å; F424-M944 HydrophobicContact CE2-CG 4.31Å; F424-M944 HydrophobicContact CE2-SD 4.29Å; F424-M944 HydrophobicContact CZ-CB 4.15Å; F424-M944 HydrophobicContact CZ-CG 4.09Å; F424-M944 HydrophobicContact CZ-SD 3.66Å | ||
| 945 | N | 27.6 | Very low | 31.9 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 69% | 0.688 | S | S | * | * | trans | -103.9 | 135.5 | -168.4 | -70.2 | -73.8 | 0 | 0 | 0 | 111.8 | ||||
| 946 | G | 31.9 | Very low | 32.6 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -142.7 | 99.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G948 | G946-G948 PolarHBondContact O-N 3.34Š| ||
| 947 | R | 27.8 | Very low | 33.1 | Very low | 250 Ų | 250 | 124 Ų | 124 | 94% | 0.943 | 67% | 0.674 | S | S | * | * | trans | -45.6 | 112 | 177.7 | -167.3 | -173.9 | -154.3 | 175.2 | 7.9 | 114.1 | ||||
| 948 | G | 31 | Very low | 33.8 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | trans | -142.5 | 147.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | G946 | G946-G948 PolarHBondContact O-N 3.34Š| ||
| 949 | Q | 31.1 | Very low | 34.7 | Very low | 197 Ų | 197 | 117.2 Ų | 117.2 | 92% | 0.921 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 134.9 | -171 | -60.9 | 177.9 | 6.8 | 0 | 0 | 112.5 | ||
| 950 | T | 32.8 | Very low | 35.6 | Very low | 86 Ų | 86 | 115.7 Ų | 115.7 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -85.9 | 117.5 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | R545 | R545-T950 PolarHBondContact NH2-O 3.43Š|
| 951 | A | 34.1 | Very low | 36.6 | Very low | 66 Ų | 66 | 110.3 Ų | 110.3 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 167.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R545 E955 | R545-A951 PolarHBondContact NH2-O 2.86Å; A951-E955 VanDerWaalsContact CB-OE1 3.29Å; A951-E955 WeakPolarHBondContact CB-OE1 3.17Å |
| 952 | S | 37.3 | Very low | 37.3 | Very low | 43 Ų | 43 | 105.9 Ų | 105.9 | 30% | 0.301 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -103.4 | 162.2 | -179.3 | 82.9 | 0 | 0 | 0 | 0 | 113.1 | N954 E955 | S952-N954 PolarHBondContact O-N 2.85Å; S952-N954 PolarHBondContact OG-N 2.98Å; S952-E955 VanDerWaalsContact CA-OE2 3.31Å; S952-E955 WeakPolarHBondContact CA-OE2 3.46Å; S952-E955 WeakPolarHBondContact CB-OE2 3.49Å; S952-E955 PolarHBondContact N-OE2 2.96Å; S952-E955 PolarHBondContact O-N 3.3Å; S952-E955 VanDerWaalsContact O-N 3.17Å; S952-E955 PolarHBondContact OG-OE2 3.29Å |
| 953 | E | 39.8 | Very low | 37.7 | Very low | 106 Ų | 106 | 106.1 Ų | 106.1 | 50% | 0.495 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | 4.8 | 176.8 | -154.8 | -174.8 | 103 | 0 | 0 | 113.3 | R544 | R544-E953 IonicContact CZ-OE1 2.68Å; R544-E953 IonicContact CZ-OE2 3.22Å; R544-E953 IonicContact NE-OE2 2.75Å; R544-E953 IonicContact NH1-OE1 3.66Å; R544-E953 PolarHBondContact NH1-OE1 3.33Å; R544-E953 IonicContact NH1-OE2 2.62Å; R544-E953 PolarHBondContact NH1-OE2 3.41Å; R544-E953 IonicContact NH2-OE1 3.58Å; R544-E953 PolarHBondContact NH2-OE1 2.9Å; R544-E953 IonicContact NH2-OE2 3.36Å; R544-E953 PolarHBondContact NH2-OE2 3.35Å |
| 954 | N | 38.4 | Very low | 38.2 | Very low | 98 Ų | 98 | 105.9 Ų | 105.9 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | -44.5 | 169.4 | -64.3 | -11.2 | 0 | 0 | 0 | 111.1 | S952 Y956 F957 D958 | S952-N954 PolarHBondContact O-N 2.85Å; S952-N954 PolarHBondContact OG-N 2.98Å; N954-Y956 PolarHBondContact O-N 3.44Å; N954-F957 WeakPolarHBondContact O-CA 3.26Å; N954-F957 WeakPolarHBondContact O-CB 3.44Å; N954-F957 PolarHBondContact O-N 2.97Å; N954-D958 PolarHBondContact O-N 3.41Å |
| 955 | E | 44.2 | Very low | 38.3 | Very low | 94 Ų | 94 | 103.4 Ų | 103.4 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.5 | -34.6 | -179.4 | -74.1 | 125.4 | 102.4 | 0 | 0 | 112.4 | A951 S952 F957 D958 R959 | A951-E955 VanDerWaalsContact CB-OE1 3.29Å; A951-E955 WeakPolarHBondContact CB-OE1 3.17Å; S952-E955 VanDerWaalsContact CA-OE2 3.31Å; S952-E955 WeakPolarHBondContact CA-OE2 3.46Å; S952-E955 WeakPolarHBondContact CB-OE2 3.49Å; S952-E955 PolarHBondContact N-OE2 2.96Å; S952-E955 PolarHBondContact O-N 3.3Å; S952-E955 VanDerWaalsContact O-N 3.17Å; S952-E955 PolarHBondContact OG-OE2 3.29Å; E955-F957 PolarHBondContact O-N 3.31Å; E955-D958 PolarHBondContact O-N 3.02Å; E955-R959 PolarHBondContact O-N 2.97Å |
| 956 | Y | 40.6 | Very low | 38.6 | Very low | 138 Ų | 138 | 100.5 Ų | 100.5 | 54% | 0.541 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.2 | -26.5 | 172.8 | -174.3 | -93.4 | 0 | 0 | 0 | 113.6 | N954 I960 | N954-Y956 PolarHBondContact O-N 3.44Å; Y956-I960 HydrophobicContact CD1-CD1 3.99Å; Y956-I960 HydrophobicContact CE1-CD1 3.44Å; Y956-I960 VanDerWaalsContact CE1-CD1 3.44Å; Y956-I960 WeakPolarHBondContact O-CD1 3.16Å; Y956-I960 WeakPolarHBondContact O-CG1 3.3Å |
| 957 | F | 42 | Very low | 38.7 | Very low | 99 Ų | 99 | 104.3 Ų | 104.3 | 43% | 0.434 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -83.5 | -25.8 | 173.4 | -103.6 | -81 | 0 | 0 | 0 | 112.9 | N954 E955 N961 | N954-F957 WeakPolarHBondContact O-CA 3.26Å; N954-F957 WeakPolarHBondContact O-CB 3.44Å; N954-F957 PolarHBondContact O-N 2.97Å; E955-F957 PolarHBondContact O-N 3.31Å; F957-N961 PolarHBondContact O-ND2 3.34Å |
| 958 | D | 43 | Very low | 39.3 | Very low | 102 Ų | 102 | 96.8 Ų | 96.8 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -82.2 | -38.5 | 177.1 | -64.9 | -38.4 | 0 | 0 | 0 | 111.1 | N954 E955 I960 N961 S962 | N954-D958 PolarHBondContact O-N 3.41Å; E955-D958 PolarHBondContact O-N 3.02Å; D958-I960 PolarHBondContact O-N 2.88Å; D958-N961 CarbonylContact O-C 3.57Å; D958-N961 WeakPolarHBondContact O-CA 3.08Å; D958-N961 PolarHBondContact O-N 2.71Å; D958-S962 PolarHBondContact O-N 3.02Å; D958-S962 PolarHBondContact O-OG 3.1Å |
| 959 | R | 48.9 | Very low | 39.4 | Very low | 82 Ų | 82 | 100.6 Ų | 100.6 | 31% | 0.309 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -49.9 | -55.7 | 167.8 | -91.6 | -166.2 | 178.6 | 143 | 5.9 | 112 | E681 E683 E955 N961 S962 D963 | E681-R959 IonicContact OE1-CZ 2.94Å; E681-R959 IonicContact OE1-NH1 2.98Å; E681-R959 IonicContact OE1-NH2 3.16Å; E681-R959 PolarHBondContact OE1-NH2 3.18Å; E681-R959 IonicContact OE2-CZ 2.7Å; E681-R959 IonicContact OE2-NH2 3.25Å; E681-R959 PolarHBondContact OE2-NH2 2.96Å; E683-R959 IonicContact OE1-NH1 2.73Å; E683-R959 PolarHBondContact OE1-NH1 3.37Å; E683-R959 WeakPolarHBondContact OE2-CD 3.47Å; E683-R959 IonicContact OE2-CZ 2.68Å; E683-R959 VanDerWaalsContact OE2-CZ 3.29Å; E683-R959 IonicContact OE2-NE 3.6Å; E683-R959 PolarHBondContact OE2-NE 2.98Å; E683-R959 IonicContact OE2-NH1 3.79Å; E683-R959 PolarHBondContact OE2-NH1 3.2Å; E955-R959 PolarHBondContact O-N 2.97Å; R959-N961 PolarHBondContact O-N 3.37Å; R959-S962 WeakPolarHBondContact CA-OG 3.33Å; R959-S962 WeakPolarHBondContact O-CA 3.33Å; R959-S962 PolarHBondContact O-N 2.75Å; R959-S962 PolarHBondContact O-OG 3.22Å; R959-D963 VanDerWaalsContact C-OD2 3.22Å; R959-D963 PolarHBondContact O-N 3.43Å |
| 960 | I | 49.4 | Very low | 39.5 | Very low | 65 Ų | 65 | 96.4 Ų | 96.4 | 33% | 0.333 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -58.7 | -11.3 | 178.3 | -69.4 | 174.7 | 0 | 0 | 0 | 114.1 | Y956 D958 | Y956-I960 HydrophobicContact CD1-CD1 3.99Å; Y956-I960 HydrophobicContact CE1-CD1 3.44Å; Y956-I960 VanDerWaalsContact CE1-CD1 3.44Å; Y956-I960 WeakPolarHBondContact O-CD1 3.16Å; Y956-I960 WeakPolarHBondContact O-CG1 3.3Å; D958-I960 PolarHBondContact O-N 2.88Å |
| 961 | N | 48.6 | Very low | 39.6 | Very low | 67 Ų | 67 | 98 Ų | 98 | 36% | 0.358 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -106.3 | -20 | 169.3 | -56.1 | -47.3 | 0 | 0 | 0 | 114.2 | F957 D958 R959 | F957-N961 PolarHBondContact O-ND2 3.34Å; D958-N961 CarbonylContact O-C 3.57Å; D958-N961 WeakPolarHBondContact O-CA 3.08Å; D958-N961 PolarHBondContact O-N 2.71Å; R959-N961 PolarHBondContact O-N 3.37Å |
| 962 | S | 44.8 | Very low | 39.5 | Very low | 79 Ų | 79 | 100.1 Ų | 100.1 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -81.3 | -26.7 | 170.4 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | D958 R959 L964 | D958-S962 PolarHBondContact O-N 3.02Å; D958-S962 PolarHBondContact O-OG 3.1Å; R959-S962 WeakPolarHBondContact CA-OG 3.33Å; R959-S962 WeakPolarHBondContact O-CA 3.33Å; R959-S962 PolarHBondContact O-N 2.75Å; R959-S962 PolarHBondContact O-OG 3.22Å; S962-L964 PolarHBondContact O-N 3.14Å |
| 963 | D | 38.3 | Very low | 39.2 | Very low | 94 Ų | 94 | 103.8 Ų | 103.8 | 50% | 0.503 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.1 | 37 | 179.4 | -47 | -21.7 | 0 | 0 | 0 | 112 | R959 | R959-D963 VanDerWaalsContact C-OD2 3.22Å; R959-D963 PolarHBondContact O-N 3.43Å |
| 964 | L | 39.1 | Very low | 38.9 | Very low | 130 Ų | 130 | 104.4 Ų | 104.4 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 15.7 | -179.9 | -82 | 170.2 | 0 | 0 | 0 | 111.7 | S962 | S962-L964 PolarHBondContact O-N 3.14Š|
| 965 | G | 34.6 | Very low | 38.5 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 78% | 0.784 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -151.8 | 20.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 966 | S | 33.7 | Very low | 37.9 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -125.6 | -33.7 | 179.3 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | A968 | S966-A968 PolarHBondContact O-N 3.32Å; S966-A968 VanDerWaalsContact O-N 3.11Å |
| 967 | D | 33.6 | Very low | 37.6 | Very low | 158 Ų | 158 | 110.5 Ų | 110.5 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | trans | -93.8 | 76.1 | -164 | -61.9 | 11.9 | 0 | 0 | 0 | 111.4 | ||||
| 968 | A | 39.8 | Very low | 37 | Very low | 93 Ų | 93 | 114.7 Ų | 114.7 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | trans | -135.7 | 92.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S966 | S966-A968 PolarHBondContact O-N 3.32Å; S966-A968 VanDerWaalsContact O-N 3.11Å | ||
| 969 | D | 33.9 | Very low | 36.2 | Very low | 151 Ų | 151 | 114.9 Ų | 114.9 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | trans | -151.3 | 138.6 | 169.3 | -133.7 | -38.8 | 0 | 0 | 0 | 113.9 | ||||
| 970 | S | 32.5 | Very low | 35.3 | Very low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | 54.9 | 80.1 | 152.8 | -64.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 971 | S | 34.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | -157.2 | 111.4 | 124.2 | 72.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 972 | S | 32.1 | Very low | 33.5 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -36.7 | 134.1 | 175.9 | 53 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 973 | C | 31.3 | Very low | 32.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | -172.7 | 158.5 | 105.5 | -100.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 974 | P | 34.1 | Very low | 32.2 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -91.1 | 167.9 | -149.5 | 35.3 | -38.3 | 0 | 0 | 0 | 116.6 | ||||
| 975 | D | 29.1 | Very low | 31.6 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -65.5 | 153.3 | 171 | -51.2 | -93.3 | 0 | 0 | 0 | 113.7 | ||||
| 976 | E | 31.9 | Very low | 31.3 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | -168.4 | 159.6 | 121.5 | -117.3 | -179.6 | -154 | 0 | 0 | 114.6 | |||||
| 977 | V | 33.3 | Very low | 31.3 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 53.2 | 97.5 | 162 | -174.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 978 | E | 30.9 | Very low | 31.1 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | 33.5 | 168.7 | 120.6 | -154.8 | 142.6 | -151.9 | 0 | 0 | 124 | |||||
| 979 | S | 25 | Very low | 30.4 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -90 | 146.4 | -162.5 | -53.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 980 | P | 31.4 | Very low | 30.3 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -97.8 | 126.7 | 151.4 | 32.8 | -28.3 | 0 | 0 | 0 | 111.8 | ||||
| 981 | S | 28.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -77.7 | 179 | 161.3 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 982 | Q | 31.3 | Very low | 29.9 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -64.5 | 141.8 | -176.6 | -67.7 | 176.2 | -112.1 | 0 | 0 | 112 | ||||
| 983 | P | 29.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -69.6 | 147 | 177.5 | 30.2 | -35.4 | 0 | 0 | 0 | 111.6 | ||||
| 984 | R | 25.9 | Very low | 29.9 | Very low | 233 Ų | 233 | 151.7 Ų | 151.7 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -107.7 | 166.6 | 156.2 | -119 | -178.2 | -178.3 | 166.1 | -0.1 | 109.2 | ||||
| 985 | E | 26.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 153.7 Ų | 153.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -76.5 | 157.2 | -160.2 | -64.2 | 138.9 | 118.1 | 0 | 0 | 115.4 | ||||
| 986 | N | 29.6 | Very low | 29.9 | Very low | 146 Ų | 146 | 150.8 Ų | 150.8 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 82.7 | 157.7 | 148.3 | -62.9 | -19.1 | 0 | 0 | 0 | 121.6 | ||||
| 987 | E | 32.1 | Very low | 29.7 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 82.9 | 101.9 | 163.7 | -50.2 | -130.3 | 118 | 0 | 0 | 118.6 | ||||
| 988 | L | 29.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 150.5 Ų | 150.5 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 43.4 | 112 | 139.7 | -64.6 | 125.4 | 0 | 0 | 0 | 118.2 | ||||
| 989 | R | 25.2 | Very low | 29.6 | Very low | 225 Ų | 225 | 147.7 Ų | 147.7 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | 41.9 | 107.6 | 89.3 | -80.4 | -170 | 168.8 | -151.5 | -0.4 | 113.3 | |||||
| 990 | N | 33 | Very low | 30.1 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | -159.7 | 145.5 | 112.3 | -95.5 | -13.6 | 0 | 0 | 0 | 112.1 | |||||
| 991 | W | 27.5 | Very low | 30.2 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | 32.9 | 137.4 | 135 | -62.6 | 66.1 | 0 | 0 | 0 | 120 | ||||
| 992 | Q | 31 | Very low | 30.6 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 57% | 0.565 | 74% | 0.739 | S | S | * | * | cis | -175.7 | -179.4 | -13.1 | -142.3 | 179.3 | 15 | 0 | 0 | 108.7 | ||||
| 993 | H | 32.8 | Very low | 30.5 | Very low | 154 Ų | 154 | 146.1 Ų | 146.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 66.8 | 157.1 | 157.3 | -72.3 | -61.5 | 0 | 0 | 0 | 119.8 | ||||
| 994 | S | 29.7 | Very low | 30.5 | Very low | 74 Ų | 74 | 144.3 Ų | 144.3 | 52% | 0.517 | 73% | 0.732 | S | S | . | * | -178.7 | 140.1 | -67.1 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 995 | N | 31.8 | Very low | 30.7 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | trans | 64.4 | 176.7 | 162.3 | -42.2 | -26 | 0 | 0 | 0 | 113.6 | ||||
| 996 | S | 31.5 | Very low | 30.8 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | cis | -148.5 | 132 | 0.1 | 70.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 997 | M | 28.4 | Very low | 30.9 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | 91.5 | 164.8 | 83.4 | -162.7 | 173.2 | 95.9 | 0 | 0 | 113.1 | |||||
| 998 | L | 32.9 | Very low | 30.6 | Very low | 135 Ų | 135 | 137 Ų | 137 | 71% | 0.707 | 71% | 0.713 | S | S | * | * | trans | 83.2 | 136.5 | 172.2 | -52.3 | 174.3 | 0 | 0 | 0 | 117.1 | ||||
| 999 | D | 30.4 | Very low | 30.8 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | cis | -164.2 | -171.8 | -28.3 | -138.4 | -30.4 | 0 | 0 | 0 | 111.9 | ||||
| 1000 | V | 34.8 | Very low | 31 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 71% | 0.712 | S | S | * | * | trans | 80.9 | 102.2 | 173 | -167.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1001 | N | 32.6 | Very low | 31 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | cis | 84.9 | 160.2 | 31 | -138.9 | 31.9 | 0 | 0 | 0 | 113 | ||||
| 1002 | P | 37.5 | Very low | 31.2 | Very low | 81 Ų | 81 | 132 Ų | 132 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | -130.4 | -159.6 | -85.8 | 42.2 | -27.2 | 0 | 0 | 0 | 114 | |||||
| 1003 | D | 30.2 | Very low | 31.1 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | 67.4 | 167.6 | 154.4 | -70.5 | -11.6 | 0 | 0 | 0 | 118.6 | ||||
| 1004 | A | 28.7 | Very low | 31.1 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | cis | -161.7 | -156.7 | -36.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1005 | A | 29.2 | Very low | 31.1 | Very low | 91 Ų | 91 | 138.5 Ų | 138.5 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | -6.8 | 149.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1006 | E | 28.7 | Very low | 31.1 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | cis | -177.1 | -166.4 | 26.4 | -145.6 | -168.1 | 126.6 | 0 | 0 | 111.9 | ||||
| 1007 | K | 31.5 | Very low | 31 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 67% | 0.67 | 72% | 0.716 | S | S | * | * | trans | 77.9 | 100.3 | 145.6 | -81.1 | 153.1 | -178.2 | 134.8 | 0 | 122.3 | ||||
| 1008 | F | 26.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 131.5 Ų | 131.5 | 77% | 0.772 | 71% | 0.714 | S | S | * | * | 47.9 | 108.4 | 120.2 | -77.2 | -83.1 | 0 | 0 | 0 | 121.3 | |||||
| 1009 | R | 32.9 | Very low | 31 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | -172.9 | 96.4 | 126.2 | -99 | 156.4 | -173.4 | -167 | 2.7 | 108.8 | |||||
| 1010 | T | 30.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | 72.1 | 147.3 | 82.9 | 59.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1011 | V | 32.2 | Very low | 30.5 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 75% | 0.745 | 71% | 0.713 | S | S | * | * | trans | 86.1 | 98.6 | 167.6 | -170.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1012 | N | 31.9 | Very low | 30.2 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | 44.3 | 158.2 | 127.2 | -64.7 | -37.5 | 0 | 0 | 0 | 123.3 | |||||
| 1013 | K | 30.3 | Very low | 29.7 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | cis | -179 | 142.5 | -29.2 | -157.2 | 169.2 | -168.2 | 169.6 | 0 | 106.5 | ||||
| 1014 | K | 31.1 | Very low | 29.8 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 78% | 0.783 | 71% | 0.708 | S | S | * | * | trans | 67.9 | 157.2 | -176.9 | -51.2 | 172.7 | 171.7 | -176.7 | 0 | 112.5 | ||||
| 1015 | Q | 30.6 | Very low | 29.7 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | cis | -158.4 | 166.7 | -11.8 | -120 | 164.7 | -110.8 | 0 | 0 | 108.3 | S702 | S702-Q1015 PolarHBondContact OG-O 3.31Š| ||
| 1016 | V | 31.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | cis | -140.3 | -147 | 2.1 | 64 | 0 | 0 | 0 | 0 | 109.5 | V703 | V703-V1016 HydrophobicContact CG1-CG1 4.28Å; V703-V1016 HydrophobicContact CG2-CG1 3.88Å | ||
| 1017 | S | 29.2 | Very low | 29.8 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -62.8 | 159.5 | 169.9 | -145.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1018 | G | 30.1 | Very low | 29.7 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | cis | 130.5 | 165.6 | 48.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1019 | R | 31.1 | Very low | 29.9 | Very low | 243 Ų | 243 | 139.7 Ų | 139.7 | 92% | 0.917 | 72% | 0.715 | S | S | * | * | cis | -145.3 | 167.2 | 5 | -178.4 | 172 | 178.8 | 163.7 | -0.1 | 108.7 | ||||
| 1020 | S | 27.2 | Very low | 29.6 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | trans | -71.4 | 174.8 | -174.4 | 50.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1021 | D | 26.7 | Very low | 29.5 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | trans | 94.4 | 159.9 | 153 | -54.5 | -57.2 | 0 | 0 | 0 | 119.8 | ||||
| 1022 | Y | 26.2 | Very low | 29.6 | Very low | 201 Ų | 201 | 137 Ų | 137 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | 71.9 | 72.7 | 176.7 | -56.1 | -79.8 | 0 | 0 | 0 | 118.4 | ||||
| 1023 | H | 28.2 | Very low | 29.6 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | S | Bend | -138.1 | 118.1 | 128.1 | -139.6 | -101.7 | 0 | 0 | 0 | 115.2 | |||
| 1024 | S | 31 | Very low | 29.4 | Very low | 43 Ų | 43 | 135.2 Ų | 135.2 | 30% | 0.301 | 71% | 0.707 | S | S | . | * | trans | 53.3 | 78.8 | 156.5 | -161.8 | 0 | 0 | 0 | 0 | 119.5 | N926 I1026 | N926-S1024 PolarHBondContact ND2-OG 3.23Å; S1024-I1026 PolarHBondContact O-N 3.23Å; S1024-I1026 VanDerWaalsContact O-N 3.14Å | ||
| 1025 | C | 28.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | trans | -59.7 | 111.6 | 161.7 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | N926 S1027 | N926-C1025 PolarHBondContact ND2-N 3.06Å; N926-C1025 PolarHBondContact ND2-O 2.8Å; C1025-S1027 PolarHBondContact O-N 3.38Å | ||
| 1026 | I | 28.2 | Very low | 29.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | trans | -75.6 | 80.5 | 160.3 | -64.6 | 175.4 | 0 | 0 | 0 | 107.7 | S1024 K1028 | S1024-I1026 PolarHBondContact O-N 3.23Å; S1024-I1026 VanDerWaalsContact O-N 3.14Å; I1026-K1028 PolarHBondContact O-N 3.15Å | ||
| 1027 | S | 30.2 | Very low | 29.2 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 72% | 0.715 | S | S | * | * | trans | -75.7 | 97.6 | -172.4 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | C1025 | C1025-S1027 PolarHBondContact O-N 3.38Š| ||
| 1028 | K | 29.5 | Very low | 29.1 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | trans | 65.8 | 102.7 | 138.1 | -57.5 | -172.3 | -179.7 | -177.3 | 0 | 118 | I1026 | I1026-K1028 PolarHBondContact O-N 3.15Š| ||
| 1029 | H | 30.7 | Very low | 29 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | 60.3 | 113.2 | 122.3 | -64.3 | -77.5 | 0 | 0 | 0 | 120.2 | |||||
| 1030 | Y | 27.4 | Very low | 28.8 | Very low | 218 Ų | 218 | 132.7 Ų | 132.7 | 86% | 0.855 | 71% | 0.71 | S | S | * | * | -141.6 | 90.3 | 111.2 | -121.5 | -83.3 | 0 | 0 | 0 | 110.2 | |||||
| 1031 | C | 29 | Very low | 28.8 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | trans | -116.2 | 100.8 | 164.9 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | K1033 | C1031-K1033 PolarHBondContact O-N 2.95Å; C1031-K1033 VanDerWaalsContact O-N 3.11Å | ||
| 1032 | P | 33.5 | Very low | 28.7 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | trans | -78.2 | 97.1 | -178.5 | 30.2 | -32.3 | 0 | 0 | 0 | 110.7 | ||||
| 1033 | K | 31.6 | Very low | 28.8 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 64% | 0.635 | 72% | 0.717 | S | S | * | * | trans | 61.7 | 82 | 161.7 | -54.7 | 176.8 | -176.3 | 177.1 | 0 | 116.6 | C1031 S1120 | C1031-K1033 PolarHBondContact O-N 2.95Å; C1031-K1033 VanDerWaalsContact O-N 3.11Å; K1033-S1120 PolarHBondContact NZ-OG 3.22Å | ||
| 1034 | C | 26.4 | Very low | 28.9 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -101.6 | 89.5 | 142.6 | -66.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1035 | S | 27.9 | Very low | 28.9 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | -166.9 | 146.5 | 169 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1036 | S | 29.6 | Very low | 29 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 62.1 | 127.6 | -166.7 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1037 | H | 32.4 | Very low | 29 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | cis | -124.1 | 138.1 | -6.7 | -95.4 | -88.1 | 0 | 0 | 0 | 110.9 | ||||
| 1038 | L | 25.6 | Very low | 29 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -69.8 | 125.4 | 141.9 | -161.2 | 86.7 | 0 | 0 | 0 | 105.8 | ||||
| 1039 | N | 29.1 | Very low | 29 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | -164.3 | 100.2 | 160.6 | -107.2 | 0.6 | 0 | 0 | 0 | 108.8 | F1041 | N1039-F1041 HydrophobicContact CB-CD2 4.24Å; N1039-F1041 PolarHBondContact O-N 3.43Å | ||
| 1040 | V | 25.9 | Very low | 29 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | trans | -70.8 | 121.2 | 159.2 | 172.1 | 0 | 0 | 0 | 0 | 106.4 | L1042 | V1040-L1042 HydrophobicContact CG1-CD1 4.02Š| ||
| 1041 | F | 26.9 | Very low | 28.8 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | -124.5 | 90.2 | 168.7 | -105.2 | -91.4 | 0 | 0 | 0 | 109 | N1039 | N1039-F1041 HydrophobicContact CB-CD2 4.24Å; N1039-F1041 PolarHBondContact O-N 3.43Å | ||
| 1042 | L | 25.9 | Very low | 28.9 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -71.6 | 137.7 | 152.8 | -97.5 | 65.8 | 0 | 0 | 0 | 107.8 | V1040 | V1040-L1042 HydrophobicContact CG1-CD1 4.02Š| ||
| 1043 | S | 27.3 | Very low | 28.7 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -166.6 | 143.9 | 174.1 | -86.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1044 | P | 31.4 | Very low | 28.4 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | -136.9 | 165.2 | -91 | 38.6 | -25.3 | 0 | 0 | 0 | 115.1 | |||||
| 1045 | T | 29.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -149.1 | 126.8 | 158.1 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1046 | T | 30.9 | Very low | 29 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | 32.5 | 131.3 | 142.7 | 56.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1047 | D | 28.4 | Very low | 28.9 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | cis | -163.8 | 164.8 | 14.1 | -120.5 | -37.7 | 0 | 0 | 0 | 114.5 | ||||
| 1048 | S | 28.9 | Very low | 28.7 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | 66.6 | 143.7 | 162.9 | 74.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1049 | G | 30 | Very low | 28.8 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 120 | 64.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1050 | Q | 30.3 | Very low | 29 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | 54.5 | 155.4 | 143.7 | -72.7 | -179.1 | -26.6 | 0 | 0 | 121.3 | ||||
| 1051 | M | 24.5 | Very low | 29.2 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | cis | -169.7 | 147.6 | -36 | -130.2 | 168.5 | 72.3 | 0 | 0 | 107.3 | ||||
| 1052 | N | 30.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 65.2 | 165.4 | 162.2 | -58.5 | -3.2 | 0 | 0 | 0 | 115.3 | ||||
| 1053 | S | 28.8 | Very low | 29.7 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 71% | 0.709 | S | S | * | * | cis | -152.5 | 123.2 | -13.5 | 166 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1054 | F | 25.9 | Very low | 29.9 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 80% | 0.803 | 71% | 0.705 | S | S | * | * | 74.1 | 157.2 | 90.3 | -133 | -122.6 | 0 | 0 | 0 | 113.4 | |||||
| 1055 | D | 33.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 128 Ų | 128 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | trans | 70.6 | 146.9 | 165.4 | -55.7 | -35.5 | 0 | 0 | 0 | 121.7 | ||||
| 1056 | D | 32.6 | Very low | 30 | Very low | 126 Ų | 126 | 130 Ų | 130 | 67% | 0.674 | 70% | 0.704 | S | S | * | * | cis | -167.1 | 175.2 | -37.1 | -144.9 | -16.1 | 0 | 0 | 0 | 111.6 | ||||
| 1057 | L | 27.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | trans | 58.5 | 155.5 | 152.2 | -94.3 | 71.8 | 0 | 0 | 0 | 120.5 | ||||
| 1058 | K | 29.1 | Very low | 29.9 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | cis | -169.6 | 142.1 | -33.1 | -120.9 | -170.9 | -165.4 | 158.1 | 0 | 111.5 | ||||
| 1059 | C | 28 | Very low | 29.6 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | trans | 54.9 | 176.2 | 139.1 | -66.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1060 | V | 31.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | trans | 87 | 122.3 | 157.7 | -171.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1061 | M | 31.8 | Very low | 29.4 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 66% | 0.655 | 69% | 0.69 | S | S | * | * | cis | -157.3 | 138.3 | -15 | -116.1 | 178.8 | -150.8 | 0 | 0 | 111.8 | ||||
| 1062 | N | 30.1 | Very low | 29.6 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | trans | -23 | 171 | 142.6 | -163 | 11.9 | 0 | 0 | 0 | 118.2 | D903 | D903-N1062 PolarHBondContact OD2-N 3.49Š| ||
| 1063 | N | 33 | Very low | 29.6 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | trans | 112.8 | 144.7 | 170.5 | -59.3 | -33.9 | 0 | 0 | 0 | 115 | ||||
| 1064 | N | 29.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | cis | -168.3 | 175.1 | -27.6 | -101.1 | -20.3 | 0 | 0 | 0 | 109.1 | ||||
| 1065 | H | 33.2 | Very low | 29.7 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | trans | 69 | 151.6 | 159.7 | -56.4 | -57.5 | 0 | 0 | 0 | 119.1 | ||||
| 1066 | Q | 31.8 | Very low | 29.7 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | cis | -159.8 | 166.2 | -29.8 | -164.7 | 142.8 | -39.1 | 0 | 0 | 111.2 | ||||
| 1067 | K | 24.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 76% | 0.761 | 69% | 0.687 | S | S | * | * | trans | -61.6 | 162.6 | 165.8 | -163.1 | 167.5 | 179.3 | -168.8 | 0 | 110.9 | ||||
| 1068 | P | 31.6 | Very low | 29.6 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | cis | -120.3 | -179.4 | 29.6 | 9.7 | 18.6 | 0 | 0 | 0 | 115.2 | ||||
| 1069 | T | 23.9 | Very low | 29.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 62% | 0.62 | 69% | 0.692 | S | S | * | * | cis | 95.5 | 150.6 | 33 | -42.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1070 | E | 28.6 | Very low | 29.6 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | 70.9 | 150.4 | -178.2 | -72.6 | 143 | -125.7 | 0 | 0 | 117.2 | ||||
| 1071 | S | 27.6 | Very low | 29.6 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | cis | -169 | 150.2 | -17.7 | 51.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1072 | H | 27.8 | Very low | 29.5 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | trans | 65.3 | 166.5 | 154.3 | -79.9 | -143.3 | 0 | 0 | 0 | 117.2 | ||||
| 1073 | E | 30.8 | Very low | 29.3 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | cis | -159.5 | 153.5 | 2.7 | -125.3 | 158.5 | -142.9 | 0 | 0 | 111.5 | ||||
| 1074 | L | 27.7 | Very low | 29 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | 56.1 | 162.6 | 155.6 | -50.8 | 167.5 | 0 | 0 | 0 | 118.2 | ||||
| 1075 | Y | 29.1 | Very low | 29 | Very low | 181 Ų | 181 | 135.8 Ų | 135.8 | 71% | 0.71 | 73% | 0.726 | S | S | * | * | cis | -155.3 | 162.5 | -6.9 | -135.2 | -145 | 0 | 0 | 0 | 105.8 | ||||
| 1076 | E | 32.8 | Very low | 28.9 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -149.8 | -178.3 | 0.3 | -159.8 | 170 | -166.8 | 0 | 0 | 109 | ||||
| 1077 | S | 26.5 | Very low | 28.8 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -69.1 | 174.2 | 178.4 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1078 | V | 31 | Very low | 29.2 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | -156.7 | 128.5 | 80.8 | 157.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1079 | Q | 30 | Very low | 29.1 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | trans | 27.8 | 151 | 137.9 | -68.4 | 158.9 | -27.4 | 0 | 0 | 121.9 | ||||
| 1080 | S | 28.5 | Very low | 29.2 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | cis | -176.1 | 151.8 | -5.8 | 47.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1081 | V | 31.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 63.1 | 124.7 | 138.3 | 174.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1082 | N | 29 | Very low | 29.1 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | 3.2 | 141.2 | 149.4 | -52.4 | 15 | 0 | 0 | 0 | 122.7 | ||||
| 1083 | D | 26.3 | Very low | 29.2 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | 41.6 | 144.3 | 124.7 | -48.7 | -30.9 | 0 | 0 | 0 | 123.9 | |||||
| 1084 | N | 26.6 | Very low | 29 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | 74.5 | 122.3 | 161.7 | -54.1 | -60.5 | 0 | 0 | 0 | 117.3 | ||||
| 1085 | G | 31.4 | Very low | 29 | Very low | 73 Ų | 73 | 136 Ų | 136 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 163.6 | 66.5 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1086 | K | 29.7 | Very low | 29 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 21.9 | 130.6 | 139.4 | -73 | -179.7 | 177.6 | 179.3 | 0 | 120.3 | ||||
| 1087 | N | 30.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 68% | 0.684 | 76% | 0.764 | S | S | * | * | trans | 74.7 | 154.4 | 139.2 | -57.3 | 20.5 | 0 | 0 | 0 | 116.2 | ||||
| 1088 | E | 32.3 | Very low | 28.8 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | cis | -157.1 | 153.8 | 6.1 | -136.9 | 151.8 | -114.2 | 0 | 0 | 113.4 | ||||
| 1089 | S | 29.2 | Very low | 28.6 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 71.3 | 160.7 | 153.7 | 79.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1090 | L | 27.8 | Very low | 28.6 | Very low | 154 Ų | 154 | 139 Ų | 139 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | 52.3 | 81.4 | 163.6 | -70.9 | 157.8 | 0 | 0 | 0 | 116.6 | ||||
| 1091 | S | 27 | Very low | 28.8 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | cis | 77.7 | 123.7 | 42.6 | 96.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1092 | S | 27.1 | Very low | 28.6 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | 89.7 | 134.3 | 160 | 86.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1093 | V | 28.9 | Very low | 28.6 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 59.2 | 67.5 | 157.7 | -154.8 | 0 | 0 | 0 | 0 | 119.3 | ||
| 1094 | H | 27.1 | Very low | 28.7 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | -166.7 | 48.2 | 141.9 | -124.8 | -71.4 | 0 | 0 | 0 | 119.5 | ||||
| 1095 | E | 28.2 | Very low | 29 | Very low | 181 Ų | 181 | 142.7 Ų | 142.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -153.5 | 106.6 | 160.7 | -137.6 | 174.3 | -153.3 | 0 | 0 | 114.2 | ||||
| 1096 | E | 27.4 | Very low | 28.8 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -155.3 | 162.2 | 165.9 | -141.7 | 173.6 | -177.1 | 0 | 0 | 110.6 | ||||
| 1097 | I | 29.2 | Very low | 28.8 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 62.3 | 34.3 | -168.7 | -31.6 | -179.2 | 0 | 0 | 0 | 113.9 | ||
| 1098 | L | 27 | Very low | 28.9 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -134.2 | 13.4 | 166 | -128.1 | 175.3 | 0 | 0 | 0 | 116.1 | ||
| 1099 | H | 26.9 | Very low | 28.7 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -151.8 | 118.6 | 154.1 | -119.6 | -96 | 0 | 0 | 0 | 111 | D1102 | H1099-D1102 IonicContact CE1-OD2 3.26Å; H1099-D1102 PolarHBondContact CE1-OD2 3.39Å; H1099-D1102 VanDerWaalsContact CE1-OD2 3.26Å; H1099-D1102 IonicContact ND1-OD2 3.08Å; H1099-D1102 PolarHBondContact ND1-OD2 3.49Å; H1099-D1102 VanDerWaalsContact ND1-OD2 3.08Å | ||
| 1100 | S | 30.3 | Very low | 28.7 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -171 | 116.5 | 179.4 | -75.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1101 | I | 32.5 | Very low | 28.8 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -133.8 | 127.9 | -5.2 | -75 | 166.8 | 0 | 0 | 0 | 106.9 | ||||
| 1102 | D | 26.8 | Very low | 28.8 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | trans | -75 | 132.7 | 159.2 | -71.6 | -83.5 | 0 | 0 | 0 | 109 | H1099 | H1099-D1102 IonicContact CE1-OD2 3.26Å; H1099-D1102 PolarHBondContact CE1-OD2 3.39Å; H1099-D1102 VanDerWaalsContact CE1-OD2 3.26Å; H1099-D1102 IonicContact ND1-OD2 3.08Å; H1099-D1102 PolarHBondContact ND1-OD2 3.49Å; H1099-D1102 VanDerWaalsContact ND1-OD2 3.08Å | ||
| 1103 | F | 28.4 | Very low | 28.9 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -160.8 | 125.7 | 151.6 | -131.6 | -100.7 | 0 | 0 | 0 | 111.5 | ||||
| 1104 | E | 28.6 | Very low | 29.2 | Very low | 160 Ų | 160 | 149 Ų | 149 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 59 | 144 | 152.7 | -80.6 | -171.5 | 146.2 | 0 | 0 | 122.3 | ||||
| 1105 | V | 34.1 | Very low | 29.6 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | cis | -125.5 | 152.5 | -4.5 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1106 | K | 26.6 | Very low | 29.8 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -59.7 | 179.6 | 170.4 | -97.2 | 172.7 | 173.1 | 170.7 | 0 | 115.5 | ||||
| 1107 | E | 30.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | trans | 86.9 | 141 | 154.1 | -73.9 | -152 | 106.5 | 0 | 0 | 120.8 | ||||
| 1108 | K | 31.4 | Very low | 30 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 67% | 0.67 | 71% | 0.708 | S | S | * | * | trans | 55.8 | 95 | 157.8 | -65.9 | 150.4 | -173.9 | 149.7 | 0 | 114.6 | ||||
| 1109 | L | 28.3 | Very low | 30.4 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | cis | 55.7 | 56.5 | 23.3 | -159.5 | 74.1 | 0 | 0 | 0 | 114.6 | ||||
| 1110 | S | 28.5 | Very low | 30.5 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | trans | -145.9 | -175.7 | 146.6 | 69.8 | 0 | 0 | 0 | 0 | 109.5 | N1112 | S1110-N1112 VanDerWaalsContact C-N 3.32Å; S1110-N1112 PolarHBondContact O-N 2.83Å; S1110-N1112 VanDerWaalsContact O-N 3.14Å | ||
| 1111 | D | 30.4 | Very low | 30.4 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 70% | 0.695 | 69% | 0.693 | S | S | * | * | trans | 60.8 | 24.3 | 167.6 | -68.3 | 24.7 | 0 | 0 | 0 | 118.1 | Q1113 | D1111-Q1113 PolarHBondContact O-N 3.28Š| ||
| 1112 | N | 27.1 | Very low | 30.3 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 50.7 | 175.3 | -149.6 | -2.8 | 0 | 0 | 0 | 113.6 | S1110 | S1110-N1112 VanDerWaalsContact C-N 3.32Å; S1110-N1112 PolarHBondContact O-N 2.83Å; S1110-N1112 VanDerWaalsContact O-N 3.14Å |
| 1113 | Q | 30.2 | Very low | 30.4 | Very low | 156 Ų | 156 | 138 Ų | 138 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | -13.4 | 171.2 | -115.3 | -163.2 | 82.1 | 0 | 0 | 115.8 | D1111 | D1111-Q1113 PolarHBondContact O-N 3.28Š|
| 1114 | V | 34 | Very low | 30.6 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 44% | 0.442 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.6 | -37.4 | -171.3 | 174.4 | 0 | 0 | 0 | 0 | 113.1 | K1116 R1117 N1118 | V1114-K1116 VanDerWaalsContact C-N 3.27Å; V1114-K1116 PolarHBondContact O-N 3.32Å; V1114-K1116 VanDerWaalsContact O-N 3.14Å; V1114-R1117 PolarHBondContact O-N 3.11Å; V1114-N1118 VanDerWaalsContact CG1-ND2 3.26Å; V1114-N1118 WeakPolarHBondContact CG1-ND2 3.29Å; V1114-N1118 PolarHBondContact O-N 2.71Å; V1114-N1118 PolarHBondContact O-OD1 3.3Å |
| 1115 | T | 36.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 63% | 0.632 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.4 | -18.6 | -171.5 | 46.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1116 | K | 32.8 | Very low | 30.3 | Very low | 200 Ų | 200 | 135.2 Ų | 135.2 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -86.3 | -0.1 | 172.7 | -120 | 169.3 | -172.1 | 166.1 | 0 | 114.9 | V1114 | V1114-K1116 VanDerWaalsContact C-N 3.27Å; V1114-K1116 PolarHBondContact O-N 3.32Å; V1114-K1116 VanDerWaalsContact O-N 3.14Å |
| 1117 | R | 29.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 59% | 0.585 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -110.1 | -29.6 | 167.8 | -69.4 | -176 | 175.4 | 107 | -8.1 | 112.7 | V1114 V1119 S1120 K1121 | V1114-R1117 PolarHBondContact O-N 3.11Å; R1117-V1119 PolarHBondContact O-N 3.34Å; R1117-S1120 CarbonylContact O-C 3.59Å; R1117-S1120 WeakPolarHBondContact O-CA 3.23Å; R1117-S1120 PolarHBondContact O-N 2.73Å; R1117-S1120 PolarHBondContact O-OG 2.99Å; R1117-K1121 PolarHBondContact O-N 3.31Å |
| 1118 | N | 31.1 | Very low | 30.6 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 43% | 0.428 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -73.2 | -20.4 | -170.1 | -74.5 | 16.1 | 0 | 0 | 0 | 116.2 | V1114 S1120 K1121 I1122 | V1114-N1118 VanDerWaalsContact CG1-ND2 3.26Å; V1114-N1118 WeakPolarHBondContact CG1-ND2 3.29Å; V1114-N1118 PolarHBondContact O-N 2.71Å; V1114-N1118 PolarHBondContact O-OD1 3.3Å; N1118-S1120 PolarHBondContact O-N 3.32Å; N1118-K1121 CarbonylContact O-C 3.51Å; N1118-K1121 PolarHBondContact O-N 3.33Å; N1118-K1121 VanDerWaalsContact O-N 3.17Å; N1118-I1122 WeakPolarHBondContact O-CG1 3.47Å; N1118-I1122 PolarHBondContact O-N 3.18Å |
| 1119 | V | 34.4 | Very low | 30.6 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -6.6 | 166.7 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | R1117 | R1117-V1119 PolarHBondContact O-N 3.34Š|
| 1120 | S | 29.9 | Very low | 30.5 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 46% | 0.462 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.7 | 15.6 | 167.9 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | K1033 R1117 N1118 | K1033-S1120 PolarHBondContact NZ-OG 3.22Å; R1117-S1120 CarbonylContact O-C 3.59Å; R1117-S1120 WeakPolarHBondContact O-CA 3.23Å; R1117-S1120 PolarHBondContact O-N 2.73Å; R1117-S1120 PolarHBondContact O-OG 2.99Å; N1118-S1120 PolarHBondContact O-N 3.32Å |
| 1121 | K | 28.4 | Very low | 30.7 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | trans | -146.9 | 32.4 | 177.7 | -86.8 | -154.1 | 173.4 | -166 | 0 | 113.6 | R1117 N1118 Q1123 | R1117-K1121 PolarHBondContact O-N 3.31Å; N1118-K1121 CarbonylContact O-C 3.51Å; N1118-K1121 PolarHBondContact O-N 3.33Å; N1118-K1121 VanDerWaalsContact O-N 3.17Å; K1121-Q1123 PolarHBondContact O-N 3.19Å | ||
| 1122 | I | 30.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | trans | -73.7 | 85 | 162.2 | -54.2 | -172.5 | 0 | 0 | 0 | 108 | N1118 I1124 | N1118-I1122 WeakPolarHBondContact O-CG1 3.47Å; N1118-I1122 PolarHBondContact O-N 3.18Å; I1122-I1124 HydrophobicContact CG2-CG1 4.1Å; I1122-I1124 PolarHBondContact O-N 3.12Å | ||
