| 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 | 33.8 | Very low | 37 | Very low | 188 Ų | 188 | 91.5 Ų | 91.5 | 93% | 0.926 | 47% | 0.472 | S | S | * | . | 0 | 70.8 | 0 | -65.3 | 117.6 | 69.5 | 0 | 0 | 109.7 | |||||
| 2 | N | 33.1 | Very low | 36.9 | Very low | 134 Ų | 134 | 91.5 Ų | 91.5 | 72% | 0.717 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -8.5 | -154 | -58.1 | 23.9 | 0 | 0 | 0 | 114.4 | L4 | N2-L4 VanDerWaalsContact C-N 3.27Š|
| 3 | F | 37 | Very low | 36.7 | Very low | 194 Ų | 194 | 84.5 Ų | 84.5 | 85% | 0.851 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.4 | 175 | -80.5 | -83.3 | 0 | 0 | 0 | 113.9 | ||
| 4 | L | 39.3 | Very low | 36.8 | Very low | 65 Ų | 65 | 79.2 Ų | 79.2 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -52 | -179.1 | -57.3 | -175.1 | 0 | 0 | 0 | 110.5 | N2 P6 T7 N1336 S1337 | N2-L4 VanDerWaalsContact C-N 3.27Å; L4-P6 VanDerWaalsContact C-N 3.28Å; L4-T7 PolarHBondContact O-N 3.03Å; L4-T7 PolarHBondContact O-OG1 2.66Å; L4-T7 VanDerWaalsContact O-OG1 3.07Å; L4-N1336 HydrophobicContact CB-CB 4.19Å; L4-N1336 WeakPolarHBondContact CB-OD1 3.24Å; L4-N1336 CarbonylContact O-C 3.57Å; L4-N1336 WeakPolarHBondContact O-CA 3.49Å; L4-S1337 PolarHBondContact O-N 3.11Å |
| 5 | L | 38.2 | Very low | 36.9 | Very low | 76 Ų | 76 | 78.1 Ų | 78.1 | 40% | 0.398 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -42.6 | -48.4 | -174.3 | -79.6 | 89.4 | 0 | 0 | 0 | 113.4 | T7 V9 T1335 N1336 | L5-T7 PolarHBondContact O-N 2.87Å; L5-V9 WeakPolarHBondContact O-CB 3.23Å; L5-V9 WeakPolarHBondContact O-CG2 3.01Å; L5-T1335 HydrophobicContact CB-CG2 4.27Å; L5-T1335 HydrophobicContact CD2-CG2 3.93Å; L5-T1335 HydrophobicContact CG-CG2 4.23Å; L5-T1335 WeakPolarHBondContact O-CA 3.49Å; L5-N1336 WeakPolarHBondContact CA-OD1 3.25Å; L5-N1336 WeakPolarHBondContact CD1-OD1 3.29Å; L5-N1336 WeakPolarHBondContact CG-OD1 3.21Å; L5-N1336 PolarHBondContact N-OD1 3.43Å; L5-N1336 VanDerWaalsContact N-OD1 3.12Å; L5-N1336 PolarHBondContact O-N 3.07Å; L5-N1336 VanDerWaalsContact O-N 3.09Å |
| 6 | P | 35.3 | Very low | 37 | Very low | 69 Ų | 69 | 73.4 Ų | 73.4 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.2 | -5 | -171.1 | -22.9 | 36.3 | 0 | 0 | 0 | 119.1 | L4 V9 | L4-P6 VanDerWaalsContact C-N 3.28Å; P6-V9 HydrophobicContact CB-CG1 4.44Å; P6-V9 VanDerWaalsContact O-CB 3.27Å; P6-V9 WeakPolarHBondContact O-CB 3.15Å; P6-V9 WeakPolarHBondContact O-CG1 3.32Å |