| 1123 | Q | 28.7 | Very low | 30.7 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | trans | -69.6 | 101.5 | 163.6 | -74.7 | 171.7 | -115.1 | 0 | 0 | 108.1 | K1121 | K1121-Q1123 PolarHBondContact O-N 3.19Š| ||
| 1124 | I | 31.6 | Very low | 30.8 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 69% | 0.694 | S | S | * | * | trans | -80.7 | 114.1 | 155.7 | -59.2 | -175.4 | 0 | 0 | 0 | 105.5 | I1122 S1126 | I1122-I1124 HydrophobicContact CG2-CG1 4.1Å; I1122-I1124 PolarHBondContact O-N 3.12Å; I1124-S1126 PolarHBondContact O-N 3.16Å | ||
| 1125 | N | 29 | Very low | 30.5 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -60 | 124.5 | -161.7 | -74 | -27.5 | 0 | 0 | 0 | 113.8 | H1127 | N1125-H1127 VanDerWaalsContact C-N 3.35Å; N1125-H1127 PolarHBondContact O-N 3.45Å | ||
| 1126 | S | 28 | Very low | 30.2 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 88% | 0.881 | 72% | 0.724 | S | S | * | * | trans | -70.9 | 87.9 | 163.7 | 52.5 | 0 | 0 | 0 | 0 | 110.2 | I1124 | I1124-S1126 PolarHBondContact O-N 3.16Š| ||
| 1127 | H | 29.9 | Very low | 29.9 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | -142.3 | 125.8 | 175 | -114.4 | -77.7 | 0 | 0 | 0 | 105.7 | N1125 | N1125-H1127 VanDerWaalsContact C-N 3.35Å; N1125-H1127 PolarHBondContact O-N 3.45Å | ||
| 1128 | L | 33.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | cis | -122.6 | 138.1 | 11 | -87.7 | 85.5 | 0 | 0 | 0 | 109.5 | ||||
| 1129 | T | 31.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | 33.2 | 104.2 | 100.1 | 61 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1130 | R | 27 | Very low | 30.1 | Very low | 219 Ų | 219 | 140.2 Ų | 140.2 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | 79.6 | 74.9 | 90.7 | -171.8 | -163.7 | 145.9 | 128.7 | -4.6 | 112.5 | |||||
| 1131 | D | 32.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -131.7 | 109.4 | 145.8 | -72 | -55.8 | 0 | 0 | 0 | 105.6 | ||||
| 1132 | S | 30.2 | Very low | 30.9 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | 81.6 | 90.6 | 60 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1133 | N | 27.6 | Very low | 32.2 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | 43.6 | 94.8 | 153.9 | -57.7 | -3.9 | 0 | 0 | 0 | 118.4 | ||||
| 1134 | G | 31.7 | Very low | 33.9 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | trans | -143.8 | 133 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1135 | H | 27.4 | Very low | 36.2 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 85% | 0.847 | 74% | 0.741 | S | S | * | * | trans | -61.1 | 141 | 168.3 | -100.1 | -127.1 | 0 | 0 | 0 | 110.2 | ||||
| 1136 | E | 30.5 | Very low | 38.7 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | -173.4 | 151 | 122.5 | -107.5 | 176.2 | -164.9 | 0 | 0 | 113.9 | |||||
| 1137 | N | 27 | Very low | 41.3 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | -90.9 | 101.5 | -178.6 | -69.9 | -68.8 | 0 | 0 | 0 | 110.9 | ||||
| 1138 | L | 33.4 | Very low | 43.9 | Very low | 168 Ų | 168 | 124.4 Ų | 124.4 | 88% | 0.88 | 66% | 0.664 | S | S | * | * | trans | -122.2 | 116.4 | 173 | -148 | 73.3 | 0 | 0 | 0 | 112.9 | ||||
| 1139 | L | 31.6 | Very low | 46.3 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -70 | 131.9 | -171.2 | -155 | 77.2 | 0 | 0 | 0 | 111.6 | S1141 | L1139-S1141 PolarHBondContact O-N 3.32Š|
| 1140 | P | 33.8 | Very low | 48.8 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 71% | 0.708 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.5 | 178.2 | 25.2 | -34.1 | 0 | 0 | 0 | 111.2 | K1142 | P1140-K1142 PolarHBondContact O-N 3.28Š|
| 1141 | S | 32.4 | Very low | 51.1 | Low | 116 Ų | 116 | 111.7 Ų | 111.7 | 81% | 0.811 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 119.3 | 178.5 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | L1139 V1143 | L1139-S1141 PolarHBondContact O-N 3.32Å; S1141-V1143 PolarHBondContact O-N 2.89Å |
| 1142 | K | 42.3 | Very low | 53.1 | Low | 187 Ų | 187 | 107.5 Ų | 107.5 | 81% | 0.813 | 59% | 0.585 | S | S | * | * | trans | -70.3 | 97.7 | -169.8 | -69.5 | 179.5 | 179.9 | 173.7 | 0 | 111.9 | P1140 | P1140-K1142 PolarHBondContact O-N 3.28Š| ||
| 1143 | V | 57.3 | Low | 55 | Low | 93 Ų | 93 | 105.8 Ų | 105.8 | 56% | 0.564 | 58% | 0.581 | S | S | * | * | trans | -64.7 | 130.7 | 151.7 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | S1141 T1145 | S1141-V1143 PolarHBondContact O-N 2.89Å; V1143-T1145 HydrophobicContact CB-CG2 4.4Å; V1143-T1145 HydrophobicContact CG1-CG2 4.14Å; V1143-T1145 PolarHBondContact O-N 3.15Å | ||
| 1144 | D | 65.1 | Low | 56.9 | Low | 92 Ų | 92 | 105.9 Ų | 105.9 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | trans | -65.9 | 82.8 | 174.6 | -86.2 | -14 | 0 | 0 | 0 | 110.2 | K1389 | D1144-K1389 IonicContact OD2-NZ 3.96Å; D1144-K1389 PolarHBondContact OD2-NZ 2.98Å | ||
| 1145 | T | 79.8 | Confident | 58.9 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 42% | 0.423 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 142.7 | 174.4 | 54 | 0 | 0 | 0 | 0 | 110.9 | V1143 L1161 | V1143-T1145 HydrophobicContact CB-CG2 4.4Å; V1143-T1145 HydrophobicContact CG1-CG2 4.14Å; V1143-T1145 PolarHBondContact O-N 3.15Å; T1145-L1161 CarbonylContact C-O 3.58Å; T1145-L1161 WeakPolarHBondContact CA-O 3.5Å |
| 1146 | V | 81.1 | Confident | 61.3 | Low | 2 Ų | 2 | 105.5 Ų | 105.5 | 1% | 0.012 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.5 | 135.3 | 177 | 170 | 0 | 0 | 0 | 0 | 109 | C1148 N1160 L1161 I1166 F1380 C1390 | V1146-C1148 PolarHBondContact O-N 2.81Å; V1146-C1148 VanDerWaalsContact O-N 3.11Å; V1146-N1160 WeakPolarHBondContact O-CA 3.08Å; V1146-L1161 PolarHBondContact N-O 2.98Å; V1146-L1161 PolarHBondContact O-N 2.96Å; V1146-I1166 HydrophobicContact CB-CD1 4.12Å; V1146-I1166 HydrophobicContact CG1-CD1 4.45Å; V1146-F1380 HydrophobicContact CG1-CB 3.76Å; V1146-F1380 HydrophobicContact CG1-CD1 4.31Å; V1146-F1380 HydrophobicContact CG1-CD2 3.65Å; V1146-F1380 HydrophobicContact CG1-CE2 4.27Å; V1146-F1380 HydrophobicContact CG1-CG 3.66Å; V1146-C1390 HydrophobicContact CG2-CB 3.43Å; V1146-C1390 VanDerWaalsContact CG2-CB 3.43Å |
| 1147 | R | 82.6 | Confident | 63.7 | Low | 144 Ų | 144 | 98 Ų | 98 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 103.3 | 174 | -174.7 | 178.1 | -67.8 | -177.4 | -2.2 | 109.4 | ||
| 1148 | C | 83.8 | Confident | 66.5 | Low | 0 Ų | 0 | 97.7 Ų | 97.7 | 0% | 0 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 159.4 | 177.1 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | V1146 F1159 L1161 I1166 P1378 Q1379 | V1146-C1148 PolarHBondContact O-N 2.81Å; V1146-C1148 VanDerWaalsContact O-N 3.11Å; C1148-F1159 PolarHBondContact N-O 3.29Å; C1148-F1159 PolarHBondContact O-N 3.19Å; C1148-F1159 VanDerWaalsContact O-O 3.08Å; C1148-L1161 HydrophobicContact CB-CD1 3.91Å; C1148-L1161 HydrophobicContact CB-CG 4.22Å; C1148-I1166 VanDerWaalsContact SG-CD1 3.53Å; C1148-P1378 HydrophobicContact CB-CB 4.06Å; C1148-Q1379 CarbonylContact C-O 3.58Å; C1148-Q1379 VanDerWaalsContact CA-O 3.25Å; C1148-Q1379 WeakPolarHBondContact CA-O 3.03Å |
| 1149 | Y | 84 | Confident | 68.8 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 28% | 0.282 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.3 | 171.2 | -58.8 | -100.7 | 0 | 0 | 0 | 108.5 | L1156 S1157 K1158 P1378 Q1379 | Y1149-L1156 HydrophobicContact CD1-CD1 4.48Å; Y1149-L1156 HydrophobicContact CD1-CD2 3.97Å; Y1149-L1156 HydrophobicContact CD1-CG 4.13Å; Y1149-S1157 CarbonylContact C-O 3.52Å; Y1149-S1157 VanDerWaalsContact CA-O 3.31Å; Y1149-S1157 WeakPolarHBondContact CA-O 3.18Å; Y1149-K1158 HydrophobicContact CD1-CG 3.81Å; Y1149-K1158 HydrophobicContact CE1-CD 4.26Å; Y1149-K1158 HydrophobicContact CE1-CG 3.73Å; Y1149-P1378 CarbonylContact O-C 3.42Å; Y1149-P1378 WeakPolarHBondContact O-CA 3.42Å; Y1149-Q1379 PolarHBondContact N-O 3.09Å; Y1149-Q1379 PolarHBondContact O-N 3.37Å |
| 1150 | M | 83.2 | Confident | 71.3 | Confident | 55 Ų | 55 | 91.9 Ų | 91.9 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.9 | 176.8 | -72.8 | 176.7 | 58.3 | 0 | 0 | 110.9 | A1152 S1157 F1159 L1161 P1378 | M1150-A1152 PolarHBondContact O-N 3.5Å; M1150-S1157 PolarHBondContact N-O 2.77Å; M1150-S1157 PolarHBondContact O-N 3.46Å; M1150-S1157 PolarHBondContact O-OG 2.93Å; M1150-F1159 HydrophobicContact CB-CD2 3.89Å; M1150-F1159 HydrophobicContact CB-CE2 3.99Å; M1150-F1159 HydrophobicContact CG-CD2 3.99Å; M1150-F1159 HydrophobicContact CG-CE2 4.47Å; M1150-F1159 HydrophobicContact SD-CD2 3.65Å; M1150-F1159 HydrophobicContact SD-CE2 4.09Å; M1150-L1161 HydrophobicContact SD-CD1 3.96Å; M1150-P1378 HydrophobicContact CG-CB 3.86Å |
| 1151 | W | 76.6 | Confident | 73.6 | Confident | 69 Ų | 69 | 87.8 Ų | 87.8 | 26% | 0.261 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 100 | 177.8 | -68 | 100 | 0 | 0 | 0 | 110.4 | G1153 L1156 L1373 | W1151-G1153 PolarHBondContact O-N 3Å; W1151-L1156 HydrophobicContact CD2-CD1 3.69Å; W1151-L1156 HydrophobicContact CE3-CB 4.23Å; W1151-L1156 HydrophobicContact CE3-CD1 4.01Å; W1151-L1156 HydrophobicContact CG-CD1 4.24Å; W1151-L1156 HydrophobicContact CH2-CB 4.23Å; W1151-L1156 HydrophobicContact CH2-CD1 4.05Å; W1151-L1156 HydrophobicContact CH2-CD2 4.33Å; W1151-L1156 HydrophobicContact CH2-CG 4.45Å; W1151-L1156 HydrophobicContact CZ2-CD1 3.72Å; W1151-L1156 HydrophobicContact CZ2-CD2 4.38Å; W1151-L1156 HydrophobicContact CZ3-CB 3.96Å; W1151-L1156 HydrophobicContact CZ3-CD1 4.18Å; W1151-L1373 HydrophobicContact CB-CD1 4.06Å; W1151-L1373 HydrophobicContact CD2-CB 4.35Å; W1151-L1373 HydrophobicContact CD2-CD1 3.7Å; W1151-L1373 HydrophobicContact CD2-CG 4.46Å; W1151-L1373 HydrophobicContact CE3-CD1 3.99Å; W1151-L1373 HydrophobicContact CG-CB 4.32Å; W1151-L1373 HydrophobicContact CG-CD1 3.73Å |
| 1152 | A | 73 | Confident | 76.1 | Confident | 68 Ų | 68 | 83 Ų | 83 | 56% | 0.562 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 77.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109 | M1150 Q1154 K1155 | M1150-A1152 PolarHBondContact O-N 3.5Å; A1152-Q1154 PolarHBondContact O-N 3.34Å; A1152-K1155 PolarHBondContact N-O 3.01Å; A1152-K1155 PolarHBondContact O-N 2.96Å |
| 1153 | G | 70.7 | Confident | 78.1 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 52% | 0.515 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -127.6 | -164.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | W1151 | W1151-G1153 PolarHBondContact O-N 3Š|
| 1154 | Q | 68.6 | Low | 79.2 | Confident | 174 Ų | 174 | 73.3 Ų | 73.3 | 81% | 0.813 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -20.4 | 174.2 | -70.2 | 171.8 | -19.1 | 0 | 0 | 113.4 | A1152 | A1152-Q1154 PolarHBondContact O-N 3.34Š|
| 1155 | K | 72.9 | Confident | 80.2 | Confident | 167 Ų | 167 | 71.1 Ų | 71.1 | 73% | 0.726 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 127.3 | -174.7 | -68.8 | -171.3 | 176.4 | -175.6 | 0 | 111.9 | A1152 | A1152-K1155 PolarHBondContact N-O 3.01Å; A1152-K1155 PolarHBondContact O-N 2.96Å |
| 1156 | L | 77.6 | Confident | 80.5 | Confident | 84 Ų | 84 | 67.8 Ų | 67.8 | 44% | 0.44 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.9 | 173.8 | -169.6 | 61.4 | 0 | 0 | 0 | 110.4 | Y1149 W1151 | Y1149-L1156 HydrophobicContact CD1-CD1 4.48Å; Y1149-L1156 HydrophobicContact CD1-CD2 3.97Å; Y1149-L1156 HydrophobicContact CD1-CG 4.13Å; W1151-L1156 HydrophobicContact CD2-CD1 3.69Å; W1151-L1156 HydrophobicContact CE3-CB 4.23Å; W1151-L1156 HydrophobicContact CE3-CD1 4.01Å; W1151-L1156 HydrophobicContact CG-CD1 4.24Å; W1151-L1156 HydrophobicContact CH2-CB 4.23Å; W1151-L1156 HydrophobicContact CH2-CD1 4.05Å; W1151-L1156 HydrophobicContact CH2-CD2 4.33Å; W1151-L1156 HydrophobicContact CH2-CG 4.45Å; W1151-L1156 HydrophobicContact CZ2-CD1 3.72Å; W1151-L1156 HydrophobicContact CZ2-CD2 4.38Å; W1151-L1156 HydrophobicContact CZ3-CB 3.96Å; W1151-L1156 HydrophobicContact CZ3-CD1 4.18Å |
| 1157 | S | 81 | Confident | 80.8 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.7 | -176.7 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | Y1149 M1150 F1159 | Y1149-S1157 CarbonylContact C-O 3.52Å; Y1149-S1157 VanDerWaalsContact CA-O 3.31Å; Y1149-S1157 WeakPolarHBondContact CA-O 3.18Å; M1150-S1157 PolarHBondContact N-O 2.77Å; M1150-S1157 PolarHBondContact O-N 3.46Å; M1150-S1157 PolarHBondContact O-OG 2.93Å; S1157-F1159 WeakPolarHBondContact OG-CE2 3.29Å |
| 1158 | K | 85.3 | Confident | 80.9 | Confident | 151 Ų | 151 | 63.8 Ų | 63.8 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123 | -177.3 | -68.6 | 165.1 | -177.8 | 163.1 | 0 | 109.3 | Y1149 | Y1149-K1158 HydrophobicContact CD1-CG 3.81Å; Y1149-K1158 HydrophobicContact CE1-CD 4.26Å; Y1149-K1158 HydrophobicContact CE1-CG 3.73Å |
| 1159 | F | 82.5 | Confident | 80.9 | Confident | 95 Ų | 95 | 66 Ų | 66 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145 | 177.5 | -64 | -70.2 | 0 | 0 | 0 | 110.8 | C1148 M1150 S1157 L1161 | C1148-F1159 PolarHBondContact N-O 3.29Å; C1148-F1159 PolarHBondContact O-N 3.19Å; C1148-F1159 VanDerWaalsContact O-O 3.08Å; M1150-F1159 HydrophobicContact CB-CD2 3.89Å; M1150-F1159 HydrophobicContact CB-CE2 3.99Å; M1150-F1159 HydrophobicContact CG-CD2 3.99Å; M1150-F1159 HydrophobicContact CG-CE2 4.47Å; M1150-F1159 HydrophobicContact SD-CD2 3.65Å; M1150-F1159 HydrophobicContact SD-CE2 4.09Å; S1157-F1159 WeakPolarHBondContact OG-CE2 3.29Å; F1159-L1161 HydrophobicContact CB-CD2 4.17Å; F1159-L1161 HydrophobicContact CB-CG 4.21Å |
| 1160 | N | 84.4 | Confident | 81.1 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 109.3 | 166.9 | -58.2 | -45 | 0 | 0 | 0 | 107.5 | V1146 | V1146-N1160 WeakPolarHBondContact O-CA 3.08Å |
| 1161 | L | 82.5 | Confident | 81.2 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 147.6 | -177.2 | -64.7 | -179.2 | 0 | 0 | 0 | 110.3 | T1145 V1146 C1148 M1150 F1159 D1165 I1166 P1378 | T1145-L1161 CarbonylContact C-O 3.58Å; T1145-L1161 WeakPolarHBondContact CA-O 3.5Å; V1146-L1161 PolarHBondContact N-O 2.98Å; V1146-L1161 PolarHBondContact O-N 2.96Å; C1148-L1161 HydrophobicContact CB-CD1 3.91Å; C1148-L1161 HydrophobicContact CB-CG 4.22Å; M1150-L1161 HydrophobicContact SD-CD1 3.96Å; F1159-L1161 HydrophobicContact CB-CD2 4.17Å; F1159-L1161 HydrophobicContact CB-CG 4.21Å; L1161-D1165 HydrophobicContact CB-CB 4.22Å; L1161-D1165 HydrophobicContact CD2-CB 4.23Å; L1161-I1166 HydrophobicContact CB-CD1 4.31Å; L1161-I1166 HydrophobicContact CB-CG1 3.76Å; L1161-I1166 HydrophobicContact CD1-CG1 4.06Å; L1161-P1378 HydrophobicContact CD1-CB 3.95Å; L1161-P1378 HydrophobicContact CD1-CG 4.23Å |
| 1162 | S | 83.7 | Confident | 81.6 | Confident | 15 Ų | 15 | 63.1 Ų | 63.1 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 161.7 | 166.8 | 81.1 | 0 | 0 | 0 | 0 | 110.6 | L1164 D1165 I1166 | S1162-L1164 PolarHBondContact O-N 3.47Å; S1162-L1164 VanDerWaalsContact O-N 3.16Å; S1162-L1164 PolarHBondContact OG-N 2.93Å; S1162-D1165 WeakPolarHBondContact CB-OD2 3.15Å; S1162-D1165 PolarHBondContact N-OD2 3.29Å; S1162-D1165 PolarHBondContact O-N 2.92Å; S1162-D1165 VanDerWaalsContact O-N 3.09Å; S1162-D1165 VanDerWaalsContact OG-CG 3.26Å; S1162-D1165 PolarHBondContact OG-N 2.93Å; S1162-D1165 PolarHBondContact OG-OD2 3.45Å; S1162-I1166 WeakPolarHBondContact O-CG1 3.49Å; S1162-I1166 PolarHBondContact O-N 2.93Å; S1162-I1166 VanDerWaalsContact O-N 3.11Å |
| 1163 | M | 83.7 | Confident | 82.2 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 15% | 0.153 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -49.4 | -38.7 | 169.7 | 178.7 | -160.3 | 151.9 | 0 | 0 | 112.4 | G1167 M1393 L1394 Y1397 | M1163-G1167 PolarHBondContact O-N 2.91Å; M1163-M1393 HydrophobicContact CE-CB 3.77Å; M1163-M1393 WeakPolarHBondContact CE-O 3.16Å; M1163-M1393 HydrophobicContact CG-CB 4.48Å; M1163-M1393 HydrophobicContact SD-CB 3.41Å; M1163-M1393 WeakPolarHBondContact SD-CB 3.49Å; M1163-M1393 HydrophobicContact SD-CE 3.94Å; M1163-M1393 HydrophobicContact SD-CG 4.38Å; M1163-M1393 HydrophobicContact SD-SD 4.3Å; M1163-L1394 HydrophobicContact CG-CB 4.43Å; M1163-Y1397 HydrophobicContact CE-CG 4.24Å |
| 1164 | L | 81.6 | Confident | 83 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.6 | -35.5 | -178.1 | -64.5 | -178.1 | 0 | 0 | 0 | 111.8 | V27 I31 S1162 G1167 K1168 | V27-L1164 HydrophobicContact CG1-CD2 3.94Å; I31-L1164 HydrophobicContact CG1-CB 4.35Å; I31-L1164 HydrophobicContact CG1-CD1 4.46Å; S1162-L1164 PolarHBondContact O-N 3.47Å; S1162-L1164 VanDerWaalsContact O-N 3.16Å; S1162-L1164 PolarHBondContact OG-N 2.93Å; L1164-G1167 PolarHBondContact O-N 2.82Å; L1164-K1168 VanDerWaalsContact O-CB 3.31Å; L1164-K1168 WeakPolarHBondContact O-CB 3.38Å; L1164-K1168 PolarHBondContact O-N 3.37Å |
| 1165 | D | 85.4 | Confident | 83.7 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.3 | -39.2 | 177.9 | -52.9 | -55 | 0 | 0 | 0 | 111.7 | L1161 S1162 G1167 K1168 N1169 | L1161-D1165 HydrophobicContact CB-CB 4.22Å; L1161-D1165 HydrophobicContact CD2-CB 4.23Å; S1162-D1165 WeakPolarHBondContact CB-OD2 3.15Å; S1162-D1165 PolarHBondContact N-OD2 3.29Å; S1162-D1165 PolarHBondContact O-N 2.92Å; S1162-D1165 VanDerWaalsContact O-N 3.09Å; S1162-D1165 VanDerWaalsContact OG-CG 3.26Å; S1162-D1165 PolarHBondContact OG-N 2.93Å; S1162-D1165 PolarHBondContact OG-OD2 3.45Å; D1165-G1167 VanDerWaalsContact C-N 3.31Å; D1165-G1167 PolarHBondContact O-N 2.73Å; D1165-K1168 WeakPolarHBondContact O-CB 3.48Å; D1165-K1168 PolarHBondContact O-N 3.41Å; D1165-N1169 PolarHBondContact O-N 3.14Å; D1165-N1169 PolarHBondContact O-ND2 3.49Å |
| 1166 | I | 86.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 172 | -57.5 | 165.6 | 0 | 0 | 0 | 109.4 | V1146 C1148 L1161 S1162 N1169 V1170 L1366 P1378 F1380 L1394 | V1146-I1166 HydrophobicContact CB-CD1 4.12Å; V1146-I1166 HydrophobicContact CG1-CD1 4.45Å; C1148-I1166 VanDerWaalsContact SG-CD1 3.53Å; L1161-I1166 HydrophobicContact CB-CD1 4.31Å; L1161-I1166 HydrophobicContact CB-CG1 3.76Å; L1161-I1166 HydrophobicContact CD1-CG1 4.06Å; S1162-I1166 WeakPolarHBondContact O-CG1 3.49Å; S1162-I1166 PolarHBondContact O-N 2.93Å; S1162-I1166 VanDerWaalsContact O-N 3.11Å; I1166-N1169 PolarHBondContact O-N 2.86Å; I1166-V1170 WeakPolarHBondContact O-CG2 3.45Å; I1166-V1170 PolarHBondContact O-N 3.4Å; I1166-L1366 HydrophobicContact CG2-CD1 4.45Å; I1166-L1366 HydrophobicContact CG2-CD2 3.83Å; I1166-P1378 HydrophobicContact CG2-CG 4.2Å; I1166-F1380 HydrophobicContact CD1-CD1 4.45Å; I1166-F1380 HydrophobicContact CD1-CE1 4.3Å; I1166-F1380 HydrophobicContact CG2-CE1 4.24Å; I1166-L1394 HydrophobicContact CB-CD2 4.22Å; I1166-L1394 HydrophobicContact CG2-CD2 3.5Å |
| 1167 | G | 86.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.1 | -48.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1163 L1164 D1165 N1169 V1170 I1171 | M1163-G1167 PolarHBondContact O-N 2.91Å; L1164-G1167 PolarHBondContact O-N 2.82Å; D1165-G1167 VanDerWaalsContact C-N 3.31Å; D1165-G1167 PolarHBondContact O-N 2.73Å; G1167-N1169 VanDerWaalsContact C-N 3.33Å; G1167-N1169 PolarHBondContact O-N 3.1Å; G1167-V1170 PolarHBondContact O-N 3.08Å; G1167-V1170 VanDerWaalsContact O-N 3.16Å; G1167-I1171 WeakPolarHBondContact O-CD1 3.41Å; G1167-I1171 WeakPolarHBondContact O-CG1 3.28Å; G1167-I1171 PolarHBondContact O-N 3.27Å |
| 1168 | K | 84.5 | Confident | 83.9 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 178 | -164.5 | 177.7 | -172 | 165.9 | 0 | 111.6 | I31 L1164 D1165 I1171 Y1172 | I31-K1168 HydrophobicContact CG2-CD 3.95Å; I31-K1168 HydrophobicContact CG2-CG 4.26Å; I31-K1168 PolarHBondContact O-NZ 2.89Å; L1164-K1168 VanDerWaalsContact O-CB 3.31Å; L1164-K1168 WeakPolarHBondContact O-CB 3.38Å; L1164-K1168 PolarHBondContact O-N 3.37Å; D1165-K1168 WeakPolarHBondContact O-CB 3.48Å; D1165-K1168 PolarHBondContact O-N 3.41Å; K1168-I1171 WeakPolarHBondContact O-CB 3.3Å; K1168-I1171 PolarHBondContact O-N 3.18Å; K1168-Y1172 HydrophobicContact CD-CE2 4.24Å; K1168-Y1172 VanDerWaalsContact CE-OH 3.26Å; K1168-Y1172 WeakPolarHBondContact CE-OH 3.47Å; K1168-Y1172 HydrophobicContact CG-CD2 4.27Å; K1168-Y1172 HydrophobicContact CG-CE2 3.61Å; K1168-Y1172 WeakPolarHBondContact O-CD2 3.49Å; K1168-Y1172 PolarHBondContact O-N 3.05Å |
| 1169 | N | 85.5 | Confident | 83.7 | Confident | 46 Ų | 46 | 54 Ų | 54 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 175.2 | -73.5 | -28.2 | 0 | 0 | 0 | 113.1 | D1165 I1166 G1167 I1171 A1173 P1378 | D1165-N1169 PolarHBondContact O-N 3.14Å; D1165-N1169 PolarHBondContact O-ND2 3.49Å; I1166-N1169 PolarHBondContact O-N 2.86Å; G1167-N1169 VanDerWaalsContact C-N 3.33Å; G1167-N1169 PolarHBondContact O-N 3.1Å; N1169-I1171 VanDerWaalsContact C-N 3.31Å; N1169-I1171 PolarHBondContact O-N 2.94Å; N1169-A1173 PolarHBondContact O-N 3.49Å; N1169-A1173 VanDerWaalsContact O-N 3.07Å; N1169-P1378 HydrophobicContact CB-CG 3.96Å |
| 1170 | V | 86.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 172.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | I1166 G1167 A1173 V1174 Y1359 L1366 V1377 L1398 | I1166-V1170 WeakPolarHBondContact O-CG2 3.45Å; I1166-V1170 PolarHBondContact O-N 3.4Å; G1167-V1170 PolarHBondContact O-N 3.08Å; G1167-V1170 VanDerWaalsContact O-N 3.16Å; V1170-A1173 PolarHBondContact O-N 2.87Å; V1170-V1174 WeakPolarHBondContact O-CG2 3.45Å; V1170-V1174 PolarHBondContact O-N 3.48Å; V1170-V1174 VanDerWaalsContact O-N 3.07Å; V1170-Y1359 HydrophobicContact CG1-CD1 4.32Å; V1170-L1366 HydrophobicContact CG2-CD1 4.37Å; V1170-L1366 HydrophobicContact CG2-CD2 3.86Å; V1170-L1366 HydrophobicContact CG2-CG 4.41Å; V1170-V1377 HydrophobicContact CG2-CG1 3.74Å; V1170-L1398 HydrophobicContact CB-CD1 4.44Å; V1170-L1398 HydrophobicContact CG1-CD1 3.89Å; V1170-L1398 HydrophobicContact CG1-CD2 4.2Å |
| 1171 | I | 85.9 | Confident | 83.4 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.1 | -49.9 | 178.4 | -68.8 | 158.6 | 0 | 0 | 0 | 110.8 | G1167 K1168 N1169 A1173 V1174 E1175 Y1359 Y1397 R1401 | G1167-I1171 WeakPolarHBondContact O-CD1 3.41Å; G1167-I1171 WeakPolarHBondContact O-CG1 3.28Å; G1167-I1171 PolarHBondContact O-N 3.27Å; K1168-I1171 WeakPolarHBondContact O-CB 3.3Å; K1168-I1171 PolarHBondContact O-N 3.18Å; N1169-I1171 VanDerWaalsContact C-N 3.31Å; N1169-I1171 PolarHBondContact O-N 2.94Å; I1171-A1173 VanDerWaalsContact C-N 3.27Å; I1171-A1173 PolarHBondContact O-N 3.08Å; I1171-V1174 WeakPolarHBondContact O-CB 3.48Å; I1171-V1174 PolarHBondContact O-N 3.29Å; I1171-V1174 VanDerWaalsContact O-N 3.09Å; I1171-E1175 HydrophobicContact CG2-CG 4.38Å; I1171-E1175 WeakPolarHBondContact CG2-OE1 3.16Å; I1171-E1175 WeakPolarHBondContact O-CG 3.31Å; I1171-E1175 PolarHBondContact O-N 3.41Å; I1171-Y1359 HydrophobicContact CG1-CE1 4.03Å; I1171-Y1397 HydrophobicContact CD1-CE1 4.4Å; I1171-R1401 VanDerWaalsContact CD1-NH1 3.35Å |
| 1172 | Y | 85.6 | Confident | 83.6 | Confident | 126 Ų | 126 | 51.5 Ų | 51.5 | 49% | 0.494 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.2 | -31.3 | 176.8 | -64.7 | -40.2 | 0 | 0 | 0 | 113 | K1168 R1176 | K1168-Y1172 HydrophobicContact CD-CE2 4.24Å; K1168-Y1172 VanDerWaalsContact CE-OH 3.26Å; K1168-Y1172 WeakPolarHBondContact CE-OH 3.47Å; K1168-Y1172 HydrophobicContact CG-CD2 4.27Å; K1168-Y1172 HydrophobicContact CG-CE2 3.61Å; K1168-Y1172 WeakPolarHBondContact O-CD2 3.49Å; K1168-Y1172 PolarHBondContact O-N 3.05Å; Y1172-R1176 VanDerWaalsContact O-CB 3.24Å; Y1172-R1176 WeakPolarHBondContact O-CB 3.45Å; Y1172-R1176 PolarHBondContact O-N 2.82Å |
| 1173 | A | 86 | Confident | 83.8 | Confident | 13 Ų | 13 | 53.1 Ų | 53.1 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1169 V1170 I1171 Y1362 V1377 | N1169-A1173 PolarHBondContact O-N 3.49Å; N1169-A1173 VanDerWaalsContact O-N 3.07Å; V1170-A1173 PolarHBondContact O-N 2.87Å; I1171-A1173 VanDerWaalsContact C-N 3.27Å; I1171-A1173 PolarHBondContact O-N 3.08Å; A1173-Y1362 HydrophobicContact CB-CD1 4.05Å; A1173-Y1362 HydrophobicContact CB-CE1 3.97Å; A1173-Y1362 HydrophobicContact CB-CG 4.41Å; A1173-Y1362 PolarHBondContact O-OH 3.09Å; A1173-V1377 HydrophobicContact CB-CG2 3.86Å |
| 1174 | V | 86.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.4 | -50.7 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | V1170 I1171 R1176 Q1177 E1355 L1358 Y1359 Y1362 | V1170-V1174 WeakPolarHBondContact O-CG2 3.45Å; V1170-V1174 PolarHBondContact O-N 3.48Å; V1170-V1174 VanDerWaalsContact O-N 3.07Å; I1171-V1174 WeakPolarHBondContact O-CB 3.48Å; I1171-V1174 PolarHBondContact O-N 3.29Å; I1171-V1174 VanDerWaalsContact O-N 3.09Å; V1174-R1176 PolarHBondContact O-N 3.3Å; V1174-Q1177 PolarHBondContact O-N 3.47Å; V1174-E1355 HydrophobicContact CG1-CG 4.49Å; V1174-L1358 HydrophobicContact CG1-CB 4.17Å; V1174-L1358 HydrophobicContact CG1-CD2 4.29Å; V1174-L1358 HydrophobicContact CG2-CB 4.2Å; V1174-Y1359 HydrophobicContact CB-CE1 4.12Å; V1174-Y1359 HydrophobicContact CG1-CE1 4.34Å; V1174-Y1359 HydrophobicContact CG1-CE2 4.14Å; V1174-Y1359 HydrophobicContact CG2-CD1 3.64Å; V1174-Y1359 HydrophobicContact CG2-CE1 3.72Å; V1174-Y1359 HydrophobicContact CG2-CG 4.07Å; V1174-Y1362 HydrophobicContact CB-CE2 4.46Å; V1174-Y1362 HydrophobicContact CG2-CD2 3.45Å; V1174-Y1362 VanDerWaalsContact CG2-CD2 3.45Å; V1174-Y1362 HydrophobicContact CG2-CE2 3.81Å; V1174-Y1362 HydrophobicContact CG2-CG 4.47Å |
| 1175 | E | 84.3 | Confident | 84.4 | Confident | 114 Ų | 114 | 53.4 Ų | 53.4 | 53% | 0.533 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.3 | -25.8 | -176.1 | -71 | 171.1 | -176.8 | 0 | 0 | 113 | I1171 | I1171-E1175 HydrophobicContact CG2-CG 4.38Å; I1171-E1175 WeakPolarHBondContact CG2-OE1 3.16Å; I1171-E1175 WeakPolarHBondContact O-CG 3.31Å; I1171-E1175 PolarHBondContact O-N 3.41Å |
| 1176 | R | 79.8 | Confident | 84.6 | Confident | 199 Ų | 199 | 54.3 Ų | 54.3 | 75% | 0.751 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -75 | -23.3 | 173.8 | -177.3 | 173.6 | 178.6 | 169.5 | 3 | 113.8 | Y1172 V1174 | Y1172-R1176 VanDerWaalsContact O-CB 3.24Å; Y1172-R1176 WeakPolarHBondContact O-CB 3.45Å; Y1172-R1176 PolarHBondContact O-N 2.82Å; V1174-R1176 PolarHBondContact O-N 3.3Å |
| 1177 | Q | 80.2 | Confident | 84.7 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 31% | 0.308 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -83.4 | 130.2 | -176.4 | -169.7 | -176.9 | -22.5 | 0 | 0 | 111.7 | V1174 I1179 L1358 Y1362 | V1174-Q1177 PolarHBondContact O-N 3.47Å; Q1177-I1179 PolarHBondContact O-N 2.82Å; Q1177-L1358 HydrophobicContact CB-CD2 3.82Å; Q1177-L1358 HydrophobicContact CG-CD2 4.08Å; Q1177-Y1362 PolarHBondContact OE1-OH 3.13Å |
| 1178 | S | 76 | Confident | 84.8 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 74% | 0.741 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 129.1 | 168.8 | 52.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1179 | I | 79.4 | Confident | 85 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 14% | 0.138 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 148.1 | 175.1 | -60.3 | 178.5 | 0 | 0 | 0 | 108.4 | Q1177 R1351 Q1354 E1355 | Q1177-I1179 PolarHBondContact O-N 2.82Å; I1179-R1351 HydrophobicContact CD1-CG 3.85Å; I1179-R1351 HydrophobicContact CG2-CG 4.42Å; I1179-Q1354 HydrophobicContact CG2-CB 3.85Å; I1179-Q1354 VanDerWaalsContact CG2-CD 3.5Å; I1179-Q1354 HydrophobicContact CG2-CG 4.16Å; I1179-Q1354 VanDerWaalsContact CG2-OE1 3.3Å; I1179-E1355 HydrophobicContact CD1-CG 3.49Å; I1179-E1355 VanDerWaalsContact CD1-CG 3.49Å; I1179-E1355 WeakPolarHBondContact CD1-OE1 3.28Å |
| 1180 | S | 80.9 | Confident | 85.1 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 137.1 | 178.3 | 132 | 0 | 0 | 0 | 0 | 111.1 | D1182 | S1180-D1182 WeakPolarHBondContact CB-OD2 3.42Å; S1180-D1182 PolarHBondContact OG-N 3.15Å; S1180-D1182 PolarHBondContact OG-OD2 3.31Å |
| 1181 | S | 80.4 | Confident | 85.3 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 21% | 0.21 | 29% | 0.288 | C | S | . | . | trans | -93.8 | -0.9 | -179.5 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | Y1183 I1184 I1185 | S1181-Y1183 PolarHBondContact O-N 3.16Å; S1181-I1184 WeakPolarHBondContact O-CA 3.23Å; S1181-I1184 VanDerWaalsContact O-CB 3.3Å; S1181-I1184 WeakPolarHBondContact O-CB 3.5Å; S1181-I1184 PolarHBondContact O-N 2.93Å; S1181-I1185 PolarHBondContact O-N 3Å; S1181-I1185 VanDerWaalsContact O-N 3.13Å | ||
| 1182 | D | 86.6 | Confident | 85.3 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 54% | 0.535 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | -164.3 | -42.8 | -46.6 | 0 | 0 | 0 | 111.9 | S1180 I1184 I1185 F1186 | S1180-D1182 WeakPolarHBondContact CB-OD2 3.42Å; S1180-D1182 PolarHBondContact OG-N 3.15Å; S1180-D1182 PolarHBondContact OG-OD2 3.31Å; D1182-I1184 VanDerWaalsContact C-N 3.31Å; D1182-I1184 PolarHBondContact O-N 3.45Å; D1182-I1185 PolarHBondContact O-N 3.28Å; D1182-F1186 PolarHBondContact O-N 3.5Å |
| 1183 | Y | 89 | Confident | 85.4 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.9 | -23 | 175.4 | -75.7 | -94.5 | 0 | 0 | 0 | 113.3 | S1181 A1187 E1350 V1455 F1456 R1459 | S1181-Y1183 PolarHBondContact O-N 3.16Å; Y1183-A1187 VanDerWaalsContact O-CB 3.31Å; Y1183-A1187 WeakPolarHBondContact O-CB 3.49Å; Y1183-A1187 PolarHBondContact O-N 2.95Å; Y1183-E1350 HydrophobicContact CD1-CG 4.37Å; Y1183-E1350 HydrophobicContact CG-CG 4.11Å; Y1183-V1455 HydrophobicContact CE1-CG1 4.38Å; Y1183-F1456 HydrophobicContact CD1-CD1 4.18Å; Y1183-F1456 AromaticContact CD1-CE1 3.8Å; Y1183-F1456 HydrophobicContact CD1-CE1 3.8Å; Y1183-F1456 HydrophobicContact CD1-CZ 4.13Å; Y1183-F1456 HydrophobicContact CG-CE1 4.33Å; Y1183-R1459 HydrophobicContact CD1-CG 4.43Å; Y1183-R1459 HydrophobicContact CE1-CB 3.95Å; Y1183-R1459 HydrophobicContact CE1-CG 3.8Å; Y1183-R1459 HydrophobicContact CE2-CG 4.26Å; Y1183-R1459 WeakPolarHBondContact OH-CD 3.31Å; Y1183-R1459 PolarHBondContact OH-NH1 2.96Å |
| 1184 | I | 88.6 | Confident | 85.4 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.082 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 171.2 | -62.1 | 173.8 | 0 | 0 | 0 | 109.6 | F4 E5 S1181 D1182 A1187 C1188 | F4-I1184 HydrophobicContact CD1-CD1 4.3Å; F4-I1184 HydrophobicContact CD1-CG2 3.53Å; F4-I1184 HydrophobicContact CE1-CB 4.24Å; F4-I1184 HydrophobicContact CE1-CD1 4.11Å; F4-I1184 HydrophobicContact CE1-CG1 3.99Å; F4-I1184 HydrophobicContact CE1-CG2 3.37Å; F4-I1184 HydrophobicContact CG-CG2 4.32Å; F4-I1184 HydrophobicContact CZ-CG2 4.01Å; E5-I1184 HydrophobicContact CG-CD1 4.27Å; S1181-I1184 WeakPolarHBondContact O-CA 3.23Å; S1181-I1184 VanDerWaalsContact O-CB 3.3Å; S1181-I1184 WeakPolarHBondContact O-CB 3.5Å; S1181-I1184 PolarHBondContact O-N 2.93Å; D1182-I1184 VanDerWaalsContact C-N 3.31Å; D1182-I1184 PolarHBondContact O-N 3.45Å; I1184-A1187 PolarHBondContact O-N 3.27Å; I1184-C1188 PolarHBondContact O-N 3.46Å; I1184-C1188 PolarHBondContact O-SG 3.31Å; I1184-C1188 VanDerWaalsContact O-SG 3.33Å |
| 1185 | I | 87.7 | Confident | 85.4 | Confident | 67 Ų | 67 | 57.7 Ų | 57.7 | 34% | 0.344 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 176.1 | -60.8 | 169.5 | 0 | 0 | 0 | 110 | F567 S1181 D1182 A1187 C1188 V1189 | F567-I1185 HydrophobicContact CD2-CG2 4.34Å; F567-I1185 HydrophobicContact CE2-CG2 3.71Å; S1181-I1185 PolarHBondContact O-N 3Å; S1181-I1185 VanDerWaalsContact O-N 3.13Å; D1182-I1185 PolarHBondContact O-N 3.28Å; I1185-A1187 PolarHBondContact O-N 3.45Å; I1185-C1188 PolarHBondContact O-N 3.26Å; I1185-V1189 WeakPolarHBondContact O-CG2 3.35Å; I1185-V1189 PolarHBondContact O-N 2.94Å |
| 1186 | F | 89.7 | Confident | 85.3 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 28% | 0.281 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 175.5 | 175.7 | -106.4 | 0 | 0 | 0 | 112.6 | D1182 V1189 A1190 V1455 F1456 | D1182-F1186 PolarHBondContact O-N 3.5Å; F1186-V1189 PolarHBondContact O-N 2.75Å; F1186-A1190 WeakPolarHBondContact O-CB 3.28Å; F1186-A1190 PolarHBondContact O-N 3.41Å; F1186-V1455 HydrophobicContact CD1-CG1 4.49Å; F1186-V1455 HydrophobicContact CE1-CB 4.13Å; F1186-V1455 HydrophobicContact CE1-CG1 3.85Å; F1186-V1455 HydrophobicContact CZ-CB 4.16Å; F1186-V1455 HydrophobicContact CZ-CG1 4.02Å; F1186-V1455 HydrophobicContact CZ-CG2 4.29Å; F1186-F1456 HydrophobicContact CD1-CD2 4.4Å; F1186-F1456 AromaticContact CD1-CE2 3.59Å; F1186-F1456 HydrophobicContact CD1-CE2 3.59Å; F1186-F1456 HydrophobicContact CD1-CZ 4.08Å; F1186-F1456 HydrophobicContact CE1-CD2 4.14Å; F1186-F1456 AromaticContact CE1-CE2 3.72Å; F1186-F1456 HydrophobicContact CE1-CE2 3.72Å |
| 1187 | A | 89.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1183 I1184 I1185 V1189 A1190 T1191 F1343 C1347 F1456 | Y1183-A1187 VanDerWaalsContact O-CB 3.31Å; Y1183-A1187 WeakPolarHBondContact O-CB 3.49Å; Y1183-A1187 PolarHBondContact O-N 2.95Å; I1184-A1187 PolarHBondContact O-N 3.27Å; I1185-A1187 PolarHBondContact O-N 3.45Å; A1187-V1189 VanDerWaalsContact C-N 3.32Å; A1187-V1189 PolarHBondContact O-N 3.43Å; A1187-A1190 PolarHBondContact O-N 2.94Å; A1187-T1191 WeakPolarHBondContact O-CB 3.5Å; A1187-T1191 PolarHBondContact O-N 2.87Å; A1187-T1191 PolarHBondContact O-OG1 3.05Å; A1187-F1343 HydrophobicContact CB-CB 3.96Å; A1187-C1347 WeakPolarHBondContact CB-SG 3.2Å; A1187-F1456 HydrophobicContact CB-CZ 4.16Å |
| 1188 | C | 89.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 176 | -69.3 | 0 | 0 | 0 | 0 | 111.6 | I1184 I1185 T1191 F1192 | I1184-C1188 PolarHBondContact O-N 3.46Å; I1184-C1188 PolarHBondContact O-SG 3.31Å; I1184-C1188 VanDerWaalsContact O-SG 3.33Å; I1185-C1188 PolarHBondContact O-N 3.26Å; C1188-T1191 PolarHBondContact O-N 2.98Å; C1188-F1192 WeakPolarHBondContact O-CD2 3.41Å; C1188-F1192 PolarHBondContact O-N 3.16Å; C1188-F1192 VanDerWaalsContact O-N 3.15Å |
| 1189 | V | 88.4 | Confident | 85.1 | Confident | 68 Ų | 68 | 42 Ų | 42 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | F567 I1185 F1186 A1187 F1192 A1193 | F567-V1189 HydrophobicContact CE2-CG2 4.24Å; F567-V1189 HydrophobicContact CZ-CG2 3.85Å; I1185-V1189 WeakPolarHBondContact O-CG2 3.35Å; I1185-V1189 PolarHBondContact O-N 2.94Å; F1186-V1189 PolarHBondContact O-N 2.75Å; A1187-V1189 VanDerWaalsContact C-N 3.32Å; A1187-V1189 PolarHBondContact O-N 3.43Å; V1189-F1192 PolarHBondContact O-N 2.92Å; V1189-A1193 WeakPolarHBondContact O-CB 3.39Å; V1189-A1193 PolarHBondContact O-N 2.92Å |
| 1190 | A | 87.8 | Confident | 85 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1186 A1187 F1192 A1193 L1194 F1343 | F1186-A1190 WeakPolarHBondContact O-CB 3.28Å; F1186-A1190 PolarHBondContact O-N 3.41Å; A1187-A1190 PolarHBondContact O-N 2.94Å; A1190-F1192 VanDerWaalsContact C-N 3.33Å; A1190-F1192 PolarHBondContact O-N 3.24Å; A1190-A1193 PolarHBondContact O-N 2.86Å; A1190-L1194 WeakPolarHBondContact O-CB 3.35Å; A1190-L1194 WeakPolarHBondContact O-CG 3.31Å; A1190-L1194 PolarHBondContact O-N 3.05Å; A1190-F1343 HydrophobicContact CB-CD1 4.34Å; A1190-F1343 HydrophobicContact CB-CD2 4.32Å; A1190-F1343 HydrophobicContact CB-CE1 4.09Å; A1190-F1343 HydrophobicContact CB-CE2 4.11Å; A1190-F1343 HydrophobicContact CB-CG 4.47Å; A1190-F1343 HydrophobicContact CB-CZ 3.98Å |
| 1191 | T | 89.6 | Confident | 84.8 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 10% | 0.098 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -37.5 | 176.3 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | A1187 C1188 P1195 F1336 G1340 | A1187-T1191 WeakPolarHBondContact O-CB 3.5Å; A1187-T1191 PolarHBondContact O-N 2.87Å; A1187-T1191 PolarHBondContact O-OG1 3.05Å; C1188-T1191 PolarHBondContact O-N 2.98Å; T1191-P1195 WeakPolarHBondContact O-CD 3.49Å; T1191-P1195 WeakPolarHBondContact O-CG 3.36Å; T1191-F1336 HydrophobicContact CG2-CD2 3.99Å; T1191-F1336 HydrophobicContact CG2-CE2 3.71Å; T1191-F1336 HydrophobicContact CG2-CZ 4.23Å; T1191-F1336 WeakPolarHBondContact O-CD2 3.42Å; T1191-G1340 VanDerWaalsContact CG2-CA 3.41Å |
| 1192 | F | 86.5 | Confident | 84.5 | Confident | 120 Ų | 120 | 44.4 Ų | 44.4 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -78.2 | -41.8 | 173.3 | -75.3 | -69.7 | 0 | 0 | 0 | 112.5 | C1188 V1189 A1190 P1195 F1196 F1336 | C1188-F1192 WeakPolarHBondContact O-CD2 3.41Å; C1188-F1192 PolarHBondContact O-N 3.16Å; C1188-F1192 VanDerWaalsContact O-N 3.15Å; V1189-F1192 PolarHBondContact O-N 2.92Å; A1190-F1192 VanDerWaalsContact C-N 3.33Å; A1190-F1192 PolarHBondContact O-N 3.24Å; F1192-P1195 WeakPolarHBondContact O-CD 3.45Å; F1192-F1196 WeakPolarHBondContact O-CD2 3.19Å; F1192-F1336 HydrophobicContact CD1-CD2 4.41Å; F1192-F1336 AromaticContact CD1-CE2 3.57Å; F1192-F1336 HydrophobicContact CD1-CE2 3.57Å; F1192-F1336 HydrophobicContact CD1-CZ 4.35Å; F1192-F1336 AromaticContact CE1-CE2 3.5Å; F1192-F1336 HydrophobicContact CE1-CE2 3.5Å; F1192-F1336 VanDerWaalsContact CE1-CE2 3.5Å; F1192-F1336 AromaticContact CE1-CZ 3.81Å; F1192-F1336 HydrophobicContact CE1-CZ 3.81Å; F1192-F1336 HydrophobicContact CG-CE2 4.25Å; F1192-F1336 HydrophobicContact CZ-CE2 4.12Å; F1192-F1336 HydrophobicContact CZ-CZ 4.15Å |
| 1193 | A | 87.1 | Confident | 83.7 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 41% | 0.413 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.8 | -39.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1189 A1190 F1196 | V1189-A1193 WeakPolarHBondContact O-CB 3.39Å; V1189-A1193 PolarHBondContact O-N 2.92Å; A1190-A1193 PolarHBondContact O-N 2.86Å; A1193-F1196 PolarHBondContact O-N 3.44Å |
| 1194 | L | 87.7 | Confident | 82.8 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | -174.2 | -68 | 167.7 | 0 | 0 | 0 | 113.3 | A1190 F1196 I1197 Y1339 F1343 | A1190-L1194 WeakPolarHBondContact O-CB 3.35Å; A1190-L1194 WeakPolarHBondContact O-CG 3.31Å; A1190-L1194 PolarHBondContact O-N 3.05Å; L1194-F1196 PolarHBondContact O-N 3.48Å; L1194-I1197 HydrophobicContact CD2-CD1 3.82Å; L1194-I1197 VanDerWaalsContact O-CB 3.28Å; L1194-I1197 WeakPolarHBondContact O-CB 3.33Å; L1194-I1197 WeakPolarHBondContact O-CG1 3.27Å; L1194-I1197 PolarHBondContact O-N 2.84Å; L1194-Y1339 HydrophobicContact CB-CD2 3.66Å; L1194-Y1339 HydrophobicContact CB-CE2 3.77Å; L1194-Y1339 HydrophobicContact CD1-CD2 4.43Å; L1194-F1343 HydrophobicContact CD1-CE2 3.49Å; L1194-F1343 VanDerWaalsContact CD1-CE2 3.49Å; L1194-F1343 HydrophobicContact CD1-CZ 3.88Å |
| 1195 | P | 84.5 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -26.4 | 175.3 | -24.7 | 36.4 | 0 | 0 | 0 | 114.3 | T1191 F1192 I1197 S1198 F1332 R1335 F1336 Y1339 | T1191-P1195 WeakPolarHBondContact O-CD 3.49Å; T1191-P1195 WeakPolarHBondContact O-CG 3.36Å; F1192-P1195 WeakPolarHBondContact O-CD 3.45Å; P1195-I1197 VanDerWaalsContact C-N 3.28Å; P1195-I1197 PolarHBondContact O-N 3.47Å; P1195-S1198 WeakPolarHBondContact O-CB 3.34Å; P1195-S1198 PolarHBondContact O-N 3Å; P1195-F1332 HydrophobicContact CB-CD2 3.51Å; P1195-F1332 HydrophobicContact CB-CE2 3.39Å; P1195-F1332 HydrophobicContact CB-CG 4.39Å; P1195-F1332 HydrophobicContact CB-CZ 4.18Å; P1195-F1332 WeakPolarHBondContact O-CD2 3.49Å; P1195-R1335 HydrophobicContact CB-CB 4.35Å; P1195-R1335 HydrophobicContact CG-CB 4.34Å; P1195-F1336 HydrophobicContact CB-CB 4.45Å; P1195-F1336 HydrophobicContact CG-CB 3.9Å; P1195-F1336 HydrophobicContact CG-CD2 4.31Å; P1195-Y1339 HydrophobicContact CG-CD2 3.89Å; P1195-Y1339 HydrophobicContact CG-CE2 4.33Å |
| 1196 | F | 81.9 | Confident | 80.3 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.3 | -24.1 | 174.6 | -77 | -60.7 | 0 | 0 | 0 | 113 | F1192 A1193 L1194 S1198 I1199 I1200 I1307 F1332 | F1192-F1196 WeakPolarHBondContact O-CD2 3.19Å; A1193-F1196 PolarHBondContact O-N 3.44Å; L1194-F1196 PolarHBondContact O-N 3.48Å; F1196-S1198 PolarHBondContact O-N 2.94Å; F1196-I1199 HydrophobicContact CD1-CD1 4.16Å; F1196-I1199 HydrophobicContact CE1-CD1 4.42Å; F1196-I1199 PolarHBondContact O-N 3.47Å; F1196-I1200 WeakPolarHBondContact O-CB 3.38Å; F1196-I1200 WeakPolarHBondContact O-CD1 3.41Å; F1196-I1200 VanDerWaalsContact O-CG1 3.24Å; F1196-I1200 WeakPolarHBondContact O-CG1 3.34Å; F1196-I1200 PolarHBondContact O-N 3Å; F1196-I1307 HydrophobicContact CE1-CG2 3.88Å; F1196-I1307 HydrophobicContact CZ-CG2 4.21Å; F1196-F1332 HydrophobicContact CD1-CE2 4.19Å; F1196-F1332 HydrophobicContact CE1-CE2 4.31Å; F1196-F1332 HydrophobicContact CE1-CZ 4.29Å; F1196-F1332 HydrophobicContact CZ-CZ 4.49Å |
| 1197 | I | 82.2 | Confident | 78.7 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -42.7 | 173.8 | -60 | 177.6 | 0 | 0 | 0 | 109.8 | L1194 P1195 I1199 I1200 F1201 W1444 | L1194-I1197 HydrophobicContact CD2-CD1 3.82Å; L1194-I1197 VanDerWaalsContact O-CB 3.28Å; L1194-I1197 WeakPolarHBondContact O-CB 3.33Å; L1194-I1197 WeakPolarHBondContact O-CG1 3.27Å; L1194-I1197 PolarHBondContact O-N 2.84Å; P1195-I1197 VanDerWaalsContact C-N 3.28Å; P1195-I1197 PolarHBondContact O-N 3.47Å; I1197-I1199 PolarHBondContact O-N 3.15Å; I1197-I1200 PolarHBondContact O-N 3.03Å; I1197-F1201 VanDerWaalsContact O-CB 3.31Å; I1197-F1201 WeakPolarHBondContact O-CB 3.48Å; I1197-F1201 PolarHBondContact O-N 3.21Å; I1197-W1444 HydrophobicContact CG2-CB 3.8Å |
| 1198 | S | 77.7 | Confident | 76.9 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 178 | -37 | 0 | 0 | 0 | 0 | 113 | P1195 F1196 H1202 R1335 D1445 | P1195-S1198 WeakPolarHBondContact O-CB 3.34Å; P1195-S1198 PolarHBondContact O-N 3Å; F1196-S1198 PolarHBondContact O-N 2.94Å; S1198-H1202 PolarHBondContact O-CD2 3.2Å; S1198-H1202 VanDerWaalsContact O-CD2 3.3Å; S1198-H1202 PolarHBondContact O-N 3Å; S1198-R1335 WeakPolarHBondContact OG-CD 3.44Å; S1198-R1335 PolarHBondContact OG-NE 3.01Å; S1198-R1335 VanDerWaalsContact OG-NE 3.11Å; S1198-D1445 PolarHBondContact OG-OD1 3.08Å |
| 1199 | I | 73.9 | Confident | 75 | Confident | 34 Ų | 34 | 49 Ų | 49 | 17% | 0.174 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 175.2 | -64.9 | -179.6 | 0 | 0 | 0 | 111.1 | F1196 I1197 F1201 H1202 S1203 F1312 F1332 | F1196-I1199 HydrophobicContact CD1-CD1 4.16Å; F1196-I1199 HydrophobicContact CE1-CD1 4.42Å; F1196-I1199 PolarHBondContact O-N 3.47Å; I1197-I1199 PolarHBondContact O-N 3.15Å; I1199-F1201 PolarHBondContact O-N 3.4Å; I1199-H1202 PolarHBondContact O-N 3.18Å; I1199-S1203 WeakPolarHBondContact O-CB 3.44Å; I1199-S1203 PolarHBondContact O-N 3.04Å; I1199-F1312 HydrophobicContact CG2-CE1 3.65Å; I1199-F1312 HydrophobicContact CG2-CZ 4.08Å; I1199-F1332 HydrophobicContact CD1-CD2 3.39Å; I1199-F1332 HydrophobicContact CD1-CE2 3.45Å; I1199-F1332 VanDerWaalsContact CD1-CE2 3.45Å; I1199-F1332 HydrophobicContact CD1-CG 4.02Å; I1199-F1332 HydrophobicContact CD1-CZ 4.14Å; I1199-F1332 HydrophobicContact CG1-CD2 3.77Å; I1199-F1332 HydrophobicContact CG1-CE2 4.18Å; I1199-F1332 HydrophobicContact CG1-CG 4.49Å |
| 1200 | I | 76.5 | Confident | 73 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -47.9 | -179.9 | -69.1 | 163.1 | 0 | 0 | 0 | 110 | F1196 I1197 H1202 S1203 T1204 | F1196-I1200 WeakPolarHBondContact O-CB 3.38Å; F1196-I1200 WeakPolarHBondContact O-CD1 3.41Å; F1196-I1200 VanDerWaalsContact O-CG1 3.24Å; F1196-I1200 WeakPolarHBondContact O-CG1 3.34Å; F1196-I1200 PolarHBondContact O-N 3Å; I1197-I1200 PolarHBondContact O-N 3.03Å; I1200-H1202 PolarHBondContact O-N 2.56Å; I1200-S1203 WeakPolarHBondContact O-CB 3.41Å; I1200-S1203 PolarHBondContact O-N 3.31Å; I1200-T1204 PolarHBondContact O-N 2.79Å; I1200-T1204 PolarHBondContact O-OG1 3.48Å; I1200-T1204 VanDerWaalsContact O-OG1 3.13Å |
| 1201 | F | 77.2 | Confident | 71.1 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -55.5 | -51.6 | 177.8 | 178.8 | -86.9 | 0 | 0 | 0 | 112.1 | I1197 I1199 S1203 T1204 N1205 T1439 L1441 | I1197-F1201 VanDerWaalsContact O-CB 3.31Å; I1197-F1201 WeakPolarHBondContact O-CB 3.48Å; I1197-F1201 PolarHBondContact O-N 3.21Å; I1199-F1201 PolarHBondContact O-N 3.4Å; F1201-S1203 VanDerWaalsContact C-N 3.31Å; F1201-S1203 PolarHBondContact O-N 3.03Å; F1201-T1204 WeakPolarHBondContact CA-OG1 3.31Å; F1201-T1204 PolarHBondContact O-N 3.48Å; F1201-T1204 VanDerWaalsContact O-N 3.15Å; F1201-T1204 PolarHBondContact O-OG1 3.16Å; F1201-N1205 PolarHBondContact O-N 3.17Å; F1201-T1439 VanDerWaalsContact CZ-O 3.29Å; F1201-T1439 WeakPolarHBondContact CZ-O 3.38Å; F1201-L1441 HydrophobicContact CB-CD1 3.91Å; F1201-L1441 HydrophobicContact CD1-CB 3.74Å; F1201-L1441 HydrophobicContact CD1-CD1 4.34Å; F1201-L1441 HydrophobicContact CD1-CD2 4.05Å; F1201-L1441 HydrophobicContact CD1-CG 4.26Å; F1201-L1441 HydrophobicContact CD2-CB 4.47Å; F1201-L1441 HydrophobicContact CE1-CB 3.89Å; F1201-L1441 HydrophobicContact CG-CB 4.07Å; F1201-L1441 HydrophobicContact CG-CD1 4.04Å; F1201-L1441 HydrophobicContact CG-CG 4.43Å; F1201-L1441 HydrophobicContact CZ-CB 4.32Å |
| 1202 | H | 73.7 | Confident | 69 | Low | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 178.2 | -84.3 | -57.6 | 0 | 0 | 0 | 112.6 | N125 D130 S1198 I1199 I1200 N1205 S1206 | N125-H1202 PolarHBondContact O-CE1 3.21Å; D130-H1202 IonicContact OD1-NE2 3.99Å; D130-H1202 IonicContact OD2-CD2 2.68Å; D130-H1202 IonicContact OD2-CE1 2.78Å; D130-H1202 PolarHBondContact OD2-CE1 3.42Å; D130-H1202 IonicContact OD2-NE2 2.87Å; D130-H1202 PolarHBondContact OD2-NE2 3.44Å; S1198-H1202 PolarHBondContact O-CD2 3.2Å; S1198-H1202 VanDerWaalsContact O-CD2 3.3Å; S1198-H1202 PolarHBondContact O-N 3Å; I1199-H1202 PolarHBondContact O-N 3.18Å; I1200-H1202 PolarHBondContact O-N 2.56Å; H1202-N1205 PolarHBondContact O-N 2.89Å; H1202-S1206 WeakPolarHBondContact O-CB 3.44Å; H1202-S1206 PolarHBondContact O-N 3.35Å |
| 1203 | S | 68.9 | Low | 67.1 | Low | 53 Ų | 53 | 62.3 Ų | 62.3 | 37% | 0.371 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 173.2 | -165.1 | 0 | 0 | 0 | 0 | 112.5 | I1199 I1200 F1201 | I1199-S1203 WeakPolarHBondContact O-CB 3.44Å; I1199-S1203 PolarHBondContact O-N 3.04Å; I1200-S1203 WeakPolarHBondContact O-CB 3.41Å; I1200-S1203 PolarHBondContact O-N 3.31Å; F1201-S1203 VanDerWaalsContact C-N 3.31Å; F1201-S1203 PolarHBondContact O-N 3.03Å |
| 1204 | T | 70.4 | Confident | 65.1 | Low | 76 Ų | 76 | 65.5 Ų | 65.5 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -77.1 | -25.8 | 178.1 | 49.6 | 0 | 0 | 0 | 0 | 113.9 | I1200 F1201 S1207 N1208 | I1200-T1204 PolarHBondContact O-N 2.79Å; I1200-T1204 PolarHBondContact O-OG1 3.48Å; I1200-T1204 VanDerWaalsContact O-OG1 3.13Å; F1201-T1204 WeakPolarHBondContact CA-OG1 3.31Å; F1201-T1204 PolarHBondContact O-N 3.48Å; F1201-T1204 VanDerWaalsContact O-N 3.15Å; F1201-T1204 PolarHBondContact O-OG1 3.16Å; T1204-S1207 PolarHBondContact O-OG 2.67Å; T1204-N1208 VanDerWaalsContact O-CG 3.31Å; T1204-N1208 PolarHBondContact O-ND2 2.74Å; T1204-N1208 PolarHBondContact O-OD1 2.91Å |
| 1205 | N | 65.9 | Low | 63 | Low | 51 Ų | 51 | 72.6 Ų | 72.6 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -78.8 | -33.7 | 174.5 | -159.4 | 44.9 | 0 | 0 | 0 | 111.4 | F1201 H1202 S1207 N1208 | F1201-N1205 PolarHBondContact O-N 3.17Å; H1202-N1205 PolarHBondContact O-N 2.89Å; N1205-S1207 VanDerWaalsContact C-N 3.27Å; N1205-S1207 PolarHBondContact O-N 3.23Å; N1205-N1208 PolarHBondContact O-N 2.95Å |
| 1206 | S | 58.7 | Low | 61.1 | Low | 46 Ų | 46 | 80.5 Ų | 80.5 | 32% | 0.322 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.9 | -19.8 | 179.6 | -173.8 | 0 | 0 | 0 | 0 | 114.7 | H1202 | H1202-S1206 WeakPolarHBondContact O-CB 3.44Å; H1202-S1206 PolarHBondContact O-N 3.35Å |
| 1207 | S | 55 | Low | 59.1 | Low | 55 Ų | 55 | 81.8 Ų | 81.8 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -76.6 | -43.6 | 172.2 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | T1204 N1205 I1209 L1210 | T1204-S1207 PolarHBondContact O-OG 2.67Å; N1205-S1207 VanDerWaalsContact C-N 3.27Å; N1205-S1207 PolarHBondContact O-N 3.23Å; S1207-I1209 PolarHBondContact O-N 3.37Å; S1207-I1209 VanDerWaalsContact O-N 3.09Å; S1207-L1210 PolarHBondContact O-N 3.06Å |
| 1208 | N | 51.5 | Low | 57.2 | Low | 89 Ų | 89 | 84.5 Ų | 84.5 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.5 | -16.2 | -167.5 | -56.5 | -8 | 0 | 0 | 0 | 113.9 | T1204 N1205 N1212 | T1204-N1208 VanDerWaalsContact O-CG 3.31Å; T1204-N1208 PolarHBondContact O-ND2 2.74Å; T1204-N1208 PolarHBondContact O-OD1 2.91Å; N1205-N1208 PolarHBondContact O-N 2.95Å; N1208-N1212 PolarHBondContact O-ND2 3.13Å |
| 1209 | I | 50.7 | Low | 55.3 | Low | 76 Ų | 76 | 90.4 Ų | 90.4 | 39% | 0.39 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.5 | -29.6 | 175.4 | -64.3 | 171.9 | 0 | 0 | 0 | 111.2 | N125 S1207 | N125-I1209 WeakPolarHBondContact OD1-CD1 3.45Å; S1207-I1209 PolarHBondContact O-N 3.37Å; S1207-I1209 VanDerWaalsContact O-N 3.09Å |
| 1210 | L | 45.9 | Very low | 53.7 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.2 | -37.1 | -174.3 | -151.2 | 75.1 | 0 | 0 | 0 | 112.2 | S1207 N1214 | S1207-L1210 PolarHBondContact O-N 3.06Å; L1210-N1214 PolarHBondContact O-ND2 3.46Å |
| 1211 | D | 47.6 | Very low | 51.8 | Low | 114 Ų | 114 | 98 Ų | 98 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -73 | -31.5 | -178 | -63.4 | -31 | 0 | 0 | 0 | 112.9 | ||
| 1212 | N | 46.3 | Very low | 49.7 | Very low | 126 Ų | 126 | 101.5 Ų | 101.5 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -73.1 | -27.9 | -176.8 | -80.8 | -55.5 | 0 | 0 | 0 | 113.9 | N1208 | N1208-N1212 PolarHBondContact O-ND2 3.13Å |
| 1213 | N | 46.2 | Very low | 47.7 | Very low | 130 Ų | 130 | 109.4 Ų | 109.4 | 70% | 0.695 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.1 | -17 | -176.2 | -75.2 | -12.5 | 0 | 0 | 0 | 113.9 | ||
| 1214 | N | 44 | Very low | 46 | Very low | 117 Ų | 117 | 114 Ų | 114 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -88.3 | 1 | -174.2 | -70.9 | -24.6 | 0 | 0 | 0 | 114.3 | L1210 | L1210-N1214 PolarHBondContact O-ND2 3.46Š|
| 1215 | H | 44.7 | Very low | 44.1 | Very low | 165 Ų | 165 | 120.5 Ų | 120.5 | 76% | 0.764 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -87.3 | -3.9 | -168.5 | -121.5 | -52.3 | 0 | 0 | 0 | 116.2 | ||
| 1216 | N | 44.2 | Very low | 42.4 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 88% | 0.882 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -116.6 | 10.5 | -171.1 | -76.8 | -17.1 | 0 | 0 | 0 | 115.2 | ||
| 1217 | S | 41.1 | Very low | 41.1 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | trans | -124.2 | 99.5 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1218 | S | 40.8 | Very low | 39.9 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -71.5 | 151.8 | 176.7 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1219 | T | 38.8 | Very low | 38.8 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 49.8 | 94.5 | 159.6 | 54.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1220 | D | 39 | Very low | 37.7 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | -164.6 | 166.8 | 102.7 | -119.5 | -36.5 | 0 | 0 | 0 | 115.5 | S1222 | D1220-S1222 PolarHBondContact O-N 2.94Š| |||
| 1221 | N | 36.6 | Very low | 37.1 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -64.2 | 111.6 | -166.7 | -64.4 | -85.8 | 0 | 0 | 0 | 115.6 | ||||
| 1222 | S | 33.9 | Very low | 36.4 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -153.3 | 92.7 | 161.1 | 49.6 | 0 | 0 | 0 | 0 | 114 | D1220 Q1224 | D1220-S1222 PolarHBondContact O-N 2.94Å; S1222-Q1224 PolarHBondContact O-N 3.32Å | ||
| 1223 | N | 32.3 | Very low | 36 | Very low | 178 Ų | 178 | 147 Ų | 147 | 95% | 0.952 | 79% | 0.785 | S | S | * | * | trans | -77.8 | 79.6 | 176.5 | -75.7 | -35.1 | 0 | 0 | 0 | 112.1 | ||||
| 1224 | Q | 32.9 | Very low | 35.4 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 160.2 | 169.6 | -119.9 | 172.3 | 9.5 | 0 | 0 | 111.3 | S1222 | S1222-Q1224 PolarHBondContact O-N 3.32Š| ||
| 1225 | Y | 29.6 | Very low | 34.9 | Very low | 214 Ų | 214 | 144.8 Ų | 144.8 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 69 | 31.3 | 178.3 | -45.8 | -70.6 | 0 | 0 | 0 | 117.9 | ||
| 1226 | Q | 30.9 | Very low | 34 | Very low | 192 Ų | 192 | 144 Ų | 144 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -127 | 53.4 | 168.3 | -157.5 | 177.5 | 62.7 | 0 | 0 | 113.5 | ||||
| 1227 | S | 31.3 | Very low | 33.4 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -164.7 | 82.2 | 172 | 36.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1228 | L | 28.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 145.4 Ų | 145.4 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -137.3 | 18.3 | 163.4 | -149.6 | 74 | 0 | 0 | 0 | 114.7 | ||
| 1229 | F | 28.6 | Very low | 32.3 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -135.3 | 139.2 | 160.4 | -76.8 | -78.3 | 0 | 0 | 0 | 109.3 | ||
| 1230 | I | 27.9 | Very low | 31.9 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 80% | 0.796 | S | S | * | * | trans | 65.2 | 91.3 | -178.4 | -45.3 | 172.6 | 0 | 0 | 0 | 113.7 | T1232 | I1230-T1232 HydrophobicContact CG2-CG2 4.23Š| ||
| 1231 | T | 34.1 | Very low | 31.6 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -128.8 | 119.3 | 150.5 | -47 | 0 | 0 | 0 | 0 | 108.5 | Q1233 | T1231-Q1233 PolarHBondContact O-N 2.96Š| ||
| 1232 | T | 32.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -89.9 | 79 | -165.8 | 38.2 | 0 | 0 | 0 | 0 | 112.7 | I1230 | I1230-T1232 HydrophobicContact CG2-CG2 4.23Š| ||
| 1233 | Q | 39.3 | Very low | 31.2 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -159.5 | 86.3 | 163.1 | -117.1 | 166.7 | 47.7 | 0 | 0 | 116.1 | T1231 T1235 | T1231-Q1233 PolarHBondContact O-N 2.96Å; Q1233-T1235 VanDerWaalsContact C-N 3.28Å; Q1233-T1235 PolarHBondContact O-N 3.4Å; Q1233-T1235 PolarHBondContact O-OG1 3.43Å | ||
| 1234 | G | 32.7 | Very low | 31.2 | Very low | 90 Ų | 90 | 147.7 Ų | 147.7 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | 58.1 | -9.1 | 124.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1235 | T | 32.6 | Very low | 31.1 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | -104.6 | 113.8 | -164.7 | -47.3 | 0 | 0 | 0 | 0 | 113.1 | Q1233 L1237 | Q1233-T1235 VanDerWaalsContact C-N 3.28Å; Q1233-T1235 PolarHBondContact O-N 3.4Å; Q1233-T1235 PolarHBondContact O-OG1 3.43Å; T1235-L1237 HydrophobicContact CG2-CD2 4.27Å; T1235-L1237 HydrophobicContact CG2-CG 4.09Å; T1235-L1237 PolarHBondContact O-N 2.96Å | ||
| 1236 | L | 27 | Very low | 31.4 | Very low | 149 Ų | 149 | 148.9 Ų | 148.9 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -74.8 | 98.5 | 168.7 | -84.9 | 160.2 | 0 | 0 | 0 | 110.4 | F1238 | L1236-F1238 HydrophobicContact CD2-CD2 4.13Å; L1236-F1238 HydrophobicContact CD2-CE2 3.95Å | ||
| 1237 | L | 30.2 | Very low | 31.6 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -101.4 | 79 | 165 | -68 | -176.4 | 0 | 0 | 0 | 111 | T1235 | T1235-L1237 HydrophobicContact CG2-CD2 4.27Å; T1235-L1237 HydrophobicContact CG2-CG 4.09Å; T1235-L1237 PolarHBondContact O-N 2.96Å | ||
| 1238 | F | 30.2 | Very low | 31.7 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 61% | 0.605 | 80% | 0.803 | S | S | * | * | trans | -67.3 | 132.7 | 151.9 | -84.8 | -86.8 | 0 | 0 | 0 | 108.6 | L1236 | L1236-F1238 HydrophobicContact CD2-CD2 4.13Å; L1236-F1238 HydrophobicContact CD2-CE2 3.95Å | ||
| 1239 | F | 29.5 | Very low | 31.9 | Very low | 194 Ų | 194 | 148 Ų | 148 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 55.3 | 87.8 | 172.2 | -58.1 | -75 | 0 | 0 | 0 | 116.6 | ||||
| 1240 | G | 30.3 | Very low | 32.2 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -123.9 | 109.9 | 160 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1241 | N | 31.9 | Very low | 32.8 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -73 | 138.4 | 173.5 | -68.8 | -23.1 | 0 | 0 | 0 | 110.2 | ||||
| 1242 | N | 33.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | trans | 159.8 | 153.4 | 130.3 | -79 | -21.4 | 0 | 0 | 0 | 112 | ||||
| 1243 | S | 29.1 | Very low | 33.6 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 57.4 | 82.6 | 166.8 | -175.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1244 | M | 31.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -135.8 | 38 | 157.3 | -158.5 | 71.7 | 164.4 | 0 | 0 | 112 | R1246 | M1244-R1246 PolarHBondContact O-N 2.82Š| ||
| 1245 | N | 32.7 | Very low | 34.8 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -74.3 | 50.6 | 170.8 | -77.9 | 8.3 | 0 | 0 | 0 | 111.7 | ||||
| 1246 | R | 33.9 | Very low | 35.8 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -98.7 | 84.7 | 162.4 | -81.3 | -168.1 | 173.9 | -169.4 | -0.9 | 108.3 | M1244 F1248 | M1244-R1246 PolarHBondContact O-N 2.82Å; R1246-F1248 PolarHBondContact O-N 3.37Å | ||
| 1247 | T | 35.2 | Very low | 37.3 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -49.8 | 127.1 | 158.3 | 39.4 | 0 | 0 | 0 | 0 | 108.7 | N1249 | T1247-N1249 PolarHBondContact O-N 2.92Š| ||
| 1248 | F | 34.4 | Very low | 39.1 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | trans | -65.7 | 105.6 | 173.9 | -127.3 | -96.4 | 0 | 0 | 0 | 107.1 | R1246 T1250 | R1246-F1248 PolarHBondContact O-N 3.37Å; F1248-T1250 PolarHBondContact O-N 3.32Å | ||
| 1249 | N | 32.8 | Very low | 40.8 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -77.6 | 95.5 | -173.8 | -164.7 | 1.4 | 0 | 0 | 0 | 109.6 | T1247 N1251 | T1247-N1249 PolarHBondContact O-N 2.92Å; N1249-N1251 PolarHBondContact O-N 3.12Å; N1249-N1251 VanDerWaalsContact O-N 3.14Å; N1249-N1251 PolarHBondContact OD1-ND2 3.36Å | ||
| 1250 | T | 35.3 | Very low | 42.4 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | trans | -68.1 | 101.9 | -175.3 | 44.9 | 0 | 0 | 0 | 0 | 111.3 | F1248 | F1248-T1250 PolarHBondContact O-N 3.32Š| ||
| 1251 | N | 39.3 | Very low | 43.8 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -142.3 | -16.1 | 170.4 | -82.7 | -71.6 | 0 | 0 | 0 | 114.6 | N1249 | N1249-N1251 PolarHBondContact O-N 3.12Å; N1249-N1251 VanDerWaalsContact O-N 3.14Å; N1249-N1251 PolarHBondContact OD1-ND2 3.36Å |
| 1252 | N | 36.5 | Very low | 45.5 | Very low | 168 Ų | 168 | 121 Ų | 121 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -137.3 | 61.5 | -174.6 | -77.7 | -50.2 | 0 | 0 | 0 | 112.6 | ||
| 1253 | A | 46.2 | Very low | 47.2 | Very low | 69 Ų | 69 | 121 Ų | 121 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | trans | -152.3 | 112.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1255 G1256 | A1253-F1255 PolarHBondContact O-N 3.23Å; A1253-G1256 PolarHBondContact O-N 3.46Å | ||
| 1254 | V | 50.8 | Low | 48.8 | Very low | 141 Ų | 141 | 118.9 Ų | 118.9 | 86% | 0.855 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -11.6 | -170.3 | 179.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1255 | F | 48.3 | Very low | 50.3 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.3 | -1.6 | 177 | -79.9 | -89.7 | 0 | 0 | 0 | 114.9 | A1253 D1257 T1258 | A1253-F1255 PolarHBondContact O-N 3.23Å; F1255-D1257 PolarHBondContact O-N 2.94Å; F1255-T1258 HydrophobicContact CD1-CG2 3.99Å; F1255-T1258 PolarHBondContact O-N 3.21Å; F1255-T1258 PolarHBondContact O-OG1 3.18Å |
| 1256 | G | 52.9 | Low | 52 | Low | 34 Ų | 34 | 111.9 Ų | 111.9 | 35% | 0.351 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.6 | -45 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1253 T1258 | A1253-G1256 PolarHBondContact O-N 3.46Å; G1256-T1258 VanDerWaalsContact C-N 3.27Å; G1256-T1258 PolarHBondContact O-N 3.18Å |
| 1257 | D | 57.7 | Low | 53.6 | Low | 141 Ų | 141 | 105.1 Ų | 105.1 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | 0.6 | -177.1 | -47.4 | -49.6 | 0 | 0 | 0 | 113.1 | F1255 | F1255-D1257 PolarHBondContact O-N 2.94Š|
| 1258 | T | 68.9 | Low | 55 | Low | 43 Ų | 43 | 102 Ų | 102 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -80.4 | 139.9 | -179.8 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | F1255 G1256 I1260 G1261 L1262 | F1255-T1258 HydrophobicContact CD1-CG2 3.99Å; F1255-T1258 PolarHBondContact O-N 3.21Å; F1255-T1258 PolarHBondContact O-OG1 3.18Å; G1256-T1258 VanDerWaalsContact C-N 3.27Å; G1256-T1258 PolarHBondContact O-N 3.18Å; T1258-I1260 PolarHBondContact O-N 3.07Å; T1258-I1260 VanDerWaalsContact O-N 3.11Å; T1258-G1261 WeakPolarHBondContact O-CA 3.38Å; T1258-G1261 PolarHBondContact O-N 3.24Å; T1258-G1261 PolarHBondContact OG1-N 3.09Å; T1258-L1262 PolarHBondContact O-N 2.92Å |
| 1259 | V | 65.7 | Low | 56.4 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -53.1 | -33.4 | 171.2 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | L1262 Y1263 | V1259-L1262 PolarHBondContact O-N 2.83Å; V1259-Y1263 HydrophobicContact CG1-CD2 3.68Å; V1259-Y1263 HydrophobicContact CG1-CE2 3.54Å; V1259-Y1263 WeakPolarHBondContact O-CD2 3.34Å; V1259-Y1263 PolarHBondContact O-N 2.79Å |
| 1260 | I | 62.9 | Low | 58 | Low | 115 Ų | 115 | 95.5 Ų | 95.5 | 59% | 0.59 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66 | -43.2 | 175.1 | -60.3 | 168.6 | 0 | 0 | 0 | 111.4 | T1258 Y1263 L1264 | T1258-I1260 PolarHBondContact O-N 3.07Å; T1258-I1260 VanDerWaalsContact O-N 3.11Å; I1260-Y1263 PolarHBondContact O-N 3.11Å; I1260-L1264 HydrophobicContact CG2-CD1 4.11Å; I1260-L1264 WeakPolarHBondContact O-CB 3.05Å; I1260-L1264 WeakPolarHBondContact O-CG 3.42Å; I1260-L1264 PolarHBondContact O-N 2.86Å |
| 1261 | G | 60.3 | Low | 59.3 | Low | 18 Ų | 18 | 96.9 Ų | 96.9 | 19% | 0.186 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1258 L1264 H1265 | T1258-G1261 WeakPolarHBondContact O-CA 3.38Å; T1258-G1261 PolarHBondContact O-N 3.24Å; T1258-G1261 PolarHBondContact OG1-N 3.09Å; G1261-L1264 PolarHBondContact O-N 3.33Å; G1261-H1265 WeakPolarHBondContact O-CB 3.46Å; G1261-H1265 PolarHBondContact O-N 2.97Å |
| 1262 | L | 66.5 | Low | 60.3 | Low | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 174.8 | -68.8 | 171.3 | 0 | 0 | 0 | 112.2 | T1258 V1259 H1265 A1266 | T1258-L1262 PolarHBondContact O-N 2.92Å; V1259-L1262 PolarHBondContact O-N 2.83Å; L1262-H1265 PolarHBondContact O-N 3.37Å; L1262-A1266 WeakPolarHBondContact O-CB 3.41Å; L1262-A1266 PolarHBondContact O-N 3.44Å |
| 1263 | Y | 69.4 | Low | 61.6 | Low | 158 Ų | 158 | 90.9 Ų | 90.9 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 174.1 | -85.4 | -62.8 | 0 | 0 | 0 | 112.5 | V1259 I1260 A1266 I1267 | V1259-Y1263 HydrophobicContact CG1-CD2 3.68Å; V1259-Y1263 HydrophobicContact CG1-CE2 3.54Å; V1259-Y1263 WeakPolarHBondContact O-CD2 3.34Å; V1259-Y1263 PolarHBondContact O-N 2.79Å; I1260-Y1263 PolarHBondContact O-N 3.11Å; Y1263-A1266 PolarHBondContact O-N 3.43Å; Y1263-I1267 WeakPolarHBondContact O-CB 3.44Å; Y1263-I1267 WeakPolarHBondContact O-CD1 3.24Å; Y1263-I1267 WeakPolarHBondContact O-CG1 3.43Å; Y1263-I1267 PolarHBondContact O-N 3.14Å |
| 1264 | L | 64 | Low | 62.3 | Low | 72 Ų | 72 | 92.2 Ų | 92.2 | 38% | 0.377 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.2 | -78.3 | 168.8 | 0 | 0 | 0 | 111.4 | I1260 G1261 I1267 L1268 | I1260-L1264 HydrophobicContact CG2-CD1 4.11Å; I1260-L1264 WeakPolarHBondContact O-CB 3.05Å; I1260-L1264 WeakPolarHBondContact O-CG 3.42Å; I1260-L1264 PolarHBondContact O-N 2.86Å; G1261-L1264 PolarHBondContact O-N 3.33Å; L1264-I1267 PolarHBondContact O-N 2.91Å; L1264-L1268 WeakPolarHBondContact O-CB 3.34Å; L1264-L1268 WeakPolarHBondContact O-CD1 3.43Å; L1264-L1268 PolarHBondContact O-N 3.1Å |
| 1265 | H | 62.5 | Low | 62.8 | Low | 135 Ų | 135 | 91.5 Ų | 91.5 | 63% | 0.625 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -43.5 | 176.5 | -174.7 | -104 | 0 | 0 | 0 | 112 | G1261 L1262 L1268 S1269 | G1261-H1265 WeakPolarHBondContact O-CB 3.46Å; G1261-H1265 PolarHBondContact O-N 2.97Å; L1262-H1265 PolarHBondContact O-N 3.37Å; H1265-L1268 PolarHBondContact O-N 3.39Å; H1265-S1269 WeakPolarHBondContact O-CB 3.48Å; H1265-S1269 PolarHBondContact O-N 3.02Å |
| 1266 | A | 68 | Low | 63.4 | Low | 50 Ų | 50 | 88.6 Ų | 88.6 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1262 Y1263 S1269 L1270 | L1262-A1266 WeakPolarHBondContact O-CB 3.41Å; L1262-A1266 PolarHBondContact O-N 3.44Å; Y1263-A1266 PolarHBondContact O-N 3.43Å; A1266-S1269 PolarHBondContact O-N 2.86Å; A1266-L1270 WeakPolarHBondContact O-CB 3.44Å; A1266-L1270 PolarHBondContact O-N 3.02Å |
| 1267 | I | 67.1 | Low | 63.7 | Low | 82 Ų | 82 | 90.3 Ų | 90.3 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 177 | -70.9 | 165 | 0 | 0 | 0 | 110.9 | Y1263 L1264 S1269 L1270 F1271 | Y1263-I1267 WeakPolarHBondContact O-CB 3.44Å; Y1263-I1267 WeakPolarHBondContact O-CD1 3.24Å; Y1263-I1267 WeakPolarHBondContact O-CG1 3.43Å; Y1263-I1267 PolarHBondContact O-N 3.14Å; L1264-I1267 PolarHBondContact O-N 2.91Å; I1267-S1269 VanDerWaalsContact C-N 3.34Å; I1267-S1269 PolarHBondContact O-N 2.88Å; I1267-L1270 PolarHBondContact O-N 3.36Å; I1267-F1271 HydrophobicContact CG2-CD2 3.85Å; I1267-F1271 HydrophobicContact CG2-CE2 4.08Å; I1267-F1271 WeakPolarHBondContact O-CD2 3.32Å; I1267-F1271 PolarHBondContact O-N 3.38Å |
| 1268 | L | 65 | Low | 64 | Low | 63 Ų | 63 | 87.2 Ų | 87.2 | 33% | 0.33 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.4 | -98.2 | 66.6 | 0 | 0 | 0 | 111.7 | L1264 H1265 F1271 G1272 F1317 | L1264-L1268 WeakPolarHBondContact O-CB 3.34Å; L1264-L1268 WeakPolarHBondContact O-CD1 3.43Å; L1264-L1268 PolarHBondContact O-N 3.1Å; H1265-L1268 PolarHBondContact O-N 3.39Å; L1268-F1271 PolarHBondContact O-N 3.25Å; L1268-G1272 PolarHBondContact O-N 2.94Å; L1268-F1317 HydrophobicContact CD2-CD2 4.05Å; L1268-F1317 HydrophobicContact CD2-CE1 4.36Å; L1268-F1317 HydrophobicContact CD2-CE2 3.7Å; L1268-F1317 HydrophobicContact CD2-CZ 3.86Å |
| 1269 | S | 65.2 | Low | 63.5 | Low | 60 Ų | 60 | 85.6 Ų | 85.6 | 42% | 0.42 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.3 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | H1265 A1266 I1267 G1272 H1273 | H1265-S1269 WeakPolarHBondContact O-CB 3.48Å; H1265-S1269 PolarHBondContact O-N 3.02Å; A1266-S1269 PolarHBondContact O-N 2.86Å; I1267-S1269 VanDerWaalsContact C-N 3.34Å; I1267-S1269 PolarHBondContact O-N 2.88Å; S1269-G1272 PolarHBondContact O-N 3.45Å; S1269-H1273 PolarHBondContact O-N 2.86Å |
| 1270 | L | 65.3 | Low | 63.3 | Low | 113 Ų | 113 | 86 Ų | 86 | 59% | 0.592 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 174 | -110.5 | 163.6 | 0 | 0 | 0 | 112.4 | A1266 I1267 G1272 H1273 L1274 | A1266-L1270 WeakPolarHBondContact O-CB 3.44Å; A1266-L1270 PolarHBondContact O-N 3.02Å; I1267-L1270 PolarHBondContact O-N 3.36Å; L1270-G1272 VanDerWaalsContact C-N 3.34Å; L1270-H1273 PolarHBondContact O-N 3.26Å; L1270-L1274 WeakPolarHBondContact O-CB 3.16Å; L1270-L1274 WeakPolarHBondContact O-CG 3.47Å; L1270-L1274 PolarHBondContact O-N 3.4Å |
| 1271 | F | 62.6 | Low | 63.2 | Low | 125 Ų | 125 | 87.6 Ų | 87.6 | 55% | 0.548 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 173.2 | -94.8 | -82.9 | 0 | 0 | 0 | 112 | I1267 L1268 L1274 F1275 | I1267-F1271 HydrophobicContact CG2-CD2 3.85Å; I1267-F1271 HydrophobicContact CG2-CE2 4.08Å; I1267-F1271 WeakPolarHBondContact O-CD2 3.32Å; I1267-F1271 PolarHBondContact O-N 3.38Å; L1268-F1271 PolarHBondContact O-N 3.25Å; F1271-L1274 PolarHBondContact O-N 2.98Å; F1271-F1275 WeakPolarHBondContact O-CB 3.28Å; F1271-F1275 PolarHBondContact O-N 2.93Å |
| 1272 | G | 60.3 | Low | 63.3 | Low | 40 Ų | 40 | 90.8 Ų | 90.8 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1268 S1269 L1270 F1275 S1276 | L1268-G1272 PolarHBondContact O-N 2.94Å; S1269-G1272 PolarHBondContact O-N 3.45Å; L1270-G1272 VanDerWaalsContact C-N 3.34Å; G1272-F1275 PolarHBondContact O-N 3.36Å; G1272-S1276 WeakPolarHBondContact O-CB 3.43Å; G1272-S1276 PolarHBondContact O-N 2.94Å |
| 1273 | H | 63.9 | Low | 62.9 | Low | 129 Ų | 129 | 88.2 Ų | 88.2 | 60% | 0.597 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66 | -38.4 | 173.8 | -91.6 | -85.5 | 0 | 0 | 0 | 112.8 | S1269 L1270 T1277 | S1269-H1273 PolarHBondContact O-N 2.86Å; L1270-H1273 PolarHBondContact O-N 3.26Å; H1273-T1277 WeakPolarHBondContact O-CB 3.39Å; H1273-T1277 WeakPolarHBondContact O-CG2 3.47Å; H1273-T1277 PolarHBondContact O-N 3.12Å; H1273-T1277 PolarHBondContact O-OG1 2.97Å |
| 1274 | L | 61.5 | Low | 62.5 | Low | 97 Ų | 97 | 83.4 Ų | 83.4 | 51% | 0.508 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 174.1 | -81.8 | 166.2 | 0 | 0 | 0 | 112.1 | L1270 F1271 T1277 V1278 | L1270-L1274 WeakPolarHBondContact O-CB 3.16Å; L1270-L1274 WeakPolarHBondContact O-CG 3.47Å; L1270-L1274 PolarHBondContact O-N 3.4Å; F1271-L1274 PolarHBondContact O-N 2.98Å; L1274-T1277 PolarHBondContact O-OG1 3.44Å; L1274-V1278 WeakPolarHBondContact O-CB 3.45Å; L1274-V1278 VanDerWaalsContact O-CG2 3.26Å; L1274-V1278 WeakPolarHBondContact O-CG2 3.36Å; L1274-V1278 PolarHBondContact O-N 3.26Å |
| 1275 | F | 60.2 | Low | 62.2 | Low | 126 Ų | 126 | 84.5 Ų | 84.5 | 55% | 0.553 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 175.7 | -109.4 | -90.2 | 0 | 0 | 0 | 111.5 | F1271 G1272 V1278 S1279 | F1271-F1275 WeakPolarHBondContact O-CB 3.28Å; F1271-F1275 PolarHBondContact O-N 2.93Å; G1272-F1275 PolarHBondContact O-N 3.36Å; F1275-V1278 PolarHBondContact O-N 3.4Å; F1275-S1279 WeakPolarHBondContact O-CB 3.26Å; F1275-S1279 PolarHBondContact O-N 2.74Å; F1275-S1279 PolarHBondContact O-OG 2.95Å; F1275-S1279 VanDerWaalsContact O-OG 3.14Å |
| 1276 | S | 61.3 | Low | 61.9 | Low | 52 Ų | 52 | 84.8 Ų | 84.8 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -50.4 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | G1272 V1278 S1279 I1280 | G1272-S1276 WeakPolarHBondContact O-CB 3.43Å; G1272-S1276 PolarHBondContact O-N 2.94Å; S1276-V1278 VanDerWaalsContact C-N 3.31Å; S1276-V1278 PolarHBondContact O-N 3.42Å; S1276-S1279 PolarHBondContact O-N 3.06Å; S1276-I1280 WeakPolarHBondContact O-CB 3.19Å; S1276-I1280 WeakPolarHBondContact O-CD1 3.28Å; S1276-I1280 WeakPolarHBondContact O-CG1 3.24Å; S1276-I1280 PolarHBondContact O-N 3.36Å |
| 1277 | T | 60.1 | Low | 61.3 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67 | -27.7 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | H1273 L1274 K1281 | H1273-T1277 WeakPolarHBondContact O-CB 3.39Å; H1273-T1277 WeakPolarHBondContact O-CG2 3.47Å; H1273-T1277 PolarHBondContact O-N 3.12Å; H1273-T1277 PolarHBondContact O-OG1 2.97Å; L1274-T1277 PolarHBondContact O-OG1 3.44Å; T1277-K1281 WeakPolarHBondContact O-CG 3.38Å; T1277-K1281 PolarHBondContact O-N 3.42Å |
| 1278 | V | 62.5 | Low | 60.6 | Low | 77 Ų | 77 | 88 Ų | 88 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77.1 | -45.1 | 171.9 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | L1274 F1275 S1276 K1281 I1282 | L1274-V1278 WeakPolarHBondContact O-CB 3.45Å; L1274-V1278 VanDerWaalsContact O-CG2 3.26Å; L1274-V1278 WeakPolarHBondContact O-CG2 3.36Å; L1274-V1278 PolarHBondContact O-N 3.26Å; F1275-V1278 PolarHBondContact O-N 3.4Å; S1276-V1278 VanDerWaalsContact C-N 3.31Å; S1276-V1278 PolarHBondContact O-N 3.42Å; V1278-K1281 PolarHBondContact O-N 3.41Å; V1278-I1282 HydrophobicContact CG1-CD1 3.78Å; V1278-I1282 HydrophobicContact CG1-CG1 4.44Å; V1278-I1282 WeakPolarHBondContact O-CG1 3.23Å; V1278-I1282 PolarHBondContact O-N 2.88Å |
| 1279 | S | 58.6 | Low | 60.1 | Low | 8 Ų | 8 | 88.7 Ų | 88.7 | 6% | 0.056 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 179.2 | -71.6 | 0 | 0 | 0 | 0 | 112.3 | F1275 S1276 I1282 H1283 V1308 | F1275-S1279 WeakPolarHBondContact O-CB 3.26Å; F1275-S1279 PolarHBondContact O-N 2.74Å; F1275-S1279 PolarHBondContact O-OG 2.95Å; F1275-S1279 VanDerWaalsContact O-OG 3.14Å; S1276-S1279 PolarHBondContact O-N 3.06Å; S1279-I1282 PolarHBondContact O-N 2.8Å; S1279-H1283 WeakPolarHBondContact O-CB 3.26Å; S1279-H1283 PolarHBondContact O-N 2.95Å; S1279-V1308 WeakPolarHBondContact OG-CG1 3.26Å; S1279-V1308 PolarHBondContact OG-O 3.47Å |
| 1280 | I | 62.3 | Low | 59.2 | Low | 107 Ų | 107 | 92.5 Ų | 92.5 | 55% | 0.549 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 171.7 | -70 | 164.8 | 0 | 0 | 0 | 110.7 | S1276 H1283 S1284 | S1276-I1280 WeakPolarHBondContact O-CB 3.19Å; S1276-I1280 WeakPolarHBondContact O-CD1 3.28Å; S1276-I1280 WeakPolarHBondContact O-CG1 3.24Å; S1276-I1280 PolarHBondContact O-N 3.36Å; I1280-H1283 PolarHBondContact O-N 3.05Å; I1280-S1284 PolarHBondContact O-N 3.46Å; I1280-S1284 PolarHBondContact O-OG 3.19Å |
| 1281 | K | 61.2 | Low | 58 | Low | 149 Ų | 149 | 93.2 Ų | 93.2 | 65% | 0.648 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 174 | -79.7 | 175.3 | 178.2 | 169.2 | 0 | 111.8 | T1277 V1278 S1284 T1285 | T1277-K1281 WeakPolarHBondContact O-CG 3.38Å; T1277-K1281 PolarHBondContact O-N 3.42Å; V1278-K1281 PolarHBondContact O-N 3.41Å; K1281-S1284 PolarHBondContact O-N 3.04Å; K1281-S1284 PolarHBondContact O-OG 2.92Å; K1281-T1285 WeakPolarHBondContact O-CG2 3.34Å; K1281-T1285 PolarHBondContact O-N 3.48Å; K1281-T1285 PolarHBondContact O-OG1 3.15Å |
| 1282 | I | 61.6 | Low | 57.1 | Low | 84 Ų | 84 | 96.6 Ų | 96.6 | 43% | 0.431 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 175.1 | -69.5 | 167.7 | 0 | 0 | 0 | 110.5 | V1278 S1279 S1284 T1285 F1286 | V1278-I1282 HydrophobicContact CG1-CD1 3.78Å; V1278-I1282 HydrophobicContact CG1-CG1 4.44Å; V1278-I1282 WeakPolarHBondContact O-CG1 3.23Å; V1278-I1282 PolarHBondContact O-N 2.88Å; S1279-I1282 PolarHBondContact O-N 2.8Å; I1282-S1284 PolarHBondContact O-N 3.34Å; I1282-T1285 WeakPolarHBondContact CA-OG1 3.24Å; I1282-T1285 CarbonylContact O-C 3.49Å; I1282-T1285 PolarHBondContact O-N 2.81Å; I1282-T1285 PolarHBondContact O-OG1 2.69Å; I1282-F1286 WeakPolarHBondContact O-CB 3.27Å; I1282-F1286 PolarHBondContact O-N 3.42Å |
| 1283 | H | 58.2 | Low | 56.2 | Low | 57 Ų | 57 | 99.8 Ų | 99.8 | 26% | 0.264 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55 | -49.6 | 176.1 | -176 | -81.5 | 0 | 0 | 0 | 111.7 | S1279 I1280 T1285 F1286 I1287 W1305 | S1279-H1283 WeakPolarHBondContact O-CB 3.26Å; S1279-H1283 PolarHBondContact O-N 2.95Å; I1280-H1283 PolarHBondContact O-N 3.05Å; H1283-T1285 PolarHBondContact O-N 3.46Å; H1283-F1286 PolarHBondContact O-N 3.47Å; H1283-I1287 WeakPolarHBondContact CE1-CD1 3.48Å; H1283-I1287 WeakPolarHBondContact O-CG1 3.43Å; H1283-I1287 PolarHBondContact O-N 3Å; H1283-W1305 HydrophobicContact CB-CH2 3.64Å; H1283-W1305 HydrophobicContact CB-CZ2 4.37Å; H1283-W1305 HydrophobicContact CB-CZ3 4.13Å; H1283-W1305 AromaticContact CD2-CE2 3.91Å; H1283-W1305 AromaticContact CD2-CH2 3.46Å; H1283-W1305 VanDerWaalsContact CD2-CH2 3.46Å; H1283-W1305 WeakPolarHBondContact CD2-CH2 3.32Å; H1283-W1305 AromaticContact CD2-CZ2 3.45Å; H1283-W1305 VanDerWaalsContact CD2-CZ2 3.45Å; H1283-W1305 WeakPolarHBondContact CD2-CZ2 3.17Å; H1283-W1305 AromaticContact CD2-CZ3 3.89Å; H1283-W1305 AromaticContact CG-CH2 3.88Å |
| 1284 | S | 60.7 | Low | 55.3 | Low | 56 Ų | 56 | 98.4 Ų | 98.4 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 174.2 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | I1280 K1281 I1282 F1286 I1287 D1288 | I1280-S1284 PolarHBondContact O-N 3.46Å; I1280-S1284 PolarHBondContact O-OG 3.19Å; K1281-S1284 PolarHBondContact O-N 3.04Å; K1281-S1284 PolarHBondContact O-OG 2.92Å; I1282-S1284 PolarHBondContact O-N 3.34Å; S1284-F1286 PolarHBondContact O-N 2.82Å; S1284-F1286 VanDerWaalsContact O-N 3.11Å; S1284-I1287 PolarHBondContact O-N 3.39Å; S1284-D1288 PolarHBondContact O-N 3.03Å |
| 1285 | T | 57.8 | Low | 54.2 | Low | 96 Ų | 96 | 99.8 Ų | 99.8 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.2 | -11.7 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 115.2 | K1281 I1282 H1283 | K1281-T1285 WeakPolarHBondContact O-CG2 3.34Å; K1281-T1285 PolarHBondContact O-N 3.48Å; K1281-T1285 PolarHBondContact O-OG1 3.15Å; I1282-T1285 WeakPolarHBondContact CA-OG1 3.24Å; I1282-T1285 CarbonylContact O-C 3.49Å; I1282-T1285 PolarHBondContact O-N 2.81Å; I1282-T1285 PolarHBondContact O-OG1 2.69Å; H1283-T1285 PolarHBondContact O-N 3.46Å |
| 1286 | F | 55.8 | Low | 53 | Low | 141 Ų | 141 | 98.8 Ų | 98.8 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -102.8 | -25.6 | 179.2 | -158 | -96 | 0 | 0 | 0 | 112.7 | I1282 H1283 S1284 T1289 | I1282-F1286 WeakPolarHBondContact O-CB 3.27Å; I1282-F1286 PolarHBondContact O-N 3.42Å; H1283-F1286 PolarHBondContact O-N 3.47Å; S1284-F1286 PolarHBondContact O-N 2.82Å; S1284-F1286 VanDerWaalsContact O-N 3.11Å; F1286-T1289 PolarHBondContact O-OG1 3.22Å |
| 1287 | I | 56 | Low | 52.3 | Low | 92 Ų | 92 | 99.3 Ų | 99.3 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -82.4 | -28.9 | 174.8 | -69.6 | -173.9 | 0 | 0 | 0 | 112.1 | H1283 S1284 T1289 | H1283-I1287 WeakPolarHBondContact CE1-CD1 3.48Å; H1283-I1287 WeakPolarHBondContact O-CG1 3.43Å; H1283-I1287 PolarHBondContact O-N 3Å; S1284-I1287 PolarHBondContact O-N 3.39Å; I1287-T1289 PolarHBondContact O-N 3.33Å |
| 1288 | D | 53.3 | Low | 52 | Low | 108 Ų | 108 | 103.4 Ų | 103.4 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -58.1 | -21.5 | 176 | -75.9 | -16.2 | 0 | 0 | 0 | 113.6 | S1284 N1290 | S1284-D1288 PolarHBondContact O-N 3.03Å; D1288-N1290 VanDerWaalsContact C-N 3.29Å; D1288-N1290 PolarHBondContact O-N 3.42Å |
| 1289 | T | 53.2 | Low | 51.5 | Low | 77 Ų | 77 | 103.1 Ų | 103.1 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -81.8 | 68.9 | 171.7 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | F1286 I1287 L1291 | F1286-T1289 PolarHBondContact O-OG1 3.22Å; I1287-T1289 PolarHBondContact O-N 3.33Å; T1289-L1291 PolarHBondContact O-N 3.08Å; T1289-L1291 VanDerWaalsContact O-N 3.16Å |
| 1290 | N | 46.2 | Very low | 51.3 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | trans | -61.7 | 110.1 | 173.6 | -84.5 | -76.1 | 0 | 0 | 0 | 112.7 | D1288 | D1288-N1290 VanDerWaalsContact C-N 3.29Å; D1288-N1290 PolarHBondContact O-N 3.42Å | ||
| 1291 | L | 40 | Very low | 51 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | trans | -141.6 | 112.8 | 147 | -161.2 | 76.1 | 0 | 0 | 0 | 109.7 | T1289 T1293 | T1289-L1291 PolarHBondContact O-N 3.08Å; T1289-L1291 VanDerWaalsContact O-N 3.16Å; L1291-T1293 HydrophobicContact CD2-CG2 4.3Å; L1291-T1293 HydrophobicContact CG-CG2 4.42Å; L1291-T1293 PolarHBondContact O-N 3.18Å; L1291-T1293 VanDerWaalsContact O-N 3.08Å | ||
| 1292 | Q | 44.9 | Very low | 50.9 | Low | 196 Ų | 196 | 104.7 Ų | 104.7 | 92% | 0.916 | 58% | 0.583 | S | S | * | * | trans | -85.2 | 80.5 | -169.1 | -171.1 | 172.5 | 0.7 | 0 | 0 | 111.6 | ||||
| 1293 | T | 40.1 | Very low | 50.7 | Low | 107 Ų | 107 | 104.5 Ų | 104.5 | 66% | 0.656 | 59% | 0.585 | S | S | * | * | trans | -114.4 | 87.5 | 175.7 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | L1291 | L1291-T1293 HydrophobicContact CD2-CG2 4.3Å; L1291-T1293 HydrophobicContact CG-CG2 4.42Å; L1291-T1293 PolarHBondContact O-N 3.18Å; L1291-T1293 VanDerWaalsContact O-N 3.08Å | ||
| 1294 | S | 44.8 | Very low | 50.7 | Low | 100 Ų | 100 | 107.7 Ų | 107.7 | 70% | 0.699 | 60% | 0.598 | S | S | * | * | trans | 16.2 | 130.2 | 145.2 | 58.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1295 | S | 38.8 | Very low | 50.8 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 88% | 0.881 | 59% | 0.592 | S | S | * | * | trans | 66.9 | 57.2 | 144.2 | -49.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1296 | C | 35.5 | Very low | 50.8 | Low | 106 Ų | 106 | 106.9 Ų | 106.9 | 72% | 0.716 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -131.8 | 100.8 | 161.4 | -157.3 | 0 | 0 | 0 | 0 | 111.4 | Q1298 | C1296-Q1298 PolarHBondContact O-N 3.34Š|
| 1297 | S | 46.9 | Very low | 51.1 | Low | 63 Ų | 63 | 103.5 Ų | 103.5 | 44% | 0.441 | 57% | 0.569 | S | S | . | * | trans | 36.2 | 72.5 | 160.9 | 52.5 | 0 | 0 | 0 | 0 | 117.7 | S1299 Y1300 | S1297-S1299 PolarHBondContact O-N 2.83Å; S1297-Y1300 PolarHBondContact O-N 3.32Å; S1297-Y1300 VanDerWaalsContact O-N 3.17Å; S1297-Y1300 WeakPolarHBondContact OG-CD2 3.27Å | ||
| 1298 | Q | 52.6 | Low | 51.3 | Low | 155 Ų | 155 | 100.4 Ų | 100.4 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -50.2 | -27.6 | 177.6 | -168 | 168.2 | -4.1 | 0 | 0 | 114.7 | C1296 C1301 I1302 | C1296-Q1298 PolarHBondContact O-N 3.34Å; Q1298-C1301 PolarHBondContact O-N 3Å; Q1298-I1302 HydrophobicContact CG-CD1 4.43Å; Q1298-I1302 PolarHBondContact O-N 3.13Å |
| 1299 | S | 52.1 | Low | 51.6 | Low | 70 Ų | 70 | 98.7 Ų | 98.7 | 49% | 0.49 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176.7 | 47.8 | 0 | 0 | 0 | 0 | 114.1 | S1297 C1301 I1302 V1303 | S1297-S1299 PolarHBondContact O-N 2.83Å; S1299-C1301 VanDerWaalsContact C-N 3.26Å; S1299-C1301 PolarHBondContact O-N 2.65Å; S1299-I1302 PolarHBondContact O-N 3.38Å; S1299-V1303 WeakPolarHBondContact O-CG2 3.46Å; S1299-V1303 PolarHBondContact O-N 3.41Å |
| 1300 | Y | 55.8 | Low | 51.9 | Low | 135 Ų | 135 | 95.8 Ų | 95.8 | 53% | 0.529 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68 | -28.4 | -179.4 | -61.8 | -76.5 | 0 | 0 | 0 | 112.4 | S1297 F1304 | S1297-Y1300 PolarHBondContact O-N 3.32Å; S1297-Y1300 VanDerWaalsContact O-N 3.17Å; S1297-Y1300 WeakPolarHBondContact OG-CD2 3.27Å; Y1300-F1304 WeakPolarHBondContact O-CB 3.4Å; Y1300-F1304 PolarHBondContact O-N 3.4Å |
| 1301 | C | 55.1 | Low | 52.7 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.2 | -39.7 | 174.4 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | Q1298 S1299 W1305 | Q1298-C1301 PolarHBondContact O-N 3Å; S1299-C1301 VanDerWaalsContact C-N 3.26Å; S1299-C1301 PolarHBondContact O-N 2.65Å; C1301-W1305 WeakPolarHBondContact O-CB 3.42Å; C1301-W1305 PolarHBondContact O-N 2.89Å |