| 7 | T | 38.1 | Very low | 37.5 | Very low | 47 Ų | 47 | 70.4 Ų | 70.4 | 29% | 0.288 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -103.7 | -42.5 | -172.1 | 50.7 | 0 | 0 | 0 | 0 | 115.3 | L4 L5 V9 I10 I11 S1337 G1338 | L4-T7 PolarHBondContact O-N 3.03Å; L4-T7 PolarHBondContact O-OG1 2.66Å; L4-T7 VanDerWaalsContact O-OG1 3.07Å; L5-T7 PolarHBondContact O-N 2.87Å; T7-V9 PolarHBondContact O-N 3.09Å; T7-I10 PolarHBondContact O-N 3.46Å; T7-I11 WeakPolarHBondContact O-CG1 3.46Å; T7-I11 PolarHBondContact O-N 3.36Å; T7-S1337 WeakPolarHBondContact CB-O 3.27Å; T7-S1337 WeakPolarHBondContact OG1-CA 3.19Å; T7-S1337 PolarHBondContact OG1-N 2.88Å; T7-S1337 VanDerWaalsContact OG1-N 3.08Å; T7-S1337 PolarHBondContact OG1-O 2.89Å; T7-G1338 PolarHBondContact OG1-N 3.11Å |
| 8 | L | 38.9 | Very low | 37.9 | Very low | 59 Ų | 59 | 66.8 Ų | 66.8 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.6 | -28.3 | 161.5 | -78.2 | -178.8 | 0 | 0 | 0 | 110.3 | I10 I11 F12 N1334 N1336 | L8-I10 PolarHBondContact O-N 3.42Å; L8-I11 HydrophobicContact CD2-CD1 4.2Å; L8-I11 CarbonylContact O-C 3.55Å; L8-I11 WeakPolarHBondContact O-CA 3.17Å; L8-I11 WeakPolarHBondContact O-CB 3.39Å; L8-I11 PolarHBondContact O-N 2.85Å; L8-F12 HydrophobicContact CB-CD2 4.34Å; L8-F12 HydrophobicContact CB-CE2 4.42Å; L8-F12 WeakPolarHBondContact O-CD2 3.18Å; L8-F12 PolarHBondContact O-N 2.04Å; L8-N1334 CarbonylContact C-O 3.35Å; L8-N1334 VanDerWaalsContact CB-O 3.23Å; L8-N1334 WeakPolarHBondContact CB-O 3.44Å; L8-N1334 VanDerWaalsContact O-O 3.06Å; L8-N1336 WeakPolarHBondContact CD1-O 3.23Å; L8-N1336 WeakPolarHBondContact CG-O 3.21Å |
| 9 | V | 37.8 | Very low | 38.7 | Very low | 15 Ų | 15 | 64.8 Ų | 64.8 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -50.2 | -57.3 | 176.3 | 134.2 | 0 | 0 | 0 | 0 | 108.9 | L5 P6 T7 I11 A13 H1333 N1334 T1335 | L5-V9 WeakPolarHBondContact O-CB 3.23Å; L5-V9 WeakPolarHBondContact O-CG2 3.01Å; P6-V9 HydrophobicContact CB-CG1 4.44Å; P6-V9 VanDerWaalsContact O-CB 3.27Å; P6-V9 WeakPolarHBondContact O-CB 3.15Å; P6-V9 WeakPolarHBondContact O-CG1 3.32Å; T7-V9 PolarHBondContact O-N 3.09Å; V9-I11 VanDerWaalsContact C-N 3.26Å; V9-I11 PolarHBondContact O-N 2.88Å; V9-A13 WeakPolarHBondContact O-CB 3.46Å; V9-A13 PolarHBondContact O-N 3.12Å; V9-H1333 HydrophobicContact CB-CB 3.99Å; V9-H1333 HydrophobicContact CG1-CB 3.56Å; V9-H1333 VanDerWaalsContact CG1-CD2 3.43Å; V9-H1333 WeakPolarHBondContact CG1-CD2 3.07Å; V9-H1333 WeakPolarHBondContact CG1-CE1 3.42Å; V9-H1333 WeakPolarHBondContact CG1-ND1 3.48Å; V9-H1333 VanDerWaalsContact CG2-C 3.44Å; V9-H1333 HydrophobicContact CG2-CB 3.92Å; V9-H1333 WeakPolarHBondContact O-CA 3.02Å; V9-H1333 PolarHBondContact O-CD2 3.2Å; V9-N1334 WeakPolarHBondContact CA-O 3.01Å; V9-N1334 PolarHBondContact N-O 3.49Å; V9-T1335 HydrophobicContact CG2-CG2 3.77Å |
| 10 | I | 38.3 | Very low | 40 | Very low | 62 Ų | 62 | 66.1 Ų | 66.1 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -32.3 | 176 | -61.5 | 163.5 | 0 | 0 | 0 | 112.4 | T7 L8 L14 | T7-I10 PolarHBondContact O-N 3.46Å; L8-I10 PolarHBondContact O-N 3.42Å; I10-L14 HydrophobicContact CG2-CD1 4.46Å; I10-L14 PolarHBondContact O-N 3.33Å |
| 11 | I | 37.7 | Very low | 41.3 | Very low | 98 Ų | 98 | 64 Ų | 64 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.2 | -39.3 | -175 | -66.5 | 165.8 | 0 | 0 | 0 | 113.1 | T7 L8 V9 A13 N15 | T7-I11 WeakPolarHBondContact O-CG1 3.46Å; T7-I11 PolarHBondContact O-N 3.36Å; L8-I11 HydrophobicContact CD2-CD1 4.2Å; L8-I11 CarbonylContact O-C 3.55Å; L8-I11 WeakPolarHBondContact O-CA 3.17Å; L8-I11 WeakPolarHBondContact O-CB 3.39Å; L8-I11 PolarHBondContact O-N 2.85Å; V9-I11 VanDerWaalsContact C-N 3.26Å; V9-I11 PolarHBondContact O-N 2.88Å; I11-A13 VanDerWaalsContact C-N 3.31Å; I11-N15 PolarHBondContact O-ND2 3Å |
| 12 | F | 35.7 | Very low | 42.9 | Very low | 91 Ų | 91 | 58.7 Ų | 58.7 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69 | -34.2 | 175.5 | -86 | -85.7 | 0 | 0 | 0 | 112 | L8 N15 F1332 N1334 | L8-F12 HydrophobicContact CB-CD2 4.34Å; L8-F12 HydrophobicContact CB-CE2 4.42Å; L8-F12 WeakPolarHBondContact O-CD2 3.18Å; L8-F12 PolarHBondContact O-N 2.04Å; F12-N15 PolarHBondContact O-N 3.1Å; F12-N15 PolarHBondContact O-ND2 3.13Å; F12-F1332 CarbonylContact C-O 3.4Å; F12-F1332 VanDerWaalsContact CB-O 3.27Å; F12-F1332 WeakPolarHBondContact CB-O 3.08Å; F12-N1334 HydrophobicContact CB-CB 3.91Å; F12-N1334 HydrophobicContact CD1-CB 4.32Å; F12-N1334 HydrophobicContact CD2-CB 3.75Å; F12-N1334 WeakPolarHBondContact CD2-ND2 3.06Å; F12-N1334 WeakPolarHBondContact CD2-O 3.41Å; F12-N1334 HydrophobicContact CE2-CB 4.38Å; F12-N1334 WeakPolarHBondContact CE2-ND2 3.35Å; F12-N1334 HydrophobicContact CG-CB 3.73Å; F12-N1334 VanDerWaalsContact CZ-ND2 3.3Å; F12-N1334 WeakPolarHBondContact CZ-ND2 3.43Å |
| 13 | A | 33.5 | Very low | 44.8 | Very low | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.5 | -33.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V9 I11 N15 C16 Y1331 F1332 | V9-A13 WeakPolarHBondContact O-CB 3.46Å; V9-A13 PolarHBondContact O-N 3.12Å; I11-A13 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 2.94Å; A13-N15 VanDerWaalsContact O-N 3.09Å; A13-C16 PolarHBondContact O-SG 2.89Å; A13-Y1331 HydrophobicContact CB-CD1 3.81Å; A13-Y1331 HydrophobicContact CB-CG 4.24Å; A13-Y1331 WeakPolarHBondContact CB-O 3.45Å; A13-Y1331 WeakPolarHBondContact O-CD1 3.06Å; A13-F1332 PolarHBondContact N-O 3.4Å |