| 1302 | I | 58.6 | Low | 53.9 | Low | 91 Ų | 91 | 92 Ų | 92 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -47.6 | 175.6 | -64 | 165.6 | 0 | 0 | 0 | 110.5 | Q1298 S1299 F1304 W1305 N1306 | Q1298-I1302 HydrophobicContact CG-CD1 4.43Å; Q1298-I1302 PolarHBondContact O-N 3.13Å; S1299-I1302 PolarHBondContact O-N 3.38Å; I1302-F1304 VanDerWaalsContact C-N 3.33Å; I1302-F1304 PolarHBondContact O-N 3.38Å; I1302-W1305 PolarHBondContact O-N 3.45Å; I1302-N1306 WeakPolarHBondContact O-CB 3.15Å; I1302-N1306 VanDerWaalsContact O-CG 3.24Å; I1302-N1306 PolarHBondContact O-N 2.74Å; I1302-N1306 PolarHBondContact O-OD1 3.27Å |
| 1303 | V | 58.2 | Low | 54.8 | Low | 79 Ų | 79 | 85.8 Ų | 85.8 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 176.7 | 174 | 0 | 0 | 0 | 0 | 111.3 | S1299 N1306 I1307 | S1299-V1303 WeakPolarHBondContact O-CG2 3.46Å; S1299-V1303 PolarHBondContact O-N 3.41Å; V1303-N1306 PolarHBondContact O-N 3.1Å; V1303-I1307 HydrophobicContact CG1-CD1 3.88Å; V1303-I1307 WeakPolarHBondContact O-CD1 3.45Å; V1303-I1307 VanDerWaalsContact O-CG1 3.29Å; V1303-I1307 WeakPolarHBondContact O-CG1 3.28Å; V1303-I1307 PolarHBondContact O-N 3.13Å; V1303-I1307 VanDerWaalsContact O-N 3.09Å |
| 1304 | F | 59.2 | Low | 55.9 | Low | 125 Ų | 125 | 86.4 Ų | 86.4 | 55% | 0.548 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 175.6 | -175 | -104.5 | 0 | 0 | 0 | 112.1 | Y1300 I1302 I1307 V1308 | Y1300-F1304 WeakPolarHBondContact O-CB 3.4Å; Y1300-F1304 PolarHBondContact O-N 3.4Å; I1302-F1304 VanDerWaalsContact C-N 3.33Å; I1302-F1304 PolarHBondContact O-N 3.38Å; F1304-I1307 PolarHBondContact O-N 3.37Å; F1304-V1308 HydrophobicContact CD1-CG2 4.19Å; F1304-V1308 HydrophobicContact CD2-CG2 4.31Å; F1304-V1308 HydrophobicContact CE1-CG2 3.87Å; F1304-V1308 HydrophobicContact CE2-CG2 3.99Å; F1304-V1308 HydrophobicContact CG-CG2 4.41Å; F1304-V1308 HydrophobicContact CZ-CG2 3.77Å; F1304-V1308 VanDerWaalsContact O-CB 3.32Å; F1304-V1308 WeakPolarHBondContact O-CB 3.43Å; F1304-V1308 VanDerWaalsContact O-CG2 3.23Å; F1304-V1308 WeakPolarHBondContact O-CG2 3.43Å; F1304-V1308 PolarHBondContact O-N 3.39Å |
| 1305 | W | 61.9 | Low | 56.8 | Low | 67 Ų | 67 | 85.8 Ų | 85.8 | 25% | 0.254 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 175.9 | -79.3 | 125.4 | 0 | 0 | 0 | 113.3 | H1283 C1301 I1302 I1307 V1308 T1309 | H1283-W1305 HydrophobicContact CB-CH2 3.64Å; H1283-W1305 HydrophobicContact CB-CZ2 4.37Å; H1283-W1305 HydrophobicContact CB-CZ3 4.13Å; H1283-W1305 AromaticContact CD2-CE2 3.91Å; H1283-W1305 AromaticContact CD2-CH2 3.46Å; H1283-W1305 VanDerWaalsContact CD2-CH2 3.46Å; H1283-W1305 WeakPolarHBondContact CD2-CH2 3.32Å; H1283-W1305 AromaticContact CD2-CZ2 3.45Å; H1283-W1305 VanDerWaalsContact CD2-CZ2 3.45Å; H1283-W1305 WeakPolarHBondContact CD2-CZ2 3.17Å; H1283-W1305 AromaticContact CD2-CZ3 3.89Å; H1283-W1305 AromaticContact CG-CH2 3.88Å; C1301-W1305 WeakPolarHBondContact O-CB 3.42Å; C1301-W1305 PolarHBondContact O-N 2.89Å; I1302-W1305 PolarHBondContact O-N 3.45Å; W1305-I1307 VanDerWaalsContact C-N 3.26Å; W1305-I1307 PolarHBondContact O-N 3.14Å; W1305-V1308 HydrophobicContact CE3-CB 4.17Å; W1305-V1308 HydrophobicContact CE3-CG1 3.94Å; W1305-V1308 HydrophobicContact CZ3-CB 4.4Å; W1305-V1308 HydrophobicContact CZ3-CG1 3.7Å; W1305-V1308 PolarHBondContact O-N 2.8Å; W1305-T1309 VanDerWaalsContact O-CB 3.32Å; W1305-T1309 WeakPolarHBondContact O-CB 3.48Å; W1305-T1309 VanDerWaalsContact O-CG2 3.26Å; W1305-T1309 WeakPolarHBondContact O-CG2 3.3Å; W1305-T1309 PolarHBondContact O-N 2.97Å; W1305-T1309 PolarHBondContact O-OG1 3.16Å |
| 1306 | N | 58.7 | Low | 58 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.1 | -28.7 | 178.1 | -67 | 7.8 | 0 | 0 | 0 | 112.3 | I1302 V1303 T1309 Q1311 F1312 | I1302-N1306 WeakPolarHBondContact O-CB 3.15Å; I1302-N1306 VanDerWaalsContact O-CG 3.24Å; I1302-N1306 PolarHBondContact O-N 2.74Å; I1302-N1306 PolarHBondContact O-OD1 3.27Å; V1303-N1306 PolarHBondContact O-N 3.1Å; N1306-T1309 PolarHBondContact O-OG1 2.93Å; N1306-Q1311 PolarHBondContact O-N 3.44Å; N1306-F1312 PolarHBondContact O-N 3.33Å |
| 1307 | I | 61.6 | Low | 59.3 | Low | 70 Ų | 70 | 78.5 Ų | 78.5 | 36% | 0.359 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -75.2 | -45 | 170.4 | -67.2 | 166.9 | 0 | 0 | 0 | 110.9 | F1196 V1303 F1304 W1305 G1310 | F1196-I1307 HydrophobicContact CE1-CG2 3.88Å; F1196-I1307 HydrophobicContact CZ-CG2 4.21Å; V1303-I1307 HydrophobicContact CG1-CD1 3.88Å; V1303-I1307 WeakPolarHBondContact O-CD1 3.45Å; V1303-I1307 VanDerWaalsContact O-CG1 3.29Å; V1303-I1307 WeakPolarHBondContact O-CG1 3.28Å; V1303-I1307 PolarHBondContact O-N 3.13Å; V1303-I1307 VanDerWaalsContact O-N 3.09Å; F1304-I1307 PolarHBondContact O-N 3.37Å; W1305-I1307 VanDerWaalsContact C-N 3.26Å; W1305-I1307 PolarHBondContact O-N 3.14Å; I1307-G1310 PolarHBondContact O-N 2.9Å |
| 1308 | V | 59.4 | Low | 59.9 | Low | 27 Ų | 27 | 79.1 Ų | 79.1 | 16% | 0.164 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -76 | -24.1 | -175.8 | 168.6 | 0 | 0 | 0 | 0 | 113.9 | S1279 F1304 W1305 | S1279-V1308 WeakPolarHBondContact OG-CG1 3.26Å; S1279-V1308 PolarHBondContact OG-O 3.47Å; F1304-V1308 HydrophobicContact CD1-CG2 4.19Å; F1304-V1308 HydrophobicContact CD2-CG2 4.31Å; F1304-V1308 HydrophobicContact CE1-CG2 3.87Å; F1304-V1308 HydrophobicContact CE2-CG2 3.99Å; F1304-V1308 HydrophobicContact CG-CG2 4.41Å; F1304-V1308 HydrophobicContact CZ-CG2 3.77Å; F1304-V1308 VanDerWaalsContact O-CB 3.32Å; F1304-V1308 WeakPolarHBondContact O-CB 3.43Å; F1304-V1308 VanDerWaalsContact O-CG2 3.23Å; F1304-V1308 WeakPolarHBondContact O-CG2 3.43Å; F1304-V1308 PolarHBondContact O-N 3.39Å; W1305-V1308 HydrophobicContact CE3-CB 4.17Å; W1305-V1308 HydrophobicContact CE3-CG1 3.94Å; W1305-V1308 HydrophobicContact CZ3-CB 4.4Å; W1305-V1308 HydrophobicContact CZ3-CG1 3.7Å; W1305-V1308 PolarHBondContact O-N 2.8Å |
| 1309 | T | 59.9 | Low | 60.4 | Low | 71 Ų | 71 | 75.6 Ų | 75.6 | 44% | 0.436 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -10.9 | 172.7 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | W1305 N1306 Q1311 | W1305-T1309 VanDerWaalsContact O-CB 3.32Å; W1305-T1309 WeakPolarHBondContact O-CB 3.48Å; W1305-T1309 VanDerWaalsContact O-CG2 3.26Å; W1305-T1309 WeakPolarHBondContact O-CG2 3.3Å; W1305-T1309 PolarHBondContact O-N 2.97Å; W1305-T1309 PolarHBondContact O-OG1 3.16Å; N1306-T1309 PolarHBondContact O-OG1 2.93Å; T1309-Q1311 PolarHBondContact O-N 3.44Å |
| 1310 | G | 60.6 | Low | 60.7 | Low | 17 Ų | 17 | 77.9 Ų | 77.9 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 74.3 | 2.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | I1307 F1312 L1313 M1314 | I1307-G1310 PolarHBondContact O-N 2.9Å; G1310-F1312 PolarHBondContact O-N 3.01Å; G1310-L1313 WeakPolarHBondContact O-CB 3.4Å; G1310-L1313 PolarHBondContact O-N 2.9Å; G1310-M1314 PolarHBondContact O-N 3.07Å |
| 1311 | Q | 62.2 | Low | 61.5 | Low | 126 Ų | 126 | 73.8 Ų | 73.8 | 59% | 0.589 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.4 | -36.6 | 176.7 | -73 | -174.8 | -26.3 | 0 | 0 | 112.1 | N1306 T1309 L1313 M1314 D1315 | N1306-Q1311 PolarHBondContact O-N 3.44Å; T1309-Q1311 PolarHBondContact O-N 3.44Å; Q1311-L1313 VanDerWaalsContact C-N 3.31Å; Q1311-L1313 PolarHBondContact O-N 3.04Å; Q1311-M1314 PolarHBondContact O-N 3.33Å; Q1311-D1315 PolarHBondContact O-N 3.18Å; Q1311-D1315 VanDerWaalsContact O-N 3.11Å |
| 1312 | F | 64.6 | Low | 62.2 | Low | 61 Ų | 61 | 74.1 Ų | 74.1 | 27% | 0.268 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 171.7 | 176 | -94.3 | 0 | 0 | 0 | 112.9 | I1199 N1306 G1310 W1316 | I1199-F1312 HydrophobicContact CG2-CE1 3.65Å; I1199-F1312 HydrophobicContact CG2-CZ 4.08Å; N1306-F1312 PolarHBondContact O-N 3.33Å; G1310-F1312 PolarHBondContact O-N 3.01Å; F1312-W1316 HydrophobicContact CE1-CB 4.47Å; F1312-W1316 HydrophobicContact CE1-CG 4.49Å; F1312-W1316 WeakPolarHBondContact O-CB 3.31Å; F1312-W1316 PolarHBondContact O-N 3.45Å |
| 1313 | L | 63.8 | Low | 62.8 | Low | 66 Ų | 66 | 73.2 Ų | 73.2 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 177.9 | -82 | 166.6 | 0 | 0 | 0 | 111.7 | G1310 Q1311 W1316 F1317 L1329 | G1310-L1313 WeakPolarHBondContact O-CB 3.4Å; G1310-L1313 PolarHBondContact O-N 2.9Å; Q1311-L1313 VanDerWaalsContact C-N 3.31Å; Q1311-L1313 PolarHBondContact O-N 3.04Å; L1313-W1316 HydrophobicContact CD2-CE3 4.32Å; L1313-W1316 PolarHBondContact O-N 3Å; L1313-F1317 WeakPolarHBondContact O-CB 3.29Å; L1313-F1317 WeakPolarHBondContact O-CD2 3.29Å; L1313-F1317 PolarHBondContact O-N 3.26Å; L1313-L1329 HydrophobicContact CD2-CD1 4.06Å |
| 1314 | M | 63.8 | Low | 63.5 | Low | 120 Ų | 120 | 69.7 Ų | 69.7 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -69 | -42 | -179.8 | -58.6 | -57.3 | -69.4 | 0 | 0 | 112.2 | G1310 Q1311 F1317 S1318 | G1310-M1314 PolarHBondContact O-N 3.07Å; Q1311-M1314 PolarHBondContact O-N 3.33Å; M1314-F1317 PolarHBondContact O-N 3.07Å; M1314-S1318 PolarHBondContact O-N 3.01Å; M1314-S1318 VanDerWaalsContact O-N 3.12Å; M1314-S1318 PolarHBondContact O-OG 3.25Å |
| 1315 | D | 64.4 | Low | 64.2 | Low | 87 Ų | 87 | 64.4 Ų | 64.4 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 170.6 | 175.7 | 76.7 | 0 | 0 | 0 | 111.6 | Q1311 F1317 S1318 K1319 | Q1311-D1315 PolarHBondContact O-N 3.18Å; Q1311-D1315 VanDerWaalsContact O-N 3.11Å; D1315-F1317 VanDerWaalsContact C-N 3.28Å; D1315-F1317 PolarHBondContact O-N 3.49Å; D1315-S1318 PolarHBondContact O-N 2.83Å; D1315-K1319 IonicContact OD1-NZ 3.17Å; D1315-K1319 IonicContact OD2-NZ 2.8Å; D1315-K1319 PolarHBondContact OD2-NZ 3.45Å |
| 1316 | W | 63 | Low | 64.9 | Low | 27 Ų | 27 | 62.8 Ų | 62.8 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -30.6 | 179.9 | -173.1 | 84.7 | 0 | 0 | 0 | 112.9 | F1312 L1313 R1325 I1328 L1329 | F1312-W1316 HydrophobicContact CE1-CB 4.47Å; F1312-W1316 HydrophobicContact CE1-CG 4.49Å; F1312-W1316 WeakPolarHBondContact O-CB 3.31Å; F1312-W1316 PolarHBondContact O-N 3.45Å; L1313-W1316 HydrophobicContact CD2-CE3 4.32Å; L1313-W1316 PolarHBondContact O-N 3Å; W1316-R1325 VanDerWaalsContact CD1-NH1 3.33Å; W1316-R1325 HydrophobicContact CD2-CG 4.45Å; W1316-R1325 HydrophobicContact CE3-CB 4.27Å; W1316-R1325 HydrophobicContact CH2-CB 3.83Å; W1316-R1325 HydrophobicContact CH2-CG 4.33Å; W1316-R1325 WeakPolarHBondContact CH2-O 3.25Å; W1316-R1325 HydrophobicContact CZ2-CB 4.11Å; W1316-R1325 HydrophobicContact CZ2-CG 4.09Å; W1316-R1325 HydrophobicContact CZ3-CB 3.88Å; W1316-R1325 WeakPolarHBondContact O-CD 3.27Å; W1316-R1325 PolarHBondContact O-NH1 3.31Å; W1316-I1328 HydrophobicContact CH2-CB 3.92Å; W1316-I1328 HydrophobicContact CH2-CG2 3.89Å; W1316-I1328 HydrophobicContact CZ2-CB 4.03Å; W1316-I1328 HydrophobicContact CZ2-CD1 4.38Å; W1316-I1328 HydrophobicContact CZ2-CG2 3.78Å; W1316-L1329 HydrophobicContact CH2-CB 4.44Å; W1316-L1329 HydrophobicContact CZ3-CB 4.29Å |
| 1317 | F | 62.2 | Low | 66 | Low | 51 Ų | 51 | 59.6 Ų | 59.6 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -77.5 | -21.5 | 170.8 | -95.3 | -68.5 | 0 | 0 | 0 | 114.2 | L1268 L1313 M1314 D1315 K1319 L1329 | L1268-F1317 HydrophobicContact CD2-CD2 4.05Å; L1268-F1317 HydrophobicContact CD2-CE1 4.36Å; L1268-F1317 HydrophobicContact CD2-CE2 3.7Å; L1268-F1317 HydrophobicContact CD2-CZ 3.86Å; L1313-F1317 WeakPolarHBondContact O-CB 3.29Å; L1313-F1317 WeakPolarHBondContact O-CD2 3.29Å; L1313-F1317 PolarHBondContact O-N 3.26Å; M1314-F1317 PolarHBondContact O-N 3.07Å; D1315-F1317 VanDerWaalsContact C-N 3.28Å; D1315-F1317 PolarHBondContact O-N 3.49Å; F1317-K1319 PolarHBondContact O-N 3.05Å; F1317-K1319 VanDerWaalsContact O-N 3.17Å; F1317-L1329 HydrophobicContact CE2-CD2 3.96Å; F1317-L1329 HydrophobicContact CZ-CD2 3.73Å |
| 1318 | S | 60.6 | Low | 66.9 | Low | 76 Ų | 76 | 56.7 Ų | 56.7 | 53% | 0.531 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 12 | -177 | -60 | 0 | 0 | 0 | 0 | 113.8 | M1314 D1315 | M1314-S1318 PolarHBondContact O-N 3.01Å; M1314-S1318 VanDerWaalsContact O-N 3.12Å; M1314-S1318 PolarHBondContact O-OG 3.25Å; D1315-S1318 PolarHBondContact O-N 2.83Å |
| 1319 | K | 62.7 | Low | 67.8 | Low | 81 Ų | 81 | 57.4 Ų | 57.4 | 35% | 0.352 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -109.8 | 146.6 | -177.5 | -73.3 | 166.1 | 179 | 157.5 | 0 | 109.8 | D1315 F1317 D1321 | D1315-K1319 IonicContact OD1-NZ 3.17Å; D1315-K1319 IonicContact OD2-NZ 2.8Å; D1315-K1319 PolarHBondContact OD2-NZ 3.45Å; F1317-K1319 PolarHBondContact O-N 3.05Å; F1317-K1319 VanDerWaalsContact O-N 3.17Å; K1319-D1321 VanDerWaalsContact C-N 3.27Å; K1319-D1321 PolarHBondContact O-N 2.93Å; K1319-D1321 VanDerWaalsContact O-N 3.08Å |
| 1320 | P | 59.3 | Low | 69 | Low | 118 Ų | 118 | 54.9 Ų | 54.9 | 77% | 0.766 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -61.4 | -25.3 | -162.3 | 20.7 | -32.9 | 0 | 0 | 0 | 115.7 | V1322 | P1320-V1322 PolarHBondContact O-N 3.45Š|
| 1321 | D | 70.7 | Confident | 70.1 | Confident | 50 Ų | 50 | 54.1 Ų | 54.1 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | trans | -78.1 | 47.9 | -174 | -5.4 | -67.1 | 0 | 0 | 0 | 113.7 | K1319 Q1323 G1324 R1325 | K1319-D1321 VanDerWaalsContact C-N 3.27Å; K1319-D1321 PolarHBondContact O-N 2.93Å; K1319-D1321 VanDerWaalsContact O-N 3.08Å; D1321-Q1323 PolarHBondContact O-N 2.85Å; D1321-Q1323 VanDerWaalsContact O-N 3.12Å; D1321-G1324 PolarHBondContact O-N 3.39Å; D1321-R1325 WeakPolarHBondContact O-CB 3.39Å; D1321-R1325 VanDerWaalsContact O-CD 3.32Å; D1321-R1325 WeakPolarHBondContact O-CD 3.34Å; D1321-R1325 VanDerWaalsContact O-CG 3.27Å; D1321-R1325 WeakPolarHBondContact O-CG 3.39Å; D1321-R1325 PolarHBondContact O-N 3.48Å; D1321-R1325 VanDerWaalsContact O-N 3.1Å; D1321-R1325 IonicContact OD2-CZ 2.74Å; D1321-R1325 IonicContact OD2-NE 3.2Å; D1321-R1325 PolarHBondContact OD2-NE 3.41Å; D1321-R1325 IonicContact OD2-NH2 3.9Å; D1321-R1325 PolarHBondContact OD2-NH2 3.28Å | ||
| 1322 | V | 70.3 | Confident | 71.2 | Confident | 79 Ų | 79 | 50 Ų | 50 | 48% | 0.479 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54 | -34.6 | -173.5 | -69.6 | 0 | 0 | 0 | 0 | 114.1 | P1320 L1326 | P1320-V1322 PolarHBondContact O-N 3.45Å; V1322-L1326 WeakPolarHBondContact O-CB 3.35Å; V1322-L1326 PolarHBondContact O-N 2.89Å |
| 1323 | Q | 71 | Confident | 72.3 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.9 | -55.1 | 179.2 | -69.9 | -179.9 | -29.2 | 0 | 0 | 112.5 | T119 D1321 R1325 L1326 V1327 | T119-Q1323 HydrophobicContact CG2-CB 4.1Å; D1321-Q1323 PolarHBondContact O-N 2.85Å; D1321-Q1323 VanDerWaalsContact O-N 3.12Å; Q1323-R1325 PolarHBondContact O-N 3.41Å; Q1323-L1326 WeakPolarHBondContact O-CB 3.33Å; Q1323-L1326 PolarHBondContact O-N 3.16Å; Q1323-V1327 PolarHBondContact O-N 2.92Å |
| 1324 | G | 73.9 | Confident | 73.5 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -34 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1321 V1327 I1328 | D1321-G1324 PolarHBondContact O-N 3.39Å; G1324-V1327 PolarHBondContact O-N 3.38Å; G1324-I1328 WeakPolarHBondContact O-CG1 3.46Å; G1324-I1328 PolarHBondContact O-N 3.28Å; G1324-I1328 VanDerWaalsContact O-N 3.09Å |
| 1325 | R | 73.8 | Confident | 74.6 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 173.7 | -67.8 | 162.2 | -173.5 | -79.9 | -13.7 | 111.6 | W1316 D1321 Q1323 V1327 I1328 L1329 | W1316-R1325 VanDerWaalsContact CD1-NH1 3.33Å; W1316-R1325 HydrophobicContact CD2-CG 4.45Å; W1316-R1325 HydrophobicContact CE3-CB 4.27Å; W1316-R1325 HydrophobicContact CH2-CB 3.83Å; W1316-R1325 HydrophobicContact CH2-CG 4.33Å; W1316-R1325 WeakPolarHBondContact CH2-O 3.25Å; W1316-R1325 HydrophobicContact CZ2-CB 4.11Å; W1316-R1325 HydrophobicContact CZ2-CG 4.09Å; W1316-R1325 HydrophobicContact CZ3-CB 3.88Å; W1316-R1325 WeakPolarHBondContact O-CD 3.27Å; W1316-R1325 PolarHBondContact O-NH1 3.31Å; D1321-R1325 WeakPolarHBondContact O-CB 3.39Å; D1321-R1325 VanDerWaalsContact O-CD 3.32Å; D1321-R1325 WeakPolarHBondContact O-CD 3.34Å; D1321-R1325 VanDerWaalsContact O-CG 3.27Å; D1321-R1325 WeakPolarHBondContact O-CG 3.39Å; D1321-R1325 PolarHBondContact O-N 3.48Å; D1321-R1325 VanDerWaalsContact O-N 3.1Å; D1321-R1325 IonicContact OD2-CZ 2.74Å; D1321-R1325 IonicContact OD2-NE 3.2Å; D1321-R1325 PolarHBondContact OD2-NE 3.41Å; D1321-R1325 IonicContact OD2-NH2 3.9Å; D1321-R1325 PolarHBondContact OD2-NH2 3.28Å; Q1323-R1325 PolarHBondContact O-N 3.41Å; R1325-V1327 PolarHBondContact O-N 2.92Å; R1325-I1328 PolarHBondContact O-N 2.79Å; R1325-L1329 PolarHBondContact O-N 3.08Å |
| 1326 | L | 77.2 | Confident | 75.8 | Confident | 34 Ų | 34 | 39.9 Ų | 39.9 | 18% | 0.178 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -40 | 173.4 | -175.2 | 59.7 | 0 | 0 | 0 | 112.2 | F115 V1322 Q1323 L1329 I1330 | F115-L1326 HydrophobicContact CD1-CD2 4.37Å; F115-L1326 HydrophobicContact CD2-CD2 4.03Å; F115-L1326 HydrophobicContact CD2-CG 4.24Å; F115-L1326 HydrophobicContact CE1-CD2 4.01Å; F115-L1326 HydrophobicContact CE2-CD2 3.61Å; F115-L1326 HydrophobicContact CE2-CG 4.14Å; F115-L1326 HydrophobicContact CG-CD2 4.39Å; F115-L1326 HydrophobicContact CZ-CD2 3.62Å; V1322-L1326 WeakPolarHBondContact O-CB 3.35Å; V1322-L1326 PolarHBondContact O-N 2.89Å; Q1323-L1326 WeakPolarHBondContact O-CB 3.33Å; Q1323-L1326 PolarHBondContact O-N 3.16Å; L1326-L1329 PolarHBondContact O-N 3.39Å; L1326-I1330 HydrophobicContact CD1-CD1 4.04Å; L1326-I1330 HydrophobicContact CD1-CG1 4.34Å; L1326-I1330 HydrophobicContact CG-CD1 3.95Å; L1326-I1330 VanDerWaalsContact O-CG1 3.32Å; L1326-I1330 WeakPolarHBondContact O-CG1 3.1Å; L1326-I1330 PolarHBondContact O-N 2.88Å |
| 1327 | V | 81.5 | Confident | 77 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | Q112 F115 F116 Q1323 G1324 R1325 I1330 G1331 | Q112-V1327 HydrophobicContact CG-CG1 4.15Å; F115-V1327 HydrophobicContact CB-CG2 3.61Å; F116-V1327 HydrophobicContact CB-CG1 4.38Å; Q1323-V1327 PolarHBondContact O-N 2.92Å; G1324-V1327 PolarHBondContact O-N 3.38Å; R1325-V1327 PolarHBondContact O-N 2.92Å; V1327-I1330 PolarHBondContact O-N 2.96Å; V1327-G1331 PolarHBondContact O-N 3.03Å |
| 1328 | I | 79.4 | Confident | 78.3 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.8 | -66.5 | 162.6 | 0 | 0 | 0 | 111.3 | W1316 G1324 R1325 G1331 F1332 | W1316-I1328 HydrophobicContact CH2-CB 3.92Å; W1316-I1328 HydrophobicContact CH2-CG2 3.89Å; W1316-I1328 HydrophobicContact CZ2-CB 4.03Å; W1316-I1328 HydrophobicContact CZ2-CD1 4.38Å; W1316-I1328 HydrophobicContact CZ2-CG2 3.78Å; G1324-I1328 WeakPolarHBondContact O-CG1 3.46Å; G1324-I1328 PolarHBondContact O-N 3.28Å; G1324-I1328 VanDerWaalsContact O-N 3.09Å; R1325-I1328 PolarHBondContact O-N 2.79Å; I1328-G1331 CarbonylContact O-C 3.59Å; I1328-G1331 PolarHBondContact O-N 3.03Å; I1328-F1332 PolarHBondContact O-N 2.86Å |
| 1329 | L | 79.5 | Confident | 79.8 | Confident | 42 Ų | 42 | 33.9 Ų | 33.9 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -45.5 | 177.3 | -174.3 | 71 | 0 | 0 | 0 | 112.1 | L1313 W1316 F1317 R1325 L1326 G1331 F1332 V1333 | L1313-L1329 HydrophobicContact CD2-CD1 4.06Å; W1316-L1329 HydrophobicContact CH2-CB 4.44Å; W1316-L1329 HydrophobicContact CZ3-CB 4.29Å; F1317-L1329 HydrophobicContact CE2-CD2 3.96Å; F1317-L1329 HydrophobicContact CZ-CD2 3.73Å; R1325-L1329 PolarHBondContact O-N 3.08Å; L1326-L1329 PolarHBondContact O-N 3.39Å; L1329-G1331 VanDerWaalsContact C-N 3.29Å; L1329-G1331 PolarHBondContact O-N 3.33Å; L1329-F1332 WeakPolarHBondContact O-CB 3.48Å; L1329-F1332 PolarHBondContact O-N 3.47Å; L1329-V1333 PolarHBondContact O-N 3.4Å; L1329-V1333 VanDerWaalsContact O-N 3.11Å |
| 1330 | I | 83.9 | Confident | 81.1 | Confident | 18 Ų | 18 | 31 Ų | 31 | 9% | 0.092 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.6 | -66 | 166.9 | 0 | 0 | 0 | 109.5 | L111 Q112 F115 L1326 V1327 F1332 V1333 L1334 | L111-I1330 HydrophobicContact CD2-CD1 4.29Å; L111-I1330 HydrophobicContact CG-CD1 4.33Å; Q112-I1330 HydrophobicContact CB-CG2 3.84Å; Q112-I1330 HydrophobicContact CG-CG2 4.16Å; F115-I1330 HydrophobicContact CD2-CD1 3.57Å; F115-I1330 HydrophobicContact CE2-CD1 3.76Å; L1326-I1330 HydrophobicContact CD1-CD1 4.04Å; L1326-I1330 HydrophobicContact CD1-CG1 4.34Å; L1326-I1330 HydrophobicContact CG-CD1 3.95Å; L1326-I1330 VanDerWaalsContact O-CG1 3.32Å; L1326-I1330 WeakPolarHBondContact O-CG1 3.1Å; L1326-I1330 PolarHBondContact O-N 2.88Å; V1327-I1330 PolarHBondContact O-N 2.96Å; I1330-F1332 PolarHBondContact O-N 3.16Å; I1330-V1333 PolarHBondContact O-N 2.79Å; I1330-L1334 HydrophobicContact CG2-CD1 3.74Å; I1330-L1334 HydrophobicContact CG2-CG 4.39Å; I1330-L1334 WeakPolarHBondContact O-CB 3.32Å; I1330-L1334 VanDerWaalsContact O-CG 3.31Å; I1330-L1334 WeakPolarHBondContact O-CG 3.36Å; I1330-L1334 PolarHBondContact O-N 2.78Å |
| 1331 | G | 84.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -38.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1327 I1328 L1329 L1334 R1335 | V1327-G1331 PolarHBondContact O-N 3.03Å; I1328-G1331 CarbonylContact O-C 3.59Å; I1328-G1331 PolarHBondContact O-N 3.03Å; L1329-G1331 VanDerWaalsContact C-N 3.29Å; L1329-G1331 PolarHBondContact O-N 3.33Å; G1331-L1334 PolarHBondContact O-N 3.28Å; G1331-R1335 WeakPolarHBondContact O-CB 3.42Å; G1331-R1335 VanDerWaalsContact O-CG 3.32Å; G1331-R1335 WeakPolarHBondContact O-CG 3.18Å; G1331-R1335 PolarHBondContact O-N 3.2Å |
| 1332 | F | 85.5 | Confident | 83.5 | Confident | 41 Ų | 41 | 25.6 Ų | 25.6 | 18% | 0.18 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -46.6 | 173.5 | 172 | -92.7 | 0 | 0 | 0 | 111.9 | P1195 F1196 I1199 I1328 L1329 I1330 L1334 R1335 F1336 | P1195-F1332 HydrophobicContact CB-CD2 3.51Å; P1195-F1332 HydrophobicContact CB-CE2 3.39Å; P1195-F1332 HydrophobicContact CB-CG 4.39Å; P1195-F1332 HydrophobicContact CB-CZ 4.18Å; P1195-F1332 WeakPolarHBondContact O-CD2 3.49Å; F1196-F1332 HydrophobicContact CD1-CE2 4.19Å; F1196-F1332 HydrophobicContact CE1-CE2 4.31Å; F1196-F1332 HydrophobicContact CE1-CZ 4.29Å; F1196-F1332 HydrophobicContact CZ-CZ 4.49Å; I1199-F1332 HydrophobicContact CD1-CD2 3.39Å; I1199-F1332 HydrophobicContact CD1-CE2 3.45Å; I1199-F1332 VanDerWaalsContact CD1-CE2 3.45Å; I1199-F1332 HydrophobicContact CD1-CG 4.02Å; I1199-F1332 HydrophobicContact CD1-CZ 4.14Å; I1199-F1332 HydrophobicContact CG1-CD2 3.77Å; I1199-F1332 HydrophobicContact CG1-CE2 4.18Å; I1199-F1332 HydrophobicContact CG1-CG 4.49Å; I1328-F1332 PolarHBondContact O-N 2.86Å; L1329-F1332 WeakPolarHBondContact O-CB 3.48Å; L1329-F1332 PolarHBondContact O-N 3.47Å; I1330-F1332 PolarHBondContact O-N 3.16Å; F1332-L1334 VanDerWaalsContact C-N 3.34Å; F1332-L1334 PolarHBondContact O-N 3.1Å; F1332-R1335 PolarHBondContact O-N 2.75Å; F1332-F1336 WeakPolarHBondContact O-CB 3.37Å; F1332-F1336 PolarHBondContact O-N 2.97Å |
| 1333 | V | 86.8 | Confident | 84.5 | Confident | 57 Ų | 57 | 21.9 Ų | 21.9 | 35% | 0.345 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | L108 L1329 I1330 F1336 N1337 | L108-V1333 HydrophobicContact CD1-CG1 4.45Å; L1329-V1333 PolarHBondContact O-N 3.4Å; L1329-V1333 VanDerWaalsContact O-N 3.11Å; I1330-V1333 PolarHBondContact O-N 2.79Å; V1333-F1336 PolarHBondContact O-N 3.28Å; V1333-N1337 WeakPolarHBondContact O-CB 3.25Å; V1333-N1337 PolarHBondContact O-N 3.19Å; V1333-N1337 PolarHBondContact O-ND2 3.24Å; V1333-N1337 VanDerWaalsContact O-ND2 3.13Å |
| 1334 | L | 89.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -48.3 | 175.5 | -71.5 | 164.9 | 0 | 0 | 0 | 111.8 | H105 L108 Q109 Q112 P134 I1330 G1331 F1332 F1336 N1337 V1338 | H105-L1334 VanDerWaalsContact CE1-CD2 3.42Å; H105-L1334 WeakPolarHBondContact CE1-CD2 3.46Å; H105-L1334 WeakPolarHBondContact ND1-CD2 3.4Å; L108-L1334 HydrophobicContact CB-CD2 3.8Å; L108-L1334 HydrophobicContact CB-CG 4.35Å; Q109-L1334 HydrophobicContact CB-CD2 4.31Å; Q112-L1334 HydrophobicContact CB-CD1 3.9Å; Q112-L1334 HydrophobicContact CG-CD1 4.28Å; P134-L1334 HydrophobicContact CB-CB 4.32Å; I1330-L1334 HydrophobicContact CG2-CD1 3.74Å; I1330-L1334 HydrophobicContact CG2-CG 4.39Å; I1330-L1334 WeakPolarHBondContact O-CB 3.32Å; I1330-L1334 VanDerWaalsContact O-CG 3.31Å; I1330-L1334 WeakPolarHBondContact O-CG 3.36Å; I1330-L1334 PolarHBondContact O-N 2.78Å; G1331-L1334 PolarHBondContact O-N 3.28Å; F1332-L1334 VanDerWaalsContact C-N 3.34Å; F1332-L1334 PolarHBondContact O-N 3.1Å; L1334-F1336 VanDerWaalsContact C-N 3.33Å; L1334-F1336 PolarHBondContact O-N 2.85Å; L1334-N1337 PolarHBondContact O-N 3.24Å; L1334-V1338 WeakPolarHBondContact O-CB 3.43Å; L1334-V1338 VanDerWaalsContact O-CG2 3.28Å; L1334-V1338 WeakPolarHBondContact O-CG2 3.3Å; L1334-V1338 PolarHBondContact O-N 2.9Å |
| 1335 | R | 88.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.3 | -47.4 | 173.5 | -80.8 | -178.8 | 175 | 107.7 | -15.4 | 111.9 | D130 P1195 S1198 G1331 F1332 N1337 V1338 Y1339 L1441 D1445 | D130-R1335 IonicContact OD1-CZ 3.55Å; D130-R1335 IonicContact OD1-NH1 3.18Å; D130-R1335 PolarHBondContact OD1-NH1 3.4Å; D130-R1335 IonicContact OD1-NH2 3.4Å; D130-R1335 PolarHBondContact OD1-NH2 2.93Å; P1195-R1335 HydrophobicContact CB-CB 4.35Å; P1195-R1335 HydrophobicContact CG-CB 4.34Å; S1198-R1335 WeakPolarHBondContact OG-CD 3.44Å; S1198-R1335 PolarHBondContact OG-NE 3.01Å; S1198-R1335 VanDerWaalsContact OG-NE 3.11Å; G1331-R1335 WeakPolarHBondContact O-CB 3.42Å; G1331-R1335 VanDerWaalsContact O-CG 3.32Å; G1331-R1335 WeakPolarHBondContact O-CG 3.18Å; G1331-R1335 PolarHBondContact O-N 3.2Å; F1332-R1335 PolarHBondContact O-N 2.75Å; R1335-N1337 PolarHBondContact O-N 3.24Å; R1335-V1338 PolarHBondContact O-N 3.48Å; R1335-Y1339 HydrophobicContact CB-CD2 4.21Å; R1335-Y1339 HydrophobicContact CB-CE2 3.8Å; R1335-Y1339 HydrophobicContact CG-CE2 4.1Å; R1335-Y1339 WeakPolarHBondContact O-CB 3.24Å; R1335-Y1339 WeakPolarHBondContact O-CD2 3.47Å; R1335-Y1339 PolarHBondContact O-N 2.95Å; R1335-L1441 VanDerWaalsContact NH2-CD2 3.34Å; R1335-D1445 IonicContact CZ-OD2 2.75Å; R1335-D1445 IonicContact NE-OD2 2.7Å; R1335-D1445 PolarHBondContact NE-OD2 3.45Å; R1335-D1445 IonicContact NH2-OD2 2.59Å; R1335-D1445 PolarHBondContact NH2-OD2 3.24Å |
| 1336 | F | 89.2 | Confident | 87.1 | Confident | 62 Ų | 62 | 20.9 Ų | 20.9 | 27% | 0.272 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.9 | 178.1 | -97.6 | 0 | 0 | 0 | 112.2 | T1191 F1192 P1195 F1332 V1333 L1334 G1340 | T1191-F1336 HydrophobicContact CG2-CD2 3.99Å; T1191-F1336 HydrophobicContact CG2-CE2 3.71Å; T1191-F1336 HydrophobicContact CG2-CZ 4.23Å; T1191-F1336 WeakPolarHBondContact O-CD2 3.42Å; F1192-F1336 HydrophobicContact CD1-CD2 4.41Å; F1192-F1336 AromaticContact CD1-CE2 3.57Å; F1192-F1336 HydrophobicContact CD1-CE2 3.57Å; F1192-F1336 HydrophobicContact CD1-CZ 4.35Å; F1192-F1336 AromaticContact CE1-CE2 3.5Å; F1192-F1336 HydrophobicContact CE1-CE2 3.5Å; F1192-F1336 VanDerWaalsContact CE1-CE2 3.5Å; F1192-F1336 AromaticContact CE1-CZ 3.81Å; F1192-F1336 HydrophobicContact CE1-CZ 3.81Å; F1192-F1336 HydrophobicContact CG-CE2 4.25Å; F1192-F1336 HydrophobicContact CZ-CE2 4.12Å; F1192-F1336 HydrophobicContact CZ-CZ 4.15Å; P1195-F1336 HydrophobicContact CB-CB 4.45Å; P1195-F1336 HydrophobicContact CG-CB 3.9Å; P1195-F1336 HydrophobicContact CG-CD2 4.31Å; F1332-F1336 WeakPolarHBondContact O-CB 3.37Å; F1332-F1336 PolarHBondContact O-N 2.97Å; V1333-F1336 PolarHBondContact O-N 3.28Å; L1334-F1336 VanDerWaalsContact C-N 3.33Å; L1334-F1336 PolarHBondContact O-N 2.85Å; F1336-G1340 WeakPolarHBondContact O-CA 3.4Å; F1336-G1340 PolarHBondContact O-N 2.86Å |
| 1337 | N | 88.4 | Confident | 87.8 | Confident | 26 Ų | 26 | 19.5 Ų | 19.5 | 14% | 0.139 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.9 | -41.5 | 179 | -72.4 | -25.1 | 0 | 0 | 0 | 112.8 | Y101 V1333 L1334 R1335 T1341 | Y101-N1337 VanDerWaalsContact OH-CB 3.32Å; Y101-N1337 WeakPolarHBondContact OH-CB 3.35Å; Y101-N1337 VanDerWaalsContact OH-CG 3.31Å; Y101-N1337 PolarHBondContact OH-OD1 3.48Å; V1333-N1337 WeakPolarHBondContact O-CB 3.25Å; V1333-N1337 PolarHBondContact O-N 3.19Å; V1333-N1337 PolarHBondContact O-ND2 3.24Å; V1333-N1337 VanDerWaalsContact O-ND2 3.13Å; L1334-N1337 PolarHBondContact O-N 3.24Å; R1335-N1337 PolarHBondContact O-N 3.24Å; N1337-T1341 WeakPolarHBondContact O-CB 3.46Å; N1337-T1341 PolarHBondContact O-N 2.86Å; N1337-T1341 PolarHBondContact O-OG1 2.97Å |
| 1338 | V | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.2 | -55.8 | 177.6 | 169 | 0 | 0 | 0 | 0 | 110.9 | H105 P134 L137 L141 L1334 R1335 G1340 T1341 V1342 | H105-V1338 WeakPolarHBondContact NE2-CG2 3.35Å; P134-V1338 HydrophobicContact CB-CG2 4.43Å; L137-V1338 HydrophobicContact CB-CG1 3.43Å; L137-V1338 VanDerWaalsContact CB-CG1 3.43Å; L137-V1338 HydrophobicContact CD1-CG1 3.82Å; L137-V1338 HydrophobicContact CG-CG1 4.27Å; L141-V1338 HydrophobicContact CD1-CG1 4.29Å; L1334-V1338 WeakPolarHBondContact O-CB 3.43Å; L1334-V1338 VanDerWaalsContact O-CG2 3.28Å; L1334-V1338 WeakPolarHBondContact O-CG2 3.3Å; L1334-V1338 PolarHBondContact O-N 2.9Å; R1335-V1338 PolarHBondContact O-N 3.48Å; V1338-G1340 VanDerWaalsContact C-N 3.32Å; V1338-G1340 PolarHBondContact O-N 3.26Å; V1338-T1341 WeakPolarHBondContact O-CB 3.15Å; V1338-T1341 PolarHBondContact O-N 2.81Å; V1338-T1341 VanDerWaalsContact O-N 3.09Å; V1338-V1342 WeakPolarHBondContact O-CG2 3.49Å; V1338-V1342 PolarHBondContact O-N 3.49Å |
| 1339 | Y | 91 | Very high | 88.7 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 179.4 | -59.7 | -31 | 0 | 0 | 0 | 110.9 | L137 L1194 P1195 R1335 T1341 V1342 F1343 L1449 | L137-Y1339 HydrophobicContact CD1-CD1 4.26Å; L137-Y1339 HydrophobicContact CD1-CE1 3.73Å; L1194-Y1339 HydrophobicContact CB-CD2 3.66Å; L1194-Y1339 HydrophobicContact CB-CE2 3.77Å; L1194-Y1339 HydrophobicContact CD1-CD2 4.43Å; P1195-Y1339 HydrophobicContact CG-CD2 3.89Å; P1195-Y1339 HydrophobicContact CG-CE2 4.33Å; R1335-Y1339 HydrophobicContact CB-CD2 4.21Å; R1335-Y1339 HydrophobicContact CB-CE2 3.8Å; R1335-Y1339 HydrophobicContact CG-CE2 4.1Å; R1335-Y1339 WeakPolarHBondContact O-CB 3.24Å; R1335-Y1339 WeakPolarHBondContact O-CD2 3.47Å; R1335-Y1339 PolarHBondContact O-N 2.95Å; Y1339-T1341 VanDerWaalsContact C-N 3.26Å; Y1339-T1341 PolarHBondContact O-N 2.81Å; Y1339-V1342 PolarHBondContact O-N 2.86Å; Y1339-V1342 VanDerWaalsContact O-N 3.16Å; Y1339-F1343 WeakPolarHBondContact O-CD2 3.45Å; Y1339-F1343 PolarHBondContact O-N 3.09Å; Y1339-L1449 HydrophobicContact CD1-CD1 3.97Å; Y1339-L1449 HydrophobicContact CE1-CD1 4.22Å; Y1339-L1449 HydrophobicContact CE1-CD2 4.19Å |
| 1340 | G | 89.3 | Confident | 89.3 | Confident | 19 Ų | 19 | 17.2 Ų | 17.2 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.2 | -41.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1191 F1336 V1338 F1344 | T1191-G1340 VanDerWaalsContact CG2-CA 3.41Å; F1336-G1340 WeakPolarHBondContact O-CA 3.4Å; F1336-G1340 PolarHBondContact O-N 2.86Å; V1338-G1340 VanDerWaalsContact C-N 3.32Å; V1338-G1340 PolarHBondContact O-N 3.26Å; G1340-F1344 WeakPolarHBondContact O-CB 3.3Å; G1340-F1344 PolarHBondContact O-N 3.48Å |
| 1341 | T | 89 | Confident | 89.5 | Confident | 43 Ų | 43 | 17.1 Ų | 17.1 | 26% | 0.264 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -67.6 | -43.8 | 175.6 | -56.4 | 0 | 0 | 0 | 0 | 112 | L141 N1337 V1338 Y1339 F1344 L1345 | L141-T1341 HydrophobicContact CD1-CG2 3.93Å; L141-T1341 HydrophobicContact CD2-CG2 3.96Å; N1337-T1341 WeakPolarHBondContact O-CB 3.46Å; N1337-T1341 PolarHBondContact O-N 2.86Å; N1337-T1341 PolarHBondContact O-OG1 2.97Å; V1338-T1341 WeakPolarHBondContact O-CB 3.15Å; V1338-T1341 PolarHBondContact O-N 2.81Å; V1338-T1341 VanDerWaalsContact O-N 3.09Å; Y1339-T1341 VanDerWaalsContact C-N 3.26Å; Y1339-T1341 PolarHBondContact O-N 2.81Å; T1341-F1344 PolarHBondContact O-N 3.23Å; T1341-L1345 HydrophobicContact CG2-CD1 4.16Å; T1341-L1345 VanDerWaalsContact O-CG 3.31Å; T1341-L1345 WeakPolarHBondContact O-CG 3.45Å; T1341-L1345 PolarHBondContact O-N 2.91Å; T1341-L1345 VanDerWaalsContact O-N 3.08Å |
| 1342 | V | 91.6 | Very high | 89.7 | Confident | 12 Ų | 12 | 17.2 Ų | 17.2 | 7% | 0.073 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.4 | -52.6 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | L141 V1338 Y1339 F1344 L1345 L1346 I1453 | L141-V1342 HydrophobicContact CD1-CG2 4.23Å; L141-V1342 HydrophobicContact CD2-CG2 4.01Å; L141-V1342 HydrophobicContact CG-CG2 4.34Å; V1338-V1342 WeakPolarHBondContact O-CG2 3.49Å; V1338-V1342 PolarHBondContact O-N 3.49Å; Y1339-V1342 PolarHBondContact O-N 2.86Å; Y1339-V1342 VanDerWaalsContact O-N 3.16Å; V1342-F1344 PolarHBondContact O-N 2.74Å; V1342-L1345 PolarHBondContact O-N 2.79Å; V1342-L1346 HydrophobicContact CG1-CD1 4.09Å; V1342-L1346 WeakPolarHBondContact O-CG 3.18Å; V1342-L1346 PolarHBondContact O-N 2.89Å; V1342-I1453 HydrophobicContact CG1-CD1 4.18Å; V1342-I1453 HydrophobicContact CG1-CG1 4.3Å |
| 1343 | F | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 0% | 0.004 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69 | -30.7 | -178.5 | -74.8 | -71.2 | 0 | 0 | 0 | 113.1 | A1187 A1190 L1194 Y1339 L1346 C1347 L1449 F1456 | A1187-F1343 HydrophobicContact CB-CB 3.96Å; A1190-F1343 HydrophobicContact CB-CD1 4.34Å; A1190-F1343 HydrophobicContact CB-CD2 4.32Å; A1190-F1343 HydrophobicContact CB-CE1 4.09Å; A1190-F1343 HydrophobicContact CB-CE2 4.11Å; A1190-F1343 HydrophobicContact CB-CG 4.47Å; A1190-F1343 HydrophobicContact CB-CZ 3.98Å; L1194-F1343 HydrophobicContact CD1-CE2 3.49Å; L1194-F1343 VanDerWaalsContact CD1-CE2 3.49Å; L1194-F1343 HydrophobicContact CD1-CZ 3.88Å; Y1339-F1343 WeakPolarHBondContact O-CD2 3.45Å; Y1339-F1343 PolarHBondContact O-N 3.09Å; F1343-L1346 HydrophobicContact CD1-CD1 4.17Å; F1343-L1346 HydrophobicContact CE1-CD1 4.42Å; F1343-L1346 PolarHBondContact O-N 3.47Å; F1343-C1347 PolarHBondContact O-N 3.27Å; F1343-C1347 PolarHBondContact O-SG 3.07Å; F1343-L1449 HydrophobicContact CE2-CD1 4.25Å; F1343-L1449 HydrophobicContact CZ-CD1 4.45Å; F1343-F1456 HydrophobicContact CD1-CD2 4.25Å; F1343-F1456 AromaticContact CD1-CE2 3.8Å; F1343-F1456 HydrophobicContact CD1-CE2 3.8Å; F1343-F1456 HydrophobicContact CE1-CD2 4.32Å; F1343-F1456 HydrophobicContact CE1-CE2 4.18Å |
| 1344 | F | 90.4 | Very high | 90 | Very high | 48 Ų | 48 | 13.7 Ų | 13.7 | 21% | 0.211 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.5 | -47.8 | 170.8 | 178.1 | -114.1 | 0 | 0 | 0 | 111.9 | F4 A8 F11 G1340 T1341 V1342 L1346 C1347 I1348 | F4-F1344 HydrophobicContact CE1-CD2 4.44Å; F4-F1344 AromaticContact CE2-CD2 3.68Å; F4-F1344 HydrophobicContact CE2-CD2 3.68Å; F4-F1344 HydrophobicContact CE2-CE2 4.19Å; F4-F1344 AromaticContact CZ-CD2 3.62Å; F4-F1344 HydrophobicContact CZ-CD2 3.62Å; F4-F1344 HydrophobicContact CZ-CE2 4.14Å; A8-F1344 HydrophobicContact CB-CE2 4.46Å; F11-F1344 HydrophobicContact CB-CE1 4.45Å; F11-F1344 HydrophobicContact CB-CZ 4.22Å; F11-F1344 HydrophobicContact CD1-CE1 4.46Å; F11-F1344 HydrophobicContact CD2-CE1 4.17Å; F11-F1344 HydrophobicContact CG-CE1 4.12Å; F11-F1344 HydrophobicContact CG-CZ 4.38Å; G1340-F1344 WeakPolarHBondContact O-CB 3.3Å; G1340-F1344 PolarHBondContact O-N 3.48Å; T1341-F1344 PolarHBondContact O-N 3.23Å; V1342-F1344 PolarHBondContact O-N 2.74Å; F1344-L1346 VanDerWaalsContact C-N 3.3Å; F1344-L1346 PolarHBondContact O-N 2.95Å; F1344-C1347 WeakPolarHBondContact O-CB 3.46Å; F1344-C1347 PolarHBondContact O-N 2.7Å; F1344-I1348 HydrophobicContact CD1-CD1 3.68Å; F1344-I1348 HydrophobicContact CD2-CD1 4.26Å; F1344-I1348 HydrophobicContact CE1-CD1 3.39Å; F1344-I1348 HydrophobicContact CE2-CD1 4.01Å; F1344-I1348 HydrophobicContact CG-CD1 4.11Å; F1344-I1348 HydrophobicContact CZ-CD1 3.57Å; F1344-I1348 HydrophobicContact CZ-CG1 4.46Å; F1344-I1348 WeakPolarHBondContact O-CD1 3.35Å; F1344-I1348 WeakPolarHBondContact O-CG1 2.99Å; F1344-I1348 PolarHBondContact O-N 2.91Å; F1344-I1348 VanDerWaalsContact O-N 3.08Å |
| 1345 | L | 90.7 | Very high | 90 | Very high | 18 Ų | 18 | 15.6 Ų | 15.6 | 9% | 0.094 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 177.7 | -69.3 | 170 | 0 | 0 | 0 | 112.1 | F11 L141 L144 T1341 V1342 I1348 A1349 | F11-L1345 HydrophobicContact CE1-CD2 3.71Å; F11-L1345 HydrophobicContact CZ-CD2 3.71Å; L141-L1345 HydrophobicContact CD2-CD1 3.76Å; L144-L1345 HydrophobicContact CD2-CD1 3.86Å; T1341-L1345 HydrophobicContact CG2-CD1 4.16Å; T1341-L1345 VanDerWaalsContact O-CG 3.31Å; T1341-L1345 WeakPolarHBondContact O-CG 3.45Å; T1341-L1345 PolarHBondContact O-N 2.91Å; T1341-L1345 VanDerWaalsContact O-N 3.08Å; V1342-L1345 PolarHBondContact O-N 2.79Å; L1345-I1348 HydrophobicContact CD2-CD1 4.49Å; L1345-I1348 PolarHBondContact O-N 3.19Å; L1345-A1349 PolarHBondContact O-N 3.38Å; L1345-A1349 VanDerWaalsContact O-N 3.08Å |
| 1346 | L | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 171.6 | -68.2 | 170.7 | 0 | 0 | 0 | 112.1 | V1342 F1343 F1344 I1348 A1349 E1350 A1414 I1453 F1456 Y1460 | V1342-L1346 HydrophobicContact CG1-CD1 4.09Å; V1342-L1346 WeakPolarHBondContact O-CG 3.18Å; V1342-L1346 PolarHBondContact O-N 2.89Å; F1343-L1346 HydrophobicContact CD1-CD1 4.17Å; F1343-L1346 HydrophobicContact CE1-CD1 4.42Å; F1343-L1346 PolarHBondContact O-N 3.47Å; F1344-L1346 VanDerWaalsContact C-N 3.3Å; F1344-L1346 PolarHBondContact O-N 2.95Å; L1346-I1348 VanDerWaalsContact C-N 3.26Å; L1346-I1348 PolarHBondContact O-N 3.26Å; L1346-A1349 PolarHBondContact O-N 3.01Å; L1346-A1349 VanDerWaalsContact O-N 3.14Å; L1346-E1350 PolarHBondContact O-N 3.1Å; L1346-A1414 HydrophobicContact CD2-CB 4.04Å; L1346-I1453 HydrophobicContact CD1-CG1 4.1Å; L1346-I1453 HydrophobicContact CD1-CG2 4.36Å; L1346-F1456 HydrophobicContact CB-CB 4.43Å; L1346-F1456 HydrophobicContact CB-CD1 3.89Å; L1346-F1456 HydrophobicContact CB-CD2 4.22Å; L1346-F1456 HydrophobicContact CB-CE1 4.15Å; L1346-F1456 HydrophobicContact CB-CE2 4.48Å; L1346-F1456 HydrophobicContact CB-CG 3.93Å; L1346-F1456 HydrophobicContact CB-CZ 4.45Å; L1346-F1456 HydrophobicContact CD1-CB 4.25Å; L1346-F1456 HydrophobicContact CD1-CD2 4.03Å; L1346-F1456 HydrophobicContact CD1-CG 4.19Å; L1346-F1456 HydrophobicContact CD2-CB 4.21Å; L1346-F1456 HydrophobicContact CG-CG 4.47Å; L1346-Y1460 VanDerWaalsContact CA-OH 3.27Å; L1346-Y1460 WeakPolarHBondContact CA-OH 3.45Å; L1346-Y1460 WeakPolarHBondContact CB-OH 3.33Å; L1346-Y1460 HydrophobicContact CD2-CE2 3.92Å; L1346-Y1460 WeakPolarHBondContact CD2-OH 3.33Å; L1346-Y1460 PolarHBondContact O-OH 2.97Å |
| 1347 | C | 91.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.034 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.5 | -37.8 | 173.8 | -73.7 | 0 | 0 | 0 | 0 | 113.1 | F4 A1187 F1343 F1344 E1350 R1351 | F4-C1347 HydrophobicContact CZ-CB 4.39Å; A1187-C1347 WeakPolarHBondContact CB-SG 3.2Å; F1343-C1347 PolarHBondContact O-N 3.27Å; F1343-C1347 PolarHBondContact O-SG 3.07Å; F1344-C1347 WeakPolarHBondContact O-CB 3.46Å; F1344-C1347 PolarHBondContact O-N 2.7Å; C1347-E1350 PolarHBondContact O-N 3Å; C1347-R1351 VanDerWaalsContact O-CB 3.28Å; C1347-R1351 WeakPolarHBondContact O-CB 3.26Å; C1347-R1351 PolarHBondContact O-N 2.94Å |
| 1348 | I | 89.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.4 | -42.2 | 177.1 | -67.9 | 152.9 | 0 | 0 | 0 | 110.8 | F11 Q12 L15 F1344 L1345 L1346 R1351 T1352 | F11-I1348 HydrophobicContact CB-CD1 4.28Å; F11-I1348 HydrophobicContact CD1-CD1 3.26Å; F11-I1348 HydrophobicContact CD1-CG1 4.24Å; F11-I1348 HydrophobicContact CD1-CG2 4.28Å; F11-I1348 HydrophobicContact CE1-CD1 3.69Å; F11-I1348 HydrophobicContact CG-CD1 3.92Å; Q12-I1348 HydrophobicContact CB-CG2 4.43Å; L15-I1348 HydrophobicContact CD2-CG2 4.16Å; F1344-I1348 HydrophobicContact CD1-CD1 3.68Å; F1344-I1348 HydrophobicContact CD2-CD1 4.26Å; F1344-I1348 HydrophobicContact CE1-CD1 3.39Å; F1344-I1348 HydrophobicContact CE2-CD1 4.01Å; F1344-I1348 HydrophobicContact CG-CD1 4.11Å; F1344-I1348 HydrophobicContact CZ-CD1 3.57Å; F1344-I1348 HydrophobicContact CZ-CG1 4.46Å; F1344-I1348 WeakPolarHBondContact O-CD1 3.35Å; F1344-I1348 WeakPolarHBondContact O-CG1 2.99Å; F1344-I1348 PolarHBondContact O-N 2.91Å; F1344-I1348 VanDerWaalsContact O-N 3.08Å; L1345-I1348 HydrophobicContact CD2-CD1 4.49Å; L1345-I1348 PolarHBondContact O-N 3.19Å; L1346-I1348 VanDerWaalsContact C-N 3.26Å; L1346-I1348 PolarHBondContact O-N 3.26Å; I1348-R1351 PolarHBondContact O-N 3.08Å; I1348-T1352 WeakPolarHBondContact O-CG2 3.39Å; I1348-T1352 PolarHBondContact O-N 2.88Å; I1348-T1352 PolarHBondContact O-OG1 2.91Å; I1348-T1352 VanDerWaalsContact O-OG1 3.11Å |
| 1349 | A | 90.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1345 L1346 R1351 T1352 F1353 V1407 I1410 Y1460 | L1345-A1349 PolarHBondContact O-N 3.38Å; L1345-A1349 VanDerWaalsContact O-N 3.08Å; L1346-A1349 PolarHBondContact O-N 3.01Å; L1346-A1349 VanDerWaalsContact O-N 3.14Å; A1349-R1351 PolarHBondContact O-N 2.93Å; A1349-T1352 PolarHBondContact O-N 3.08Å; A1349-T1352 PolarHBondContact O-OG1 3.12Å; A1349-F1353 VanDerWaalsContact O-CD2 3.26Å; A1349-F1353 WeakPolarHBondContact O-CD2 3.31Å; A1349-F1353 PolarHBondContact O-N 3.45Å; A1349-V1407 HydrophobicContact CB-CG1 4.19Å; A1349-I1410 HydrophobicContact CB-CG2 4.02Å; A1349-Y1460 HydrophobicContact CB-CE1 4.19Å; A1349-Y1460 HydrophobicContact CB-CE2 4.49Å |
| 1350 | E | 90.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 2% | 0.023 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.5 | -150 | -81.4 | 147.8 | 0 | 0 | 111.5 | Y1183 L1346 C1347 F1353 Q1354 F1456 R1459 Y1460 | Y1183-E1350 HydrophobicContact CD1-CG 4.37Å; Y1183-E1350 HydrophobicContact CG-CG 4.11Å; L1346-E1350 PolarHBondContact O-N 3.1Å; C1347-E1350 PolarHBondContact O-N 3Å; E1350-F1353 PolarHBondContact O-N 3.2Å; E1350-Q1354 VanDerWaalsContact CD-NE2 3.35Å; E1350-Q1354 PolarHBondContact O-N 3.27Å; E1350-Q1354 PolarHBondContact OE1-NE2 2.91Å; E1350-Q1354 PolarHBondContact OE2-NE2 2.86Å; E1350-F1456 HydrophobicContact CB-CD1 4.36Å; E1350-F1456 HydrophobicContact CB-CE1 4.27Å; E1350-F1456 HydrophobicContact CG-CD1 4.38Å; E1350-F1456 HydrophobicContact CG-CE1 4.37Å; E1350-R1459 HydrophobicContact CG-CG 3.92Å; E1350-R1459 IonicContact OE1-CZ 2.78Å; E1350-R1459 IonicContact OE1-NE 3.2Å; E1350-R1459 PolarHBondContact OE1-NE 3.37Å; E1350-R1459 IonicContact OE1-NH2 2.77Å; E1350-R1459 PolarHBondContact OE1-NH2 2.98Å; E1350-Y1460 HydrophobicContact CB-CE1 3.87Å; E1350-Y1460 HydrophobicContact CG-CE1 4.13Å |
| 1351 | R | 89.1 | Confident | 89.8 | Confident | 15 Ų | 15 | 17.8 Ų | 17.8 | 6% | 0.057 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 177 | -175.8 | 169.9 | -170.5 | 114 | 20.4 | 112.8 | E5 I1179 C1347 I1348 A1349 F1353 Q1354 E1355 | E5-R1351 IonicContact OE2-NH1 2.67Å; I1179-R1351 HydrophobicContact CD1-CG 3.85Å; I1179-R1351 HydrophobicContact CG2-CG 4.42Å; C1347-R1351 VanDerWaalsContact O-CB 3.28Å; C1347-R1351 WeakPolarHBondContact O-CB 3.26Å; C1347-R1351 PolarHBondContact O-N 2.94Å; I1348-R1351 PolarHBondContact O-N 3.08Å; A1349-R1351 PolarHBondContact O-N 2.93Å; R1351-F1353 VanDerWaalsContact C-N 3.29Å; R1351-F1353 PolarHBondContact O-N 3.43Å; R1351-Q1354 PolarHBondContact O-N 2.94Å; R1351-Q1354 VanDerWaalsContact O-N 3.14Å; R1351-E1355 PolarHBondContact O-N 3.06Å |
| 1352 | T | 88.5 | Confident | 89.7 | Confident | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.2 | -34.2 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | Q12 I1348 A1349 R1356 P1403 V1407 | Q12-T1352 HydrophobicContact CG-CG2 3.68Å; I1348-T1352 WeakPolarHBondContact O-CG2 3.39Å; I1348-T1352 PolarHBondContact O-N 2.88Å; I1348-T1352 PolarHBondContact O-OG1 2.91Å; I1348-T1352 VanDerWaalsContact O-OG1 3.11Å; A1349-T1352 PolarHBondContact O-N 3.08Å; A1349-T1352 PolarHBondContact O-OG1 3.12Å; T1352-R1356 WeakPolarHBondContact O-CD 3.49Å; T1352-R1356 VanDerWaalsContact O-CG 3.24Å; T1352-R1356 WeakPolarHBondContact O-CG 3.11Å; T1352-R1356 PolarHBondContact O-N 2.78Å; T1352-P1403 HydrophobicContact CG2-CG 3.64Å; T1352-V1407 HydrophobicContact CG2-CG2 4.17Å; T1352-V1407 VanDerWaalsContact OG1-CG2 3.23Å; T1352-V1407 WeakPolarHBondContact OG1-CG2 3.27Å |
| 1353 | F | 87.9 | Confident | 89.5 | Confident | 5 Ų | 5 | 16 Ų | 16 | 2% | 0.022 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.5 | -36 | 171.7 | -85.4 | -63.1 | 0 | 0 | 0 | 113.5 | A1349 E1350 R1351 R1356 L1357 V1407 M1411 Y1460 L1463 I1467 | A1349-F1353 VanDerWaalsContact O-CD2 3.26Å; A1349-F1353 WeakPolarHBondContact O-CD2 3.31Å; A1349-F1353 PolarHBondContact O-N 3.45Å; E1350-F1353 PolarHBondContact O-N 3.2Å; R1351-F1353 VanDerWaalsContact C-N 3.29Å; R1351-F1353 PolarHBondContact O-N 3.43Å; F1353-R1356 PolarHBondContact O-N 3.38Å; F1353-L1357 PolarHBondContact O-N 2.85Å; F1353-V1407 HydrophobicContact CD2-CG1 3.85Å; F1353-V1407 HydrophobicContact CE2-CG1 3.32Å; F1353-V1407 HydrophobicContact CZ-CG1 3.84Å; F1353-M1411 HydrophobicContact CE2-CE 4.01Å; F1353-M1411 HydrophobicContact CE2-CG 4.04Å; F1353-M1411 HydrophobicContact CE2-SD 3.4Å; F1353-M1411 WeakPolarHBondContact CE2-SD 3.49Å; F1353-M1411 HydrophobicContact CZ-CE 3.58Å; F1353-M1411 HydrophobicContact CZ-SD 3.47Å; F1353-M1411 WeakPolarHBondContact CZ-SD 2.97Å; F1353-Y1460 HydrophobicContact CD2-CD1 4Å; F1353-Y1460 HydrophobicContact CD2-CG 4.41Å; F1353-Y1460 HydrophobicContact CE2-CD1 4.46Å; F1353-Y1460 HydrophobicContact CE2-CG 4.43Å; F1353-L1463 HydrophobicContact CB-CD2 3.5Å; F1353-L1463 VanDerWaalsContact CB-CD2 3.5Å; F1353-L1463 HydrophobicContact CB-CG 3.86Å; F1353-I1467 HydrophobicContact CD1-CD1 3.84Å |
| 1354 | Q | 90 | Very high | 89.2 | Confident | 20 Ų | 20 | 17.4 Ų | 17.4 | 9% | 0.093 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 172.2 | -69.7 | -158.4 | 41.5 | 0 | 0 | 110.3 | I1179 E1350 R1351 R1356 L1357 L1358 L1463 | I1179-Q1354 HydrophobicContact CG2-CB 3.85Å; I1179-Q1354 VanDerWaalsContact CG2-CD 3.5Å; I1179-Q1354 HydrophobicContact CG2-CG 4.16Å; I1179-Q1354 VanDerWaalsContact CG2-OE1 3.3Å; E1350-Q1354 VanDerWaalsContact CD-NE2 3.35Å; E1350-Q1354 PolarHBondContact O-N 3.27Å; E1350-Q1354 PolarHBondContact OE1-NE2 2.91Å; E1350-Q1354 PolarHBondContact OE2-NE2 2.86Å; R1351-Q1354 PolarHBondContact O-N 2.94Å; R1351-Q1354 VanDerWaalsContact O-N 3.14Å; Q1354-R1356 VanDerWaalsContact C-N 3.33Å; Q1354-R1356 PolarHBondContact O-N 3.38Å; Q1354-L1357 WeakPolarHBondContact O-CB 3.4Å; Q1354-L1357 PolarHBondContact O-N 3.2Å; Q1354-L1357 VanDerWaalsContact O-N 3.13Å; Q1354-L1358 VanDerWaalsContact O-CD1 3.3Å; Q1354-L1358 WeakPolarHBondContact O-CD1 3.47Å; Q1354-L1358 PolarHBondContact O-N 3.32Å; Q1354-L1463 HydrophobicContact CG-CD2 4.04Å |
| 1355 | E | 88.7 | Confident | 88.9 | Confident | 39 Ų | 39 | 15.2 Ų | 15.2 | 18% | 0.182 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 175.2 | -72.3 | 176.1 | -155.1 | 0 | 0 | 112.7 | Q12 V1174 I1179 R1351 L1357 L1358 Y1359 | Q12-E1355 PolarHBondContact NE2-OE1 2.87Å; Q12-E1355 PolarHBondContact NE2-OE2 3.43Å; V1174-E1355 HydrophobicContact CG1-CG 4.49Å; I1179-E1355 HydrophobicContact CD1-CG 3.49Å; I1179-E1355 VanDerWaalsContact CD1-CG 3.49Å; I1179-E1355 WeakPolarHBondContact CD1-OE1 3.28Å; R1351-E1355 PolarHBondContact O-N 3.06Å; E1355-L1357 VanDerWaalsContact C-N 3.33Å; E1355-L1357 PolarHBondContact O-N 2.65Å; E1355-L1358 CarbonylContact O-C 3.57Å; E1355-L1358 WeakPolarHBondContact O-CA 3.26Å; E1355-L1358 WeakPolarHBondContact O-CB 3.38Å; E1355-L1358 PolarHBondContact O-N 3.45Å; E1355-L1358 VanDerWaalsContact O-N 3.1Å; E1355-Y1359 HydrophobicContact CB-CE2 4.44Å; E1355-Y1359 WeakPolarHBondContact O-CD2 3.3Å; E1355-Y1359 PolarHBondContact O-N 2.97Å |
| 1356 | R | 88.5 | Confident | 88.7 | Confident | 34 Ų | 34 | 14.3 Ų | 14.3 | 13% | 0.128 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.1 | -35.3 | 175.3 | -73.7 | 163.2 | 167.2 | -116.1 | -36.6 | 112.9 | T1352 F1353 Q1354 A1360 R1401 G1402 P1403 I1467 | T1352-R1356 WeakPolarHBondContact O-CD 3.49Å; T1352-R1356 VanDerWaalsContact O-CG 3.24Å; T1352-R1356 WeakPolarHBondContact O-CG 3.11Å; T1352-R1356 PolarHBondContact O-N 2.78Å; F1353-R1356 PolarHBondContact O-N 3.38Å; Q1354-R1356 VanDerWaalsContact C-N 3.33Å; Q1354-R1356 PolarHBondContact O-N 3.38Å; R1356-A1360 PolarHBondContact O-N 3.49Å; R1356-A1360 VanDerWaalsContact O-N 3.15Å; R1356-R1401 PolarHBondContact NH2-O 3.25Å; R1356-R1401 VanDerWaalsContact NH2-O 3.08Å; R1356-G1402 PolarHBondContact NH2-O 3.04Å; R1356-P1403 VanDerWaalsContact CZ-O 3.22Å; R1356-P1403 PolarHBondContact NE-O 3.45Å; R1356-P1403 PolarHBondContact NH2-O 2.97Å; R1356-I1467 HydrophobicContact CB-CD1 3.78Å |
| 1357 | L | 88.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 14.5 Ų | 14.5 | 18% | 0.183 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 170.7 | -172.4 | 76 | 0 | 0 | 0 | 111.7 | F1353 Q1354 E1355 A1360 K1361 L1463 K1466 I1467 K1470 | F1353-L1357 PolarHBondContact O-N 2.85Å; Q1354-L1357 WeakPolarHBondContact O-CB 3.4Å; Q1354-L1357 PolarHBondContact O-N 3.2Å; Q1354-L1357 VanDerWaalsContact O-N 3.13Å; E1355-L1357 VanDerWaalsContact C-N 3.33Å; E1355-L1357 PolarHBondContact O-N 2.65Å; L1357-A1360 PolarHBondContact O-N 2.88Å; L1357-K1361 WeakPolarHBondContact O-CB 3.36Å; L1357-K1361 PolarHBondContact O-N 2.93Å; L1357-L1463 HydrophobicContact CB-CD1 3.84Å; L1357-L1463 HydrophobicContact CD1-CD1 4.27Å; L1357-L1463 HydrophobicContact CD2-CD1 3.64Å; L1357-L1463 HydrophobicContact CG-CD1 4.11Å; L1357-K1466 HydrophobicContact CD1-CB 3.74Å; L1357-I1467 HydrophobicContact CB-CG1 3.97Å; L1357-I1467 HydrophobicContact CD1-CG1 3.86Å; L1357-K1470 HydrophobicContact CD1-CD 3.85Å |
| 1358 | L | 88.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 16 Ų | 16 | 7% | 0.068 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.4 | -51.4 | 174.1 | -93.7 | 60.6 | 0 | 0 | 0 | 111 | V1174 Q1177 Q1354 E1355 A1360 K1361 Y1362 | V1174-L1358 HydrophobicContact CG1-CB 4.17Å; V1174-L1358 HydrophobicContact CG1-CD2 4.29Å; V1174-L1358 HydrophobicContact CG2-CB 4.2Å; Q1177-L1358 HydrophobicContact CB-CD2 3.82Å; Q1177-L1358 HydrophobicContact CG-CD2 4.08Å; Q1354-L1358 VanDerWaalsContact O-CD1 3.3Å; Q1354-L1358 WeakPolarHBondContact O-CD1 3.47Å; Q1354-L1358 PolarHBondContact O-N 3.32Å; E1355-L1358 CarbonylContact O-C 3.57Å; E1355-L1358 WeakPolarHBondContact O-CA 3.26Å; E1355-L1358 WeakPolarHBondContact O-CB 3.38Å; E1355-L1358 PolarHBondContact O-N 3.45Å; E1355-L1358 VanDerWaalsContact O-N 3.1Å; L1358-A1360 VanDerWaalsContact C-N 3.28Å; L1358-A1360 PolarHBondContact O-N 2.95Å; L1358-K1361 WeakPolarHBondContact O-CA 3.4Å; L1358-K1361 WeakPolarHBondContact O-CB 3.41Å; L1358-K1361 PolarHBondContact O-N 3.21Å; L1358-Y1362 HydrophobicContact CB-CD2 4.25Å; L1358-Y1362 HydrophobicContact CB-CE2 4.02Å; L1358-Y1362 HydrophobicContact CD2-CE2 4.4Å; L1358-Y1362 HydrophobicContact CG-CE2 4.06Å; L1358-Y1362 WeakPolarHBondContact O-CD2 3.46Å; L1358-Y1362 PolarHBondContact O-N 2.79Å |
| 1359 | Y | 89.6 | Confident | 87.7 | Confident | 13 Ų | 13 | 17 Ų | 17 | 5% | 0.051 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -51.9 | -45.8 | 174.9 | -77.3 | -64.7 | 0 | 0 | 0 | 111.9 | V1170 I1171 V1174 E1355 K1361 F1363 L1398 R1401 | V1170-Y1359 HydrophobicContact CG1-CD1 4.32Å; I1171-Y1359 HydrophobicContact CG1-CE1 4.03Å; V1174-Y1359 HydrophobicContact CB-CE1 4.12Å; V1174-Y1359 HydrophobicContact CG1-CE1 4.34Å; V1174-Y1359 HydrophobicContact CG1-CE2 4.14Å; V1174-Y1359 HydrophobicContact CG2-CD1 3.64Å; V1174-Y1359 HydrophobicContact CG2-CE1 3.72Å; V1174-Y1359 HydrophobicContact CG2-CG 4.07Å; E1355-Y1359 HydrophobicContact CB-CE2 4.44Å; E1355-Y1359 WeakPolarHBondContact O-CD2 3.3Å; E1355-Y1359 PolarHBondContact O-N 2.97Å; Y1359-K1361 PolarHBondContact O-N 3.33Å; Y1359-F1363 VanDerWaalsContact O-CB 3.26Å; Y1359-F1363 WeakPolarHBondContact O-CB 3.48Å; Y1359-F1363 PolarHBondContact O-N 2.78Å; Y1359-L1398 HydrophobicContact CD1-CD2 4.03Å; Y1359-L1398 HydrophobicContact CE1-CD2 4.4Å; Y1359-R1401 PolarHBondContact OH-NE 3.07Å |
| 1360 | A | 88.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1356 L1357 L1358 F1364 K1470 Y1471 | R1356-A1360 PolarHBondContact O-N 3.49Å; R1356-A1360 VanDerWaalsContact O-N 3.15Å; L1357-A1360 PolarHBondContact O-N 2.88Å; L1358-A1360 VanDerWaalsContact C-N 3.28Å; L1358-A1360 PolarHBondContact O-N 2.95Å; A1360-F1364 PolarHBondContact O-N 3.48Å; A1360-K1470 HydrophobicContact CB-CB 4.03Å; A1360-K1470 HydrophobicContact CB-CD 4.23Å; A1360-Y1471 HydrophobicContact CB-CD2 3.95Å; A1360-Y1471 HydrophobicContact CB-CE1 4.39Å; A1360-Y1471 HydrophobicContact CB-CE2 3.47Å; A1360-Y1471 VanDerWaalsContact CB-CE2 3.47Å |
| 1361 | K | 89 | Confident | 87 | Confident | 61 Ų | 61 | 30.9 Ų | 30.9 | 27% | 0.265 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.5 | -45.4 | 178.4 | -172 | -167.3 | 179.3 | -159.4 | 0 | 111.9 | L1357 L1358 Y1359 S1365 Y1375 K1470 | L1357-K1361 WeakPolarHBondContact O-CB 3.36Å; L1357-K1361 PolarHBondContact O-N 2.93Å; L1358-K1361 WeakPolarHBondContact O-CA 3.4Å; L1358-K1361 WeakPolarHBondContact O-CB 3.41Å; L1358-K1361 PolarHBondContact O-N 3.21Å; Y1359-K1361 PolarHBondContact O-N 3.33Å; K1361-S1365 PolarHBondContact O-N 2.99Å; K1361-Y1375 VanDerWaalsContact CE-CZ 3.42Å; K1361-Y1375 WeakPolarHBondContact CE-OH 3.42Å; K1361-Y1375 VanDerWaalsContact NZ-CE1 3.33Å; K1361-Y1375 PolarHBondContact NZ-OH 3.16Å; K1361-K1470 HydrophobicContact CB-CD 4.42Å |
| 1362 | Y | 88.1 | Confident | 86.8 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.4 | -39.5 | 178.8 | -68.6 | -69.2 | 0 | 0 | 0 | 112 | A1173 V1174 Q1177 L1358 F1364 S1365 L1366 Y1375 V1377 | A1173-Y1362 HydrophobicContact CB-CD1 4.05Å; A1173-Y1362 HydrophobicContact CB-CE1 3.97Å; A1173-Y1362 HydrophobicContact CB-CG 4.41Å; A1173-Y1362 PolarHBondContact O-OH 3.09Å; V1174-Y1362 HydrophobicContact CB-CE2 4.46Å; V1174-Y1362 HydrophobicContact CG2-CD2 3.45Å; V1174-Y1362 VanDerWaalsContact CG2-CD2 3.45Å; V1174-Y1362 HydrophobicContact CG2-CE2 3.81Å; V1174-Y1362 HydrophobicContact CG2-CG 4.47Å; Q1177-Y1362 PolarHBondContact OE1-OH 3.13Å; L1358-Y1362 HydrophobicContact CB-CD2 4.25Å; L1358-Y1362 HydrophobicContact CB-CE2 4.02Å; L1358-Y1362 HydrophobicContact CD2-CE2 4.4Å; L1358-Y1362 HydrophobicContact CG-CE2 4.06Å; L1358-Y1362 WeakPolarHBondContact O-CD2 3.46Å; L1358-Y1362 PolarHBondContact O-N 2.79Å; Y1362-F1364 VanDerWaalsContact C-N 3.31Å; Y1362-F1364 PolarHBondContact O-N 3.48Å; Y1362-S1365 WeakPolarHBondContact O-CB 3.48Å; Y1362-S1365 PolarHBondContact O-N 2.97Å; Y1362-S1365 PolarHBondContact O-OG 3.42Å; Y1362-L1366 PolarHBondContact O-N 3.3Å; Y1362-Y1375 HydrophobicContact CD1-CD1 4.29Å; Y1362-Y1375 HydrophobicContact CD1-CD2 4.49Å; Y1362-Y1375 AromaticContact CD1-CG 3.91Å; Y1362-Y1375 HydrophobicContact CD1-CG 3.91Å; Y1362-Y1375 AromaticContact CE1-CD1 3.63Å; Y1362-Y1375 HydrophobicContact CE1-CD1 3.63Å; Y1362-Y1375 AromaticContact CE1-CG 3.68Å; Y1362-Y1375 HydrophobicContact CE1-CG 3.68Å; Y1362-V1377 HydrophobicContact CD1-CG2 3.83Å |
| 1363 | F | 88.2 | Confident | 86.5 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.4 | -45 | 172.6 | 173.5 | -102.8 | 0 | 0 | 0 | 112 | Y1359 S1365 L1366 W1391 L1394 R1395 L1398 Y1471 | Y1359-F1363 VanDerWaalsContact O-CB 3.26Å; Y1359-F1363 WeakPolarHBondContact O-CB 3.48Å; Y1359-F1363 PolarHBondContact O-N 2.78Å; F1363-S1365 PolarHBondContact O-N 3.44Å; F1363-L1366 HydrophobicContact CD2-CD1 3.7Å; F1363-L1366 HydrophobicContact CE2-CD1 4.22Å; F1363-L1366 HydrophobicContact CG-CD1 4.48Å; F1363-L1366 WeakPolarHBondContact O-CB 3.44Å; F1363-L1366 WeakPolarHBondContact O-CD1 3.22Å; F1363-L1366 WeakPolarHBondContact O-CG 3.08Å; F1363-L1366 PolarHBondContact O-N 2.81Å; F1363-W1391 AromaticContact CE1-CE2 3.9Å; F1363-W1391 HydrophobicContact CE1-CH2 4.29Å; F1363-W1391 AromaticContact CE1-CZ2 3.69Å; F1363-W1391 HydrophobicContact CE1-CZ2 3.69Å; F1363-W1391 HydrophobicContact CE2-CD2 4.46Å; F1363-W1391 HydrophobicContact CE2-CG 4.45Å; F1363-W1391 AromaticContact CZ-CD2 3.76Å; F1363-W1391 HydrophobicContact CZ-CD2 3.76Å; F1363-W1391 AromaticContact CZ-CE2 3.34Å; F1363-W1391 HydrophobicContact CZ-CE3 4.33Å; F1363-W1391 HydrophobicContact CZ-CG 4.2Å; F1363-W1391 HydrophobicContact CZ-CH2 4.2Å; F1363-W1391 AromaticContact CZ-CZ2 3.6Å; F1363-W1391 HydrophobicContact CZ-CZ2 3.6Å; F1363-W1391 AromaticContact CZ-NE1 3.52Å; F1363-L1394 HydrophobicContact CD2-CG 4.4Å; F1363-L1394 HydrophobicContact CE2-CG 4.43Å; F1363-R1395 HydrophobicContact CE1-CB 4.11Å; F1363-R1395 HydrophobicContact CE1-CG 3.94Å; F1363-R1395 HydrophobicContact CE2-CB 3.84Å; F1363-R1395 HydrophobicContact CZ-CB 3.46Å; F1363-R1395 VanDerWaalsContact CZ-CB 3.46Å; F1363-R1395 HydrophobicContact CZ-CG 3.8Å; F1363-L1398 HydrophobicContact CB-CD1 4.04Å; F1363-L1398 HydrophobicContact CD2-CD1 3.93Å; F1363-L1398 HydrophobicContact CG-CD1 4.38Å; F1363-Y1471 HydrophobicContact CD1-CD1 4.16Å; F1363-Y1471 AromaticContact CD1-CE1 3.81Å; F1363-Y1471 HydrophobicContact CD1-CE1 3.81Å; F1363-Y1471 HydrophobicContact CE1-CD1 4.46Å; F1363-Y1471 HydrophobicContact CE1-CE1 4.39Å; F1363-Y1471 HydrophobicContact CG-CE1 4.34Å |
| 1364 | F | 84.4 | Confident | 86.4 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65 | -25.2 | 175.9 | -162.5 | -77.6 | 0 | 0 | 0 | 112.9 | A1360 Y1362 L1366 N1473 V1476 | A1360-F1364 PolarHBondContact O-N 3.48Å; Y1362-F1364 VanDerWaalsContact C-N 3.31Å; Y1362-F1364 PolarHBondContact O-N 3.48Å; F1364-L1366 VanDerWaalsContact C-N 3.32Å; F1364-L1366 PolarHBondContact O-N 2.85Å; F1364-N1473 HydrophobicContact CD2-CB 4.46Å; F1364-N1473 HydrophobicContact CE2-CB 3.66Å; F1364-N1473 HydrophobicContact CZ-CB 4.4Å; F1364-V1476 HydrophobicContact CD1-CG2 4.19Å; F1364-V1476 HydrophobicContact CD2-CG2 4.28Å; F1364-V1476 HydrophobicContact CE1-CG2 3.66Å; F1364-V1476 HydrophobicContact CE2-CG2 3.78Å; F1364-V1476 HydrophobicContact CG-CG2 4.48Å; F1364-V1476 HydrophobicContact CZ-CB 4.47Å; F1364-V1476 HydrophobicContact CZ-CG2 3.46Å; F1364-V1476 VanDerWaalsContact CZ-CG2 3.46Å |
| 1365 | S | 85.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.6 | -18.6 | 178.3 | 73.6 | 0 | 0 | 0 | 0 | 114.2 | K1361 Y1362 F1363 T1367 S1368 | K1361-S1365 PolarHBondContact O-N 2.99Å; Y1362-S1365 WeakPolarHBondContact O-CB 3.48Å; Y1362-S1365 PolarHBondContact O-N 2.97Å; Y1362-S1365 PolarHBondContact O-OG 3.42Å; F1363-S1365 PolarHBondContact O-N 3.44Å; S1365-T1367 PolarHBondContact O-N 2.93Å; S1365-T1367 VanDerWaalsContact O-N 3.14Å; S1365-S1368 PolarHBondContact O-N 2.95Å |
| 1366 | L | 86.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.8 | -175.8 | -67.8 | 170.3 | 0 | 0 | 0 | 114.6 | I1166 V1170 Y1362 F1363 F1364 V1377 P1378 Q1379 F1380 L1394 | I1166-L1366 HydrophobicContact CG2-CD1 4.45Å; I1166-L1366 HydrophobicContact CG2-CD2 3.83Å; V1170-L1366 HydrophobicContact CG2-CD1 4.37Å; V1170-L1366 HydrophobicContact CG2-CD2 3.86Å; V1170-L1366 HydrophobicContact CG2-CG 4.41Å; Y1362-L1366 PolarHBondContact O-N 3.3Å; F1363-L1366 HydrophobicContact CD2-CD1 3.7Å; F1363-L1366 HydrophobicContact CE2-CD1 4.22Å; F1363-L1366 HydrophobicContact CG-CD1 4.48Å; F1363-L1366 WeakPolarHBondContact O-CB 3.44Å; F1363-L1366 WeakPolarHBondContact O-CD1 3.22Å; F1363-L1366 WeakPolarHBondContact O-CG 3.08Å; F1363-L1366 PolarHBondContact O-N 2.81Å; F1364-L1366 VanDerWaalsContact C-N 3.32Å; F1364-L1366 PolarHBondContact O-N 2.85Å; L1366-V1377 HydrophobicContact CD2-CG1 3.48Å; L1366-V1377 VanDerWaalsContact CD2-CG1 3.48Å; L1366-V1377 HydrophobicContact CG-CG1 4.48Å; L1366-P1378 VanDerWaalsContact CD2-O 3.25Å; L1366-P1378 WeakPolarHBondContact CD2-O 3.41Å; L1366-Q1379 CarbonylContact O-C 3.58Å; L1366-Q1379 WeakPolarHBondContact O-CA 3.05Å; L1366-F1380 HydrophobicContact CB-CE1 4.1Å; L1366-F1380 HydrophobicContact CD1-CE1 4.33Å; L1366-F1380 PolarHBondContact O-N 3.16Å; L1366-L1394 HydrophobicContact CD1-CD2 3.47Å; L1366-L1394 VanDerWaalsContact CD1-CD2 3.47Å; L1366-L1394 HydrophobicContact CD1-CG 4.43Å |
| 1367 | T | 86 | Confident | 85.3 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -16.9 | -178.1 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | S1365 Q1379 F1380 L1382 V1476 | S1365-T1367 PolarHBondContact O-N 2.93Å; S1365-T1367 VanDerWaalsContact O-N 3.14Å; T1367-Q1379 PolarHBondContact O-NE2 3.25Å; T1367-F1380 WeakPolarHBondContact CA-O 3.49Å; T1367-L1382 HydrophobicContact CG2-CD1 4.43Å; T1367-L1382 HydrophobicContact CG2-CD2 4.32Å; T1367-L1382 HydrophobicContact CG2-CG 4.13Å; T1367-V1476 HydrophobicContact CG2-CG1 3.79Å; T1367-V1476 VanDerWaalsContact OG1-CG1 3.29Å; T1367-V1476 WeakPolarHBondContact OG1-CG1 3.29Å; T1367-V1476 WeakPolarHBondContact OG1-CG2 3.19Å |
| 1368 | S | 83.6 | Confident | 85.2 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | trans | -110.5 | 113.3 | -169.8 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | S1365 R1370 R1371 A1372 | S1365-S1368 PolarHBondContact O-N 2.95Å; S1368-R1370 PolarHBondContact O-N 3.36Å; S1368-R1371 CarbonylContact O-C 3.16Å; S1368-R1371 PolarHBondContact O-N 2.92Å; S1368-A1372 WeakPolarHBondContact O-CB 3.26Å; S1368-A1372 PolarHBondContact O-N 3.15Å | ||
| 1369 | G | 80.8 | Confident | 85.1 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -48.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1371 A1372 L1373 | G1369-R1371 PolarHBondContact O-N 3.26Å; G1369-A1372 PolarHBondContact O-N 3.45Å; G1369-L1373 WeakPolarHBondContact O-CB 3.31Å; G1369-L1373 PolarHBondContact O-N 2.89Å |
| 1370 | R | 83.8 | Confident | 85.1 | Confident | 213 Ų | 213 | 45.2 Ų | 45.2 | 80% | 0.804 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -56.2 | -37.2 | 175.4 | -65.2 | -175.8 | -177 | 170.8 | 1.4 | 111.6 | S1368 K1374 | S1368-R1370 PolarHBondContact O-N 3.36Å; R1370-K1374 WeakPolarHBondContact O-CB 3.36Å; R1370-K1374 PolarHBondContact O-N 3.02Å |
| 1371 | R | 84.3 | Confident | 84.9 | Confident | 84 Ų | 84 | 49.8 Ų | 49.8 | 32% | 0.317 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -78.8 | -42.6 | 179.7 | -59.1 | -178.8 | -175.5 | -173.3 | 4.2 | 111.8 | S1368 G1369 L1373 K1374 Y1375 | S1368-R1371 CarbonylContact O-C 3.16Å; S1368-R1371 PolarHBondContact O-N 2.92Å; G1369-R1371 PolarHBondContact O-N 3.26Å; R1371-L1373 VanDerWaalsContact C-N 3.31Å; R1371-L1373 PolarHBondContact O-N 3.11Å; R1371-K1374 PolarHBondContact O-N 3.34Å; R1371-Y1375 HydrophobicContact CB-CE2 4.48Å; R1371-Y1375 WeakPolarHBondContact O-CD2 3.37Å; R1371-Y1375 PolarHBondContact O-N 3.44Å; R1371-Y1375 VanDerWaalsContact O-N 3.1Å |
| 1372 | A | 84.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1368 G1369 Y1375 R1376 V1377 Q1379 | S1368-A1372 WeakPolarHBondContact O-CB 3.26Å; S1368-A1372 PolarHBondContact O-N 3.15Å; G1369-A1372 PolarHBondContact O-N 3.45Å; A1372-Y1375 CarbonylContact O-C 3.48Å; A1372-Y1375 PolarHBondContact O-N 3.34Å; A1372-R1376 WeakPolarHBondContact O-CA 3.31Å; A1372-R1376 PolarHBondContact O-N 2.99Å; A1372-V1377 PolarHBondContact O-N 2.56Å; A1372-Q1379 HydrophobicContact CB-CB 3.75Å; A1372-Q1379 HydrophobicContact CB-CG 4.15Å |
| 1373 | L | 83.5 | Confident | 84.5 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 41% | 0.414 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.6 | -53.9 | 172.1 | 175.3 | 58.1 | 0 | 0 | 0 | 111.8 | W1151 G1369 R1371 Y1375 R1376 | W1151-L1373 HydrophobicContact CB-CD1 4.06Å; W1151-L1373 HydrophobicContact CD2-CB 4.35Å; W1151-L1373 HydrophobicContact CD2-CD1 3.7Å; W1151-L1373 HydrophobicContact CD2-CG 4.46Å; W1151-L1373 HydrophobicContact CE3-CD1 3.99Å; W1151-L1373 HydrophobicContact CG-CB 4.32Å; W1151-L1373 HydrophobicContact CG-CD1 3.73Å; G1369-L1373 WeakPolarHBondContact O-CB 3.31Å; G1369-L1373 PolarHBondContact O-N 2.89Å; R1371-L1373 VanDerWaalsContact C-N 3.31Å; R1371-L1373 PolarHBondContact O-N 3.11Å; L1373-Y1375 PolarHBondContact O-N 2.78Å; L1373-R1376 PolarHBondContact O-N 3.5Å; L1373-R1376 VanDerWaalsContact O-N 3.08Å |
| 1374 | K | 83.8 | Confident | 84.4 | Confident | 124 Ų | 124 | 55.1 Ų | 55.1 | 54% | 0.539 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -19.3 | -179.5 | -157.6 | 158 | -166.7 | 159.2 | 0 | 113.2 | D687 R1370 R1371 | D687-K1374 VanDerWaalsContact CG-NZ 3.26Å; D687-K1374 IonicContact OD1-NZ 2.72Å; D687-K1374 PolarHBondContact OD1-NZ 3.24Å; D687-K1374 IonicContact OD2-NZ 2.79Å; D687-K1374 PolarHBondContact OD2-NZ 2.92Å; R1370-K1374 WeakPolarHBondContact O-CB 3.36Å; R1370-K1374 PolarHBondContact O-N 3.02Å; R1371-K1374 PolarHBondContact O-N 3.34Å |
| 1375 | Y | 81.4 | Confident | 84.3 | Confident | 67 Ų | 67 | 56 Ų | 56 | 26% | 0.263 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -114.2 | -3.5 | 178.1 | -64.3 | -50.2 | 0 | 0 | 0 | 115.6 | K1361 Y1362 R1371 A1372 L1373 V1377 | K1361-Y1375 VanDerWaalsContact CE-CZ 3.42Å; K1361-Y1375 WeakPolarHBondContact CE-OH 3.42Å; K1361-Y1375 VanDerWaalsContact NZ-CE1 3.33Å; K1361-Y1375 PolarHBondContact NZ-OH 3.16Å; Y1362-Y1375 HydrophobicContact CD1-CD1 4.29Å; Y1362-Y1375 HydrophobicContact CD1-CD2 4.49Å; Y1362-Y1375 AromaticContact CD1-CG 3.91Å; Y1362-Y1375 HydrophobicContact CD1-CG 3.91Å; Y1362-Y1375 AromaticContact CE1-CD1 3.63Å; Y1362-Y1375 HydrophobicContact CE1-CD1 3.63Å; Y1362-Y1375 AromaticContact CE1-CG 3.68Å; Y1362-Y1375 HydrophobicContact CE1-CG 3.68Å; R1371-Y1375 HydrophobicContact CB-CE2 4.48Å; R1371-Y1375 WeakPolarHBondContact O-CD2 3.37Å; R1371-Y1375 PolarHBondContact O-N 3.44Å; R1371-Y1375 VanDerWaalsContact O-N 3.1Å; A1372-Y1375 CarbonylContact O-C 3.48Å; A1372-Y1375 PolarHBondContact O-N 3.34Å; L1373-Y1375 PolarHBondContact O-N 2.78Å; Y1375-V1377 VanDerWaalsContact C-N 3.31Å; Y1375-V1377 PolarHBondContact O-N 3.15Å |
| 1376 | R | 81.1 | Confident | 84.2 | Confident | 179 Ų | 179 | 57.9 Ų | 57.9 | 68% | 0.675 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.1 | -173.7 | -55.7 | -172.3 | -176.3 | -162.7 | 1.7 | 114.3 | A1372 L1373 | A1372-R1376 WeakPolarHBondContact O-CA 3.31Å; A1372-R1376 PolarHBondContact O-N 2.99Å; L1373-R1376 PolarHBondContact O-N 3.5Å; L1373-R1376 VanDerWaalsContact O-N 3.08Å |
| 1377 | V | 83.4 | Confident | 84.2 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 27% | 0.272 | C | S | . | . | trans | -106.4 | 145 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | V1170 A1173 Y1362 L1366 A1372 Y1375 Q1379 | V1170-V1377 HydrophobicContact CG2-CG1 3.74Å; A1173-V1377 HydrophobicContact CB-CG2 3.86Å; Y1362-V1377 HydrophobicContact CD1-CG2 3.83Å; L1366-V1377 HydrophobicContact CD2-CG1 3.48Å; L1366-V1377 VanDerWaalsContact CD2-CG1 3.48Å; L1366-V1377 HydrophobicContact CG-CG1 4.48Å; A1372-V1377 PolarHBondContact O-N 2.56Å; Y1375-V1377 VanDerWaalsContact C-N 3.31Å; Y1375-V1377 PolarHBondContact O-N 3.15Å; V1377-Q1379 PolarHBondContact O-N 3.27Å | ||
| 1378 | P | 85.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | trans | -55.7 | 129.4 | 173.5 | 20.9 | -34.7 | 0 | 0 | 0 | 112.8 | C1148 Y1149 M1150 L1161 I1166 N1169 L1366 | C1148-P1378 HydrophobicContact CB-CB 4.06Å; Y1149-P1378 CarbonylContact O-C 3.42Å; Y1149-P1378 WeakPolarHBondContact O-CA 3.42Å; M1150-P1378 HydrophobicContact CG-CB 3.86Å; L1161-P1378 HydrophobicContact CD1-CB 3.95Å; L1161-P1378 HydrophobicContact CD1-CG 4.23Å; I1166-P1378 HydrophobicContact CG2-CG 4.2Å; N1169-P1378 HydrophobicContact CB-CG 3.96Å; L1366-P1378 VanDerWaalsContact CD2-O 3.25Å; L1366-P1378 WeakPolarHBondContact CD2-O 3.41Å | ||
| 1379 | Q | 86.9 | Confident | 84.2 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 141.2 | 173.2 | -167.4 | -164.2 | -10.8 | 0 | 0 | 111.1 | C1148 Y1149 L1366 T1367 A1372 V1377 | C1148-Q1379 CarbonylContact C-O 3.58Å; C1148-Q1379 VanDerWaalsContact CA-O 3.25Å; C1148-Q1379 WeakPolarHBondContact CA-O 3.03Å; Y1149-Q1379 PolarHBondContact N-O 3.09Å; Y1149-Q1379 PolarHBondContact O-N 3.37Å; L1366-Q1379 CarbonylContact O-C 3.58Å; L1366-Q1379 WeakPolarHBondContact O-CA 3.05Å; T1367-Q1379 PolarHBondContact O-NE2 3.25Å; A1372-Q1379 HydrophobicContact CB-CB 3.75Å; A1372-Q1379 HydrophobicContact CB-CG 4.15Å; V1377-Q1379 PolarHBondContact O-N 3.27Å |
| 1380 | F | 88.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -145.3 | 145.3 | 161.6 | 66.7 | -83.9 | 0 | 0 | 0 | 112 | V1146 I1166 L1366 T1367 L1382 H1387 W1391 | V1146-F1380 HydrophobicContact CG1-CB 3.76Å; V1146-F1380 HydrophobicContact CG1-CD1 4.31Å; V1146-F1380 HydrophobicContact CG1-CD2 3.65Å; V1146-F1380 HydrophobicContact CG1-CE2 4.27Å; V1146-F1380 HydrophobicContact CG1-CG 3.66Å; I1166-F1380 HydrophobicContact CD1-CD1 4.45Å; I1166-F1380 HydrophobicContact CD1-CE1 4.3Å; I1166-F1380 HydrophobicContact CG2-CE1 4.24Å; L1366-F1380 HydrophobicContact CB-CE1 4.1Å; L1366-F1380 HydrophobicContact CD1-CE1 4.33Å; L1366-F1380 PolarHBondContact O-N 3.16Å; T1367-F1380 WeakPolarHBondContact CA-O 3.49Å; F1380-L1382 HydrophobicContact CD2-CD2 4.22Å; F1380-L1382 HydrophobicContact CE2-CD2 3.75Å; F1380-H1387 HydrophobicContact CD2-CB 4.2Å; F1380-H1387 HydrophobicContact CE2-CB 4.4Å; F1380-W1391 HydrophobicContact CE2-CB 4.03Å; F1380-W1391 HydrophobicContact CZ-CB 4.04Å; F1380-W1391 AromaticContact CZ-CD1 3.98Å; F1380-W1391 HydrophobicContact CZ-CG 4.45Å | ||
| 1381 | R | 84.8 | Confident | 84.6 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | trans | -88.9 | 151.5 | 173.9 | -70.4 | -75.3 | -159.6 | 149.8 | 13.8 | 110.3 | N1383 H1387 E1480 N1483 | R1381-N1383 PolarHBondContact O-N 3.06Å; R1381-H1387 PolarHBondContact O-ND1 3.17Å; R1381-E1480 WeakPolarHBondContact CA-OE2 3.2Å; R1381-E1480 WeakPolarHBondContact CD-OE1 3.44Å; R1381-E1480 WeakPolarHBondContact CD-OE2 3.24Å; R1381-E1480 IonicContact CZ-OE1 2.69Å; R1381-E1480 IonicContact NE-OE1 2.59Å; R1381-E1480 IonicContact NH1-OE1 3.77Å; R1381-E1480 PolarHBondContact NH1-OE1 3.37Å; R1381-N1483 VanDerWaalsContact NH1-CG 3.27Å; R1381-N1483 PolarHBondContact NH1-ND2 2.72Å; R1381-N1483 PolarHBondContact NH1-OD1 3.07Å; R1381-N1483 PolarHBondContact NH2-OD1 2.98Å | ||
| 1382 | L | 84.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -85.8 | 28.6 | -179.5 | -57.9 | -173.9 | 0 | 0 | 0 | 112.9 | T1367 F1380 K1384 I1388 W1391 V1476 L1477 E1480 T1501 L1505 | T1367-L1382 HydrophobicContact CG2-CD1 4.43Å; T1367-L1382 HydrophobicContact CG2-CD2 4.32Å; T1367-L1382 HydrophobicContact CG2-CG 4.13Å; F1380-L1382 HydrophobicContact CD2-CD2 4.22Å; F1380-L1382 HydrophobicContact CE2-CD2 3.75Å; L1382-K1384 PolarHBondContact O-N 3.23Å; L1382-I1388 HydrophobicContact CB-CG1 4.05Å; L1382-W1391 HydrophobicContact CD1-CD2 4.38Å; L1382-W1391 HydrophobicContact CD1-CG 4.36Å; L1382-W1391 HydrophobicContact CD2-CB 3.68Å; L1382-W1391 HydrophobicContact CD2-CG 3.8Å; L1382-V1476 HydrophobicContact CD1-CG1 4.42Å; L1382-L1477 HydrophobicContact CD1-CD2 4.14Å; L1382-E1480 HydrophobicContact CB-CB 4.18Å; L1382-E1480 HydrophobicContact CB-CG 4.03Å; L1382-E1480 HydrophobicContact CD1-CB 4.44Å; L1382-E1480 HydrophobicContact CD1-CG 4.1Å; L1382-E1480 HydrophobicContact CG-CG 4.05Å; L1382-E1480 PolarHBondContact N-OE2 2.98Å; L1382-T1501 WeakPolarHBondContact O-CG2 3.3Å; L1382-L1505 HydrophobicContact CD1-CD1 4.15Å | ||
| 1383 | N | 84 | Confident | 84.5 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 40% | 0.401 | 22% | 0.217 | S | C | . | . | trans | -75.5 | 13.4 | -175.3 | 72.4 | -25.3 | 0 | 0 | 0 | 115.3 | R1381 H1387 L1484 | R1381-N1383 PolarHBondContact O-N 3.06Å; N1383-H1387 PolarHBondContact OD1-ND1 2.96Å; N1383-L1484 HydrophobicContact CB-CD2 4.46Å | ||
| 1384 | K | 85.6 | Confident | 84.6 | Confident | 115 Ų | 115 | 42.6 Ų | 42.6 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -150.2 | 145.2 | 176.2 | -65.4 | -165.3 | 174 | -154.4 | 0 | 110.7 | L1382 G1386 H1387 I1388 | L1382-K1384 PolarHBondContact O-N 3.23Å; K1384-G1386 VanDerWaalsContact C-N 3.25Å; K1384-G1386 PolarHBondContact O-N 3.44Å; K1384-H1387 HydrophobicContact CB-CB 4.48Å; K1384-H1387 WeakPolarHBondContact O-CA 3.11Å; K1384-H1387 WeakPolarHBondContact O-CB 3.35Å; K1384-H1387 PolarHBondContact O-N 2.75Å; K1384-I1388 PolarHBondContact O-N 3.36Å; K1384-I1388 VanDerWaalsContact O-N 3.08Å |
| 1385 | V | 83.6 | Confident | 84.7 | Confident | 51 Ų | 51 | 37.3 Ų | 37.3 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -51.6 | -41.7 | 173.2 | -177 | 0 | 0 | 0 | 0 | 112.7 | H1387 I1388 K1389 L1500 V1504 | V1385-H1387 VanDerWaalsContact C-N 3.3Å; V1385-H1387 PolarHBondContact O-N 2.75Å; V1385-I1388 PolarHBondContact O-N 3.18Å; V1385-K1389 WeakPolarHBondContact O-CB 3.44Å; V1385-K1389 PolarHBondContact O-N 2.97Å; V1385-L1500 HydrophobicContact CG2-CD2 3.38Å; V1385-V1504 HydrophobicContact CG2-CG2 4.29Å |
| 1386 | G | 82.3 | Confident | 84.7 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 40% | 0.402 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.1 | -33.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1384 C1390 | K1384-G1386 VanDerWaalsContact C-N 3.25Å; K1384-G1386 PolarHBondContact O-N 3.44Å; G1386-C1390 WeakPolarHBondContact O-CB 3.41Å; G1386-C1390 PolarHBondContact O-N 3.12Å |
| 1387 | H | 86.9 | Confident | 84.7 | Confident | 19 Ų | 19 | 26.3 Ų | 26.3 | 9% | 0.088 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -72.5 | -38.8 | 174.7 | -63.5 | -171.2 | 0 | 0 | 0 | 111 | F1380 R1381 N1383 K1384 V1385 C1390 W1391 | F1380-H1387 HydrophobicContact CD2-CB 4.2Å; F1380-H1387 HydrophobicContact CE2-CB 4.4Å; R1381-H1387 PolarHBondContact O-ND1 3.17Å; N1383-H1387 PolarHBondContact OD1-ND1 2.96Å; K1384-H1387 HydrophobicContact CB-CB 4.48Å; K1384-H1387 WeakPolarHBondContact O-CA 3.11Å; K1384-H1387 WeakPolarHBondContact O-CB 3.35Å; K1384-H1387 PolarHBondContact O-N 2.75Å; V1385-H1387 VanDerWaalsContact C-N 3.3Å; V1385-H1387 PolarHBondContact O-N 2.75Å; H1387-C1390 PolarHBondContact O-N 3.45Å; H1387-W1391 WeakPolarHBondContact O-CB 3.31Å; H1387-W1391 PolarHBondContact O-N 2.83Å |
| 1388 | I | 85.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 173.4 | -62.2 | 172.4 | 0 | 0 | 0 | 110.7 | L1382 K1384 V1385 C1390 W1391 L1392 T1501 V1504 L1505 V1508 | L1382-I1388 HydrophobicContact CB-CG1 4.05Å; K1384-I1388 PolarHBondContact O-N 3.36Å; K1384-I1388 VanDerWaalsContact O-N 3.08Å; V1385-I1388 PolarHBondContact O-N 3.18Å; I1388-C1390 PolarHBondContact O-N 2.8Å; I1388-W1391 PolarHBondContact O-N 3.25Å; I1388-L1392 HydrophobicContact CG2-CD1 4.03Å; I1388-L1392 HydrophobicContact CG2-CG 4.49Å; I1388-L1392 WeakPolarHBondContact O-CG 3.34Å; I1388-L1392 PolarHBondContact O-N 3.17Å; I1388-T1501 HydrophobicContact CD1-CG2 3.65Å; I1388-V1504 HydrophobicContact CD1-CG1 4.1Å; I1388-V1504 HydrophobicContact CG2-CG1 4.25Å; I1388-L1505 HydrophobicContact CD1-CB 4.02Å; I1388-L1505 HydrophobicContact CD1-CD1 3.99Å; I1388-L1505 HydrophobicContact CG1-CD1 4.29Å; I1388-V1508 HydrophobicContact CG2-CG1 4.49Å; I1388-V1508 HydrophobicContact CG2-CG2 4.02Å |
| 1389 | K | 84.5 | Confident | 84.6 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.7 | -49.7 | 174.2 | -176.5 | -169.2 | 175.7 | -172.8 | 0 | 110.9 | I50 D1144 V1385 L1392 M1393 | I50-K1389 HydrophobicContact CD1-CB 4.46Å; D1144-K1389 IonicContact OD2-NZ 3.96Å; D1144-K1389 PolarHBondContact OD2-NZ 2.98Å; V1385-K1389 WeakPolarHBondContact O-CB 3.44Å; V1385-K1389 PolarHBondContact O-N 2.97Å; K1389-L1392 PolarHBondContact O-N 2.84Å; K1389-M1393 HydrophobicContact CG-CE 4.05Å; K1389-M1393 HydrophobicContact CG-SD 4.3Å; K1389-M1393 VanDerWaalsContact O-CG 3.3Å; K1389-M1393 WeakPolarHBondContact O-CG 3.48Å; K1389-M1393 PolarHBondContact O-N 3.25Å |
| 1390 | C | 84.1 | Confident | 84 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 176.2 | -174 | 0 | 0 | 0 | 0 | 112.8 | V1146 G1386 H1387 I1388 L1392 M1393 L1394 | V1146-C1390 HydrophobicContact CG2-CB 3.43Å; V1146-C1390 VanDerWaalsContact CG2-CB 3.43Å; G1386-C1390 WeakPolarHBondContact O-CB 3.41Å; G1386-C1390 PolarHBondContact O-N 3.12Å; H1387-C1390 PolarHBondContact O-N 3.45Å; I1388-C1390 PolarHBondContact O-N 2.8Å; C1390-L1392 VanDerWaalsContact C-N 3.32Å; C1390-L1392 PolarHBondContact O-N 2.75Å; C1390-M1393 PolarHBondContact O-N 2.83Å; C1390-L1394 WeakPolarHBondContact O-CB 3.33Å; C1390-L1394 PolarHBondContact O-N 3.33Å |
| 1391 | W | 87.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 33 Ų | 33 | 3% | 0.03 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 178 | -174 | 92 | 0 | 0 | 0 | 111.9 | F1363 F1380 L1382 H1387 I1388 R1395 V1476 L1477 L1512 | F1363-W1391 AromaticContact CE1-CE2 3.9Å; F1363-W1391 HydrophobicContact CE1-CH2 4.29Å; F1363-W1391 AromaticContact CE1-CZ2 3.69Å; F1363-W1391 HydrophobicContact CE1-CZ2 3.69Å; F1363-W1391 HydrophobicContact CE2-CD2 4.46Å; F1363-W1391 HydrophobicContact CE2-CG 4.45Å; F1363-W1391 AromaticContact CZ-CD2 3.76Å; F1363-W1391 HydrophobicContact CZ-CD2 3.76Å; F1363-W1391 AromaticContact CZ-CE2 3.34Å; F1363-W1391 HydrophobicContact CZ-CE3 4.33Å; F1363-W1391 HydrophobicContact CZ-CG 4.2Å; F1363-W1391 HydrophobicContact CZ-CH2 4.2Å; F1363-W1391 AromaticContact CZ-CZ2 3.6Å; F1363-W1391 HydrophobicContact CZ-CZ2 3.6Å; F1363-W1391 AromaticContact CZ-NE1 3.52Å; F1380-W1391 HydrophobicContact CE2-CB 4.03Å; F1380-W1391 HydrophobicContact CZ-CB 4.04Å; F1380-W1391 AromaticContact CZ-CD1 3.98Å; F1380-W1391 HydrophobicContact CZ-CG 4.45Å; L1382-W1391 HydrophobicContact CD1-CD2 4.38Å; L1382-W1391 HydrophobicContact CD1-CG 4.36Å; L1382-W1391 HydrophobicContact CD2-CB 3.68Å; L1382-W1391 HydrophobicContact CD2-CG 3.8Å; H1387-W1391 WeakPolarHBondContact O-CB 3.31Å; H1387-W1391 PolarHBondContact O-N 2.83Å; I1388-W1391 PolarHBondContact O-N 3.25Å; W1391-R1395 VanDerWaalsContact O-CB 3.28Å; W1391-R1395 WeakPolarHBondContact O-CB 3.43Å; W1391-R1395 PolarHBondContact O-N 3.43Å; W1391-V1476 HydrophobicContact CZ2-CG1 4.19Å; W1391-L1477 HydrophobicContact CE3-CD2 4.43Å; W1391-L1477 HydrophobicContact CH2-CD2 3.74Å; W1391-L1477 HydrophobicContact CH2-CG 4.29Å; W1391-L1477 HydrophobicContact CZ2-CD2 4.28Å; W1391-L1477 HydrophobicContact CZ3-CD2 3.82Å; W1391-L1512 HydrophobicContact CH2-CD1 4.4Å; W1391-L1512 HydrophobicContact CZ3-CD1 3.94Å |
| 1392 | L | 84.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.9 | -46.8 | 175.7 | -72.7 | 170.4 | 0 | 0 | 0 | 113.1 | I55 I1388 K1389 C1390 L1394 R1395 S1396 V1508 L1512 | I55-L1392 HydrophobicContact CD1-CD1 4.41Å; I55-L1392 HydrophobicContact CG1-CD1 4.28Å; I55-L1392 HydrophobicContact CG2-CD2 4.46Å; I1388-L1392 HydrophobicContact CG2-CD1 4.03Å; I1388-L1392 HydrophobicContact CG2-CG 4.49Å; I1388-L1392 WeakPolarHBondContact O-CG 3.34Å; I1388-L1392 PolarHBondContact O-N 3.17Å; K1389-L1392 PolarHBondContact O-N 2.84Å; C1390-L1392 VanDerWaalsContact C-N 3.32Å; C1390-L1392 PolarHBondContact O-N 2.75Å; L1392-L1394 VanDerWaalsContact C-N 3.27Å; L1392-L1394 PolarHBondContact O-N 3.24Å; L1392-R1395 WeakPolarHBondContact O-CB 3.12Å; L1392-R1395 PolarHBondContact O-N 3.28Å; L1392-S1396 PolarHBondContact O-N 3.27Å; L1392-S1396 PolarHBondContact O-OG 3.37Å; L1392-V1508 HydrophobicContact CD1-CG1 3.96Å; L1392-V1508 HydrophobicContact CD1-CG2 3.71Å; L1392-V1508 HydrophobicContact CD2-CG1 3.84Å; L1392-V1508 HydrophobicContact CG-CG1 4.27Å; L1392-L1512 HydrophobicContact CD2-CD1 4.08Å; L1392-L1512 HydrophobicContact CD2-CD2 4.37Å; L1392-L1512 HydrophobicContact CD2-CG 4.49Å |
| 1393 | M | 83.2 | Confident | 82.7 | Confident | 40 Ų | 40 | 29.5 Ų | 29.5 | 20% | 0.197 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -39.2 | 175.6 | -66.6 | -176.4 | -55.3 | 0 | 0 | 111.3 | V54 M1163 K1389 C1390 S1396 Y1397 | V54-M1393 HydrophobicContact CG1-CB 4.42Å; V54-M1393 HydrophobicContact CG1-CG 3.53Å; M1163-M1393 HydrophobicContact CE-CB 3.77Å; M1163-M1393 WeakPolarHBondContact CE-O 3.16Å; M1163-M1393 HydrophobicContact CG-CB 4.48Å; M1163-M1393 HydrophobicContact SD-CB 3.41Å; M1163-M1393 WeakPolarHBondContact SD-CB 3.49Å; M1163-M1393 HydrophobicContact SD-CE 3.94Å; M1163-M1393 HydrophobicContact SD-CG 4.38Å; M1163-M1393 HydrophobicContact SD-SD 4.3Å; K1389-M1393 HydrophobicContact CG-CE 4.05Å; K1389-M1393 HydrophobicContact CG-SD 4.3Å; K1389-M1393 VanDerWaalsContact O-CG 3.3Å; K1389-M1393 WeakPolarHBondContact O-CG 3.48Å; K1389-M1393 PolarHBondContact O-N 3.25Å; C1390-M1393 PolarHBondContact O-N 2.83Å; M1393-S1396 PolarHBondContact O-OG 3.43Å; M1393-Y1397 VanDerWaalsContact O-CB 3.24Å; M1393-Y1397 WeakPolarHBondContact O-CB 3.43Å; M1393-Y1397 PolarHBondContact O-N 3.17Å |
| 1394 | L | 85.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.6 | -37.2 | 176.9 | -174.9 | 61.2 | 0 | 0 | 0 | 112.2 | M1163 I1166 F1363 L1366 C1390 L1392 Y1397 L1398 | M1163-L1394 HydrophobicContact CG-CB 4.43Å; I1166-L1394 HydrophobicContact CB-CD2 4.22Å; I1166-L1394 HydrophobicContact CG2-CD2 3.5Å; F1363-L1394 HydrophobicContact CD2-CG 4.4Å; F1363-L1394 HydrophobicContact CE2-CG 4.43Å; L1366-L1394 HydrophobicContact CD1-CD2 3.47Å; L1366-L1394 VanDerWaalsContact CD1-CD2 3.47Å; L1366-L1394 HydrophobicContact CD1-CG 4.43Å; C1390-L1394 WeakPolarHBondContact O-CB 3.33Å; C1390-L1394 PolarHBondContact O-N 3.33Å; L1392-L1394 VanDerWaalsContact C-N 3.27Å; L1392-L1394 PolarHBondContact O-N 3.24Å; L1394-Y1397 HydrophobicContact CD1-CD1 4.4Å; L1394-L1398 HydrophobicContact CD1-CD1 3.84Å; L1394-L1398 HydrophobicContact CD1-CG 3.94Å; L1394-L1398 HydrophobicContact CG-CD1 3.91Å; L1394-L1398 HydrophobicContact CG-CG 4.37Å; L1394-L1398 WeakPolarHBondContact O-CB 3.26Å; L1394-L1398 VanDerWaalsContact O-CG 3.31Å; L1394-L1398 WeakPolarHBondContact O-CG 3.47Å; L1394-L1398 PolarHBondContact O-N 3.05Å |