| 14 | L | 38.7 | Very low | 46.4 | Very low | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14.4 | 178.5 | -90.8 | 162 | 0 | 0 | 0 | 114.8 | I10 C16 I47 T50 Y51 F54 | I10-L14 HydrophobicContact CG2-CD1 4.46Å; I10-L14 PolarHBondContact O-N 3.33Å; L14-C16 PolarHBondContact O-N 3.01Å; L14-I47 HydrophobicContact CD1-CB 4.03Å; L14-I47 HydrophobicContact CD1-CD1 4.21Å; L14-I47 HydrophobicContact CD1-CG2 4.27Å; L14-I47 HydrophobicContact CD2-CB 4.42Å; L14-I47 HydrophobicContact CD2-CD1 3.9Å; L14-I47 HydrophobicContact CD2-CG1 4.25Å; L14-I47 HydrophobicContact CG-CD1 4.28Å; L14-T50 HydrophobicContact CD1-CG2 4.06Å; L14-Y51 HydrophobicContact CD2-CD2 4.24Å; L14-F54 WeakPolarHBondContact O-CD1 3.5Å |
| 15 | N | 38.4 | Very low | 48.1 | Very low | 63 Ų | 63 | 47.4 Ų | 47.4 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 21.2 | -175.7 | -58.2 | -78.3 | 0 | 0 | 0 | 114.2 | I11 F12 A13 F54 Q447 | I11-N15 PolarHBondContact O-ND2 3Å; F12-N15 PolarHBondContact O-N 3.1Å; F12-N15 PolarHBondContact O-ND2 3.13Å; A13-N15 PolarHBondContact O-N 2.94Å; A13-N15 VanDerWaalsContact O-N 3.09Å; N15-F54 VanDerWaalsContact C-CE1 3.41Å; N15-F54 VanDerWaalsContact CA-CE2 3.45Å; N15-F54 VanDerWaalsContact CA-CZ 3.41Å; N15-F54 HydrophobicContact CB-CD2 4.31Å; N15-F54 HydrophobicContact CB-CE2 3.7Å; N15-F54 HydrophobicContact CB-CZ 3.96Å; N15-F54 WeakPolarHBondContact O-CZ 3.09Å; N15-F54 WeakPolarHBondContact OD1-CE2 3.36Å; N15-Q447 WeakPolarHBondContact O-CB 3.22Å; N15-Q447 PolarHBondContact O-OE1 3.39Å |
| 16 | C | 38.3 | Very low | 50.2 | Low | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | trans | -103.3 | 3.5 | -161.8 | -70.1 | 0 | 0 | 0 | 0 | 119.2 | A13 L14 Q447 I1329 | A13-C16 PolarHBondContact O-SG 2.89Å; L14-C16 PolarHBondContact O-N 3.01Å; C16-Q447 VanDerWaalsContact C-CD 3.47Å; C16-Q447 VanDerWaalsContact C-OE1 3.24Å; C16-Q447 HydrophobicContact CB-CB 4.29Å; C16-Q447 PolarHBondContact O-NE2 2.81Å; C16-I1329 HydrophobicContact CB-CG2 3.72Å | ||
| 17 | W | 44.8 | Very low | 52.2 | Low | 23 Ų | 23 | 44.7 Ų | 44.7 | 9% | 0.087 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -128 | 5.7 | -163.5 | -63.7 | 66.4 | 0 | 0 | 0 | 117.2 | K41 Y51 L55 R1318 I1329 Y1331 | W17-K41 HydrophobicContact CH2-CD 4.24Å; W17-Y51 HydrophobicContact CB-CE2 3.75Å; W17-Y51 AromaticContact CD1-CE2 3.92Å; W17-Y51 AromaticContact CD2-CE2 3.75Å; W17-Y51 HydrophobicContact CD2-CE2 3.75Å; W17-Y51 HydrophobicContact CE3-CE2 4.13Å; W17-Y51 AromaticContact CE3-CZ 3.97Å; W17-Y51 AromaticContact CG-CE2 3.58Å; W17-Y51 HydrophobicContact CG-CE2 3.58Å; W17-L55 HydrophobicContact CB-CD2 3.54Å; W17-L55 WeakPolarHBondContact O-CD2 3.38Å; W17-R1318 HydrophobicContact CE3-CG 4.31Å; W17-R1318 HydrophobicContact CH2-CG 3.85Å; W17-R1318 HydrophobicContact CZ3-CG 3.57Å; W17-I1329 HydrophobicContact