| 1395 | R | 85.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 23.8 Ų | 23.8 | 5% | 0.049 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.4 | -52.6 | 172 | -174.5 | -176.6 | 172.8 | 94.7 | -4.2 | 110.8 | F1363 W1391 L1392 K1399 Y1471 D1516 | F1363-R1395 HydrophobicContact CE1-CB 4.11Å; F1363-R1395 HydrophobicContact CE1-CG 3.94Å; F1363-R1395 HydrophobicContact CE2-CB 3.84Å; F1363-R1395 HydrophobicContact CZ-CB 3.46Å; F1363-R1395 VanDerWaalsContact CZ-CB 3.46Å; F1363-R1395 HydrophobicContact CZ-CG 3.8Å; W1391-R1395 VanDerWaalsContact O-CB 3.28Å; W1391-R1395 WeakPolarHBondContact O-CB 3.43Å; W1391-R1395 PolarHBondContact O-N 3.43Å; L1392-R1395 WeakPolarHBondContact O-CB 3.12Å; L1392-R1395 PolarHBondContact O-N 3.28Å; R1395-K1399 WeakPolarHBondContact O-CB 3.18Å; R1395-K1399 PolarHBondContact O-N 3.29Å; R1395-Y1471 HydrophobicContact CG-CD1 4.48Å; R1395-Y1471 VanDerWaalsContact CZ-O 3.31Å; R1395-Y1471 PolarHBondContact NH1-O 2.96Å; R1395-Y1471 PolarHBondContact NH2-O 3.48Å; R1395-D1516 IonicContact CZ-OD2 2.71Å; R1395-D1516 IonicContact NE-OD2 3.61Å; R1395-D1516 IonicContact NH2-OD2 3.65Å; R1395-D1516 PolarHBondContact NH2-OD2 3.33Å |
| 1396 | S | 80.3 | Confident | 82.1 | Confident | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -73 | -32.3 | -176.1 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | V54 F60 L1392 M1393 K1400 | V54-S1396 WeakPolarHBondContact O-CB 3.17Å; V54-S1396 PolarHBondContact O-OG 3.35Å; F60-S1396 WeakPolarHBondContact CE2-OG 3.39Å; L1392-S1396 PolarHBondContact O-N 3.27Å; L1392-S1396 PolarHBondContact O-OG 3.37Å; M1393-S1396 PolarHBondContact O-OG 3.43Å; S1396-K1400 PolarHBondContact O-N 3.4Å |
| 1397 | Y | 81.3 | Confident | 82.3 | Confident | 10 Ų | 10 | 19.7 Ų | 19.7 | 4% | 0.039 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.5 | -56 | 169 | 176 | -105.4 | 0 | 0 | 0 | 111.9 | W23 V27 F60 M1163 I1171 M1393 L1394 K1399 K1400 R1401 | W23-Y1397 AromaticContact CZ3-CD2 3.98Å; W23-Y1397 HydrophobicContact CZ3-CD2 3.98Å; W23-Y1397 HydrophobicContact CZ3-CE2 4.02Å; V27-Y1397 HydrophobicContact CG1-CE2 3.84Å; F60-Y1397 HydrophobicContact CE1-CD2 4.46Å; F60-Y1397 HydrophobicContact CZ-CD2 4.45Å; M1163-Y1397 HydrophobicContact CE-CG 4.24Å; I1171-Y1397 HydrophobicContact CD1-CE1 4.4Å; M1393-Y1397 VanDerWaalsContact O-CB 3.24Å; M1393-Y1397 WeakPolarHBondContact O-CB 3.43Å; M1393-Y1397 PolarHBondContact O-N 3.17Å; L1394-Y1397 HydrophobicContact CD1-CD1 4.4Å; Y1397-K1399 PolarHBondContact O-N 2.96Å; Y1397-K1400 PolarHBondContact O-N 2.79Å; Y1397-R1401 PolarHBondContact O-N 3.14Å; Y1397-R1401 PolarHBondContact OH-NH1 2.87Å; Y1397-R1401 VanDerWaalsContact OH-NH1 3.16Å |
| 1398 | L | 84.5 | Confident | 82.1 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.2 | -32.9 | -177.1 | -68 | 176 | 0 | 0 | 0 | 113.1 | V1170 Y1359 F1363 L1394 K1400 | V1170-L1398 HydrophobicContact CB-CD1 4.44Å; V1170-L1398 HydrophobicContact CG1-CD1 3.89Å; V1170-L1398 HydrophobicContact CG1-CD2 4.2Å; Y1359-L1398 HydrophobicContact CD1-CD2 4.03Å; Y1359-L1398 HydrophobicContact CE1-CD2 4.4Å; F1363-L1398 HydrophobicContact CB-CD1 4.04Å; F1363-L1398 HydrophobicContact CD2-CD1 3.93Å; F1363-L1398 HydrophobicContact CG-CD1 4.38Å; L1394-L1398 HydrophobicContact CD1-CD1 3.84Å; L1394-L1398 HydrophobicContact CD1-CG 3.94Å; L1394-L1398 HydrophobicContact CG-CD1 3.91Å; L1394-L1398 HydrophobicContact CG-CG 4.37Å; L1394-L1398 WeakPolarHBondContact O-CB 3.26Å; L1394-L1398 VanDerWaalsContact O-CG 3.31Å; L1394-L1398 WeakPolarHBondContact O-CG 3.47Å; L1394-L1398 PolarHBondContact O-N 3.05Å; L1398-K1400 PolarHBondContact O-N 3.2Å |
| 1399 | K | 82 | Confident | 82 | Confident | 86 Ų | 86 | 23.3 Ų | 23.3 | 37% | 0.374 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -63.5 | -27.6 | 175.5 | -177.1 | -179.9 | 174.9 | -168.6 | 0 | 112.8 | R1395 Y1397 D1516 | R1395-K1399 WeakPolarHBondContact O-CB 3.18Å; R1395-K1399 PolarHBondContact O-N 3.29Å; Y1397-K1399 PolarHBondContact O-N 2.96Å; K1399-D1516 IonicContact NZ-OD1 2.8Å; K1399-D1516 PolarHBondContact NZ-OD1 3.49Å |
| 1400 | K | 75.9 | Confident | 82.3 | Confident | 40 Ų | 40 | 21.4 Ų | 21.4 | 17% | 0.174 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -104.9 | -11 | -177 | -72.5 | -175.2 | 143 | -157.9 | 0 | 114.9 | G57 F60 K62 S1396 Y1397 L1398 | G57-K1400 WeakPolarHBondContact O-CD 3.39Å; G57-K1400 WeakPolarHBondContact O-CE 3.31Å; G57-K1400 PolarHBondContact O-NZ 3.11Å; F60-K1400 HydrophobicContact CB-CD 3.72Å; F60-K1400 WeakPolarHBondContact O-CD 3.49Å; F60-K1400 PolarHBondContact O-NZ 2.85Å; K62-K1400 VanDerWaalsContact CE-O 3.26Å; K62-K1400 WeakPolarHBondContact CE-O 3.47Å; S1396-K1400 PolarHBondContact O-N 3.4Å; Y1397-K1400 PolarHBondContact O-N 2.79Å; L1398-K1400 PolarHBondContact O-N 3.2Å |
| 1401 | R | 75.7 | Confident | 82.4 | Confident | 41 Ų | 41 | 21.5 Ų | 21.5 | 16% | 0.155 | 10% | 0.101 | C | C | . | . | trans | -59.2 | 148.1 | 178.7 | -176.9 | 175.2 | 170.8 | 88.3 | 3.2 | 112.6 | I1171 R1356 Y1359 Y1397 | I1171-R1401 VanDerWaalsContact CD1-NH1 3.35Å; R1356-R1401 PolarHBondContact NH2-O 3.25Å; R1356-R1401 VanDerWaalsContact NH2-O 3.08Å; Y1359-R1401 PolarHBondContact OH-NE 3.07Å; Y1397-R1401 PolarHBondContact O-N 3.14Å; Y1397-R1401 PolarHBondContact OH-NH1 2.87Å; Y1397-R1401 VanDerWaalsContact OH-NH1 3.16Å | ||
| 1402 | G | 76.9 | Confident | 82.4 | Confident | 14 Ų | 14 | 21.4 Ų | 21.4 | 14% | 0.144 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 77.5 | 177.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | K62 R1356 Q1404 | K62-G1402 PolarHBondContact NZ-O 3.43Å; R1356-G1402 PolarHBondContact NH2-O 3.04Å; G1402-Q1404 PolarHBondContact O-N 2.85Å; G1402-Q1404 VanDerWaalsContact O-N 3.1Å |
| 1403 | P | 77.2 | Confident | 82.5 | Confident | 8 Ų | 8 | 22.5 Ų | 22.5 | 5% | 0.052 | 11% | 0.107 | C | C | . | . | trans | -64.5 | 113.5 | -177.5 | 26.7 | -34 | 0 | 0 | 0 | 110.2 | L15 D19 T1352 R1356 V1407 | L15-P1403 HydrophobicContact CB-CB 4.49Å; D19-P1403 WeakPolarHBondContact OD2-CA 3.35Å; T1352-P1403 HydrophobicContact CG2-CG 3.64Å; R1356-P1403 VanDerWaalsContact CZ-O 3.22Å; R1356-P1403 PolarHBondContact NE-O 3.45Å; R1356-P1403 PolarHBondContact NH2-O 2.97Å; P1403-V1407 HydrophobicContact CB-CG2 4.17Å; P1403-V1407 HydrophobicContact CG-CG2 4.37Å; P1403-V1407 WeakPolarHBondContact O-CG2 3.13Å | ||
| 1404 | Q | 79.8 | Confident | 82.8 | Confident | 47 Ų | 47 | 21 Ų | 21 | 22% | 0.22 | 10% | 0.101 | C | C | . | . | trans | -103.7 | -57.9 | 174.1 | -178 | 158.6 | -2.8 | 0 | 0 | 110.2 | D19 K62 G1402 S1406 V1407 E1408 | D19-Q1404 PolarHBondContact OD2-N 3.37Å; K62-Q1404 HydrophobicContact CD-CB 4.32Å; G1402-Q1404 PolarHBondContact O-N 2.85Å; G1402-Q1404 VanDerWaalsContact O-N 3.1Å; Q1404-S1406 PolarHBondContact O-N 2.82Å; Q1404-V1407 PolarHBondContact O-N 3.23Å; Q1404-E1408 HydrophobicContact CG-CG 4.37Å; Q1404-E1408 WeakPolarHBondContact CG-OE1 3.29Å; Q1404-E1408 PolarHBondContact NE2-OE1 3.46Å; Q1404-E1408 WeakPolarHBondContact O-CB 3.45Å; Q1404-E1408 WeakPolarHBondContact O-CG 3.33Å; Q1404-E1408 PolarHBondContact O-N 3.28Å | ||
| 1405 | R | 76 | Confident | 82.9 | Confident | 23 Ų | 23 | 24.1 Ų | 24.1 | 9% | 0.087 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | -167.4 | -172.1 | -164.2 | 151.7 | 115.8 | 15.8 | 112.2 | D19 A63 T65 V1407 E1408 H1409 | D19-R1405 WeakPolarHBondContact OD1-CB 3.27Å; D19-R1405 PolarHBondContact OD2-N 2.89Å; A63-R1405 PolarHBondContact O-NH1 2.78Å; T65-R1405 PolarHBondContact OG1-NH1 2.82Å; T65-R1405 PolarHBondContact OG1-NH2 2.91Å; R1405-V1407 VanDerWaalsContact C-N 3.34Å; R1405-E1408 PolarHBondContact O-N 3.08Å; R1405-H1409 PolarHBondContact O-CD2 3.19Å; R1405-H1409 PolarHBondContact O-N 3.26Å |
| 1406 | S | 84.9 | Confident | 83 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -39.7 | 177.5 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | Q1404 H1409 I1410 | Q1404-S1406 PolarHBondContact O-N 2.82Å; S1406-H1409 PolarHBondContact O-N 3.26Å; S1406-I1410 WeakPolarHBondContact O-CD1 3.24Å; S1406-I1410 VanDerWaalsContact O-CG1 3.24Å; S1406-I1410 WeakPolarHBondContact O-CG1 3.18Å; S1406-I1410 PolarHBondContact O-N 2.88Å |
| 1407 | V | 85.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.6 | -40 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 111.3 | A1349 T1352 F1353 P1403 Q1404 R1405 I1410 M1411 | A1349-V1407 HydrophobicContact CB-CG1 4.19Å; T1352-V1407 HydrophobicContact CG2-CG2 4.17Å; T1352-V1407 VanDerWaalsContact OG1-CG2 3.23Å; T1352-V1407 WeakPolarHBondContact OG1-CG2 3.27Å; F1353-V1407 HydrophobicContact CD2-CG1 3.85Å; F1353-V1407 HydrophobicContact CE2-CG1 3.32Å; F1353-V1407 HydrophobicContact CZ-CG1 3.84Å; P1403-V1407 HydrophobicContact CB-CG2 4.17Å; P1403-V1407 HydrophobicContact CG-CG2 4.37Å; P1403-V1407 WeakPolarHBondContact O-CG2 3.13Å; Q1404-V1407 PolarHBondContact O-N 3.23Å; R1405-V1407 VanDerWaalsContact C-N 3.34Å; V1407-I1410 PolarHBondContact O-N 3.36Å; V1407-M1411 WeakPolarHBondContact O-CG 3.36Å; V1407-M1411 PolarHBondContact O-N 2.78Å |
| 1408 | E | 83.7 | Confident | 83.8 | Confident | 64 Ų | 64 | 28.4 Ų | 28.4 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 172.9 | -75.6 | 168.7 | -178.2 | 0 | 0 | 112.2 | Q1404 R1405 M1411 T1412 | Q1404-E1408 HydrophobicContact CG-CG 4.37Å; Q1404-E1408 WeakPolarHBondContact CG-OE1 3.29Å; Q1404-E1408 PolarHBondContact NE2-OE1 3.46Å; Q1404-E1408 WeakPolarHBondContact O-CB 3.45Å; Q1404-E1408 WeakPolarHBondContact O-CG 3.33Å; Q1404-E1408 PolarHBondContact O-N 3.28Å; R1405-E1408 PolarHBondContact O-N 3.08Å; E1408-M1411 HydrophobicContact CG-CE 4.14Å; E1408-M1411 PolarHBondContact O-N 3.11Å; E1408-T1412 PolarHBondContact O-N 2.96Å; E1408-T1412 PolarHBondContact O-OG1 3.01Å |
| 1409 | H | 83.9 | Confident | 83.9 | Confident | 31 Ų | 31 | 29.8 Ų | 29.8 | 14% | 0.144 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.6 | -73.9 | -54.6 | 0 | 0 | 0 | 113.1 | R1405 S1406 T1412 I1413 | R1405-H1409 PolarHBondContact O-CD2 3.19Å; R1405-H1409 PolarHBondContact O-N 3.26Å; S1406-H1409 PolarHBondContact O-N 3.26Å; H1409-T1412 WeakPolarHBondContact CA-OG1 3.31Å; H1409-T1412 PolarHBondContact O-N 3.07Å; H1409-T1412 PolarHBondContact O-OG1 3.39Å; H1409-T1412 VanDerWaalsContact O-OG1 3.12Å; H1409-I1413 WeakPolarHBondContact O-CB 3.34Å; H1409-I1413 PolarHBondContact O-N 2.85Å |
| 1410 | I | 89.2 | Confident | 84.1 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 173.9 | -69.5 | 162.4 | 0 | 0 | 0 | 110.2 | L15 L144 I148 A1349 S1406 V1407 A1414 | L15-I1410 HydrophobicContact CD2-CD1 4.16Å; L144-I1410 HydrophobicContact CD1-CG1 3.94Å; L144-I1410 HydrophobicContact CD2-CG1 4.36Å; I148-I1410 HydrophobicContact CD1-CD1 4.4Å; I148-I1410 HydrophobicContact CD1-CG1 4.22Å; A1349-I1410 HydrophobicContact CB-CG2 4.02Å; S1406-I1410 WeakPolarHBondContact O-CD1 3.24Å; S1406-I1410 VanDerWaalsContact O-CG1 3.24Å; S1406-I1410 WeakPolarHBondContact O-CG1 3.18Å; S1406-I1410 PolarHBondContact O-N 2.88Å; V1407-I1410 PolarHBondContact O-N 3.36Å; I1410-A1414 VanDerWaalsContact O-CB 3.24Å; I1410-A1414 WeakPolarHBondContact O-CB 3.41Å; I1410-A1414 PolarHBondContact O-N 2.85Å |
| 1411 | M | 87.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -46.3 | 176.1 | -74.2 | -166.8 | -59.7 | 0 | 0 | 112.8 | F1353 V1407 E1408 A1414 F1415 Y1460 V1521 | F1353-M1411 HydrophobicContact CE2-CE 4.01Å; F1353-M1411 HydrophobicContact CE2-CG 4.04Å; F1353-M1411 HydrophobicContact CE2-SD 3.4Å; F1353-M1411 WeakPolarHBondContact CE2-SD 3.49Å; F1353-M1411 HydrophobicContact CZ-CE 3.58Å; F1353-M1411 HydrophobicContact CZ-SD 3.47Å; F1353-M1411 WeakPolarHBondContact CZ-SD 2.97Å; V1407-M1411 WeakPolarHBondContact O-CG 3.36Å; V1407-M1411 PolarHBondContact O-N 2.78Å; E1408-M1411 HydrophobicContact CG-CE 4.14Å; E1408-M1411 PolarHBondContact O-N 3.11Å; M1411-A1414 PolarHBondContact O-N 2.59Å; M1411-F1415 WeakPolarHBondContact O-CB 3.4Å; M1411-F1415 PolarHBondContact O-N 3.01Å; M1411-Y1460 HydrophobicContact CG-CD2 3.78Å; M1411-Y1460 HydrophobicContact CG-CE2 4.29Å; M1411-Y1460 HydrophobicContact CG-CG 4.37Å; M1411-Y1460 HydrophobicContact SD-CD2 4.21Å; M1411-Y1460 HydrophobicContact SD-CG 4.3Å; M1411-V1521 HydrophobicContact CE-CG1 3.86Å; M1411-V1521 HydrophobicContact SD-CG1 3.86Å |
| 1412 | T | 86.3 | Confident | 85.1 | Confident | 7 Ų | 7 | 27.6 Ų | 27.6 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.9 | -43.3 | -178.7 | 49.5 | 0 | 0 | 0 | 0 | 111 | E1408 H1409 F1415 Y1416 C1522 | E1408-T1412 PolarHBondContact O-N 2.96Å; E1408-T1412 PolarHBondContact O-OG1 3.01Å; H1409-T1412 WeakPolarHBondContact CA-OG1 3.31Å; H1409-T1412 PolarHBondContact O-N 3.07Å; H1409-T1412 PolarHBondContact O-OG1 3.39Å; H1409-T1412 VanDerWaalsContact O-OG1 3.12Å; T1412-F1415 WeakPolarHBondContact O-CB 3.37Å; T1412-F1415 PolarHBondContact O-N 2.87Å; T1412-Y1416 WeakPolarHBondContact O-CD2 3.32Å; T1412-Y1416 PolarHBondContact O-N 2.84Å; T1412-C1522 HydrophobicContact CG2-CB 3.78Å |
| 1413 | I | 87.4 | Confident | 85.6 | Confident | 24 Ų | 24 | 29.1 Ų | 29.1 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.2 | -37.4 | 179.3 | -71.6 | 170.7 | 0 | 0 | 0 | 111.4 | L144 H1409 F1415 Y1416 I1417 | L144-I1413 HydrophobicContact CB-CD1 3.9Å; L144-I1413 HydrophobicContact CB-CG2 4.41Å; L144-I1413 HydrophobicContact CD1-CB 4.37Å; L144-I1413 HydrophobicContact CD1-CD1 3.7Å; L144-I1413 HydrophobicContact CG-CD1 4.39Å; H1409-I1413 WeakPolarHBondContact O-CB 3.34Å; H1409-I1413 PolarHBondContact O-N 2.85Å; I1413-F1415 VanDerWaalsContact C-N 3.33Å; I1413-F1415 PolarHBondContact O-N 3.3Å; I1413-Y1416 PolarHBondContact O-N 3.25Å; I1413-I1417 HydrophobicContact CG2-CD1 3.89Å; I1413-I1417 HydrophobicContact CG2-CG1 4.42Å; I1413-I1417 VanDerWaalsContact O-CG1 3.27Å; I1413-I1417 WeakPolarHBondContact O-CG1 3.43Å; I1413-I1417 PolarHBondContact O-N 2.92Å |
| 1414 | A | 90.1 | Very high | 86 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1346 I1410 M1411 V1418 I1453 L1457 | L1346-A1414 HydrophobicContact CD2-CB 4.04Å; I1410-A1414 VanDerWaalsContact O-CB 3.24Å; I1410-A1414 WeakPolarHBondContact O-CB 3.41Å; I1410-A1414 PolarHBondContact O-N 2.85Å; M1411-A1414 PolarHBondContact O-N 2.59Å; A1414-V1418 WeakPolarHBondContact O-CG2 3.31Å; A1414-V1418 PolarHBondContact O-N 2.9Å; A1414-V1418 VanDerWaalsContact O-N 3.1Å; A1414-I1453 HydrophobicContact CB-CG2 3.94Å; A1414-L1457 HydrophobicContact CB-CD2 3.96Å |
| 1415 | F | 87.9 | Confident | 86.2 | Confident | 65 Ų | 65 | 29.6 Ų | 29.6 | 29% | 0.285 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.7 | -43.6 | 172.7 | 177.8 | -91.9 | 0 | 0 | 0 | 112 | M1411 T1412 I1413 I1417 V1418 F1419 T1525 F1534 | M1411-F1415 WeakPolarHBondContact O-CB 3.4Å; M1411-F1415 PolarHBondContact O-N 3.01Å; T1412-F1415 WeakPolarHBondContact O-CB 3.37Å; T1412-F1415 PolarHBondContact O-N 2.87Å; I1413-F1415 VanDerWaalsContact C-N 3.33Å; I1413-F1415 PolarHBondContact O-N 3.3Å; F1415-I1417 PolarHBondContact O-N 3.4Å; F1415-V1418 PolarHBondContact O-N 3.41Å; F1415-F1419 HydrophobicContact CE1-CB 4.46Å; F1415-F1419 VanDerWaalsContact O-CB 3.3Å; F1415-F1419 WeakPolarHBondContact O-CB 3.3Å; F1415-F1419 PolarHBondContact O-N 3.42Å; F1415-T1525 HydrophobicContact CD1-CG2 3.86Å; F1415-T1525 HydrophobicContact CE1-CG2 3.61Å; F1415-T1525 HydrophobicContact CZ-CG2 4.23Å; F1415-F1534 HydrophobicContact CE1-CD2 4.08Å; F1415-F1534 HydrophobicContact CE1-CE2 4.13Å; F1415-F1534 HydrophobicContact CZ-CD2 4.49Å |
| 1416 | Y | 87.5 | Confident | 86.5 | Confident | 71 Ų | 71 | 29.7 Ų | 29.7 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 176.2 | -76.1 | -62.6 | 0 | 0 | 0 | 112.5 | T1412 I1413 F1419 T1420 W1524 F1534 | T1412-Y1416 WeakPolarHBondContact O-CD2 3.32Å; T1412-Y1416 PolarHBondContact O-N 2.84Å; I1413-Y1416 PolarHBondContact O-N 3.25Å; Y1416-F1419 PolarHBondContact O-N 2.98Å; Y1416-T1420 WeakPolarHBondContact O-CB 3.34Å; Y1416-T1420 WeakPolarHBondContact O-CG2 3.31Å; Y1416-T1420 PolarHBondContact O-N 3.29Å; Y1416-T1420 PolarHBondContact O-OG1 3.04Å; Y1416-W1524 WeakPolarHBondContact OH-CB 3.37Å; Y1416-F1534 HydrophobicContact CE1-CE2 4.3Å; Y1416-F1534 AromaticContact CE1-CZ 3.88Å; Y1416-F1534 HydrophobicContact CE1-CZ 3.88Å |
| 1417 | I | 88.2 | Confident | 86.4 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62 | -50.2 | 174.6 | -70.2 | 164.7 | 0 | 0 | 0 | 110.3 | C140 I1413 F1415 F1419 T1420 L1421 I1453 | C140-I1417 HydrophobicContact CB-CD1 4.19Å; I1413-I1417 HydrophobicContact CG2-CD1 3.89Å; I1413-I1417 HydrophobicContact CG2-CG1 4.42Å; I1413-I1417 VanDerWaalsContact O-CG1 3.27Å; I1413-I1417 WeakPolarHBondContact O-CG1 3.43Å; I1413-I1417 PolarHBondContact O-N 2.92Å; F1415-I1417 PolarHBondContact O-N 3.4Å; I1417-F1419 VanDerWaalsContact C-N 3.31Å; I1417-F1419 PolarHBondContact O-N 2.94Å; I1417-T1420 PolarHBondContact O-N 2.83Å; I1417-T1420 PolarHBondContact O-OG1 2.85Å; I1417-L1421 HydrophobicContact CG2-CD1 3.67Å; I1417-L1421 HydrophobicContact CG2-CG 4.27Å; I1417-L1421 VanDerWaalsContact O-CB 3.28Å; I1417-L1421 WeakPolarHBondContact O-CB 3.34Å; I1417-L1421 VanDerWaalsContact O-CG 3.31Å; I1417-L1421 WeakPolarHBondContact O-CG 3.24Å; I1417-L1421 PolarHBondContact O-N 2.87Å; I1417-I1453 HydrophobicContact CG2-CD1 3.84Å |
| 1418 | V | 89.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 34.3 Ų | 34.3 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | A1414 F1415 G1422 I1453 L1457 | A1414-V1418 WeakPolarHBondContact O-CG2 3.31Å; A1414-V1418 PolarHBondContact O-N 2.9Å; A1414-V1418 VanDerWaalsContact O-N 3.1Å; F1415-V1418 PolarHBondContact O-N 3.41Å; V1418-G1422 VanDerWaalsContact O-CA 3.28Å; V1418-G1422 WeakPolarHBondContact O-CA 3.42Å; V1418-G1422 PolarHBondContact O-N 3.44Å; V1418-I1453 HydrophobicContact CG2-CB 3.61Å; V1418-I1453 HydrophobicContact CG2-CD1 4.37Å; V1418-I1453 HydrophobicContact CG2-CG2 3.45Å; V1418-I1453 VanDerWaalsContact CG2-CG2 3.45Å; V1418-L1457 HydrophobicContact CB-CD1 4.17Å; V1418-L1457 HydrophobicContact CG2-CD1 3.89Å |
| 1419 | F | 86.4 | Confident | 86.2 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.4 | -46.7 | 177.9 | -176.6 | -99 | 0 | 0 | 0 | 112.4 | F1415 Y1416 I1417 L1423 F1534 V1537 | F1415-F1419 HydrophobicContact CE1-CB 4.46Å; F1415-F1419 VanDerWaalsContact O-CB 3.3Å; F1415-F1419 WeakPolarHBondContact O-CB 3.3Å; F1415-F1419 PolarHBondContact O-N 3.42Å; Y1416-F1419 PolarHBondContact O-N 2.98Å; I1417-F1419 VanDerWaalsContact C-N 3.31Å; I1417-F1419 PolarHBondContact O-N 2.94Å; F1419-L1423 HydrophobicContact CD1-CD1 4.12Å; F1419-L1423 HydrophobicContact CE1-CD1 3.45Å; F1419-L1423 VanDerWaalsContact CE1-CD1 3.45Å; F1419-L1423 HydrophobicContact CE1-CG 4.32Å; F1419-L1423 HydrophobicContact CE2-CD1 4.23Å; F1419-L1423 HydrophobicContact CE2-CG 4.46Å; F1419-L1423 HydrophobicContact CZ-CD1 3.52Å; F1419-L1423 HydrophobicContact CZ-CG 4.21Å; F1419-L1423 WeakPolarHBondContact O-CB 3.44Å; F1419-L1423 WeakPolarHBondContact O-CG 3.43Å; F1419-L1423 PolarHBondContact O-N 3.22Å; F1419-F1534 HydrophobicContact CD1-CD1 4.33Å; F1419-F1534 HydrophobicContact CD1-CE1 4.16Å; F1419-F1534 HydrophobicContact CD2-CD1 4.49Å; F1419-F1534 AromaticContact CE1-CD1 3.62Å; F1419-F1534 HydrophobicContact CE1-CD1 3.62Å; F1419-F1534 AromaticContact CE1-CE1 3.63Å; F1419-F1534 HydrophobicContact CE1-CE1 3.63Å; F1419-F1534 HydrophobicContact CE2-CB 4.16Å; F1419-F1534 AromaticContact CE2-CD1 3.81Å; F1419-F1534 HydrophobicContact CE2-CD1 3.81Å; F1419-F1534 HydrophobicContact CE2-CG 4.18Å; F1419-F1534 HydrophobicContact CZ-CB 4.43Å; F1419-F1534 AromaticContact CZ-CD1 3.32Å; F1419-F1534 HydrophobicContact CZ-CD1 3.32Å; F1419-F1534 AromaticContact CZ-CE1 3.87Å; F1419-F1534 HydrophobicContact CZ-CE1 3.87Å; F1419-F1534 HydrophobicContact CZ-CG 4.14Å; F1419-V1537 HydrophobicContact CZ-CG1 4.22Å |
| 1420 | T | 86.4 | Confident | 86.1 | Confident | 79 Ų | 79 | 35.7 Ų | 35.7 | 49% | 0.485 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.7 | -48.1 | -179.5 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | Y1416 I1417 G1422 L1423 S1424 | Y1416-T1420 WeakPolarHBondContact O-CB 3.34Å; Y1416-T1420 WeakPolarHBondContact O-CG2 3.31Å; Y1416-T1420 PolarHBondContact O-N 3.29Å; Y1416-T1420 PolarHBondContact O-OG1 3.04Å; I1417-T1420 PolarHBondContact O-N 2.83Å; I1417-T1420 PolarHBondContact O-OG1 2.85Å; T1420-G1422 VanDerWaalsContact C-N 3.33Å; T1420-L1423 PolarHBondContact O-N 3.2Å; T1420-S1424 PolarHBondContact O-N 2.73Å |
| 1421 | L | 87.6 | Confident | 85.7 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68 | -34.4 | 176.2 | -61.5 | -177.4 | 0 | 0 | 0 | 112 | I1417 S1424 L1425 I1446 L1449 | I1417-L1421 HydrophobicContact CG2-CD1 3.67Å; I1417-L1421 HydrophobicContact CG2-CG 4.27Å; I1417-L1421 VanDerWaalsContact O-CB 3.28Å; I1417-L1421 WeakPolarHBondContact O-CB 3.34Å; I1417-L1421 VanDerWaalsContact O-CG 3.31Å; I1417-L1421 WeakPolarHBondContact O-CG 3.24Å; I1417-L1421 PolarHBondContact O-N 2.87Å; L1421-S1424 WeakPolarHBondContact CA-OG 3.41Å; L1421-S1424 PolarHBondContact O-N 3.01Å; L1421-S1424 PolarHBondContact O-OG 3.47Å; L1421-L1425 WeakPolarHBondContact O-CB 3.32Å; L1421-L1425 PolarHBondContact O-N 3Å; L1421-I1446 HydrophobicContact CB-CG1 4.5Å; L1421-I1446 HydrophobicContact CB-CG2 4Å; L1421-I1446 HydrophobicContact CD2-CD1 4.12Å; L1421-I1446 HydrophobicContact CD2-CG1 4.21Å; L1421-L1449 HydrophobicContact CD1-CD2 3.89Å |
| 1422 | G | 86.3 | Confident | 84.8 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1418 T1420 S1424 L1425 C1426 | V1418-G1422 VanDerWaalsContact O-CA 3.28Å; V1418-G1422 WeakPolarHBondContact O-CA 3.42Å; V1418-G1422 PolarHBondContact O-N 3.44Å; T1420-G1422 VanDerWaalsContact C-N 3.33Å; G1422-S1424 PolarHBondContact O-N 3.08Å; G1422-L1425 PolarHBondContact O-N 3.22Å; G1422-C1426 PolarHBondContact O-N 2.78Å; G1422-C1426 PolarHBondContact O-SG 2.95Å |
| 1423 | L | 86.5 | Confident | 83.8 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -37.3 | 175.1 | -73.4 | -176.2 | 0 | 0 | 0 | 112.9 | F1419 T1420 C1426 A1427 V1537 C1541 | F1419-L1423 HydrophobicContact CD1-CD1 4.12Å; F1419-L1423 HydrophobicContact CE1-CD1 3.45Å; F1419-L1423 VanDerWaalsContact CE1-CD1 3.45Å; F1419-L1423 HydrophobicContact CE1-CG 4.32Å; F1419-L1423 HydrophobicContact CE2-CD1 4.23Å; F1419-L1423 HydrophobicContact CE2-CG 4.46Å; F1419-L1423 HydrophobicContact CZ-CD1 3.52Å; F1419-L1423 HydrophobicContact CZ-CG 4.21Å; F1419-L1423 WeakPolarHBondContact O-CB 3.44Å; F1419-L1423 WeakPolarHBondContact O-CG 3.43Å; F1419-L1423 PolarHBondContact O-N 3.22Å; T1420-L1423 PolarHBondContact O-N 3.2Å; L1423-C1426 PolarHBondContact O-N 2.71Å; L1423-A1427 VanDerWaalsContact O-CB 3.27Å; L1423-A1427 WeakPolarHBondContact O-CB 3.45Å; L1423-A1427 PolarHBondContact O-N 3.35Å; L1423-V1537 HydrophobicContact CD1-CG1 3.9Å; L1423-V1537 HydrophobicContact CD2-CG1 3.98Å; L1423-C1541 HydrophobicContact CD2-CB 4.16Å |
| 1424 | S | 84.6 | Confident | 82.7 | Confident | 41 Ų | 41 | 53.3 Ų | 53.3 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69 | -33.4 | 177.1 | 67.8 | 0 | 0 | 0 | 0 | 112.8 | T1420 L1421 G1422 Q1428 | T1420-S1424 PolarHBondContact O-N 2.73Å; L1421-S1424 WeakPolarHBondContact CA-OG 3.41Å; L1421-S1424 PolarHBondContact O-N 3.01Å; L1421-S1424 PolarHBondContact O-OG 3.47Å; G1422-S1424 PolarHBondContact O-N 3.08Å; S1424-Q1428 WeakPolarHBondContact O-CG 3.45Å; S1424-Q1428 PolarHBondContact O-N 3.29Å; S1424-Q1428 VanDerWaalsContact O-N 3.12Å; S1424-Q1428 PolarHBondContact O-NE2 2.7Å; S1424-Q1428 VanDerWaalsContact O-NE2 3.1Å |
| 1425 | L | 85 | Confident | 81.3 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -47 | 171.2 | -177.5 | 66.1 | 0 | 0 | 0 | 110.7 | L1421 G1422 A1427 Q1428 L1429 N1443 I1446 L1447 | L1421-L1425 WeakPolarHBondContact O-CB 3.32Å; L1421-L1425 PolarHBondContact O-N 3Å; G1422-L1425 PolarHBondContact O-N 3.22Å; L1425-A1427 VanDerWaalsContact C-N 3.33Å; L1425-A1427 PolarHBondContact O-N 3.07Å; L1425-Q1428 PolarHBondContact O-N 3Å; L1425-L1429 HydrophobicContact CG-CD1 4.07Å; L1425-L1429 WeakPolarHBondContact O-CB 3.43Å; L1425-L1429 WeakPolarHBondContact O-CG 3.48Å; L1425-L1429 PolarHBondContact O-N 2.78Å; L1425-N1443 HydrophobicContact CD1-CB 3.99Å; L1425-N1443 WeakPolarHBondContact CD1-OD1 3.24Å; L1425-I1446 HydrophobicContact CB-CG2 4.02Å; L1425-I1446 HydrophobicContact CD2-CG2 4.43Å; L1425-L1447 HydrophobicContact CD2-CB 4.5Å; L1425-L1447 HydrophobicContact CD2-CD1 4.15Å |
| 1426 | C | 83 | Confident | 80.3 | Confident | 24 Ų | 24 | 57 Ų | 57 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 177.8 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | G1422 L1423 L1430 C1541 L1545 | G1422-C1426 PolarHBondContact O-N 2.78Å; G1422-C1426 PolarHBondContact O-SG 2.95Å; L1423-C1426 PolarHBondContact O-N 2.71Å; C1426-L1430 WeakPolarHBondContact O-CB 3.18Å; C1426-L1430 PolarHBondContact O-N 2.91Å; C1426-C1541 WeakPolarHBondContact CB-SG 3.26Å; C1426-L1545 HydrophobicContact CB-CD1 3.65Å; C1426-L1545 HydrophobicContact CB-CG 4.48Å; C1426-L1545 VanDerWaalsContact SG-CD1 3.5Å |
| 1427 | A | 82.9 | Confident | 79.4 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1423 L1425 L1430 S1431 | L1423-A1427 VanDerWaalsContact O-CB 3.27Å; L1423-A1427 WeakPolarHBondContact O-CB 3.45Å; L1423-A1427 PolarHBondContact O-N 3.35Å; L1425-A1427 VanDerWaalsContact C-N 3.33Å; L1425-A1427 PolarHBondContact O-N 3.07Å; A1427-L1430 PolarHBondContact O-N 3.48Å; A1427-S1431 WeakPolarHBondContact O-CB 3.5Å; A1427-S1431 PolarHBondContact O-N 2.95Å; A1427-S1431 PolarHBondContact O-OG 3.34Å |
| 1428 | Q | 83.9 | Confident | 78.7 | Confident | 52 Ų | 52 | 56.8 Ų | 56.8 | 24% | 0.243 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.4 | -36.4 | 175 | -75.3 | 175.7 | 82.3 | 0 | 0 | 112.9 | S1424 L1425 L1430 S1431 K1432 V1437 N1443 | S1424-Q1428 WeakPolarHBondContact O-CG 3.45Å; S1424-Q1428 PolarHBondContact O-N 3.29Å; S1424-Q1428 VanDerWaalsContact O-N 3.12Å; S1424-Q1428 PolarHBondContact O-NE2 2.7Å; S1424-Q1428 VanDerWaalsContact O-NE2 3.1Å; L1425-Q1428 PolarHBondContact O-N 3Å; Q1428-L1430 PolarHBondContact O-N 2.91Å; Q1428-S1431 PolarHBondContact O-N 3Å; Q1428-K1432 PolarHBondContact O-N 3.03Å; Q1428-V1437 HydrophobicContact CB-CG1 4.29Å; Q1428-V1437 WeakPolarHBondContact O-CG2 3.35Å; Q1428-N1443 VanDerWaalsContact CD-OD1 3.24Å; Q1428-N1443 PolarHBondContact NE2-OD1 2.98Å; Q1428-N1443 PolarHBondContact OE1-ND2 2.79Å; Q1428-N1443 PolarHBondContact OE1-OD1 3.02Å; Q1428-N1443 VanDerWaalsContact OE1-OD1 3.14Å |
| 1429 | L | 81.2 | Confident | 77.8 | Confident | 41 Ų | 41 | 59.3 Ų | 59.3 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -24 | 173.9 | -77.1 | 167.3 | 0 | 0 | 0 | 113.5 | L1425 V1437 F1438 L1545 | L1425-L1429 HydrophobicContact CG-CD1 4.07Å; L1425-L1429 WeakPolarHBondContact O-CB 3.43Å; L1425-L1429 WeakPolarHBondContact O-CG 3.48Å; L1425-L1429 PolarHBondContact O-N 2.78Å; L1429-V1437 HydrophobicContact CD2-CB 4.36Å; L1429-V1437 HydrophobicContact CD2-CG1 3.92Å; L1429-V1437 HydrophobicContact CD2-CG2 4.46Å; L1429-V1437 HydrophobicContact CG-CG1 4.21Å; L1429-F1438 HydrophobicContact CD2-CE2 4.5Å; L1429-F1438 HydrophobicContact CD2-CZ 4.37Å; L1429-L1545 HydrophobicContact CB-CD2 3.56Å; L1429-L1545 HydrophobicContact CD1-CD2 4.44Å |
| 1430 | L | 80.5 | Confident | 77.2 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -96.5 | -24.3 | 178.9 | -179.2 | 64.1 | 0 | 0 | 0 | 113.1 | C1426 A1427 Q1428 E1548 | C1426-L1430 WeakPolarHBondContact O-CB 3.18Å; C1426-L1430 PolarHBondContact O-N 2.91Å; A1427-L1430 PolarHBondContact O-N 3.48Å; Q1428-L1430 PolarHBondContact O-N 2.91Å; L1430-E1548 WeakPolarHBondContact CD1-OE2 3.28Å |
| 1431 | S | 81.1 | Confident | 76.9 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -95.1 | -20.3 | -176.7 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | A1427 Q1428 | A1427-S1431 WeakPolarHBondContact O-CB 3.5Å; A1427-S1431 PolarHBondContact O-N 2.95Å; A1427-S1431 PolarHBondContact O-OG 3.34Å; Q1428-S1431 PolarHBondContact O-N 3Å |
| 1432 | K | 67.9 | Low | 76.5 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 34% | 0.335 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -122.9 | 138.2 | -177.4 | -119.8 | -172.1 | 158.9 | -167.1 | 0 | 110.2 | Q1428 R1434 S1436 V1437 H1440 | Q1428-K1432 PolarHBondContact O-N 3.03Å; K1432-R1434 PolarHBondContact O-N 3.5Å; K1432-S1436 WeakPolarHBondContact CD-O 3.31Å; K1432-S1436 VanDerWaalsContact CD-OG 3.28Å; K1432-S1436 WeakPolarHBondContact CD-OG 3.19Å; K1432-S1436 WeakPolarHBondContact CE-OG 3.25Å; K1432-S1436 VanDerWaalsContact CG-OG 3.23Å; K1432-S1436 WeakPolarHBondContact CG-OG 3.25Å; K1432-S1436 PolarHBondContact NZ-O 2.91Å; K1432-V1437 HydrophobicContact CB-CG2 3.7Å; K1432-V1437 WeakPolarHBondContact O-CG2 3.35Å; K1432-H1440 PolarHBondContact NZ-CD2 3.35Å; K1432-H1440 VanDerWaalsContact NZ-CD2 3.32Å; K1432-H1440 PolarHBondContact NZ-NE2 2.82Å |
| 1433 | S | 66.4 | Low | 76.3 | Confident | 91 Ų | 91 | 56 Ų | 56 | 64% | 0.636 | 31% | 0.306 | S | S | * | . | trans | -49.6 | 132.1 | 171.8 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | M1435 S1436 | S1433-M1435 PolarHBondContact O-N 2.67Å; S1433-S1436 WeakPolarHBondContact O-CB 3.23Å; S1433-S1436 PolarHBondContact O-N 2.98Å; S1433-S1436 PolarHBondContact O-OG 2.72Å | ||
| 1434 | R | 63.6 | Low | 76.1 | Confident | 145 Ų | 145 | 57.5 Ų | 57.5 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -45.2 | -37 | -169.1 | -67.5 | -174.3 | -76.8 | -167.6 | -7.1 | 114.4 | K1432 S1436 F1438 | K1432-R1434 PolarHBondContact O-N 3.5Å; R1434-S1436 VanDerWaalsContact C-N 3.29Å; R1434-S1436 PolarHBondContact O-N 2.8Å; R1434-F1438 WeakPolarHBondContact O-CD2 3.45Å |
| 1435 | M | 60.7 | Low | 76.2 | Confident | 121 Ų | 121 | 55.6 Ų | 55.6 | 60% | 0.596 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -58 | -38.3 | 176.6 | -128.4 | 66 | 134.9 | 0 | 0 | 113.5 | Q589 S1433 T1439 | Q589-M1435 HydrophobicContact CG-CE 3.69Å; Q589-M1435 HydrophobicContact CG-SD 4.36Å; Q589-M1435 PolarHBondContact NE2-SD 3.48Å; S1433-M1435 PolarHBondContact O-N 2.67Å; M1435-T1439 PolarHBondContact O-OG1 2.73Å |
| 1436 | S | 67 | Low | 76.3 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -92 | -4.6 | -167.9 | 70.3 | 0 | 0 | 0 | 0 | 114.8 | K1432 S1433 R1434 T1439 | K1432-S1436 WeakPolarHBondContact CD-O 3.31Å; K1432-S1436 VanDerWaalsContact CD-OG 3.28Å; K1432-S1436 WeakPolarHBondContact CD-OG 3.19Å; K1432-S1436 WeakPolarHBondContact CE-OG 3.25Å; K1432-S1436 VanDerWaalsContact CG-OG 3.23Å; K1432-S1436 WeakPolarHBondContact CG-OG 3.25Å; K1432-S1436 PolarHBondContact NZ-O 2.91Å; S1433-S1436 WeakPolarHBondContact O-CB 3.23Å; S1433-S1436 PolarHBondContact O-N 2.98Å; S1433-S1436 PolarHBondContact O-OG 2.72Å; R1434-S1436 VanDerWaalsContact C-N 3.29Å; R1434-S1436 PolarHBondContact O-N 2.8Å; S1436-T1439 WeakPolarHBondContact CA-OG1 2.89Å; S1436-T1439 PolarHBondContact O-OG1 3.17Å |
| 1437 | V | 68.2 | Low | 76.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -45.1 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | Q1428 L1429 K1432 T1439 H1440 N1443 | Q1428-V1437 HydrophobicContact CB-CG1 4.29Å; Q1428-V1437 WeakPolarHBondContact O-CG2 3.35Å; L1429-V1437 HydrophobicContact CD2-CB 4.36Å; L1429-V1437 HydrophobicContact CD2-CG1 3.92Å; L1429-V1437 HydrophobicContact CD2-CG2 4.46Å; L1429-V1437 HydrophobicContact CG-CG1 4.21Å; K1432-V1437 HydrophobicContact CB-CG2 3.7Å; K1432-V1437 WeakPolarHBondContact O-CG2 3.35Å; V1437-T1439 PolarHBondContact O-N 3.21Å; V1437-H1440 PolarHBondContact O-N 2.96Å; V1437-N1443 WeakPolarHBondContact CG1-ND2 3.46Å; V1437-N1443 PolarHBondContact O-ND2 3.36Å |
| 1438 | F | 73.5 | Confident | 76.6 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 37% | 0.373 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.8 | 177.2 | -61.8 | -74.8 | 0 | 0 | 0 | 113.5 | L1429 R1434 H1440 W1444 | L1429-F1438 HydrophobicContact CD2-CE2 4.5Å; L1429-F1438 HydrophobicContact CD2-CZ 4.37Å; R1434-F1438 WeakPolarHBondContact O-CD2 3.45Å; F1438-H1440 VanDerWaalsContact C-N 3.25Å; F1438-H1440 PolarHBondContact O-N 3.22Å; F1438-W1444 HydrophobicContact CB-CZ2 4.36Å; F1438-W1444 AromaticContact CD1-CZ2 3.96Å; F1438-W1444 HydrophobicContact CD1-CZ2 3.96Å; F1438-W1444 PolarHBondContact O-NE1 2.91Å |
| 1439 | T | 70.3 | Confident | 76.9 | Confident | 80 Ų | 80 | 53 Ų | 53 | 49% | 0.491 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5 | 170.1 | -29 | 0 | 0 | 0 | 0 | 113.3 | F1201 M1435 S1436 V1437 | F1201-T1439 VanDerWaalsContact CZ-O 3.29Å; F1201-T1439 WeakPolarHBondContact CZ-O 3.38Å; M1435-T1439 PolarHBondContact O-OG1 2.73Å; S1436-T1439 WeakPolarHBondContact CA-OG1 2.89Å; S1436-T1439 PolarHBondContact O-OG1 3.17Å; V1437-T1439 PolarHBondContact O-N 3.21Å |
| 1440 | H | 74.7 | Confident | 77.4 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | trans | -105.2 | 128 | 173.3 | -74.8 | -86.3 | 0 | 0 | 0 | 111.5 | D129 K1432 V1437 F1438 T1442 N1443 | D129-H1440 IonicContact OD2-ND1 2.91Å; D129-H1440 PolarHBondContact OD2-ND1 3.38Å; K1432-H1440 PolarHBondContact NZ-CD2 3.35Å; K1432-H1440 VanDerWaalsContact NZ-CD2 3.32Å; K1432-H1440 PolarHBondContact NZ-NE2 2.82Å; V1437-H1440 PolarHBondContact O-N 2.96Å; F1438-H1440 VanDerWaalsContact C-N 3.25Å; F1438-H1440 PolarHBondContact O-N 3.22Å; H1440-T1442 VanDerWaalsContact C-N 3.26Å; H1440-T1442 PolarHBondContact O-N 2.79Å; H1440-N1443 PolarHBondContact O-N 2.83Å; H1440-N1443 VanDerWaalsContact O-N 3.07Å | ||
| 1441 | L | 79.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60 | -36.6 | 175.4 | 176.5 | 49.5 | 0 | 0 | 0 | 112.2 | D130 F1201 R1335 N1443 W1444 D1445 | D130-L1441 VanDerWaalsContact OD1-CD2 3.25Å; D130-L1441 WeakPolarHBondContact OD1-CD2 3.13Å; F1201-L1441 HydrophobicContact CB-CD1 3.91Å; F1201-L1441 HydrophobicContact CD1-CB 3.74Å; F1201-L1441 HydrophobicContact CD1-CD1 4.34Å; F1201-L1441 HydrophobicContact CD1-CD2 4.05Å; F1201-L1441 HydrophobicContact CD1-CG 4.26Å; F1201-L1441 HydrophobicContact CD2-CB 4.47Å; F1201-L1441 HydrophobicContact CE1-CB 3.89Å; F1201-L1441 HydrophobicContact CG-CB 4.07Å; F1201-L1441 HydrophobicContact CG-CD1 4.04Å; F1201-L1441 HydrophobicContact CG-CG 4.43Å; F1201-L1441 HydrophobicContact CZ-CB 4.32Å; R1335-L1441 VanDerWaalsContact NH2-CD2 3.34Å; L1441-N1443 PolarHBondContact O-N 3.13Å; L1441-N1443 VanDerWaalsContact O-N 3.12Å; L1441-W1444 PolarHBondContact O-N 3.24Å; L1441-D1445 PolarHBondContact O-N 3.08Å |
| 1442 | T | 78.9 | Confident | 78.2 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.4 | -38.4 | 173.1 | -76.6 | 0 | 0 | 0 | 0 | 112.4 | D129 H1440 I1446 | D129-T1442 WeakPolarHBondContact CB-OG1 3.4Å; D129-T1442 WeakPolarHBondContact OD1-CB 3.29Å; D129-T1442 PolarHBondContact OD1-OG1 2.88Å; H1440-T1442 VanDerWaalsContact C-N 3.26Å; H1440-T1442 PolarHBondContact O-N 2.79Å; T1442-I1446 HydrophobicContact CG2-CD1 3.54Å; T1442-I1446 HydrophobicContact CG2-CG1 4.18Å; T1442-I1446 WeakPolarHBondContact O-CB 3.37Å; T1442-I1446 WeakPolarHBondContact O-CG1 3.22Å; T1442-I1446 PolarHBondContact O-N 3.37Å |
| 1443 | N | 82.7 | Confident | 79.4 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -74 | -33.7 | -178.7 | -71.5 | -42 | 0 | 0 | 0 | 113.1 | L1425 Q1428 V1437 H1440 L1441 L1447 | L1425-N1443 HydrophobicContact CD1-CB 3.99Å; L1425-N1443 WeakPolarHBondContact CD1-OD1 3.24Å; Q1428-N1443 VanDerWaalsContact CD-OD1 3.24Å; Q1428-N1443 PolarHBondContact NE2-OD1 2.98Å; Q1428-N1443 PolarHBondContact OE1-ND2 2.79Å; Q1428-N1443 PolarHBondContact OE1-OD1 3.02Å; Q1428-N1443 VanDerWaalsContact OE1-OD1 3.14Å; V1437-N1443 WeakPolarHBondContact CG1-ND2 3.46Å; V1437-N1443 PolarHBondContact O-ND2 3.36Å; H1440-N1443 PolarHBondContact O-N 2.83Å; H1440-N1443 VanDerWaalsContact O-N 3.07Å; L1441-N1443 PolarHBondContact O-N 3.13Å; L1441-N1443 VanDerWaalsContact O-N 3.12Å; N1443-L1447 WeakPolarHBondContact O-CB 3.15Å; N1443-L1447 PolarHBondContact O-N 2.93Å |
| 1444 | W | 82.4 | Confident | 80.6 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 30% | 0.295 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.8 | -44.3 | 173.2 | -74.2 | 101.7 | 0 | 0 | 0 | 112.2 | L582 I1197 F1438 L1441 L1447 G1448 | L582-W1444 HydrophobicContact CD2-CH2 3.93Å; L582-W1444 HydrophobicContact CD2-CZ3 4.16Å; I1197-W1444 HydrophobicContact CG2-CB 3.8Å; F1438-W1444 HydrophobicContact CB-CZ2 4.36Å; F1438-W1444 AromaticContact CD1-CZ2 3.96Å; F1438-W1444 HydrophobicContact CD1-CZ2 3.96Å; F1438-W1444 PolarHBondContact O-NE1 2.91Å; L1441-W1444 PolarHBondContact O-N 3.24Å; W1444-L1447 PolarHBondContact O-N 2.89Å; W1444-G1448 PolarHBondContact O-N 3.38Å |
| 1445 | D | 85.8 | Confident | 82 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.5 | -74.4 | -12.8 | 0 | 0 | 0 | 111.2 | L133 S1198 R1335 L1441 L1449 | L133-D1445 HydrophobicContact CD2-CB 3.34Å; S1198-D1445 PolarHBondContact OG-OD1 3.08Å; R1335-D1445 IonicContact CZ-OD2 2.75Å; R1335-D1445 IonicContact NE-OD2 2.7Å; R1335-D1445 PolarHBondContact NE-OD2 3.45Å; R1335-D1445 IonicContact NH2-OD2 2.59Å; R1335-D1445 PolarHBondContact NH2-OD2 3.24Å; L1441-D1445 PolarHBondContact O-N 3.08Å; D1445-L1449 WeakPolarHBondContact O-CB 3.24Å; D1445-L1449 PolarHBondContact O-N 3.03Å |
| 1446 | I | 87.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 174.4 | -77 | 176.9 | 0 | 0 | 0 | 110.8 | L1421 L1425 T1442 G1448 L1449 C1450 | L1421-I1446 HydrophobicContact CB-CG1 4.5Å; L1421-I1446 HydrophobicContact CB-CG2 4Å; L1421-I1446 HydrophobicContact CD2-CD1 4.12Å; L1421-I1446 HydrophobicContact CD2-CG1 4.21Å; L1425-I1446 HydrophobicContact CB-CG2 4.02Å; L1425-I1446 HydrophobicContact CD2-CG2 4.43Å; T1442-I1446 HydrophobicContact CG2-CD1 3.54Å; T1442-I1446 HydrophobicContact CG2-CG1 4.18Å; T1442-I1446 WeakPolarHBondContact O-CB 3.37Å; T1442-I1446 WeakPolarHBondContact O-CG1 3.22Å; T1442-I1446 PolarHBondContact O-N 3.37Å; I1446-G1448 PolarHBondContact O-N 2.75Å; I1446-L1449 PolarHBondContact O-N 2.9Å; I1446-C1450 WeakPolarHBondContact O-CB 3.44Å; I1446-C1450 PolarHBondContact O-N 2.96Å; I1446-C1450 PolarHBondContact O-SG 3.36Å; I1446-C1450 VanDerWaalsContact O-SG 3.41Å |
| 1447 | L | 86.6 | Confident | 84.6 | Confident | 76 Ų | 76 | 32.1 Ų | 32.1 | 40% | 0.398 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.1 | -46.8 | -179.3 | 179.6 | 62.7 | 0 | 0 | 0 | 111.1 | L1425 N1443 W1444 F1451 | L1425-L1447 HydrophobicContact CD2-CB 4.5Å; L1425-L1447 HydrophobicContact CD2-CD1 4.15Å; N1443-L1447 WeakPolarHBondContact O-CB 3.15Å; N1443-L1447 PolarHBondContact O-N 2.93Å; W1444-L1447 PolarHBondContact O-N 2.89Å; L1447-F1451 VanDerWaalsContact O-CB 3.28Å; L1447-F1451 WeakPolarHBondContact O-CB 3.12Å; L1447-F1451 PolarHBondContact O-N 2.62Å |
| 1448 | G | 87.1 | Confident | 85.6 | Confident | 15 Ų | 15 | 39 Ų | 39 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1444 I1446 G1452 | W1444-G1448 PolarHBondContact O-N 3.38Å; I1446-G1448 PolarHBondContact O-N 2.75Å; G1448-G1452 PolarHBondContact O-N 3.2Å |
| 1449 | L | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.3 | -46.6 | 178 | -175.5 | 63.6 | 0 | 0 | 0 | 111.9 | L137 Y1339 F1343 L1421 D1445 I1446 F1451 G1452 I1453 | L137-L1449 HydrophobicContact CD1-CD2 3.71Å; L137-L1449 HydrophobicContact CD2-CD2 3.78Å; L137-L1449 HydrophobicContact CG-CD2 4.4Å; Y1339-L1449 HydrophobicContact CD1-CD1 3.97Å; Y1339-L1449 HydrophobicContact CE1-CD1 4.22Å; Y1339-L1449 HydrophobicContact CE1-CD2 4.19Å; F1343-L1449 HydrophobicContact CE2-CD1 4.25Å; F1343-L1449 HydrophobicContact CZ-CD1 4.45Å; L1421-L1449 HydrophobicContact CD1-CD2 3.89Å; D1445-L1449 WeakPolarHBondContact O-CB 3.24Å; D1445-L1449 PolarHBondContact O-N 3.03Å; I1446-L1449 PolarHBondContact O-N 2.9Å; L1449-F1451 VanDerWaalsContact C-N 3.33Å; L1449-F1451 PolarHBondContact O-N 2.76Å; L1449-G1452 PolarHBondContact O-N 2.85Å; L1449-I1453 HydrophobicContact CD1-CD1 3.83Å; L1449-I1453 HydrophobicContact CD1-CG1 4.15Å; L1449-I1453 HydrophobicContact CD2-CD1 4.48Å; L1449-I1453 HydrophobicContact CG-CD1 3.79Å; L1449-I1453 HydrophobicContact CG-CG1 4.43Å; L1449-I1453 VanDerWaalsContact O-CG1 3.31Å; L1449-I1453 WeakPolarHBondContact O-CG1 3.28Å; L1449-I1453 PolarHBondContact O-N 2.81Å |
| 1450 | C | 90.3 | Very high | 87.4 | Confident | 13 Ų | 13 | 34 Ų | 34 | 9% | 0.088 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 176.5 | -79 | 0 | 0 | 0 | 0 | 111.8 | I1446 T1454 | I1446-C1450 WeakPolarHBondContact O-CB 3.44Å; I1446-C1450 PolarHBondContact O-N 2.96Å; I1446-C1450 PolarHBondContact O-SG 3.36Å; I1446-C1450 VanDerWaalsContact O-SG 3.41Å; C1450-T1454 WeakPolarHBondContact O-CB 3.38Å; C1450-T1454 PolarHBondContact O-N 2.68Å; C1450-T1454 PolarHBondContact O-OG1 2.98Å |
| 1451 | F | 89.3 | Confident | 87.9 | Confident | 105 Ų | 105 | 34.9 Ų | 34.9 | 46% | 0.461 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.5 | -52.1 | 174 | -178.2 | -98.6 | 0 | 0 | 0 | 111.2 | F574 L1447 L1449 I1453 T1454 V1455 | F574-F1451 AromaticContact CE1-CE1 3.96Å; F574-F1451 HydrophobicContact CE1-CE1 3.96Å; F574-F1451 AromaticContact CE1-CZ 3.75Å; F574-F1451 HydrophobicContact CE1-CZ 3.75Å; F574-F1451 HydrophobicContact CZ-CE1 4.45Å; F574-F1451 HydrophobicContact CZ-CZ 4.06Å; L1447-F1451 VanDerWaalsContact O-CB 3.28Å; L1447-F1451 WeakPolarHBondContact O-CB 3.12Å; L1447-F1451 PolarHBondContact O-N 2.62Å; L1449-F1451 VanDerWaalsContact C-N 3.33Å; L1449-F1451 PolarHBondContact O-N 2.76Å; F1451-I1453 PolarHBondContact O-N 3.38Å; F1451-T1454 PolarHBondContact O-N 2.83Å; F1451-V1455 HydrophobicContact CE1-CG2 4.27Å; F1451-V1455 HydrophobicContact CZ-CG2 4.3Å; F1451-V1455 PolarHBondContact O-N 3.18Å; F1451-V1455 VanDerWaalsContact O-N 3.16Å |