CD2-CD1 4.1Å; W17-I1329 HydrophobicContact CE3-CD1 4.32Å; W17-I1329 HydrophobicContact CH2-CD1 3.92Å; W17-I1329 HydrophobicContact CZ2-CD1 3.6Å; W17-I1329 HydrophobicContact CZ3-CD1 4.27Å; W17-Y1331 AromaticContact CE2-CZ 3.87Å; W17-Y1331 VanDerWaalsContact CE2-OH 3.29Å; W17-Y1331 AromaticContact CZ2-CE2 3.85Å; W17-Y1331 HydrophobicContact CZ2-CE2 3.85Å; W17-Y1331 AromaticContact CZ2-CZ 3.9Å; W17-Y1331 WeakPolarHBondContact CZ2-OH 3.24Å; W17-Y1331 AromaticContact NE1-CE1 4Å; W17-Y1331 AromaticContact NE1-CE2 3.65Å; W17-Y1331 AromaticContact NE1-CZ 3.31Å; W17-Y1331 VanDerWaalsContact NE1-CZ 3.31Å; W17-Y1331 PolarHBondContact NE1-OH 3.48Å; W17-Y1331 VanDerWaalsContact NE1-OH 3.11Å |
| 18 | S | 45.2 | Very low | 54.3 | Low | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 113.6 | 178.6 | -179.3 | 0 | 0 | 0 | 0 | 113 | K20 L55 Q447 | S18-K20 PolarHBondContact O-N 3.09Å; S18-L55 VanDerWaalsContact CB-O 3.31Å; S18-L55 WeakPolarHBondContact CB-O 3.37Å; S18-L55 PolarHBondContact OG-O 3.05Å; S18-Q447 PolarHBondContact O-OE1 2.97Å; S18-Q447 VanDerWaalsContact O-OE1 3.05Å |
| 19 | L | 53.3 | Low | 56.4 | Low | 29 Ų | 29 | 47 Ų | 47 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 104.6 | 171.3 | -90.9 | 165 | 0 | 0 | 0 | 109.6 | F21 C32 R33 P313 V444 | L19-F21 HydrophobicContact CB-CD1 4.28Å; L19-F21 HydrophobicContact CB-CE1 4.13Å; L19-F21 WeakPolarHBondContact O-CE1 3.2Å; L19-C32 CarbonylContact O-C 3.23Å; L19-C32 WeakPolarHBondContact O-CA 3.48Å; L19-R33 HydrophobicContact CB-CB 4.15Å; L19-R33 PolarHBondContact N-O 2.91Å; L19-R33 PolarHBondContact O-N 3.05Å; L19-P313 HydrophobicContact CD1-CG 4.4Å; L19-V444 HydrophobicContact CD1-CB 4.06Å; L19-V444 HydrophobicContact CD1-CG1 3.74Å; L19-V444 HydrophobicContact CD2-CG1 3.71Å; L19-V444 HydrophobicContact CG-CG1 4.13Å |
| 20 | K | 64.3 | Low | 58.8 | Low | 91 Ų | 91 | 51.2 Ų | 51.2 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.7 | 175.2 | -49.3 | -168 | -179.2 | 172.5 | 0 | 109.8 | S18 F54 L55 G57 | S18-K20 PolarHBondContact O-N 3.09Å; K20-F54 WeakPolarHBondContact CE-O 3.35Å; K20-F54 PolarHBondContact NZ-O 2.86Å; K20-L55 WeakPolarHBondContact CE-O 3.46Å; K20-G57 PolarHBondContact NZ-O 3.18Å |
| 21 | F | 68.8 | Low | 60.9 | Low | 22 Ų | 22 | 48.3 Ų | 48.3 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.6 | 177.1 | 42.2 | -88.6 | 0 | 0 | 0 | 109.9 | L19 A31 R33 F302 P311 F314 | L19-F21 HydrophobicContact CB-CD1 4.28Å; L19-F21 HydrophobicContact CB-CE1 4.13Å; L19-F21 WeakPolarHBondContact O-CE1 3.2Å; F21-A31 HydrophobicContact CD2-CB 3.96Å; F21-A31 HydrophobicContact CE2-CB 3.41Å; F21-A31 VanDerWaalsContact CE2-CB 3.41Å; F21-A31 HydrophobicContact