| 1452 | G | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1448 L1449 F1456 | G1448-G1452 PolarHBondContact O-N 3.2Å; L1449-G1452 PolarHBondContact O-N 2.85Å; G1452-F1456 WeakPolarHBondContact O-CD2 3.36Å |
| 1453 | I | 92.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.6 | -38.5 | 177.1 | -59.4 | 171 | 0 | 0 | 0 | 111 | V1342 L1346 A1414 I1417 V1418 L1449 F1451 V1455 F1456 L1457 | V1342-I1453 HydrophobicContact CG1-CD1 4.18Å; V1342-I1453 HydrophobicContact CG1-CG1 4.3Å; L1346-I1453 HydrophobicContact CD1-CG1 4.1Å; L1346-I1453 HydrophobicContact CD1-CG2 4.36Å; A1414-I1453 HydrophobicContact CB-CG2 3.94Å; I1417-I1453 HydrophobicContact CG2-CD1 3.84Å; V1418-I1453 HydrophobicContact CG2-CB 3.61Å; V1418-I1453 HydrophobicContact CG2-CD1 4.37Å; V1418-I1453 HydrophobicContact CG2-CG2 3.45Å; V1418-I1453 VanDerWaalsContact CG2-CG2 3.45Å; L1449-I1453 HydrophobicContact CD1-CD1 3.83Å; L1449-I1453 HydrophobicContact CD1-CG1 4.15Å; L1449-I1453 HydrophobicContact CD2-CD1 4.48Å; L1449-I1453 HydrophobicContact CG-CD1 3.79Å; L1449-I1453 HydrophobicContact CG-CG1 4.43Å; L1449-I1453 VanDerWaalsContact O-CG1 3.31Å; L1449-I1453 WeakPolarHBondContact O-CG1 3.28Å; L1449-I1453 PolarHBondContact O-N 2.81Å; F1451-I1453 PolarHBondContact O-N 3.38Å; I1453-V1455 VanDerWaalsContact C-N 3.31Å; I1453-V1455 PolarHBondContact O-N 3.39Å; I1453-F1456 WeakPolarHBondContact O-CB 3.17Å; I1453-F1456 PolarHBondContact O-N 3.23Å; I1453-L1457 HydrophobicContact CG2-CD1 4.01Å; I1453-L1457 HydrophobicContact CG2-CG 4.07Å; I1453-L1457 PolarHBondContact O-N 3.39Å |
| 1454 | T | 90.9 | Very high | 88.9 | Confident | 64 Ų | 64 | 36.8 Ų | 36.8 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 178.9 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | C1450 F1451 F1456 L1457 Y1458 | C1450-T1454 WeakPolarHBondContact O-CB 3.38Å; C1450-T1454 PolarHBondContact O-N 2.68Å; C1450-T1454 PolarHBondContact O-OG1 2.98Å; F1451-T1454 PolarHBondContact O-N 2.83Å; T1454-F1456 VanDerWaalsContact C-N 3.29Å; T1454-F1456 PolarHBondContact O-N 3.48Å; T1454-L1457 PolarHBondContact O-N 3.37Å; T1454-Y1458 WeakPolarHBondContact O-CB 3.32Å; T1454-Y1458 PolarHBondContact O-N 3.37Å |
| 1455 | V | 92.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 35.9 Ų | 35.9 | 26% | 0.255 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.3 | -40.4 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | Y1183 F1186 F1451 I1453 R1459 | Y1183-V1455 HydrophobicContact CE1-CG1 4.38Å; F1186-V1455 HydrophobicContact CD1-CG1 4.49Å; F1186-V1455 HydrophobicContact CE1-CB 4.13Å; F1186-V1455 HydrophobicContact CE1-CG1 3.85Å; F1186-V1455 HydrophobicContact CZ-CB 4.16Å; F1186-V1455 HydrophobicContact CZ-CG1 4.02Å; F1186-V1455 HydrophobicContact CZ-CG2 4.29Å; F1451-V1455 HydrophobicContact CE1-CG2 4.27Å; F1451-V1455 HydrophobicContact CZ-CG2 4.3Å; F1451-V1455 PolarHBondContact O-N 3.18Å; F1451-V1455 VanDerWaalsContact O-N 3.16Å; I1453-V1455 VanDerWaalsContact C-N 3.31Å; I1453-V1455 PolarHBondContact O-N 3.39Å; V1455-R1459 WeakPolarHBondContact O-CB 3.33Å; V1455-R1459 PolarHBondContact O-N 3.12Å |
| 1456 | F | 92.2 | Very high | 89 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.7 | -43.4 | 174.8 | -83.2 | -83.2 | 0 | 0 | 0 | 112.8 | Y1183 F1186 A1187 F1343 L1346 E1350 G1452 I1453 T1454 Y1458 R1459 Y1460 | Y1183-F1456 HydrophobicContact CD1-CD1 4.18Å; Y1183-F1456 AromaticContact CD1-CE1 3.8Å; Y1183-F1456 HydrophobicContact CD1-CE1 3.8Å; Y1183-F1456 HydrophobicContact CD1-CZ 4.13Å; Y1183-F1456 HydrophobicContact CG-CE1 4.33Å; F1186-F1456 HydrophobicContact CD1-CD2 4.4Å; F1186-F1456 AromaticContact CD1-CE2 3.59Å; F1186-F1456 HydrophobicContact CD1-CE2 3.59Å; F1186-F1456 HydrophobicContact CD1-CZ 4.08Å; F1186-F1456 HydrophobicContact CE1-CD2 4.14Å; F1186-F1456 AromaticContact CE1-CE2 3.72Å; F1186-F1456 HydrophobicContact CE1-CE2 3.72Å; A1187-F1456 HydrophobicContact CB-CZ 4.16Å; F1343-F1456 HydrophobicContact CD1-CD2 4.25Å; F1343-F1456 AromaticContact CD1-CE2 3.8Å; F1343-F1456 HydrophobicContact CD1-CE2 3.8Å; F1343-F1456 HydrophobicContact CE1-CD2 4.32Å; F1343-F1456 HydrophobicContact CE1-CE2 4.18Å; L1346-F1456 HydrophobicContact CB-CB 4.43Å; L1346-F1456 HydrophobicContact CB-CD1 3.89Å; L1346-F1456 HydrophobicContact CB-CD2 4.22Å; L1346-F1456 HydrophobicContact CB-CE1 4.15Å; L1346-F1456 HydrophobicContact CB-CE2 4.48Å; L1346-F1456 HydrophobicContact CB-CG 3.93Å; L1346-F1456 HydrophobicContact CB-CZ 4.45Å; L1346-F1456 HydrophobicContact CD1-CB 4.25Å; L1346-F1456 HydrophobicContact CD1-CD2 4.03Å; L1346-F1456 HydrophobicContact CD1-CG 4.19Å; L1346-F1456 HydrophobicContact CD2-CB 4.21Å; L1346-F1456 HydrophobicContact CG-CG 4.47Å; E1350-F1456 HydrophobicContact CB-CD1 4.36Å; E1350-F1456 HydrophobicContact CB-CE1 4.27Å; E1350-F1456 HydrophobicContact CG-CD1 4.38Å; E1350-F1456 HydrophobicContact CG-CE1 4.37Å; G1452-F1456 WeakPolarHBondContact O-CD2 3.36Å; I1453-F1456 WeakPolarHBondContact O-CB 3.17Å; I1453-F1456 PolarHBondContact O-N 3.23Å; T1454-F1456 VanDerWaalsContact C-N 3.29Å; T1454-F1456 PolarHBondContact O-N 3.48Å; F1456-Y1458 PolarHBondContact O-N 2.91Å; F1456-R1459 WeakPolarHBondContact O-CB 3.47Å; F1456-R1459 PolarHBondContact O-N 2.97Å; F1456-Y1460 HydrophobicContact CB-CE2 4.16Å; F1456-Y1460 HydrophobicContact CD1-CE1 4.28Å; F1456-Y1460 WeakPolarHBondContact CD1-OH 3.4Å; F1456-Y1460 WeakPolarHBondContact O-CD1 3.16Å; F1456-Y1460 WeakPolarHBondContact O-CD2 3.37Å; F1456-Y1460 VanDerWaalsContact O-CG 3.23Å; F1456-Y1460 PolarHBondContact O-N 3.27Å |
| 1457 | L | 90.8 | Very high | 88.9 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.115 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.6 | -69.7 | 175.3 | 0 | 0 | 0 | 111.9 | A1414 V1418 I1453 T1454 R1459 Y1460 I1461 | A1414-L1457 HydrophobicContact CB-CD2 3.96Å; V1418-L1457 HydrophobicContact CB-CD1 4.17Å; V1418-L1457 HydrophobicContact CG2-CD1 3.89Å; I1453-L1457 HydrophobicContact CG2-CD1 4.01Å; I1453-L1457 HydrophobicContact CG2-CG 4.07Å; I1453-L1457 PolarHBondContact O-N 3.39Å; T1454-L1457 PolarHBondContact O-N 3.37Å; L1457-R1459 VanDerWaalsContact C-N 3.32Å; L1457-R1459 PolarHBondContact O-N 2.82Å; L1457-Y1460 HydrophobicContact CD2-CD2 4.15Å; L1457-Y1460 HydrophobicContact CD2-CE2 4.38Å; L1457-Y1460 PolarHBondContact O-N 3.13Å; L1457-Y1460 VanDerWaalsContact O-N 3.16Å; L1457-I1461 WeakPolarHBondContact O-CG1 3.41Å; L1457-I1461 PolarHBondContact O-N 3Å |
| 1458 | Y | 89.1 | Confident | 88.7 | Confident | 143 Ų | 143 | 38.6 Ų | 38.6 | 56% | 0.561 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -60.2 | -42 | 174.7 | -178.6 | -107.3 | 0 | 0 | 0 | 111.8 | T1454 F1456 Y1460 I1461 L1462 | T1454-Y1458 WeakPolarHBondContact O-CB 3.32Å; T1454-Y1458 PolarHBondContact O-N 3.37Å; F1456-Y1458 PolarHBondContact O-N 2.91Å; Y1458-Y1460 PolarHBondContact O-N 3.39Å; Y1458-I1461 PolarHBondContact O-N 3.2Å; Y1458-L1462 HydrophobicContact CD1-CD1 3.93Å; Y1458-L1462 HydrophobicContact CD1-CG 4.49Å; Y1458-L1462 HydrophobicContact CE1-CD1 3.37Å; Y1458-L1462 HydrophobicContact CE1-CG 4.1Å; Y1458-L1462 HydrophobicContact CE2-CG 4.49Å; Y1458-L1462 PolarHBondContact O-N 3.44Å |
| 1459 | R | 91.2 | Very high | 88.5 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 22% | 0.219 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60 | -41.9 | 173.4 | 175.6 | 58.9 | 167.4 | -140 | -8.3 | 112.1 | Y1183 E1350 V1455 F1456 L1457 L1462 L1463 | Y1183-R1459 HydrophobicContact CD1-CG 4.43Å; Y1183-R1459 HydrophobicContact CE1-CB 3.95Å; Y1183-R1459 HydrophobicContact CE1-CG 3.8Å; Y1183-R1459 HydrophobicContact CE2-CG 4.26Å; Y1183-R1459 WeakPolarHBondContact OH-CD 3.31Å; Y1183-R1459 PolarHBondContact OH-NH1 2.96Å; E1350-R1459 HydrophobicContact CG-CG 3.92Å; E1350-R1459 IonicContact OE1-CZ 2.78Å; E1350-R1459 IonicContact OE1-NE 3.2Å; E1350-R1459 PolarHBondContact OE1-NE 3.37Å; E1350-R1459 IonicContact OE1-NH2 2.77Å; E1350-R1459 PolarHBondContact OE1-NH2 2.98Å; V1455-R1459 WeakPolarHBondContact O-CB 3.33Å; V1455-R1459 PolarHBondContact O-N 3.12Å; F1456-R1459 WeakPolarHBondContact O-CB 3.47Å; F1456-R1459 PolarHBondContact O-N 2.97Å; L1457-R1459 VanDerWaalsContact C-N 3.32Å; L1457-R1459 PolarHBondContact O-N 2.82Å; R1459-L1462 PolarHBondContact O-N 3.3Å; R1459-L1463 WeakPolarHBondContact O-CB 3.21Å; R1459-L1463 PolarHBondContact O-N 2.68Å |
| 1460 | Y | 90 | Very high | 88.2 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -40.4 | 176.8 | -53.5 | -31.5 | 0 | 0 | 0 | 112.6 | L1346 A1349 E1350 F1353 M1411 F1456 L1457 Y1458 L1463 G1464 | L1346-Y1460 VanDerWaalsContact CA-OH 3.27Å; L1346-Y1460 WeakPolarHBondContact CA-OH 3.45Å; L1346-Y1460 WeakPolarHBondContact CB-OH 3.33Å; L1346-Y1460 HydrophobicContact CD2-CE2 3.92Å; L1346-Y1460 WeakPolarHBondContact CD2-OH 3.33Å; L1346-Y1460 PolarHBondContact O-OH 2.97Å; A1349-Y1460 HydrophobicContact CB-CE1 4.19Å; A1349-Y1460 HydrophobicContact CB-CE2 4.49Å; E1350-Y1460 HydrophobicContact CB-CE1 3.87Å; E1350-Y1460 HydrophobicContact CG-CE1 4.13Å; F1353-Y1460 HydrophobicContact CD2-CD1 4Å; F1353-Y1460 HydrophobicContact CD2-CG 4.41Å; F1353-Y1460 HydrophobicContact CE2-CD1 4.46Å; F1353-Y1460 HydrophobicContact CE2-CG 4.43Å; M1411-Y1460 HydrophobicContact CG-CD2 3.78Å; M1411-Y1460 HydrophobicContact CG-CE2 4.29Å; M1411-Y1460 HydrophobicContact CG-CG 4.37Å; M1411-Y1460 HydrophobicContact SD-CD2 4.21Å; M1411-Y1460 HydrophobicContact SD-CG 4.3Å; F1456-Y1460 HydrophobicContact CB-CE2 4.16Å; F1456-Y1460 HydrophobicContact CD1-CE1 4.28Å; F1456-Y1460 WeakPolarHBondContact CD1-OH 3.4Å; F1456-Y1460 WeakPolarHBondContact O-CD1 3.16Å; F1456-Y1460 WeakPolarHBondContact O-CD2 3.37Å; F1456-Y1460 VanDerWaalsContact O-CG 3.23Å; F1456-Y1460 PolarHBondContact O-N 3.27Å; L1457-Y1460 HydrophobicContact CD2-CD2 4.15Å; L1457-Y1460 HydrophobicContact CD2-CE2 4.38Å; L1457-Y1460 PolarHBondContact O-N 3.13Å; L1457-Y1460 VanDerWaalsContact O-N 3.16Å; Y1458-Y1460 PolarHBondContact O-N 3.39Å; Y1460-L1463 PolarHBondContact O-N 2.78Å; Y1460-G1464 PolarHBondContact O-N 2.98Å |
| 1461 | I | 86.5 | Confident | 87.7 | Confident | 80 Ų | 80 | 46.1 Ų | 46.1 | 41% | 0.41 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 176.5 | -65.5 | 164.5 | 0 | 0 | 0 | 110.3 | L1457 Y1458 L1463 T1465 | L1457-I1461 WeakPolarHBondContact O-CG1 3.41Å; L1457-I1461 PolarHBondContact O-N 3Å; Y1458-I1461 PolarHBondContact O-N 3.2Å; I1461-L1463 PolarHBondContact O-N 3.25Å; I1461-T1465 WeakPolarHBondContact O-CB 3.41Å; I1461-T1465 WeakPolarHBondContact O-CG2 3.49Å; I1461-T1465 PolarHBondContact O-N 3.12Å; I1461-T1465 PolarHBondContact O-OG1 2.9Å |
| 1462 | L | 88.1 | Confident | 87.1 | Confident | 54 Ų | 54 | 48 Ų | 48 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63 | -39 | 174.7 | -75 | -178.7 | 0 | 0 | 0 | 113.1 | Y1458 R1459 T1465 K1466 | Y1458-L1462 HydrophobicContact CD1-CD1 3.93Å; Y1458-L1462 HydrophobicContact CD1-CG 4.49Å; Y1458-L1462 HydrophobicContact CE1-CD1 3.37Å; Y1458-L1462 HydrophobicContact CE1-CG 4.1Å; Y1458-L1462 HydrophobicContact CE2-CG 4.49Å; Y1458-L1462 PolarHBondContact O-N 3.44Å; R1459-L1462 PolarHBondContact O-N 3.3Å; L1462-T1465 WeakPolarHBondContact CA-OG1 3.37Å; L1462-T1465 PolarHBondContact O-OG1 2.57Å; L1462-T1465 VanDerWaalsContact O-OG1 3.09Å; L1462-K1466 WeakPolarHBondContact O-CB 3.01Å; L1462-K1466 WeakPolarHBondContact O-CD 3.31Å; L1462-K1466 WeakPolarHBondContact O-CG 3.04Å; L1462-K1466 PolarHBondContact O-N 3.21Å; L1462-K1466 VanDerWaalsContact O-N 3.13Å |
| 1463 | L | 87.5 | Confident | 86.4 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77.2 | -39.5 | -176.4 | -169.8 | 46.4 | 0 | 0 | 0 | 111.4 | F1353 Q1354 L1357 R1459 Y1460 I1461 K1466 I1467 | F1353-L1463 HydrophobicContact CB-CD2 3.5Å; F1353-L1463 VanDerWaalsContact CB-CD2 3.5Å; F1353-L1463 HydrophobicContact CB-CG 3.86Å; Q1354-L1463 HydrophobicContact CG-CD2 4.04Å; L1357-L1463 HydrophobicContact CB-CD1 3.84Å; L1357-L1463 HydrophobicContact CD1-CD1 4.27Å; L1357-L1463 HydrophobicContact CD2-CD1 3.64Å; L1357-L1463 HydrophobicContact CG-CD1 4.11Å; R1459-L1463 WeakPolarHBondContact O-CB 3.21Å; R1459-L1463 PolarHBondContact O-N 2.68Å; Y1460-L1463 PolarHBondContact O-N 2.78Å; I1461-L1463 PolarHBondContact O-N 3.25Å; L1463-K1466 WeakPolarHBondContact O-CB 3.38Å; L1463-K1466 PolarHBondContact O-N 3.15Å; L1463-I1467 VanDerWaalsContact O-CG1 3.31Å; L1463-I1467 WeakPolarHBondContact O-CG1 3.11Å; L1463-I1467 PolarHBondContact O-N 3.5Å |
| 1464 | G | 85.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1460 K1466 I1467 T1468 F1519 | Y1460-G1464 PolarHBondContact O-N 2.98Å; G1464-K1466 VanDerWaalsContact C-N 3.31Å; G1464-K1466 PolarHBondContact O-N 3.31Å; G1464-I1467 PolarHBondContact O-N 2.99Å; G1464-T1468 PolarHBondContact O-N 2.89Å; G1464-F1519 WeakPolarHBondContact O-CD1 3.43Å |
| 1465 | T | 82.7 | Confident | 85.3 | Confident | 59 Ų | 59 | 50.8 Ų | 50.8 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.1 | -36.9 | 173.9 | 51 | 0 | 0 | 0 | 0 | 111.8 | I1461 L1462 T1468 K1469 | I1461-T1465 WeakPolarHBondContact O-CB 3.41Å; I1461-T1465 WeakPolarHBondContact O-CG2 3.49Å; I1461-T1465 PolarHBondContact O-N 3.12Å; I1461-T1465 PolarHBondContact O-OG1 2.9Å; L1462-T1465 WeakPolarHBondContact CA-OG1 3.37Å; L1462-T1465 PolarHBondContact O-OG1 2.57Å; L1462-T1465 VanDerWaalsContact O-OG1 3.09Å; T1465-T1468 PolarHBondContact O-N 3.45Å; T1465-K1469 WeakPolarHBondContact O-CB 3.41Å; T1465-K1469 WeakPolarHBondContact O-CG 3.31Å; T1465-K1469 PolarHBondContact O-N 3.44Å |
| 1466 | K | 87.6 | Confident | 84.8 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 171.4 | -77.4 | 172 | -179.5 | -179.4 | 0 | 113.1 | L1357 L1462 L1463 G1464 K1470 | L1357-K1466 HydrophobicContact CD1-CB 3.74Å; L1462-K1466 WeakPolarHBondContact O-CB 3.01Å; L1462-K1466 WeakPolarHBondContact O-CD 3.31Å; L1462-K1466 WeakPolarHBondContact O-CG 3.04Å; L1462-K1466 PolarHBondContact O-N 3.21Å; L1462-K1466 VanDerWaalsContact O-N 3.13Å; L1463-K1466 WeakPolarHBondContact O-CB 3.38Å; L1463-K1466 PolarHBondContact O-N 3.15Å; G1464-K1466 VanDerWaalsContact C-N 3.31Å; G1464-K1466 PolarHBondContact O-N 3.31Å; K1466-K1470 WeakPolarHBondContact O-CG 3.45Å; K1466-K1470 PolarHBondContact O-N 3.11Å |
| 1467 | I | 85.3 | Confident | 84.4 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.072 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.1 | -71.4 | 158.9 | 0 | 0 | 0 | 110.3 | F1353 R1356 L1357 L1463 G1464 K1470 Y1471 | F1353-I1467 HydrophobicContact CD1-CD1 3.84Å; R1356-I1467 HydrophobicContact CB-CD1 3.78Å; L1357-I1467 HydrophobicContact CB-CG1 3.97Å; L1357-I1467 HydrophobicContact CD1-CG1 3.86Å; L1463-I1467 VanDerWaalsContact O-CG1 3.31Å; L1463-I1467 WeakPolarHBondContact O-CG1 3.11Å; L1463-I1467 PolarHBondContact O-N 3.5Å; G1464-I1467 PolarHBondContact O-N 2.99Å; I1467-K1470 WeakPolarHBondContact O-CB 3.44Å; I1467-K1470 PolarHBondContact O-N 2.73Å; I1467-Y1471 HydrophobicContact CG2-CD2 3.9Å; I1467-Y1471 HydrophobicContact CG2-CE2 3.94Å; I1467-Y1471 WeakPolarHBondContact O-CD2 3.25Å; I1467-Y1471 PolarHBondContact O-N 2.86Å; I1467-Y1471 VanDerWaalsContact O-N 3.08Å |
| 1468 | T | 82 | Confident | 84.2 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 17% | 0.172 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72 | -36.2 | -178.6 | -68.4 | 0 | 0 | 0 | 0 | 113 | G1464 T1465 K1470 Y1471 R1472 F1519 | G1464-T1468 PolarHBondContact O-N 2.89Å; T1465-T1468 PolarHBondContact O-N 3.45Å; T1468-K1470 VanDerWaalsContact C-N 3.3Å; T1468-K1470 PolarHBondContact O-N 2.71Å; T1468-Y1471 PolarHBondContact O-N 2.89Å; T1468-R1472 WeakPolarHBondContact O-CB 3.34Å; T1468-R1472 PolarHBondContact O-N 2.83Å; T1468-F1519 HydrophobicContact CG2-CB 3.95Å; T1468-F1519 VanDerWaalsContact OG1-CB 3.29Å; T1468-F1519 WeakPolarHBondContact OG1-CB 3.46Å; T1468-F1519 WeakPolarHBondContact OG1-CD2 3.38Å; T1468-F1519 WeakPolarHBondContact OG1-CG 3.42Å |
| 1469 | K | 83.7 | Confident | 84.1 | Confident | 104 Ų | 104 | 47.6 Ų | 47.6 | 45% | 0.452 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.1 | -48.9 | 168.3 | -78.9 | -169.9 | 174.5 | -163.1 | 0 | 110.4 | T1465 Y1471 R1472 N1473 | T1465-K1469 WeakPolarHBondContact O-CB 3.41Å; T1465-K1469 WeakPolarHBondContact O-CG 3.31Å; T1465-K1469 PolarHBondContact O-N 3.44Å; K1469-Y1471 PolarHBondContact O-N 3.3Å; K1469-R1472 CarbonylContact O-C 3.57Å; K1469-R1472 PolarHBondContact O-N 3.16Å; K1469-N1473 PolarHBondContact O-N 3.07Å; K1469-N1473 PolarHBondContact O-OD1 2.76Å |
| 1470 | K | 84 | Confident | 83.8 | Confident | 67 Ų | 67 | 45.1 Ų | 45.1 | 29% | 0.291 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -41.4 | 178.1 | -73.9 | -175.5 | -176.2 | -59.6 | 0 | 114.1 | L1357 A1360 K1361 K1466 I1467 T1468 | L1357-K1470 HydrophobicContact CD1-CD 3.85Å; A1360-K1470 HydrophobicContact CB-CB 4.03Å; A1360-K1470 HydrophobicContact CB-CD 4.23Å; K1361-K1470 HydrophobicContact CB-CD 4.42Å; K1466-K1470 WeakPolarHBondContact O-CG 3.45Å; K1466-K1470 PolarHBondContact O-N 3.11Å; I1467-K1470 WeakPolarHBondContact O-CB 3.44Å; I1467-K1470 PolarHBondContact O-N 2.73Å; T1468-K1470 VanDerWaalsContact C-N 3.3Å; T1468-K1470 PolarHBondContact O-N 2.71Å |
| 1471 | Y | 79.9 | Confident | 83.6 | Confident | 15 Ų | 15 | 46 Ų | 46 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.2 | -34.1 | 176.6 | -77.8 | -65.4 | 0 | 0 | 0 | 113.3 | A1360 F1363 R1395 I1467 T1468 K1469 N1473 | A1360-Y1471 HydrophobicContact CB-CD2 3.95Å; A1360-Y1471 HydrophobicContact CB-CE1 4.39Å; A1360-Y1471 HydrophobicContact CB-CE2 3.47Å; A1360-Y1471 VanDerWaalsContact CB-CE2 3.47Å; F1363-Y1471 HydrophobicContact CD1-CD1 4.16Å; F1363-Y1471 AromaticContact CD1-CE1 3.81Å; F1363-Y1471 HydrophobicContact CD1-CE1 3.81Å; F1363-Y1471 HydrophobicContact CE1-CD1 4.46Å; F1363-Y1471 HydrophobicContact CE1-CE1 4.39Å; F1363-Y1471 HydrophobicContact CG-CE1 4.34Å; R1395-Y1471 HydrophobicContact CG-CD1 4.48Å; R1395-Y1471 VanDerWaalsContact CZ-O 3.31Å; R1395-Y1471 PolarHBondContact NH1-O 2.96Å; R1395-Y1471 PolarHBondContact NH2-O 3.48Å; I1467-Y1471 HydrophobicContact CG2-CD2 3.9Å; I1467-Y1471 HydrophobicContact CG2-CE2 3.94Å; I1467-Y1471 WeakPolarHBondContact O-CD2 3.25Å; I1467-Y1471 PolarHBondContact O-N 2.86Å; I1467-Y1471 VanDerWaalsContact O-N 3.08Å; T1468-Y1471 PolarHBondContact O-N 2.89Å; K1469-Y1471 PolarHBondContact O-N 3.3Å; Y1471-N1473 VanDerWaalsContact C-N 3.28Å; Y1471-N1473 PolarHBondContact O-N 3.26Å |
| 1472 | R | 75.9 | Confident | 83.7 | Confident | 144 Ų | 144 | 46.6 Ų | 46.6 | 54% | 0.543 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -82 | 0.8 | 179.1 | -153 | -167 | 75.3 | 156.8 | 3.7 | 113.6 | T1468 K1469 F1474 | T1468-R1472 WeakPolarHBondContact O-CB 3.34Å; T1468-R1472 PolarHBondContact O-N 2.83Å; K1469-R1472 CarbonylContact O-C 3.57Å; K1469-R1472 PolarHBondContact O-N 3.16Å; R1472-F1474 VanDerWaalsContact C-N 3.33Å; R1472-F1474 HydrophobicContact CG-CE2 3.8Å; R1472-F1474 HydrophobicContact CG-CZ 3.81Å; R1472-F1474 VanDerWaalsContact O-CD2 3.26Å; R1472-F1474 WeakPolarHBondContact O-CD2 3.44Å; R1472-F1474 WeakPolarHBondContact O-CE2 3.48Å; R1472-F1474 PolarHBondContact O-N 2.8Å |
| 1473 | N | 76.3 | Confident | 83.6 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | trans | -73.4 | 86.7 | 173.7 | -80.3 | 0.4 | 0 | 0 | 0 | 109.9 | F1364 K1469 Y1471 S1475 | F1364-N1473 HydrophobicContact CD2-CB 4.46Å; F1364-N1473 HydrophobicContact CE2-CB 3.66Å; F1364-N1473 HydrophobicContact CZ-CB 4.4Å; K1469-N1473 PolarHBondContact O-N 3.07Å; K1469-N1473 PolarHBondContact O-OD1 2.76Å; Y1471-N1473 VanDerWaalsContact C-N 3.28Å; Y1471-N1473 PolarHBondContact O-N 3.26Å; N1473-S1475 PolarHBondContact O-N 2.53Å; N1473-S1475 VanDerWaalsContact O-N 3.08Å | ||
| 1474 | F | 80.7 | Confident | 83.4 | Confident | 35 Ų | 35 | 46.6 Ų | 46.6 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -8.5 | 178.2 | -56.8 | -66.4 | 0 | 0 | 0 | 114.1 | R1472 V1476 L1477 I1478 E1509 L1512 K1513 | R1472-F1474 VanDerWaalsContact C-N 3.33Å; R1472-F1474 HydrophobicContact CG-CE2 3.8Å; R1472-F1474 HydrophobicContact CG-CZ 3.81Å; R1472-F1474 VanDerWaalsContact O-CD2 3.26Å; R1472-F1474 WeakPolarHBondContact O-CD2 3.44Å; R1472-F1474 WeakPolarHBondContact O-CE2 3.48Å; R1472-F1474 PolarHBondContact O-N 2.8Å; F1474-V1476 PolarHBondContact O-N 3.19Å; F1474-V1476 VanDerWaalsContact O-N 3.08Å; F1474-L1477 HydrophobicContact CD1-CD1 4.2Å; F1474-L1477 WeakPolarHBondContact O-CA 3.38Å; F1474-L1477 WeakPolarHBondContact O-CB 3.47Å; F1474-L1477 PolarHBondContact O-N 2.81Å; F1474-I1478 HydrophobicContact CB-CD1 4.23Å; F1474-I1478 PolarHBondContact O-N 2.89Å; F1474-E1509 HydrophobicContact CB-CG 4.44Å; F1474-E1509 HydrophobicContact CD1-CG 4.26Å; F1474-E1509 HydrophobicContact CG-CG 4.44Å; F1474-L1512 HydrophobicContact CE1-CB 3.85Å; F1474-K1513 HydrophobicContact CD2-CG 4.32Å; F1474-K1513 HydrophobicContact CE1-CG 3.95Å; F1474-K1513 HydrophobicContact CE2-CG 3.64Å; F1474-K1513 HydrophobicContact CZ-CB 4.29Å; F1474-K1513 HydrophobicContact CZ-CG 3.44Å; F1474-K1513 VanDerWaalsContact CZ-CG 3.44Å |
| 1475 | S | 80.1 | Confident | 83.4 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -46.6 | -38.8 | 179.2 | 41.3 | 0 | 0 | 0 | 0 | 114.3 | N1473 L1477 I1478 T1479 | N1473-S1475 PolarHBondContact O-N 2.53Å; N1473-S1475 VanDerWaalsContact O-N 3.08Å; S1475-L1477 PolarHBondContact O-N 2.83Å; S1475-I1478 PolarHBondContact O-N 2.96Å; S1475-T1479 WeakPolarHBondContact O-CB 3.36Å; S1475-T1479 WeakPolarHBondContact O-CG2 3.11Å; S1475-T1479 PolarHBondContact O-N 3.43Å; S1475-T1479 PolarHBondContact O-OG1 3.22Å |
| 1476 | V | 81.8 | Confident | 83.5 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.8 | 159.5 | 0 | 0 | 0 | 0 | 112.6 | F1364 T1367 L1382 W1391 F1474 T1479 E1480 | F1364-V1476 HydrophobicContact CD1-CG2 4.19Å; F1364-V1476 HydrophobicContact CD2-CG2 4.28Å; F1364-V1476 HydrophobicContact CE1-CG2 3.66Å; F1364-V1476 HydrophobicContact CE2-CG2 3.78Å; F1364-V1476 HydrophobicContact CG-CG2 4.48Å; F1364-V1476 HydrophobicContact CZ-CB 4.47Å; F1364-V1476 HydrophobicContact CZ-CG2 3.46Å; F1364-V1476 VanDerWaalsContact CZ-CG2 3.46Å; T1367-V1476 HydrophobicContact CG2-CG1 3.79Å; T1367-V1476 VanDerWaalsContact OG1-CG1 3.29Å; T1367-V1476 WeakPolarHBondContact OG1-CG1 3.29Å; T1367-V1476 WeakPolarHBondContact OG1-CG2 3.19Å; L1382-V1476 HydrophobicContact CD1-CG1 4.42Å; W1391-V1476 HydrophobicContact CZ2-CG1 4.19Å; F1474-V1476 PolarHBondContact O-N 3.19Å; F1474-V1476 VanDerWaalsContact O-N 3.08Å; V1476-T1479 WeakPolarHBondContact CA-OG1 3.29Å; V1476-T1479 PolarHBondContact O-OG1 3.3Å; V1476-E1480 WeakPolarHBondContact O-CB 3.43Å; V1476-E1480 VanDerWaalsContact O-CG 3.23Å; V1476-E1480 WeakPolarHBondContact O-CG 3.3Å; V1476-E1480 PolarHBondContact O-N 2.74Å |
| 1477 | L | 84.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -40.5 | 178.4 | -54 | 176 | 0 | 0 | 0 | 110.5 | L1382 W1391 F1474 S1475 E1480 Q1481 L1505 E1509 L1512 | L1382-L1477 HydrophobicContact CD1-CD2 4.14Å; W1391-L1477 HydrophobicContact CE3-CD2 4.43Å; W1391-L1477 HydrophobicContact CH2-CD2 3.74Å; W1391-L1477 HydrophobicContact CH2-CG 4.29Å; W1391-L1477 HydrophobicContact CZ2-CD2 4.28Å; W1391-L1477 HydrophobicContact CZ3-CD2 3.82Å; F1474-L1477 HydrophobicContact CD1-CD1 4.2Å; F1474-L1477 WeakPolarHBondContact O-CA 3.38Å; F1474-L1477 WeakPolarHBondContact O-CB 3.47Å; F1474-L1477 PolarHBondContact O-N 2.81Å; S1475-L1477 PolarHBondContact O-N 2.83Å; L1477-E1480 PolarHBondContact O-N 2.69Å; L1477-Q1481 WeakPolarHBondContact O-CG 3.41Å; L1477-Q1481 PolarHBondContact O-N 3.02Å; L1477-L1505 HydrophobicContact CB-CD1 4.35Å; L1477-L1505 HydrophobicContact CD2-CD1 3.66Å; L1477-E1509 HydrophobicContact CD1-CB 4.08Å; L1477-E1509 HydrophobicContact CD1-CG 4.18Å; L1477-L1512 HydrophobicContact CD1-CD1 3.82Å |
| 1478 | I | 84.9 | Confident | 83.1 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 178.2 | -60.9 | 167.7 | 0 | 0 | 0 | 110.4 | F1474 S1475 E1480 Q1481 I1482 | F1474-I1478 HydrophobicContact CB-CD1 4.23Å; F1474-I1478 PolarHBondContact O-N 2.89Å; S1475-I1478 PolarHBondContact O-N 2.96Å; I1478-E1480 VanDerWaalsContact C-N 3.33Å; I1478-E1480 PolarHBondContact O-N 3.42Å; I1478-Q1481 WeakPolarHBondContact O-CB 3.34Å; I1478-Q1481 PolarHBondContact O-N 3.35Å; I1478-I1482 HydrophobicContact CG2-CD1 4.13Å; I1478-I1482 WeakPolarHBondContact O-CG1 3.26Å; I1478-I1482 PolarHBondContact O-N 2.99Å |
| 1479 | T | 87.1 | Confident | 82.9 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | S1475 V1476 I1482 N1483 | S1475-T1479 WeakPolarHBondContact O-CB 3.36Å; S1475-T1479 WeakPolarHBondContact O-CG2 3.11Å; S1475-T1479 PolarHBondContact O-N 3.43Å; S1475-T1479 PolarHBondContact O-OG1 3.22Å; V1476-T1479 WeakPolarHBondContact CA-OG1 3.29Å; V1476-T1479 PolarHBondContact O-OG1 3.3Å; T1479-I1482 PolarHBondContact O-N 3.08Å; T1479-N1483 WeakPolarHBondContact O-CB 3.37Å; T1479-N1483 PolarHBondContact O-N 2.8Å; T1479-N1483 PolarHBondContact O-ND2 2.84Å |
| 1480 | E | 85.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.028 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.9 | -29.5 | 176.3 | -66.8 | -69.2 | 110.4 | 0 | 0 | 112 | R1381 L1382 V1476 L1477 I1478 L1484 L1505 | R1381-E1480 WeakPolarHBondContact CA-OE2 3.2Å; R1381-E1480 WeakPolarHBondContact CD-OE1 3.44Å; R1381-E1480 WeakPolarHBondContact CD-OE2 3.24Å; R1381-E1480 IonicContact CZ-OE1 2.69Å; R1381-E1480 IonicContact NE-OE1 2.59Å; R1381-E1480 IonicContact NH1-OE1 3.77Å; R1381-E1480 PolarHBondContact NH1-OE1 3.37Å; L1382-E1480 HydrophobicContact CB-CB 4.18Å; L1382-E1480 HydrophobicContact CB-CG 4.03Å; L1382-E1480 HydrophobicContact CD1-CB 4.44Å; L1382-E1480 HydrophobicContact CD1-CG 4.1Å; L1382-E1480 HydrophobicContact CG-CG 4.05Å; L1382-E1480 PolarHBondContact N-OE2 2.98Å; V1476-E1480 WeakPolarHBondContact O-CB 3.43Å; V1476-E1480 VanDerWaalsContact O-CG 3.23Å; V1476-E1480 WeakPolarHBondContact O-CG 3.3Å; V1476-E1480 PolarHBondContact O-N 2.74Å; L1477-E1480 PolarHBondContact O-N 2.69Å; I1478-E1480 VanDerWaalsContact C-N 3.33Å; I1478-E1480 PolarHBondContact O-N 3.42Å; E1480-L1484 VanDerWaalsContact O-CB 3.27Å; E1480-L1484 WeakPolarHBondContact O-CB 3.47Å; E1480-L1484 VanDerWaalsContact O-CG 3.23Å; E1480-L1484 WeakPolarHBondContact O-CG 3.31Å; E1480-L1484 PolarHBondContact O-N 2.86Å; E1480-L1505 HydrophobicContact CB-CD2 3.76Å |
| 1481 | Q | 87 | Confident | 82.6 | Confident | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 168.9 | -78.4 | 176.5 | 50.2 | 0 | 0 | 111.6 | L1477 I1478 L1484 Y1485 F1502 L1505 R1506 E1509 | L1477-Q1481 WeakPolarHBondContact O-CG 3.41Å; L1477-Q1481 PolarHBondContact O-N 3.02Å; I1478-Q1481 WeakPolarHBondContact O-CB 3.34Å; I1478-Q1481 PolarHBondContact O-N 3.35Å; Q1481-L1484 PolarHBondContact O-N 3.21Å; Q1481-Y1485 PolarHBondContact O-N 2.92Å; Q1481-F1502 HydrophobicContact CB-CD2 4.12Å; Q1481-F1502 HydrophobicContact CB-CE2 3.88Å; Q1481-F1502 HydrophobicContact CG-CD2 4.21Å; Q1481-F1502 HydrophobicContact CG-CE2 4.22Å; Q1481-L1505 HydrophobicContact CB-CD2 4.36Å; Q1481-L1505 HydrophobicContact CG-CB 4.26Å; Q1481-L1505 HydrophobicContact CG-CD2 3.64Å; Q1481-L1505 HydrophobicContact CG-CG 3.86Å; Q1481-R1506 HydrophobicContact CG-CG 4.46Å; Q1481-R1506 VanDerWaalsContact OE1-CG 3.27Å; Q1481-E1509 PolarHBondContact NE2-OE2 2.87Å |
| 1482 | I | 87.7 | Confident | 82.3 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 48% | 0.482 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.2 | -64.7 | 163.9 | 0 | 0 | 0 | 110.6 | I1478 T1479 L1484 Y1485 L1486 | I1478-I1482 HydrophobicContact CG2-CD1 4.13Å; I1478-I1482 WeakPolarHBondContact O-CG1 3.26Å; I1478-I1482 PolarHBondContact O-N 2.99Å; T1479-I1482 PolarHBondContact O-N 3.08Å; I1482-L1484 VanDerWaalsContact C-N 3.27Å; I1482-L1484 PolarHBondContact O-N 3.32Å; I1482-Y1485 WeakPolarHBondContact O-CB 3.46Å; I1482-Y1485 PolarHBondContact O-N 3.45Å; I1482-Y1485 VanDerWaalsContact O-N 3.12Å; I1482-L1486 HydrophobicContact CG2-CD1 4.15Å; I1482-L1486 WeakPolarHBondContact O-CG 3.16Å; I1482-L1486 PolarHBondContact O-N 3.18Å |
| 1483 | N | 85.9 | Confident | 82.2 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -32.4 | 176.2 | -78.5 | -96.3 | 0 | 0 | 0 | 112.1 | R1381 T1479 S1487 | R1381-N1483 VanDerWaalsContact NH1-CG 3.27Å; R1381-N1483 PolarHBondContact NH1-ND2 2.72Å; R1381-N1483 PolarHBondContact NH1-OD1 3.07Å; R1381-N1483 PolarHBondContact NH2-OD1 2.98Å; T1479-N1483 WeakPolarHBondContact O-CB 3.37Å; T1479-N1483 PolarHBondContact O-N 2.8Å; T1479-N1483 PolarHBondContact O-ND2 2.84Å; N1483-S1487 WeakPolarHBondContact O-CB 3.27Å; N1483-S1487 PolarHBondContact O-N 2.95Å; N1483-S1487 VanDerWaalsContact O-N 3.08Å; N1483-S1487 PolarHBondContact O-OG 2.85Å |
| 1484 | L | 84.4 | Confident | 82.2 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 171.7 | -81.6 | 168.8 | 0 | 0 | 0 | 112.4 | N1383 E1480 Q1481 I1482 S1487 M1488 L1498 T1501 F1502 L1505 | N1383-L1484 HydrophobicContact CB-CD2 4.46Å; E1480-L1484 VanDerWaalsContact O-CB 3.27Å; E1480-L1484 WeakPolarHBondContact O-CB 3.47Å; E1480-L1484 VanDerWaalsContact O-CG 3.23Å; E1480-L1484 WeakPolarHBondContact O-CG 3.31Å; E1480-L1484 PolarHBondContact O-N 2.86Å; Q1481-L1484 PolarHBondContact O-N 3.21Å; I1482-L1484 VanDerWaalsContact C-N 3.27Å; I1482-L1484 PolarHBondContact O-N 3.32Å; L1484-S1487 WeakPolarHBondContact O-CB 3.29Å; L1484-S1487 PolarHBondContact O-N 2.95Å; L1484-M1488 WeakPolarHBondContact O-CG 3.46Å; L1484-M1488 PolarHBondContact O-N 3.32Å; L1484-L1498 HydrophobicContact CD2-CB 4.45Å; L1484-L1498 HydrophobicContact CD2-CD2 3.57Å; L1484-T1501 HydrophobicContact CD1-CG2 3.81Å; L1484-T1501 HydrophobicContact CD2-CG2 4.14Å; L1484-F1502 HydrophobicContact CB-CB 4.47Å; L1484-F1502 HydrophobicContact CB-CD2 4.22Å; L1484-F1502 HydrophobicContact CD1-CB 4.3Å; L1484-L1505 HydrophobicContact CD1-CD2 3.72Å |
| 1485 | Y | 84.4 | Confident | 82.3 | Confident | 145 Ų | 145 | 68.8 Ų | 68.8 | 57% | 0.569 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.7 | -52.8 | 176.7 | -173.1 | -94.6 | 0 | 0 | 0 | 111.4 | Q1481 I1482 S1487 M1488 E1489 | Q1481-Y1485 PolarHBondContact O-N 2.92Å; I1482-Y1485 WeakPolarHBondContact O-CB 3.46Å; I1482-Y1485 PolarHBondContact O-N 3.45Å; I1482-Y1485 VanDerWaalsContact O-N 3.12Å; Y1485-S1487 PolarHBondContact O-N 3.4Å; Y1485-M1488 HydrophobicContact CD2-CE 4Å; Y1485-M1488 WeakPolarHBondContact O-CB 3.32Å; Y1485-M1488 PolarHBondContact O-N 3.08Å; Y1485-E1489 PolarHBondContact O-N 3.03Å |
| 1486 | L | 86 | Confident | 82.3 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.3 | -29.9 | 173.3 | -63.3 | 168.8 | 0 | 0 | 0 | 112.4 | I1482 S1490 | I1482-L1486 HydrophobicContact CG2-CD1 4.15Å; I1482-L1486 WeakPolarHBondContact O-CG 3.16Å; I1482-L1486 PolarHBondContact O-N 3.18Å; L1486-S1490 WeakPolarHBondContact O-CB 3.5Å; L1486-S1490 PolarHBondContact O-N 3.36Å |
| 1487 | S | 82.6 | Confident | 82.2 | Confident | 42 Ų | 42 | 79.8 Ų | 79.8 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -72.9 | -29.8 | 173.7 | -62.7 | 0 | 0 | 0 | 0 | 113.4 | N1483 L1484 Y1485 K1491 L1498 | N1483-S1487 WeakPolarHBondContact O-CB 3.27Å; N1483-S1487 PolarHBondContact O-N 2.95Å; N1483-S1487 VanDerWaalsContact O-N 3.08Å; N1483-S1487 PolarHBondContact O-OG 2.85Å; L1484-S1487 WeakPolarHBondContact O-CB 3.29Å; L1484-S1487 PolarHBondContact O-N 2.95Å; Y1485-S1487 PolarHBondContact O-N 3.4Å; S1487-K1491 WeakPolarHBondContact O-CB 3.14Å; S1487-K1491 PolarHBondContact O-N 3.13Å; S1487-K1491 VanDerWaalsContact O-N 3.08Å; S1487-L1498 WeakPolarHBondContact O-CD1 3.41Å |
| 1488 | M | 81.6 | Confident | 82.1 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 14% | 0.143 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.8 | -34.2 | 175.4 | -73.3 | -174.9 | -69.8 | 0 | 0 | 111.8 | L1484 Y1485 L1498 M1499 F1502 | L1484-M1488 WeakPolarHBondContact O-CG 3.46Å; L1484-M1488 PolarHBondContact O-N 3.32Å; Y1485-M1488 HydrophobicContact CD2-CE 4Å; Y1485-M1488 WeakPolarHBondContact O-CB 3.32Å; Y1485-M1488 PolarHBondContact O-N 3.08Å; M1488-L1498 HydrophobicContact CG-CB 3.54Å; M1488-L1498 HydrophobicContact CG-CD1 4.29Å; M1488-L1498 HydrophobicContact SD-CB 4.39Å; M1488-M1499 VanDerWaalsContact SD-CA 3.57Å; M1488-M1499 HydrophobicContact SD-CB 3.71Å; M1488-M1499 HydrophobicContact SD-CG 4.46Å; M1488-F1502 HydrophobicContact CE-CB 4.48Å; M1488-F1502 HydrophobicContact CE-CD2 4.39Å; M1488-F1502 HydrophobicContact CE-CG 4.27Å |
| 1489 | E | 77.9 | Confident | 82.2 | Confident | 138 Ų | 138 | 81.3 Ų | 81.3 | 65% | 0.645 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -69.1 | -53.4 | 173.9 | -176.1 | 169.6 | -144.9 | 0 | 0 | 111 | Y1485 K1491 | Y1485-E1489 PolarHBondContact O-N 3.03Å; E1489-K1491 VanDerWaalsContact C-N 3.28Å; E1489-K1491 PolarHBondContact O-N 3.08Å |
| 1490 | S | 80.6 | Confident | 82.1 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 57% | 0.566 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.8 | -26 | 178.2 | 170.9 | 0 | 0 | 0 | 0 | 114.4 | L1486 | L1486-S1490 WeakPolarHBondContact O-CB 3.5Å; L1486-S1490 PolarHBondContact O-N 3.36Å |
| 1491 | K | 79.6 | Confident | 82.1 | Confident | 101 Ų | 101 | 82.9 Ų | 82.9 | 44% | 0.439 | 41% | 0.413 | S | S | . | . | trans | -136.8 | 71.1 | -168.4 | -62.1 | 177.6 | -179.3 | 154 | 0 | 112.1 | S1487 E1489 H1493 K1494 K1495 | S1487-K1491 WeakPolarHBondContact O-CB 3.14Å; S1487-K1491 PolarHBondContact O-N 3.13Å; S1487-K1491 VanDerWaalsContact O-N 3.08Å; E1489-K1491 VanDerWaalsContact C-N 3.28Å; E1489-K1491 PolarHBondContact O-N 3.08Å; K1491-H1493 PolarHBondContact O-N 2.99Å; K1491-K1494 PolarHBondContact O-N 2.98Å; K1491-K1495 PolarHBondContact O-N 2.88Å | ||
| 1492 | P | 73.1 | Confident | 82 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -55.6 | -37.5 | -179.8 | 20.9 | -33.2 | 0 | 0 | 0 | 112.7 | K1494 K1495 | P1492-K1494 PolarHBondContact O-N 2.84Å; P1492-K1495 WeakPolarHBondContact O-CB 3.43Å; P1492-K1495 PolarHBondContact O-N 2.9Å |
| 1493 | H | 75.5 | Confident | 82.1 | Confident | 135 Ų | 135 | 84 Ų | 84 | 63% | 0.625 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -63.6 | -0.1 | 175.4 | 74.2 | -71.6 | 0 | 0 | 0 | 115.8 | K1491 | K1491-H1493 PolarHBondContact O-N 2.99Š|
| 1494 | K | 76.6 | Confident | 82.1 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 46% | 0.457 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -132.5 | 14.9 | 171.5 | -68.8 | 179.7 | 174.4 | 54.8 | 0 | 112.7 | K1491 P1492 E1496 D1497 L1498 | K1491-K1494 PolarHBondContact O-N 2.98Å; P1492-K1494 PolarHBondContact O-N 2.84Å; K1494-E1496 VanDerWaalsContact C-N 3.29Å; K1494-E1496 PolarHBondContact O-N 2.86Å; K1494-D1497 PolarHBondContact O-N 3.05Å; K1494-L1498 HydrophobicContact CB-CD1 4.04Å; K1494-L1498 HydrophobicContact CB-CG 4.38Å; K1494-L1498 WeakPolarHBondContact O-CB 3.39Å; K1494-L1498 WeakPolarHBondContact O-CD1 3.42Å; K1494-L1498 VanDerWaalsContact O-CG 3.26Å; K1494-L1498 WeakPolarHBondContact O-CG 3.23Å; K1494-L1498 PolarHBondContact O-N 3.49Å; K1494-L1498 VanDerWaalsContact O-N 3.09Å |
| 1495 | K | 81.1 | Confident | 82.2 | Confident | 122 Ų | 122 | 82.6 Ų | 82.6 | 53% | 0.53 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.1 | -40.8 | -174.9 | -173.8 | 173.3 | -178.8 | 177.2 | 0 | 112.6 | K1491 P1492 M1499 | K1491-K1495 PolarHBondContact O-N 2.88Å; P1492-K1495 WeakPolarHBondContact O-CB 3.43Å; P1492-K1495 PolarHBondContact O-N 2.9Å; K1495-M1499 WeakPolarHBondContact O-CB 3.46Å; K1495-M1499 PolarHBondContact O-N 3.08Å |
| 1496 | E | 80.1 | Confident | 82.2 | Confident | 172 Ų | 172 | 82.7 Ų | 82.7 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.9 | -52.4 | 179.3 | -61.6 | -177.9 | -178 | 0 | 0 | 113.1 | K1494 L1498 M1499 L1500 | K1494-E1496 VanDerWaalsContact C-N 3.29Å; K1494-E1496 PolarHBondContact O-N 2.86Å; E1496-L1498 VanDerWaalsContact C-N 3.26Å; E1496-L1498 PolarHBondContact O-N 2.81Å; E1496-M1499 PolarHBondContact O-N 3.1Å; E1496-L1500 VanDerWaalsContact O-CB 3.31Å; E1496-L1500 WeakPolarHBondContact O-CB 3.26Å; E1496-L1500 PolarHBondContact O-N 3.34Å |
| 1497 | D | 80.8 | Confident | 82.2 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -56.6 | -41.1 | 177.8 | -117.8 | 9.3 | 0 | 0 | 0 | 111.6 | K1494 T1501 | K1494-D1497 PolarHBondContact O-N 3.05Å; D1497-T1501 WeakPolarHBondContact O-CB 3.42Å; D1497-T1501 PolarHBondContact O-N 2.83Å; D1497-T1501 PolarHBondContact O-OG1 2.92Å |
| 1498 | L | 83 | Confident | 82.3 | Confident | 19 Ų | 19 | 81.6 Ų | 81.6 | 10% | 0.099 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -75 | -40.8 | 179.4 | -66.5 | 169.2 | 0 | 0 | 0 | 111.9 | L1484 S1487 M1488 K1494 E1496 T1501 F1502 | L1484-L1498 HydrophobicContact CD2-CB 4.45Å; L1484-L1498 HydrophobicContact CD2-CD2 3.57Å; S1487-L1498 WeakPolarHBondContact O-CD1 3.41Å; M1488-L1498 HydrophobicContact CG-CB 3.54Å; M1488-L1498 HydrophobicContact CG-CD1 4.29Å; M1488-L1498 HydrophobicContact SD-CB 4.39Å; K1494-L1498 HydrophobicContact CB-CD1 4.04Å; K1494-L1498 HydrophobicContact CB-CG 4.38Å; K1494-L1498 WeakPolarHBondContact O-CB 3.39Å; K1494-L1498 WeakPolarHBondContact O-CD1 3.42Å; K1494-L1498 VanDerWaalsContact O-CG 3.26Å; K1494-L1498 WeakPolarHBondContact O-CG 3.23Å; K1494-L1498 PolarHBondContact O-N 3.49Å; K1494-L1498 VanDerWaalsContact O-N 3.09Å; E1496-L1498 VanDerWaalsContact C-N 3.26Å; E1496-L1498 PolarHBondContact O-N 2.81Å; L1498-T1501 PolarHBondContact O-N 3.16Å; L1498-F1502 VanDerWaalsContact O-CB 3.28Å; L1498-F1502 WeakPolarHBondContact O-CB 3.49Å; L1498-F1502 PolarHBondContact O-N 3.13Å |
| 1499 | M | 85.2 | Confident | 82.5 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 176.1 | 179.9 | 171.7 | 172 | 0 | 0 | 111.6 | M1488 K1495 E1496 F1502 Q1503 | M1488-M1499 VanDerWaalsContact SD-CA 3.57Å; M1488-M1499 HydrophobicContact SD-CB 3.71Å; M1488-M1499 HydrophobicContact SD-CG 4.46Å; K1495-M1499 WeakPolarHBondContact O-CB 3.46Å; K1495-M1499 PolarHBondContact O-N 3.08Å; E1496-M1499 PolarHBondContact O-N 3.1Å; M1499-F1502 PolarHBondContact O-N 2.79Å; M1499-Q1503 WeakPolarHBondContact O-CG 3.47Å; M1499-Q1503 PolarHBondContact O-N 3.41Å |
| 1500 | L | 85.3 | Confident | 82.7 | Confident | 89 Ų | 89 | 76.6 Ų | 76.6 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 173.4 | -170.4 | 160.8 | 0 | 0 | 0 | 110.2 | V1385 E1496 F1502 Q1503 V1504 | V1385-L1500 HydrophobicContact CG2-CD2 3.38Å; E1496-L1500 VanDerWaalsContact O-CB 3.31Å; E1496-L1500 WeakPolarHBondContact O-CB 3.26Å; E1496-L1500 PolarHBondContact O-N 3.34Å; L1500-F1502 VanDerWaalsContact C-N 3.32Å; L1500-F1502 PolarHBondContact O-N 3.08Å; L1500-Q1503 PolarHBondContact O-N 2.69Å; L1500-V1504 HydrophobicContact CD2-CG2 4.14Å; L1500-V1504 WeakPolarHBondContact O-CG2 3.32Å; L1500-V1504 PolarHBondContact O-N 2.9Å |
| 1501 | T | 85.2 | Confident | 82.7 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 174.8 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | L1382 I1388 L1484 D1497 L1498 V1504 L1505 | L1382-T1501 WeakPolarHBondContact O-CG2 3.3Å; I1388-T1501 HydrophobicContact CD1-CG2 3.65Å; L1484-T1501 HydrophobicContact CD1-CG2 3.81Å; L1484-T1501 HydrophobicContact CD2-CG2 4.14Å; D1497-T1501 WeakPolarHBondContact O-CB 3.42Å; D1497-T1501 PolarHBondContact O-N 2.83Å; D1497-T1501 PolarHBondContact O-OG1 2.92Å; L1498-T1501 PolarHBondContact O-N 3.16Å; T1501-V1504 PolarHBondContact O-N 3.3Å; T1501-L1505 VanDerWaalsContact O-CB 3.3Å; T1501-L1505 WeakPolarHBondContact O-CB 3.32Å; T1501-L1505 PolarHBondContact O-N 3.37Å |
| 1502 | F | 86.2 | Confident | 82.8 | Confident | 26 Ų | 26 | 70 Ų | 70 | 11% | 0.114 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 176.8 | 176.7 | -93.8 | 0 | 0 | 0 | 112.8 | Q1481 L1484 M1488 L1498 M1499 L1500 L1505 R1506 | Q1481-F1502 HydrophobicContact CB-CD2 4.12Å; Q1481-F1502 HydrophobicContact CB-CE2 3.88Å; Q1481-F1502 HydrophobicContact CG-CD2 4.21Å; Q1481-F1502 HydrophobicContact CG-CE2 4.22Å; L1484-F1502 HydrophobicContact CB-CB 4.47Å; L1484-F1502 HydrophobicContact CB-CD2 4.22Å; L1484-F1502 HydrophobicContact CD1-CB 4.3Å; M1488-F1502 HydrophobicContact CE-CB 4.48Å; M1488-F1502 HydrophobicContact CE-CD2 4.39Å; M1488-F1502 HydrophobicContact CE-CG 4.27Å; L1498-F1502 VanDerWaalsContact O-CB 3.28Å; L1498-F1502 WeakPolarHBondContact O-CB 3.49Å; L1498-F1502 PolarHBondContact O-N 3.13Å; M1499-F1502 PolarHBondContact O-N 2.79Å; L1500-F1502 VanDerWaalsContact C-N 3.32Å; L1500-F1502 PolarHBondContact O-N 3.08Å; F1502-L1505 PolarHBondContact O-N 2.98Å; F1502-R1506 PolarHBondContact O-N 3.33Å |
| 1503 | Q | 88.3 | Confident | 83.1 | Confident | 111 Ų | 111 | 71.2 Ų | 71.2 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 172.6 | -74 | 179 | 11.2 | 0 | 0 | 111.5 | M1499 L1500 L1505 R1506 L1507 | M1499-Q1503 WeakPolarHBondContact O-CG 3.47Å; M1499-Q1503 PolarHBondContact O-N 3.41Å; L1500-Q1503 PolarHBondContact O-N 2.69Å; Q1503-L1505 VanDerWaalsContact C-N 3.3Å; Q1503-L1505 PolarHBondContact O-N 3.19Å; Q1503-R1506 PolarHBondContact O-N 2.88Å; Q1503-L1507 WeakPolarHBondContact O-CB 3.28Å; Q1503-L1507 PolarHBondContact O-N 2.75Å |
| 1504 | V | 86.8 | Confident | 83.1 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 19% | 0.194 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60 | -41.2 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | V1385 I1388 L1500 T1501 L1507 V1508 | V1385-V1504 HydrophobicContact CG2-CG2 4.29Å; I1388-V1504 HydrophobicContact CD1-CG1 4.1Å; I1388-V1504 HydrophobicContact CG2-CG1 4.25Å; L1500-V1504 HydrophobicContact CD2-CG2 4.14Å; L1500-V1504 WeakPolarHBondContact O-CG2 3.32Å; L1500-V1504 PolarHBondContact O-N 2.9Å; T1501-V1504 PolarHBondContact O-N 3.3Å; V1504-L1507 PolarHBondContact O-N 2.59Å; V1504-V1508 HydrophobicContact CG1-CG2 4.24Å; V1504-V1508 VanDerWaalsContact O-CB 3.32Å; V1504-V1508 WeakPolarHBondContact O-CB 3.37Å; V1504-V1508 WeakPolarHBondContact O-CG2 3.21Å; V1504-V1508 PolarHBondContact O-N 2.72Å |
| 1505 | L | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | -179.1 | -167.2 | 61 | 0 | 0 | 0 | 112.7 | L1382 I1388 L1477 E1480 Q1481 L1484 T1501 F1502 Q1503 V1508 E1509 | L1382-L1505 HydrophobicContact CD1-CD1 4.15Å; I1388-L1505 HydrophobicContact CD1-CB 4.02Å; I1388-L1505 HydrophobicContact CD1-CD1 3.99Å; I1388-L1505 HydrophobicContact CG1-CD1 4.29Å; L1477-L1505 HydrophobicContact CB-CD1 4.35Å; L1477-L1505 HydrophobicContact CD2-CD1 3.66Å; E1480-L1505 HydrophobicContact CB-CD2 3.76Å; Q1481-L1505 HydrophobicContact CB-CD2 4.36Å; Q1481-L1505 HydrophobicContact CG-CB 4.26Å; Q1481-L1505 HydrophobicContact CG-CD2 3.64Å; Q1481-L1505 HydrophobicContact CG-CG 3.86Å; L1484-L1505 HydrophobicContact CD1-CD2 3.72Å; T1501-L1505 VanDerWaalsContact O-CB 3.3Å; T1501-L1505 WeakPolarHBondContact O-CB 3.32Å; T1501-L1505 PolarHBondContact O-N 3.37Å; F1502-L1505 PolarHBondContact O-N 2.98Å; Q1503-L1505 VanDerWaalsContact C-N 3.3Å; Q1503-L1505 PolarHBondContact O-N 3.19Å; L1505-V1508 PolarHBondContact O-N 3.33Å; L1505-E1509 PolarHBondContact O-N 2.73Å |
| 1506 | R | 85.9 | Confident | 82 | Confident | 148 Ų | 148 | 63.7 Ų | 63.7 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.1 | -45.4 | 170.5 | -80.7 | -176.7 | 166.2 | -172.6 | -2.1 | 112.4 | Q1481 F1502 Q1503 V1508 E1509 G1510 | Q1481-R1506 HydrophobicContact CG-CG 4.46Å; Q1481-R1506 VanDerWaalsContact OE1-CG 3.27Å; F1502-R1506 PolarHBondContact O-N 3.33Å; Q1503-R1506 PolarHBondContact O-N 2.88Å; R1506-V1508 VanDerWaalsContact C-N 3.3Å; R1506-V1508 PolarHBondContact O-N 3.4Å; R1506-E1509 WeakPolarHBondContact O-CB 3.25Å; R1506-E1509 PolarHBondContact O-N 3.06Å; R1506-G1510 PolarHBondContact O-N 2.84Å |
| 1507 | L | 85.9 | Confident | 81.1 | Confident | 109 Ų | 109 | 57.5 Ų | 57.5 | 57% | 0.571 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 177 | -179 | 147.5 | 0 | 0 | 0 | 111.4 | Q1503 V1504 G1510 L1511 | Q1503-L1507 WeakPolarHBondContact O-CB 3.28Å; Q1503-L1507 PolarHBondContact O-N 2.75Å; V1504-L1507 PolarHBondContact O-N 2.59Å; L1507-G1510 PolarHBondContact O-N 3.25Å; L1507-L1511 HydrophobicContact CD2-CD1 3.58Å; L1507-L1511 HydrophobicContact CD2-CG 4.16Å; L1507-L1511 WeakPolarHBondContact O-CG 3.18Å; L1507-L1511 PolarHBondContact O-N 3.42Å |
| 1508 | V | 84.8 | Confident | 79.9 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 175.2 | 163.6 | 0 | 0 | 0 | 0 | 112.3 | I1388 L1392 V1504 L1505 R1506 L1512 | I1388-V1508 HydrophobicContact CG2-CG1 4.49Å; I1388-V1508 HydrophobicContact CG2-CG2 4.02Å; L1392-V1508 HydrophobicContact CD1-CG1 3.96Å; L1392-V1508 HydrophobicContact CD1-CG2 3.71Å; L1392-V1508 HydrophobicContact CD2-CG1 3.84Å; L1392-V1508 HydrophobicContact CG-CG1 4.27Å; V1504-V1508 HydrophobicContact CG1-CG2 4.24Å; V1504-V1508 VanDerWaalsContact O-CB 3.32Å; V1504-V1508 WeakPolarHBondContact O-CB 3.37Å; V1504-V1508 WeakPolarHBondContact O-CG2 3.21Å; V1504-V1508 PolarHBondContact O-N 2.72Å; L1505-V1508 PolarHBondContact O-N 3.33Å; R1506-V1508 VanDerWaalsContact C-N 3.3Å; R1506-V1508 PolarHBondContact O-N 3.4Å; V1508-L1512 HydrophobicContact CG1-CD1 3.81Å; V1508-L1512 HydrophobicContact CG1-CG 4.45Å; V1508-L1512 WeakPolarHBondContact O-CB 3.19Å; V1508-L1512 VanDerWaalsContact O-CG 3.25Å; V1508-L1512 WeakPolarHBondContact O-CG 3.27Å; V1508-L1512 PolarHBondContact O-N 3.41Å |
| 1509 | E | 84.9 | Confident | 78.5 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 172.3 | -166.4 | -167 | 151.8 | 0 | 0 | 111.6 | F1474 L1477 Q1481 L1505 R1506 L1512 K1513 | F1474-E1509 HydrophobicContact CB-CG 4.44Å; F1474-E1509 HydrophobicContact CD1-CG 4.26Å; F1474-E1509 HydrophobicContact CG-CG 4.44Å; L1477-E1509 HydrophobicContact CD1-CB 4.08Å; L1477-E1509 HydrophobicContact CD1-CG 4.18Å; Q1481-E1509 PolarHBondContact NE2-OE2 2.87Å; L1505-E1509 PolarHBondContact O-N 2.73Å; R1506-E1509 WeakPolarHBondContact O-CB 3.25Å; R1506-E1509 PolarHBondContact O-N 3.06Å; E1509-L1512 PolarHBondContact O-N 3.3Å; E1509-K1513 HydrophobicContact CG-CD 4.42Å; E1509-K1513 WeakPolarHBondContact O-CG 3.41Å; E1509-K1513 PolarHBondContact O-N 3.46Å; E1509-K1513 WeakPolarHBondContact OE1-CE 3.34Å; E1509-K1513 IonicContact OE1-NZ 3.89Å; E1509-K1513 PolarHBondContact OE1-NZ 3Å |
| 1510 | G | 82 | Confident | 77.1 | Confident | 39 Ų | 39 | 64.4 Ų | 64.4 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -52.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1506 L1507 L1512 K1513 E1514 | R1506-G1510 PolarHBondContact O-N 2.84Å; L1507-G1510 PolarHBondContact O-N 3.25Å; G1510-L1512 VanDerWaalsContact C-N 3.3Å; G1510-L1512 PolarHBondContact O-N 2.8Å; G1510-K1513 WeakPolarHBondContact O-CB 3.45Å; G1510-K1513 PolarHBondContact O-N 3.23Å; G1510-K1513 VanDerWaalsContact O-N 3.13Å; G1510-E1514 PolarHBondContact O-N 3.44Å; G1510-E1514 VanDerWaalsContact O-N 3.08Å |
| 1511 | L | 80.3 | Confident | 75.6 | Confident | 43 Ų | 43 | 61.6 Ų | 61.6 | 23% | 0.225 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.1 | -40.2 | 177.1 | -72.4 | 178.6 | 0 | 0 | 0 | 112.3 | I55 L1507 E1514 V1515 | I55-L1511 HydrophobicContact CD1-CD1 3.63Å; L1507-L1511 HydrophobicContact CD2-CD1 3.58Å; L1507-L1511 HydrophobicContact CD2-CG 4.16Å; L1507-L1511 WeakPolarHBondContact O-CG 3.18Å; L1507-L1511 PolarHBondContact O-N 3.42Å; L1511-E1514 PolarHBondContact O-N 3.49Å; L1511-V1515 WeakPolarHBondContact O-CB 3.33Å; L1511-V1515 WeakPolarHBondContact O-CG2 3.44Å; L1511-V1515 PolarHBondContact O-N 2.85Å |
| 1512 | L | 82.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.7 | -32 | 178.5 | -71.1 | 168.5 | 0 | 0 | 0 | 112.5 | I55 W1391 L1392 F1474 L1477 V1508 E1509 G1510 E1514 D1516 | I55-L1512 HydrophobicContact CG2-CD2 4.07Å; W1391-L1512 HydrophobicContact CH2-CD1 4.4Å; W1391-L1512 HydrophobicContact CZ3-CD1 3.94Å; L1392-L1512 HydrophobicContact CD2-CD1 4.08Å; L1392-L1512 HydrophobicContact CD2-CD2 4.37Å; L1392-L1512 HydrophobicContact CD2-CG 4.49Å; F1474-L1512 HydrophobicContact CE1-CB 3.85Å; L1477-L1512 HydrophobicContact CD1-CD1 3.82Å; V1508-L1512 HydrophobicContact CG1-CD1 3.81Å; V1508-L1512 HydrophobicContact CG1-CG 4.45Å; V1508-L1512 WeakPolarHBondContact O-CB 3.19Å; V1508-L1512 VanDerWaalsContact O-CG 3.25Å; V1508-L1512 WeakPolarHBondContact O-CG 3.27Å; V1508-L1512 PolarHBondContact O-N 3.41Å; E1509-L1512 PolarHBondContact O-N 3.3Å; G1510-L1512 VanDerWaalsContact C-N 3.3Å; G1510-L1512 PolarHBondContact O-N 2.8Å; L1512-E1514 VanDerWaalsContact C-N 3.33Å; L1512-D1516 WeakPolarHBondContact O-CB 3.41Å; L1512-D1516 PolarHBondContact O-N 2.97Å |
| 1513 | K | 78.7 | Confident | 72.6 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 171.2 | -76.1 | 167.5 | 172 | 172.2 | 0 | 112.4 | F1474 E1509 G1510 | F1474-K1513 HydrophobicContact CD2-CG 4.32Å; F1474-K1513 HydrophobicContact CE1-CG 3.95Å; F1474-K1513 HydrophobicContact CE2-CG 3.64Å; F1474-K1513 HydrophobicContact CZ-CB 4.29Å; F1474-K1513 HydrophobicContact CZ-CG 3.44Å; F1474-K1513 VanDerWaalsContact CZ-CG 3.44Å; E1509-K1513 HydrophobicContact CG-CD 4.42Å; E1509-K1513 WeakPolarHBondContact O-CG 3.41Å; E1509-K1513 PolarHBondContact O-N 3.46Å; E1509-K1513 WeakPolarHBondContact OE1-CE 3.34Å; E1509-K1513 IonicContact OE1-NZ 3.89Å; E1509-K1513 PolarHBondContact OE1-NZ 3Å; G1510-K1513 WeakPolarHBondContact O-CB 3.45Å; G1510-K1513 PolarHBondContact O-N 3.23Å; G1510-K1513 VanDerWaalsContact O-N 3.13Å |
| 1514 | E | 75.4 | Confident | 70.9 | Confident | 159 Ų | 159 | 63.3 Ų | 63.3 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -78.5 | -38.6 | 177.4 | -170.8 | -179.5 | -179.1 | 0 | 0 | 112.9 | G1510 L1511 L1512 | G1510-E1514 PolarHBondContact O-N 3.44Å; G1510-E1514 VanDerWaalsContact O-N 3.08Å; L1511-E1514 PolarHBondContact O-N 3.49Å; L1512-E1514 VanDerWaalsContact C-N 3.33Å |
| 1515 | V | 68.8 | Low | 69.4 | Low | 24 Ų | 24 | 63 Ų | 63 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -85.5 | -35.9 | -173.2 | 172 | 0 | 0 | 0 | 0 | 113.3 | R56 L1511 G1517 | R56-V1515 HydrophobicContact CB-CG1 3.86Å; R56-V1515 HydrophobicContact CG-CG1 3.94Å; L1511-V1515 WeakPolarHBondContact O-CB 3.33Å; L1511-V1515 WeakPolarHBondContact O-CG2 3.44Å; L1511-V1515 PolarHBondContact O-N 2.85Å; V1515-G1517 PolarHBondContact O-N 3.03Å |
| 1516 | D | 66 | Low | 67.9 | Low | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -89 | 71 | 177.6 | -78.2 | -50.6 | 0 | 0 | 0 | 112.2 | R1395 K1399 L1512 | R1395-D1516 IonicContact CZ-OD2 2.71Å; R1395-D1516 IonicContact NE-OD2 3.61Å; R1395-D1516 IonicContact NH2-OD2 3.65Å; R1395-D1516 PolarHBondContact NH2-OD2 3.33Å; K1399-D1516 IonicContact NZ-OD1 2.8Å; K1399-D1516 PolarHBondContact NZ-OD1 3.49Å; L1512-D1516 WeakPolarHBondContact O-CB 3.41Å; L1512-D1516 PolarHBondContact O-N 2.97Å |
| 1517 | G | 61 | Low | 66.8 | Low | 43 Ų | 43 | 62.2 Ų | 62.2 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | trans | -56.1 | 159.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1515 | V1515-G1517 PolarHBondContact O-N 3.03Š| ||
| 1518 | P | 56.6 | Low | 65.8 | Low | 102 Ų | 102 | 59.1 Ų | 59.1 | 66% | 0.662 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -56.6 | 148.2 | -177.9 | 25.4 | -35.3 | 0 | 0 | 0 | 111.7 | R1520 | P1518-R1520 WeakPolarHBondContact O-CG 3.42Å; P1518-R1520 PolarHBondContact O-N 2.96Å |
| 1519 | F | 53.2 | Low | 65.1 | Low | 81 Ų | 81 | 62.8 Ų | 62.8 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | trans | -61.6 | 105.2 | -164.5 | -164.6 | -130 | 0 | 0 | 0 | 113 | G1464 T1468 V1521 | G1464-F1519 WeakPolarHBondContact O-CD1 3.43Å; T1468-F1519 HydrophobicContact CG2-CB 3.95Å; T1468-F1519 VanDerWaalsContact OG1-CB 3.29Å; T1468-F1519 WeakPolarHBondContact OG1-CB 3.46Å; T1468-F1519 WeakPolarHBondContact OG1-CD2 3.38Å; T1468-F1519 WeakPolarHBondContact OG1-CG 3.42Å; F1519-V1521 HydrophobicContact CD1-CG2 3.4Å; F1519-V1521 VanDerWaalsContact CD1-CG2 3.4Å; F1519-V1521 HydrophobicContact CE1-CG2 3.65Å; F1519-V1521 HydrophobicContact CG-CG2 4.33Å; F1519-V1521 PolarHBondContact O-N 3.38Å | ||
| 1520 | R | 54.9 | Low | 64.4 | Low | 176 Ų | 176 | 63.5 Ų | 63.5 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | trans | -82.1 | 81.4 | -179.2 | -69.9 | -161.1 | -179.4 | -145.7 | 0.9 | 110.2 | P1518 L1526 | P1518-R1520 WeakPolarHBondContact O-CG 3.42Å; P1518-R1520 PolarHBondContact O-N 2.96Å; R1520-L1526 HydrophobicContact CB-CD1 3.64Å; R1520-L1526 HydrophobicContact CB-CD2 3.52Å; R1520-L1526 HydrophobicContact CB-CG 4.19Å; R1520-L1526 HydrophobicContact CG-CD2 3.79Å | ||
| 1521 | V | 54.3 | Low | 63.9 | Low | 30 Ų | 30 | 66.6 Ų | 66.6 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | trans | -70.6 | 148.7 | 172.1 | -162 | 0 | 0 | 0 | 0 | 109.9 | M1411 F1519 L1526 | M1411-V1521 HydrophobicContact CE-CG1 3.86Å; M1411-V1521 HydrophobicContact SD-CG1 3.86Å; F1519-V1521 HydrophobicContact CD1-CG2 3.4Å; F1519-V1521 VanDerWaalsContact CD1-CG2 3.4Å; F1519-V1521 HydrophobicContact CE1-CG2 3.65Å; F1519-V1521 HydrophobicContact CG-CG2 4.33Å; F1519-V1521 PolarHBondContact O-N 3.38Å; V1521-L1526 WeakPolarHBondContact O-CG 3.23Å | ||
| 1522 | C | 55.1 | Low | 63.7 | Low | 14 Ų | 14 | 65.3 Ų | 65.3 | 10% | 0.095 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 60.8 | 95.5 | 174.7 | -72.7 | 0 | 0 | 0 | 0 | 114.9 | T1412 W1524 T1525 L1526 | T1412-C1522 HydrophobicContact CG2-CB 3.78Å; C1522-W1524 PolarHBondContact O-N 3.31Å; C1522-T1525 HydrophobicContact CB-CG2 4.34Å; C1522-T1525 WeakPolarHBondContact CB-OG1 3.27Å; C1522-T1525 PolarHBondContact O-N 2.85Å; C1522-T1525 VanDerWaalsContact O-N 3.16Å; C1522-T1525 PolarHBondContact O-OG1 2.96Å; C1522-L1526 VanDerWaalsContact O-CD1 3.29Å; C1522-L1526 WeakPolarHBondContact O-CD1 3.21Å; C1522-L1526 VanDerWaalsContact O-CG 3.27Å; C1522-L1526 WeakPolarHBondContact O-CG 3.35Å |
| 1523 | G | 54.3 | Low | 63.7 | Low | 50 Ų | 50 | 69.8 Ų | 69.8 | 52% | 0.515 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | -16.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1524 | W | 51.9 | Low | 63.6 | Low | 115 Ų | 115 | 66 Ų | 66 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -31 | -176.5 | -75.9 | 67.8 | 0 | 0 | 0 | 114.2 | W69 Y1416 C1522 L1526 N1527 | W69-W1524 HydrophobicContact CB-CH2 3.9Å; W69-W1524 HydrophobicContact CB-CZ2 3.92Å; W69-W1524 AromaticContact CD1-CH2 3.74Å; W69-W1524 AromaticContact CD2-CH2 3.75Å; W69-W1524 HydrophobicContact CD2-CH2 3.75Å; W69-W1524 HydrophobicContact CD2-CZ3 4.3Å; W69-W1524 HydrophobicContact CE3-CH2 4.36Å; W69-W1524 AromaticContact CG-CH2 3.52Å; W69-W1524 HydrophobicContact CG-CH2 3.52Å; W69-W1524 HydrophobicContact CG-CZ2 4.08Å; W69-W1524 HydrophobicContact CG-CZ3 4.49Å; Y1416-W1524 WeakPolarHBondContact OH-CB 3.37Å; C1522-W1524 PolarHBondContact O-N 3.31Å; W1524-L1526 PolarHBondContact O-N 2.82Å; W1524-N1527 PolarHBondContact O-N 2.91Å |
| 1525 | T | 54.4 | Low | 63.8 | Low | 25 Ų | 25 | 60.3 Ų | 60.3 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 10.5 | 171.8 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | F1415 C1522 F1534 | F1415-T1525 HydrophobicContact CD1-CG2 3.86Å; F1415-T1525 HydrophobicContact CE1-CG2 3.61Å; F1415-T1525 HydrophobicContact CZ-CG2 4.23Å; C1522-T1525 HydrophobicContact CB-CG2 4.34Å; C1522-T1525 WeakPolarHBondContact CB-OG1 3.27Å; C1522-T1525 PolarHBondContact O-N 2.85Å; C1522-T1525 VanDerWaalsContact O-N 3.16Å; C1522-T1525 PolarHBondContact O-OG1 2.96Å; T1525-F1534 HydrophobicContact CG2-CD2 4.29Å; T1525-F1534 HydrophobicContact CG2-CE2 4.11Å |
| 1526 | L | 55.3 | Low | 64.5 | Low | 56 Ų | 56 | 64 Ų | 64 | 29% | 0.293 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -6.1 | -179.6 | -66.3 | 164.6 | 0 | 0 | 0 | 113.2 | R1520 V1521 C1522 W1524 P1528 | R1520-L1526 HydrophobicContact CB-CD1 3.64Å; R1520-L1526 HydrophobicContact CB-CD2 3.52Å; R1520-L1526 HydrophobicContact CB-CG 4.19Å; R1520-L1526 HydrophobicContact CG-CD2 3.79Å; V1521-L1526 WeakPolarHBondContact O-CG 3.23Å; C1522-L1526 VanDerWaalsContact O-CD1 3.29Å; C1522-L1526 WeakPolarHBondContact O-CD1 3.21Å; C1522-L1526 VanDerWaalsContact O-CG 3.27Å; C1522-L1526 WeakPolarHBondContact O-CG 3.35Å; W1524-L1526 PolarHBondContact O-N 2.82Å; L1526-P1528 WeakPolarHBondContact O-CD 3.35Å |
| 1527 | N | 63 | Low | 65.4 | Low | 76 Ų | 76 | 65.4 Ų | 65.4 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -68.8 | 118.3 | 157 | 178.9 | -15.3 | 0 | 0 | 0 | 106.4 | W1524 L1529 V1530 Y1531 | W1524-N1527 PolarHBondContact O-N 2.91Å; N1527-L1529 PolarHBondContact O-N 2.84Å; N1527-L1529 WeakPolarHBondContact OD1-CB 3.48Å; N1527-L1529 PolarHBondContact OD1-N 3.23Å; N1527-L1529 VanDerWaalsContact OD1-N 3.08Å; N1527-V1530 HydrophobicContact CB-CB 4.07Å; N1527-V1530 HydrophobicContact CB-CG2 3.84Å; N1527-V1530 WeakPolarHBondContact O-CB 3.36Å; N1527-V1530 PolarHBondContact O-N 3.42Å; N1527-Y1531 PolarHBondContact O-N 2.9Å |
| 1528 | P | 65.3 | Low | 66.4 | Low | 43 Ų | 43 | 66.7 Ų | 66.7 | 28% | 0.279 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -33.9 | -176.2 | 19.5 | -29.6 | 0 | 0 | 0 | 112.4 | L1526 V1530 Y1531 N1532 N1565 W1566 | L1526-P1528 WeakPolarHBondContact O-CD 3.35Å; P1528-V1530 PolarHBondContact O-N 3.06Å; P1528-Y1531 PolarHBondContact O-N 2.95Å; P1528-N1532 VanDerWaalsContact O-CB 3.29Å; P1528-N1532 WeakPolarHBondContact O-CB 3.33Å; P1528-N1532 PolarHBondContact O-N 3.2Å; P1528-N1532 PolarHBondContact O-ND2 3.03Å; P1528-N1532 VanDerWaalsContact O-ND2 3.12Å; P1528-N1565 WeakPolarHBondContact CB-O 3.26Å; P1528-W1566 VanDerWaalsContact CG-O 3.26Å; P1528-W1566 WeakPolarHBondContact CG-O 3.3Å |
| 1529 | L | 69.5 | Low | 67.6 | Low | 80 Ų | 80 | 62.4 Ų | 62.4 | 42% | 0.419 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 173.8 | -57.3 | 176.5 | 0 | 0 | 0 | 110.9 | N1527 N1532 I1533 W1566 | N1527-L1529 PolarHBondContact O-N 2.84Å; N1527-L1529 WeakPolarHBondContact OD1-CB 3.48Å; N1527-L1529 PolarHBondContact OD1-N 3.23Å; N1527-L1529 VanDerWaalsContact OD1-N 3.08Å; L1529-N1532 PolarHBondContact O-N 3.2Å; L1529-I1533 WeakPolarHBondContact O-CB 3.38Å; L1529-I1533 WeakPolarHBondContact O-CD1 3.46Å; L1529-I1533 WeakPolarHBondContact O-CG1 3.4Å; L1529-I1533 PolarHBondContact O-N 2.95Å; L1529-W1566 HydrophobicContact CD2-CD2 4.37Å; L1529-W1566 HydrophobicContact CD2-CE3 3.49Å; L1529-W1566 VanDerWaalsContact CD2-CE3 3.49Å; L1529-W1566 HydrophobicContact CD2-CH2 4.15Å; L1529-W1566 HydrophobicContact CD2-CZ3 3.36Å |
| 1530 | V | 70.3 | Confident | 69.1 | Low | 37 Ų | 37 | 61.5 Ų | 61.5 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | -179.1 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | N1527 P1528 F1534 | N1527-V1530 HydrophobicContact CB-CB 4.07Å; N1527-V1530 HydrophobicContact CB-CG2 3.84Å; N1527-V1530 WeakPolarHBondContact O-CB 3.36Å; N1527-V1530 PolarHBondContact O-N 3.42Å; P1528-V1530 PolarHBondContact O-N 3.06Å; V1530-F1534 HydrophobicContact CG1-CD2 3.74Å; V1530-F1534 HydrophobicContact CG1-CE2 3.24Å; V1530-F1534 HydrophobicContact CG1-CZ 3.7Å; V1530-F1534 WeakPolarHBondContact O-CB 3.47Å; V1530-F1534 WeakPolarHBondContact O-CD2 3.4Å; V1530-F1534 VanDerWaalsContact O-CG 3.31Å; V1530-F1534 WeakPolarHBondContact O-CG 3.42Å; V1530-F1534 PolarHBondContact O-N 2.97Å |
| 1531 | Y | 71.1 | Confident | 70.4 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 173.2 | -178.9 | -104.9 | 0 | 0 | 0 | 112.2 | N1527 P1528 F1534 K1535 | N1527-Y1531 PolarHBondContact O-N 2.9Å; P1528-Y1531 PolarHBondContact O-N 2.95Å; Y1531-F1534 PolarHBondContact O-N 3.48Å; Y1531-K1535 HydrophobicContact CE1-CD 4Å; Y1531-K1535 WeakPolarHBondContact O-CB 3.4Å; Y1531-K1535 PolarHBondContact O-N 3.01Å |
| 1532 | N | 77.2 | Confident | 71.7 | Confident | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 179.7 | -69 | -27.3 | 0 | 0 | 0 | 111.5 | P1528 L1529 L1536 N1565 W1566 | P1528-N1532 VanDerWaalsContact O-CB 3.29Å; P1528-N1532 WeakPolarHBondContact O-CB 3.33Å; P1528-N1532 PolarHBondContact O-N 3.2Å; P1528-N1532 PolarHBondContact O-ND2 3.03Å; P1528-N1532 VanDerWaalsContact O-ND2 3.12Å; L1529-N1532 PolarHBondContact O-N 3.2Å; N1532-L1536 VanDerWaalsContact O-CB 3.24Å; N1532-L1536 WeakPolarHBondContact O-CB 3.12Å; N1532-L1536 PolarHBondContact O-N 2.95Å; N1532-N1565 PolarHBondContact ND2-O 3.09Å; N1532-W1566 PolarHBondContact ND2-NE1 3.22Å |
| 1533 | I | 81 | Confident | 73 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -51.5 | 173 | -69.7 | 162.1 | 0 | 0 | 0 | 110.6 | L1529 K1535 L1536 V1537 | L1529-I1533 WeakPolarHBondContact O-CB 3.38Å; L1529-I1533 WeakPolarHBondContact O-CD1 3.46Å; L1529-I1533 WeakPolarHBondContact O-CG1 3.4Å; L1529-I1533 PolarHBondContact O-N 2.95Å; I1533-K1535 VanDerWaalsContact C-N 3.3Å; I1533-K1535 PolarHBondContact O-N 3.12Å; I1533-L1536 PolarHBondContact O-N 3.46Å; I1533-V1537 HydrophobicContact CG2-CG2 4.27Å; I1533-V1537 WeakPolarHBondContact O-CB 3.34Å; I1533-V1537 WeakPolarHBondContact O-CG2 3.48Å; I1533-V1537 PolarHBondContact O-N 3.08Å |
| 1534 | F | 77.1 | Confident | 74.4 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 17% | 0.167 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.9 | -68.8 | -30 | 0 | 0 | 0 | 112.6 | F1415 Y1416 F1419 T1525 V1530 Y1531 L1538 | F1415-F1534 HydrophobicContact CE1-CD2 4.08Å; F1415-F1534 HydrophobicContact CE1-CE2 4.13Å; F1415-F1534 HydrophobicContact CZ-CD2 4.49Å; Y1416-F1534 HydrophobicContact CE1-CE2 4.3Å; Y1416-F1534 AromaticContact CE1-CZ 3.88Å; Y1416-F1534 HydrophobicContact CE1-CZ 3.88Å; F1419-F1534 HydrophobicContact CD1-CD1 4.33Å; F1419-F1534 HydrophobicContact CD1-CE1 4.16Å; F1419-F1534 HydrophobicContact CD2-CD1 4.49Å; F1419-F1534 AromaticContact CE1-CD1 3.62Å; F1419-F1534 HydrophobicContact CE1-CD1 3.62Å; F1419-F1534 AromaticContact CE1-CE1 3.63Å; F1419-F1534 HydrophobicContact CE1-CE1 3.63Å; F1419-F1534 HydrophobicContact CE2-CB 4.16Å; F1419-F1534 AromaticContact CE2-CD1 3.81Å; F1419-F1534 HydrophobicContact CE2-CD1 3.81Å; F1419-F1534 HydrophobicContact CE2-CG 4.18Å; F1419-F1534 HydrophobicContact CZ-CB 4.43Å; F1419-F1534 AromaticContact CZ-CD1 3.32Å; F1419-F1534 HydrophobicContact CZ-CD1 3.32Å; F1419-F1534 AromaticContact CZ-CE1 3.87Å; F1419-F1534 HydrophobicContact CZ-CE1 3.87Å; F1419-F1534 HydrophobicContact CZ-CG 4.14Å; T1525-F1534 HydrophobicContact CG2-CD2 4.29Å; T1525-F1534 HydrophobicContact CG2-CE2 4.11Å; V1530-F1534 HydrophobicContact CG1-CD2 3.74Å; V1530-F1534 HydrophobicContact CG1-CE2 3.24Å; V1530-F1534 HydrophobicContact CG1-CZ 3.7Å; V1530-F1534 WeakPolarHBondContact O-CB 3.47Å; V1530-F1534 WeakPolarHBondContact O-CD2 3.4Å; V1530-F1534 VanDerWaalsContact O-CG 3.31Å; V1530-F1534 WeakPolarHBondContact O-CG 3.42Å; V1530-F1534 PolarHBondContact O-N 2.97Å; Y1531-F1534 PolarHBondContact O-N 3.48Å; F1534-L1538 WeakPolarHBondContact O-CB 3.43Å; F1534-L1538 PolarHBondContact O-N 2.96Å |
| 1535 | K | 79.9 | Confident | 75.9 | Confident | 40 Ų | 40 | 51.5 Ų | 51.5 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -41 | 175.5 | -175.9 | 169.6 | 179.4 | 176.3 | 0 | 111.9 | D537 Y1531 I1533 L1539 | D537-K1535 IonicContact OD1-NZ 2.78Å; D537-K1535 PolarHBondContact OD1-NZ 3.34Å; D537-K1535 IonicContact OD2-NZ 3.96Å; D537-K1535 PolarHBondContact OD2-NZ 3.19Å; Y1531-K1535 HydrophobicContact CE1-CD 4Å; Y1531-K1535 WeakPolarHBondContact O-CB 3.4Å; Y1531-K1535 PolarHBondContact O-N 3.01Å; I1533-K1535 VanDerWaalsContact C-N 3.3Å; I1533-K1535 PolarHBondContact O-N 3.12Å; K1535-L1539 HydrophobicContact CG-CD1 3.78Å; K1535-L1539 HydrophobicContact CG-CG 4.48Å; K1535-L1539 VanDerWaalsContact O-CB 3.23Å; K1535-L1539 WeakPolarHBondContact O-CB 3.47Å; K1535-L1539 WeakPolarHBondContact O-CD1 3.38Å; K1535-L1539 WeakPolarHBondContact O-CG 3.38Å; K1535-L1539 PolarHBondContact O-N 2.91Å |
| 1536 | L | 82.4 | Confident | 77.1 | Confident | 100 Ų | 100 | 53.1 Ų | 53.1 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -50.8 | 175.9 | -174.6 | 160.4 | 0 | 0 | 0 | 111.1 | N1532 I1533 L1539 S1540 | N1532-L1536 VanDerWaalsContact O-CB 3.24Å; N1532-L1536 WeakPolarHBondContact O-CB 3.12Å; N1532-L1536 PolarHBondContact O-N 2.95Å; I1533-L1536 PolarHBondContact O-N 3.46Å; L1536-L1539 PolarHBondContact O-N 2.96Å; L1536-S1540 VanDerWaalsContact O-CB 3.24Å; L1536-S1540 WeakPolarHBondContact O-CB 3.49Å; L1536-S1540 PolarHBondContact O-N 3.32Å |
| 1537 | V | 85.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 179.8 | 173 | 0 | 0 | 0 | 0 | 110.8 | F1419 L1423 I1533 S1540 C1541 | F1419-V1537 HydrophobicContact CZ-CG1 4.22Å; L1423-V1537 HydrophobicContact CD1-CG1 3.9Å; L1423-V1537 HydrophobicContact CD2-CG1 3.98Å; I1533-V1537 HydrophobicContact CG2-CG2 4.27Å; I1533-V1537 WeakPolarHBondContact O-CB 3.34Å; I1533-V1537 WeakPolarHBondContact O-CG2 3.48Å; I1533-V1537 PolarHBondContact O-N 3.08Å; V1537-S1540 PolarHBondContact O-N 2.8Å; V1537-C1541 WeakPolarHBondContact O-CB 3.47Å; V1537-C1541 PolarHBondContact O-N 3.33Å |
| 1538 | L | 82.3 | Confident | 79.3 | Confident | 70 Ų | 70 | 52.1 Ų | 52.1 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.6 | -176.5 | 65.4 | 0 | 0 | 0 | 112 | F1534 C1541 V1542 | F1534-L1538 WeakPolarHBondContact O-CB 3.43Å; F1534-L1538 PolarHBondContact O-N 2.96Å; L1538-C1541 PolarHBondContact O-N 2.87Å; L1538-V1542 HydrophobicContact CD1-CG2 4.17Å; L1538-V1542 HydrophobicContact CG-CG2 4.42Å; L1538-V1542 VanDerWaalsContact O-CB 3.3Å; L1538-V1542 WeakPolarHBondContact O-CB 3.45Å; L1538-V1542 VanDerWaalsContact O-CG2 3.24Å; L1538-V1542 WeakPolarHBondContact O-CG2 3.06Å; L1538-V1542 PolarHBondContact O-N 3.32Å |
| 1539 | L | 80.9 | Confident | 79.8 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.2 | -34.1 | 179.7 | -71.8 | 171.8 | 0 | 0 | 0 | 112.7 | F536 K1535 L1536 S1543 L1556 L1559 | F536-L1539 HydrophobicContact CD2-CD2 3.88Å; F536-L1539 HydrophobicContact CE2-CD2 4.21Å; K1535-L1539 HydrophobicContact CG-CD1 3.78Å; K1535-L1539 HydrophobicContact CG-CG 4.48Å; K1535-L1539 VanDerWaalsContact O-CB 3.23Å; K1535-L1539 WeakPolarHBondContact O-CB 3.47Å; K1535-L1539 WeakPolarHBondContact O-CD1 3.38Å; K1535-L1539 WeakPolarHBondContact O-CG 3.38Å; K1535-L1539 PolarHBondContact O-N 2.91Å; L1536-L1539 PolarHBondContact O-N 2.96Å; L1539-S1543 VanDerWaalsContact O-CB 3.24Å; L1539-S1543 WeakPolarHBondContact O-CB 3.36Å; L1539-S1543 PolarHBondContact O-N 2.92Å; L1539-S1543 PolarHBondContact O-OG 3.09Å; L1539-L1556 HydrophobicContact CB-CD2 4.26Å; L1539-L1559 HydrophobicContact CB-CD1 4.35Å; L1539-L1559 HydrophobicContact CD1-CD1 3.92Å; L1539-L1559 HydrophobicContact CD1-CD2 3.67Å; L1539-L1559 HydrophobicContact CD1-CG 4.34Å |
| 1540 | S | 84.9 | Confident | 80.3 | Confident | 63 Ų | 63 | 53.8 Ų | 53.8 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.8 | -50.4 | 171.5 | -178 | 0 | 0 | 0 | 0 | 111 | L1536 V1537 V1542 S1543 T1544 | L1536-S1540 VanDerWaalsContact O-CB 3.24Å; L1536-S1540 WeakPolarHBondContact O-CB 3.49Å; L1536-S1540 PolarHBondContact O-N 3.32Å; V1537-S1540 PolarHBondContact O-N 2.8Å; S1540-V1542 PolarHBondContact O-N 3.35Å; S1540-S1543 PolarHBondContact O-N 3.19Å; S1540-S1543 VanDerWaalsContact O-N 3.08Å; S1540-S1543 PolarHBondContact O-OG 2.99Å; S1540-T1544 PolarHBondContact O-N 3.23Å; S1540-T1544 PolarHBondContact O-OG1 3.26Å |
| 1541 | C | 83.7 | Confident | 80.5 | Confident | 21 Ų | 21 | 55 Ų | 55 | 14% | 0.142 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | -178.1 | -162.6 | 0 | 0 | 0 | 0 | 112.5 | L1423 C1426 V1537 L1538 T1544 L1545 | L1423-C1541 HydrophobicContact CD2-CB 4.16Å; C1426-C1541 WeakPolarHBondContact CB-SG 3.26Å; V1537-C1541 WeakPolarHBondContact O-CB 3.47Å; V1537-C1541 PolarHBondContact O-N 3.33Å; L1538-C1541 PolarHBondContact O-N 2.87Å; C1541-T1544 PolarHBondContact O-OG1 3.25Å; C1541-L1545 WeakPolarHBondContact O-CG 3.28Å; C1541-L1545 PolarHBondContact O-N 3.44Å |
| 1542 | V | 81.1 | Confident | 80.8 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.4 | -33.7 | 170.3 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L1538 S1540 L1546 | L1538-V1542 HydrophobicContact CD1-CG2 4.17Å; L1538-V1542 HydrophobicContact CG-CG2 4.42Å; L1538-V1542 VanDerWaalsContact O-CB 3.3Å; L1538-V1542 WeakPolarHBondContact O-CB 3.45Å; L1538-V1542 VanDerWaalsContact O-CG2 3.24Å; L1538-V1542 WeakPolarHBondContact O-CG2 3.06Å; L1538-V1542 PolarHBondContact O-N 3.32Å; S1540-V1542 PolarHBondContact O-N 3.35Å; V1542-L1546 HydrophobicContact CG1-CD1 3.69Å; V1542-L1546 HydrophobicContact CG1-CG 4.16Å; V1542-L1546 VanDerWaalsContact O-CB 3.31Å; V1542-L1546 WeakPolarHBondContact O-CB 3.42Å; V1542-L1546 VanDerWaalsContact O-CG 3.26Å; V1542-L1546 WeakPolarHBondContact O-CG 3.31Å; V1542-L1546 PolarHBondContact O-N 2.85Å |
| 1543 | S | 82.8 | Confident | 80.7 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 17% | 0.168 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.5 | -32.7 | 178.3 | 73.9 | 0 | 0 | 0 | 0 | 113.5 | L1539 S1540 S1547 L1556 | L1539-S1543 VanDerWaalsContact O-CB 3.24Å; L1539-S1543 WeakPolarHBondContact O-CB 3.36Å; L1539-S1543 PolarHBondContact O-N 2.92Å; L1539-S1543 PolarHBondContact O-OG 3.09Å; S1540-S1543 PolarHBondContact O-N 3.19Å; S1540-S1543 VanDerWaalsContact O-N 3.08Å; S1540-S1543 PolarHBondContact O-OG 2.99Å; S1543-S1547 WeakPolarHBondContact O-CB 3.36Å; S1543-S1547 PolarHBondContact O-N 3.16Å; S1543-L1556 VanDerWaalsContact CB-CD1 3.4Å |
| 1544 | T | 83.6 | Confident | 80.1 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 31% | 0.307 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -50.6 | 170.4 | 52 | 0 | 0 | 0 | 0 | 110.5 | S1540 C1541 L1546 S1547 E1548 | S1540-T1544 PolarHBondContact O-N 3.23Å; S1540-T1544 PolarHBondContact O-OG1 3.26Å; C1541-T1544 PolarHBondContact O-OG1 3.25Å; T1544-L1546 PolarHBondContact O-N 3.45Å; T1544-S1547 PolarHBondContact O-N 2.86Å; T1544-S1547 VanDerWaalsContact O-N 3.12Å; T1544-E1548 WeakPolarHBondContact O-CB 3.44Å; T1544-E1548 PolarHBondContact O-N 3.4Å |
| 1545 | L | 81.7 | Confident | 79.4 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 177.8 | -72.8 | 177.5 | 0 | 0 | 0 | 113.4 | C1426 L1429 C1541 S1549 | C1426-L1545 HydrophobicContact CB-CD1 3.65Å; C1426-L1545 HydrophobicContact CB-CG 4.48Å; C1426-L1545 VanDerWaalsContact SG-CD1 3.5Å; L1429-L1545 HydrophobicContact CB-CD2 3.56Å; L1429-L1545 HydrophobicContact CD1-CD2 4.44Å; C1541-L1545 WeakPolarHBondContact O-CG 3.28Å; C1541-L1545 PolarHBondContact O-N 3.44Å; L1545-S1549 VanDerWaalsContact O-CB 3.25Å; L1545-S1549 WeakPolarHBondContact O-CB 3.16Å; L1545-S1549 PolarHBondContact O-N 2.9Å; L1545-S1549 PolarHBondContact O-OG 3.27Å |
| 1546 | L | 79.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -35.5 | 176 | -71.5 | 174.9 | 0 | 0 | 0 | 112 | V1542 T1544 E1548 L1550 L1554 | V1542-L1546 HydrophobicContact CG1-CD1 3.69Å; V1542-L1546 HydrophobicContact CG1-CG 4.16Å; V1542-L1546 VanDerWaalsContact O-CB 3.31Å; V1542-L1546 WeakPolarHBondContact O-CB 3.42Å; V1542-L1546 VanDerWaalsContact O-CG 3.26Å; V1542-L1546 WeakPolarHBondContact O-CG 3.31Å; V1542-L1546 PolarHBondContact O-N 2.85Å; T1544-L1546 PolarHBondContact O-N 3.45Å; L1546-E1548 VanDerWaalsContact C-N 3.32Å; L1546-L1550 HydrophobicContact CB-CD1 4.49Å; L1546-L1550 HydrophobicContact CD2-CD1 4.29Å; L1546-L1550 VanDerWaalsContact O-CB 3.22Å; L1546-L1550 WeakPolarHBondContact O-CB 3.41Å; L1546-L1550 WeakPolarHBondContact O-CG 3.46Å; L1546-L1550 PolarHBondContact O-N 3.41Å; L1546-L1550 VanDerWaalsContact O-N 3.07Å; L1546-L1554 HydrophobicContact CB-CD1 3.47Å; L1546-L1554 VanDerWaalsContact CB-CD1 3.47Å; L1546-L1554 HydrophobicContact CD1-CD1 4.3Å |
| 1547 | S | 84.7 | Confident | 77.2 | Confident | 33 Ų | 33 | 75.4 Ų | 75.4 | 23% | 0.231 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.6 | -32.5 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | S1543 T1544 G1551 F1552 K1553 | S1543-S1547 WeakPolarHBondContact O-CB 3.36Å; S1543-S1547 PolarHBondContact O-N 3.16Å; T1544-S1547 PolarHBondContact O-N 2.86Å; T1544-S1547 VanDerWaalsContact O-N 3.12Å; S1547-G1551 CarbonylContact O-C 3.44Å; S1547-G1551 VanDerWaalsContact O-CA 3.31Å; S1547-G1551 WeakPolarHBondContact O-CA 3.48Å; S1547-G1551 PolarHBondContact O-N 2.96Å; S1547-F1552 WeakPolarHBondContact CA-O 3.45Å; S1547-F1552 PolarHBondContact OG-O 2.87Å; S1547-K1553 WeakPolarHBondContact OG-CA 3.46Å |
| 1548 | E | 80.7 | Confident | 75.8 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -81.2 | -48.9 | 177.2 | -175.9 | -178.4 | -177 | 0 | 0 | 111.4 | L1430 T1544 L1546 L1550 G1551 | L1430-E1548 WeakPolarHBondContact CD1-OE2 3.28Å; T1544-E1548 WeakPolarHBondContact O-CB 3.44Å; T1544-E1548 PolarHBondContact O-N 3.4Å; L1546-E1548 VanDerWaalsContact C-N 3.32Å; E1548-L1550 VanDerWaalsContact C-N 3.33Å; E1548-L1550 PolarHBondContact O-N 3.26Å; E1548-G1551 PolarHBondContact O-N 3.08Å |
| 1549 | S | 76.1 | Confident | 74.6 | Confident | 61 Ų | 61 | 82.1 Ų | 82.1 | 43% | 0.427 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.3 | -30.1 | -177.7 | 57.4 | 0 | 0 | 0 | 0 | 114 | L1545 | L1545-S1549 VanDerWaalsContact O-CB 3.25Å; L1545-S1549 WeakPolarHBondContact O-CB 3.16Å; L1545-S1549 PolarHBondContact O-N 2.9Å; L1545-S1549 PolarHBondContact O-OG 3.27Å |
| 1550 | L | 79.6 | Confident | 73.1 | Confident | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -101.7 | -5.8 | 177.2 | -54.6 | 174.3 | 0 | 0 | 0 | 113.7 | L1546 E1548 F1552 | L1546-L1550 HydrophobicContact CB-CD1 4.49Å; L1546-L1550 HydrophobicContact CD2-CD1 4.29Å; L1546-L1550 VanDerWaalsContact O-CB 3.22Å; L1546-L1550 WeakPolarHBondContact O-CB 3.41Å; L1546-L1550 WeakPolarHBondContact O-CG 3.46Å; L1546-L1550 PolarHBondContact O-N 3.41Å; L1546-L1550 VanDerWaalsContact O-N 3.07Å; E1548-L1550 VanDerWaalsContact C-N 3.33Å; E1548-L1550 PolarHBondContact O-N 3.26Å; L1550-F1552 WeakPolarHBondContact O-CD2 3.44Å; L1550-F1552 PolarHBondContact O-N 3.43Å |
| 1551 | G | 74.5 | Confident | 71.6 | Confident | 63 Ų | 63 | 92.2 Ų | 92.2 | 65% | 0.649 | 46% | 0.462 | S | S | * | . | trans | 70 | -15.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1547 E1548 | S1547-G1551 CarbonylContact O-C 3.44Å; S1547-G1551 VanDerWaalsContact O-CA 3.31Å; S1547-G1551 WeakPolarHBondContact O-CA 3.48Å; S1547-G1551 PolarHBondContact O-N 2.96Å; E1548-G1551 PolarHBondContact O-N 3.08Å | ||
| 1552 | F | 76.5 | Confident | 70.1 | Confident | 165 Ų | 165 | 95.7 Ų | 95.7 | 72% | 0.724 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -91.7 | 126.2 | -177.4 | -63.8 | -74.1 | 0 | 0 | 0 | 113 | S1547 L1550 L1554 | S1547-F1552 WeakPolarHBondContact CA-O 3.45Å; S1547-F1552 PolarHBondContact OG-O 2.87Å; L1550-F1552 WeakPolarHBondContact O-CD2 3.44Å; L1550-F1552 PolarHBondContact O-N 3.43Å; F1552-L1554 PolarHBondContact O-N 3.37Å |
| 1553 | K | 76.1 | Confident | 68.7 | Low | 182 Ų | 182 | 96.9 Ų | 96.9 | 79% | 0.791 | 49% | 0.488 | S | S | * | . | trans | -67.3 | 86.6 | -179.6 | -167.6 | 165.7 | -172.9 | 165 | 0 | 113.1 | S1547 K1555 | S1547-K1553 WeakPolarHBondContact OG-CA 3.46Å; K1553-K1555 PolarHBondContact O-N 3.29Å | ||
| 1554 | L | 67.4 | Low | 67.3 | Low | 76 Ų | 76 | 99.5 Ų | 99.5 | 40% | 0.398 | 51% | 0.506 | S | S | . | . | trans | -65.2 | 86 | 177.4 | -77.7 | 167.1 | 0 | 0 | 0 | 112.3 | L1546 F1552 L1556 | L1546-L1554 HydrophobicContact CB-CD1 3.47Å; L1546-L1554 VanDerWaalsContact CB-CD1 3.47Å; L1546-L1554 HydrophobicContact CD1-CD1 4.3Å; F1552-L1554 PolarHBondContact O-N 3.37Å; L1554-L1556 HydrophobicContact CB-CD1 4.31Å; L1554-L1556 VanDerWaalsContact O-CD1 3.32Å; L1554-L1556 WeakPolarHBondContact O-CD1 3.26Å; L1554-L1556 PolarHBondContact O-N 2.91Å; L1554-L1556 VanDerWaalsContact O-N 3.17Å | ||
| 1555 | K | 63.4 | Low | 65.6 | Low | 151 Ų | 151 | 102.2 Ų | 102.2 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | trans | -69.2 | 104.6 | 172.3 | -59.7 | 176.6 | -178.6 | 176.2 | 0 | 110.4 | K1553 Y1557 | K1553-K1555 PolarHBondContact O-N 3.29Å; K1555-Y1557 HydrophobicContact CB-CD1 3.5Å; K1555-Y1557 VanDerWaalsContact CB-CD1 3.5Å; K1555-Y1557 HydrophobicContact CB-CE1 3.83Å; K1555-Y1557 HydrophobicContact CD-CD1 4.33Å; K1555-Y1557 HydrophobicContact CD-CE1 4.46Å; K1555-Y1557 VanDerWaalsContact O-CD1 3.25Å; K1555-Y1557 WeakPolarHBondContact O-CD1 3.48Å; K1555-Y1557 PolarHBondContact O-N 3.48Å | ||
| 1556 | L | 61.4 | Low | 63.4 | Low | 49 Ų | 49 | 109.3 Ų | 109.3 | 26% | 0.257 | 54% | 0.543 | S | S | . | . | trans | -76.4 | 54.2 | 175.5 | -87.9 | 75.1 | 0 | 0 | 0 | 113.4 | L1539 S1543 L1554 K1558 L1559 | L1539-L1556 HydrophobicContact CB-CD2 4.26Å; S1543-L1556 VanDerWaalsContact CB-CD1 3.4Å; L1554-L1556 HydrophobicContact CB-CD1 4.31Å; L1554-L1556 VanDerWaalsContact O-CD1 3.32Å; L1554-L1556 WeakPolarHBondContact O-CD1 3.26Å; L1554-L1556 PolarHBondContact O-N 2.91Å; L1554-L1556 VanDerWaalsContact O-N 3.17Å; L1556-K1558 PolarHBondContact O-N 3.42Å; L1556-L1559 HydrophobicContact CD2-CD1 3.92Å | ||
| 1557 | Y | 54.9 | Low | 62.6 | Low | 200 Ų | 200 | 111.9 Ų | 111.9 | 78% | 0.784 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 20.6 | -177.5 | 50.6 | -115.9 | 0 | 0 | 0 | 115.7 | K1555 | K1555-Y1557 HydrophobicContact CB-CD1 3.5Å; K1555-Y1557 VanDerWaalsContact CB-CD1 3.5Å; K1555-Y1557 HydrophobicContact CB-CE1 3.83Å; K1555-Y1557 HydrophobicContact CD-CD1 4.33Å; K1555-Y1557 HydrophobicContact CD-CE1 4.46Å; K1555-Y1557 VanDerWaalsContact O-CD1 3.25Å; K1555-Y1557 WeakPolarHBondContact O-CD1 3.48Å; K1555-Y1557 PolarHBondContact O-N 3.48Å |
| 1558 | K | 55.3 | Low | 61.4 | Low | 185 Ų | 185 | 116 Ų | 116 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.9 | 18.6 | -174.5 | -138.8 | 167 | -173.9 | 171.6 | 0 | 115.9 | L1556 K1560 | L1556-K1558 PolarHBondContact O-N 3.42Å; K1558-K1560 PolarHBondContact O-N 3.02Å |
| 1559 | L | 57.2 | Low | 60.4 | Low | 78 Ų | 78 | 118.1 Ų | 118.1 | 41% | 0.408 | 58% | 0.584 | S | S | . | * | trans | -72.5 | 75.4 | 170.1 | -92.8 | 167.4 | 0 | 0 | 0 | 111.4 | L1539 L1556 L1561 | L1539-L1559 HydrophobicContact CB-CD1 4.35Å; L1539-L1559 HydrophobicContact CD1-CD1 3.92Å; L1539-L1559 HydrophobicContact CD1-CD2 3.67Å; L1539-L1559 HydrophobicContact CD1-CG 4.34Å; L1556-L1559 HydrophobicContact CD2-CD1 3.92Å; L1559-L1561 VanDerWaalsContact C-N 3.25Å; L1559-L1561 PolarHBondContact O-N 3.03Å | ||
| 1560 | K | 49.5 | Very low | 59.4 | Low | 197 Ų | 197 | 121.5 Ų | 121.5 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | trans | -74.1 | 78.2 | 177.7 | -159.9 | 167.1 | -171.2 | 173.7 | 0 | 110 | K1558 N1562 | K1558-K1560 PolarHBondContact O-N 3.02Å; K1560-N1562 PolarHBondContact O-N 3.41Å | ||
| 1561 | L | 53.9 | Low | 58.2 | Low | 88 Ų | 88 | 123 Ų | 123 | 46% | 0.461 | 60% | 0.598 | S | S | . | * | trans | -51.2 | 107 | 172.4 | -74 | 171.4 | 0 | 0 | 0 | 109 | L1559 P1563 | L1559-L1561 VanDerWaalsContact C-N 3.25Å; L1559-L1561 PolarHBondContact O-N 3.03Å; L1561-P1563 VanDerWaalsContact O-CD 3.28Å; L1561-P1563 WeakPolarHBondContact O-CD 3.38Å | ||
| 1562 | N | 52.5 | Low | 57.1 | Low | 94 Ų | 94 | 127 Ų | 127 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | trans | -82.1 | 114.9 | -173.9 | -169.5 | -16.7 | 0 | 0 | 0 | 109.3 | K1560 S1564 N1565 | K1560-N1562 PolarHBondContact O-N 3.41Å; N1562-S1564 PolarHBondContact ND2-OG 3.16Å; N1562-S1564 PolarHBondContact O-N 3.32Å; N1562-S1564 PolarHBondContact OD1-N 3.11Å; N1562-S1564 PolarHBondContact OD1-OG 3.46Å; N1562-N1565 PolarHBondContact O-N 2.82Å | ||
| 1563 | P | 52.2 | Low | 55.7 | Low | 73 Ų | 73 | 124.3 Ų | 124.3 | 47% | 0.474 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | 21.7 | -176.3 | 33.9 | -38 | 0 | 0 | 0 | 113.5 | R783 L1561 | R783-P1563 PolarHBondContact NH2-O 2.99Å; L1561-P1563 VanDerWaalsContact O-CD 3.28Å; L1561-P1563 WeakPolarHBondContact O-CD 3.38Å |
| 1564 | S | 52 | Low | 54.1 | Low | 78 Ų | 78 | 119.8 Ų | 119.8 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.8 | -10.7 | 164.7 | 54.4 | 0 | 0 | 0 | 0 | 112.8 | N1562 W1566 | N1562-S1564 PolarHBondContact ND2-OG 3.16Å; N1562-S1564 PolarHBondContact O-N 3.32Å; N1562-S1564 PolarHBondContact OD1-N 3.11Å; N1562-S1564 PolarHBondContact OD1-OG 3.46Å; S1564-W1566 VanDerWaalsContact C-N 3.34Å |
| 1565 | N | 47.7 | Very low | 53 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 57% | 0.572 | 58% | 0.584 | S | S | * | * | trans | -99 | 36.8 | 168.1 | -77.5 | -18.8 | 0 | 0 | 0 | 111.2 | P1528 N1532 N1562 | P1528-N1565 WeakPolarHBondContact CB-O 3.26Å; N1532-N1565 PolarHBondContact ND2-O 3.09Å; N1562-N1565 PolarHBondContact O-N 2.82Å | ||
| 1566 | W | 36.7 | Very low | 52.1 | Low | 182 Ų | 182 | 121 Ų | 121 | 69% | 0.689 | 58% | 0.578 | S | S | * | * | trans | -129.4 | 0 | 175.4 | -71.2 | 62 | 0 | 0 | 0 | 107.9 | P1528 L1529 N1532 S1564 | P1528-W1566 VanDerWaalsContact CG-O 3.26Å; P1528-W1566 WeakPolarHBondContact CG-O 3.3Å; L1529-W1566 HydrophobicContact CD2-CD2 4.37Å; L1529-W1566 HydrophobicContact CD2-CE3 3.49Å; L1529-W1566 VanDerWaalsContact CD2-CE3 3.49Å; L1529-W1566 HydrophobicContact CD2-CH2 4.15Å; L1529-W1566 HydrophobicContact CD2-CZ3 3.36Å; N1532-W1566 PolarHBondContact ND2-NE1 3.22Å; S1564-W1566 VanDerWaalsContact C-N 3.34Å |
Retrieved 1,566 of 1,566 residues in 736.7 ms
(Link to these results)