CZ-CB 3.97Å; F21-A31 PolarHBondContact N-O 2.59Å; F21-A31 VanDerWaalsContact N-O 3.13Å; F21-A31 PolarHBondContact O-N 2.03Å; F21-R33 HydrophobicContact CE1-CB 4.03Å; F21-R33 HydrophobicContact CZ-CB 4.32Å; F21-F302 AromaticContact CE2-CE1 3.92Å; F21-F302 HydrophobicContact CE2-CE1 3.92Å; F21-F302 HydrophobicContact CE2-CE2 4.03Å; F21-F302 AromaticContact CE2-CZ 3.34Å; F21-F302 HydrophobicContact CE2-CZ 3.34Å; F21-F302 HydrophobicContact CZ-CE2 4.29Å; F21-F302 AromaticContact CZ-CZ 3.64Å; F21-F302 HydrophobicContact CZ-CZ 3.64Å; F21-P311 HydrophobicContact CD2-CB 4.25Å; F21-P311 HydrophobicContact CD2-CG 4.1Å; F21-P311 HydrophobicContact CE2-CG 4.25Å; F21-F314 HydrophobicContact CE1-CE2 4.03Å; F21-F314 HydrophobicContact CE2-CE2 4.45Å; F21-F314 AromaticContact CZ-CE2 3.81Å; F21-F314 HydrophobicContact CZ-CE2 3.81Å; F21-F314 HydrophobicContact CZ-CZ 4.32Å |
| 22 | S | 66.2 | Low | 63.1 | Low | 77 Ų | 77 | 43.7 Ų | 43.7 | 54% | 0.538 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 126.1 | 168.7 | -57.5 | 0 | 0 | 0 | 0 | 107.8 | S24 | S22-S24 PolarHBondContact O-N 3.28Å |
| 23 | I | 73.7 | Confident | 64.9 | Low | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | trans | -74.7 | 120.5 | 168.6 | -50.2 | 177.3 | 0 | 0 | 0 | 106.8 | E25 Y26 I29 A31 F302 I305 V307 | I23-E25 PolarHBondContact O-N 3.17Å; I23-Y26 HydrophobicContact CB-CD2 4.32Å; I23-Y26 HydrophobicContact CG2-CD2 3.81Å; I23-Y26 CarbonylContact O-C 3.41Å; I23-Y26 VanDerWaalsContact O-C 3.23Å; I23-Y26 PolarHBondContact O-N 2.97Å; I23-I29 HydrophobicContact CD1-CB 4.38Å; I23-I29 HydrophobicContact CD1-CG2 3.84Å; I23-I29 HydrophobicContact CG1-CG2 4.44Å; I23-A31 HydrophobicContact CD1-CB 4.38Å; I23-A31 HydrophobicContact CG1-CB 4.46Å; I23-F302 HydrophobicContact CD1-CD1 3.82Å; I23-F302 HydrophobicContact CD1-CE1 4.03Å; I23-I305 HydrophobicContact CD1-CD1 3.75Å; I23-I305 HydrophobicContact CD1-CG2 4.2Å; I23-V307 HydrophobicContact CG2-CG1 3.59Å | ||
| 24 | S | 70.9 | Confident | 66.4 | Low | 101 Ų | 101 | 41.3 Ų | 41.3 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.9 | -173.8 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | S22 | S22-S24 PolarHBondContact O-N 3.28Š|
| 25 | E | 73.7 | Confident | 67.2 | Low | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.238 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -19.6 | 176.7 | -71 | 163.3 | -112.1 | 0 | 0 | 113.7 | I23 K308 | I23-E25 PolarHBondContact O-N 3.17Å; E25-K308 VanDerWaalsContact CD-N 3.31Å; E25-K308 WeakPolarHBondContact OE1-CB 3.4Å; E25-K308 PolarHBondContact OE1-N 2.81Å; E25-K308 WeakPolarHBondContact OE2-CG 3.4Å; E25-K308 PolarHBondContact OE2-N 2.84Å; E25-K308 VanDerWaalsContact OE2-N 3.09Å |
| 26 | Y | 82.7 | Confident | 68.4 | Low | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | trans | -135.8 | 75.3 | -176.6 | -50.5 | -78.7 | 0 | 0 | 0 | 111.7 | I23 W28 I29 D272 I305 C306 V307 | I23-Y26 HydrophobicContact CB-CD2 4.32Å; I23-Y26 HydrophobicContact CG2-CD2 3.81Å; I23-Y26 CarbonylContact O-C 3.41Å; I23-Y26 VanDerWaalsContact O-C 3.23Å; I23-Y26 PolarHBondContact O-N 2.97Å; Y26-W28 AromaticContact CD1-CH2 3.89Å; Y26-W28 HydrophobicContact CD1-CH2 3.89Å; Y26-W28 AromaticContact CD1-CZ2 3.7Å; Y26-W28 HydrophobicContact CD1-CZ2 3.7Å; Y26-W28 HydrophobicContact CG-CZ2 4.44Å; Y26-W28 PolarHBondContact O-N 2.88Å; Y26-I29 HydrophobicContact CD1-CD1 4.43Å; Y26-I29 HydrophobicContact CD2-CD1 4.31Å; Y26-I29 HydrophobicContact CG-CD1 3.87Å; Y26-I29 WeakPolarHBondContact O-CB 3.19Å; Y26-I29 PolarHBondContact O-N 3.44Å; Y26-D272 PolarHBondContact OH-N 2.89Å; Y26-D272 VanDerWaalsContact OH-N 3.07Å; Y26-I305 HydrophobicContact CD2-CG2 3.66Å; Y26-I305 HydrophobicContact CE2-CG2 3.35Å; Y26-C306 VanDerWaalsContact CE2-O 3.31Å; Y26-C306 WeakPolarHBondContact CE2-O 3.36Å; Y26-C306 PolarHBondContact OH-O 3.09Å; Y26-V307 HydrophobicContact CE2-CG1 4.22Å | ||
| 27 | P | 78.4 | Confident | 69.7 | Low | 86 Ų | 86 | 45 Ų | 45 | 56% | 0.558 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -15.4 | -171.2 | -26.8 | 36.5 | 0 | 0 | 0 | 116.6 | ||
| 28 | W | 80.6 | Confident | 70.6 | Confident | 156 Ų | 156 | 44.2 Ų | 44.2 | 59% | 0.591 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.1 | 172.8 | 61.4 | 92.1 | 0 | 0 | 0 | 113.3 | Y26 K30 T60 | Y26-W28 AromaticContact CD1-CH2 3.89Å; Y26-W28 HydrophobicContact CD1-CH2 3.89Å; Y26-W28 AromaticContact CD1-CZ2 3.7Å; Y26-W28 HydrophobicContact CD1-CZ2 3.7Å; Y26-W28 HydrophobicContact CG-CZ2 4.44Å; Y26-W28 PolarHBondContact O-N 2.88Å; W28-K30 PolarHBondContact O-N 3.22Å; W28-T60 PolarHBondContact O-OG1 2.97Å |
| 29 | I | 84.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -87.1 | 104 | 175 | -55.4 | -178 | 0 | 0 | 0 | 108.5 | I23 Y26 A31 H61 M270 I305 | I23-I29 HydrophobicContact CD1-CB 4.38Å; I23-I29 HydrophobicContact CD1-CG2 3.84Å; I23-I29 HydrophobicContact CG1-CG2 4.44Å; Y26-I29 HydrophobicContact CD1-CD1 4.43Å; Y26-I29 HydrophobicContact CD2-CD1 4.31Å; Y26-I29 HydrophobicContact CG-CD1 3.87Å; Y26-I29 WeakPolarHBondContact O-CB 3.19Å; Y26-I29 PolarHBondContact O-N 3.44Å; I29-A31 HydrophobicContact CG2-CB 4.31Å; I29-H61 HydrophobicContact CG2-CB 4.3Å; I29-M270 HydrophobicContact CD1-CE 3.41Å; I29-M270 VanDerWaalsContact CD1-CE 3.41Å; I29-I305 HydrophobicContact CD1-CD1 3.84Å; I29-I305 HydrophobicContact CG2-CD1 3.94Å | ||
| 30 | K | 86.8 | Confident | 72.6 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 87.3 | 166.9 | -67.8 | -168.9 | 174 | -169.7 | 0 | 106.9 | W28 G58 T60 H61 | W28-K30 PolarHBondContact O-N 3.22Å; K30-G58 VanDerWaalsContact CB-O 3.31Å; K30-G58 WeakPolarHBondContact CB-O 3.38Å; K30-G58 WeakPolarHBondContact CD-O 3.5Å; K30-T60 PolarHBondContact N-OG1 3.3Å; K30-T60 VanDerWaalsContact N-OG1 3.08Å; K30-T60 PolarHBondContact O-N 2.8Å; K30-H61 PolarHBondContact O-N 2.03Å |
| 31 | A | 83.7 | Confident | 72.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 126.2 | 176 | 0 | 0 | 0 | 0 | 0 | 108.5 | F21 I23 I29 H61 I63 F302 | F21-A31 HydrophobicContact CD2-CB 3.96Å; F21-A31 HydrophobicContact CE2-CB 3.41Å; F21-A31 VanDerWaalsContact CE2-CB 3.41Å; F21-A31 HydrophobicContact CZ-CB 3.97Å; F21-A31 PolarHBondContact N-O 2.59Å; F21-A31 VanDerWaalsContact N-O 3.13Å; F21-A31 PolarHBondContact O-N 2.03Å; I23-A31 HydrophobicContact CD1-CB 4.38Å; I23-A31 HydrophobicContact CG1-CB 4.46Å; I29-A31 HydrophobicContact CG2-CB 4.31Å; A31-H61 WeakPolarHBondContact CA-O 3.45Å; A31-I63 HydrophobicContact CB-CG1 4.38Å; A31-F302 HydrophobicContact CB-CE1 4.23Å |
| 32 | C | 82.6 | Confident | 72.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 111.1 | 177.9 | -67.6 | 0 | 0 | 0 | 0 | 108.9 | L19 V34 C59 H61 I62 I63 | L19-C32 CarbonylContact O-C 3.23Å; L19-C32 WeakPolarHBondContact O-CA 3.48Å; C32-V34 HydrophobicContact CB-CG2 4.43Å; C32-V34 PolarHBondContact O-N 2.03Å; C32-C59 HydrophobicContact CB-CB 3.69Å; C32-C59 WeakPolarHBondContact CB-SG 3.41Å; C32-C59 VanDerWaalsContact SG-CA 3.56Å; C32-C59 WeakPolarHBondContact SG-CB 3.12Å; C32-C59 CovalentContact SG-SG 2.01Å; C32-C59 PolarHBondContact SG-SG 3.18Å; C32-H61 PolarHBondContact N-O 3Å; C32-I62 WeakPolarHBondContact O-CA 3.31Å; C32-I63 PolarHBondContact O-N 3.06Å |
| 33 | R | 74.6 | Confident | 72.1 | Confident | 41 Ų | 41 | 34.1 Ų | 34.1 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 101.5 | 173.4 | -174.7 | -126.3 | -171.4 | 78.7 | -4 | 108.6 | L19 F21 W35 I63 I323 | L19-R33 HydrophobicContact CB-CB 4.15Å; L19-R33 PolarHBondContact N-O 2.91Å; L19-R33 PolarHBondContact O-N 3.05Å; F21-R33 HydrophobicContact CE1-CB 4.03Å; F21-R33 HydrophobicContact CZ-CB 4.32Å; R33-W35 VanDerWaalsContact NE-CE3 3.3Å; R33-W35 VanDerWaalsContact NH2-CH2 3.29Å; R33-I63 WeakPolarHBondContact CA-O 3.28Å; R33-I323 VanDerWaalsContact NH1-CD1 3.3Å; R33-I323 VanDerWaalsContact NH1-CG1 3.34Å |
| 34 | V | 64.7 | Low | 71.6 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 112.7 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | C32 L55 Y56 | C32-V34 HydrophobicContact CB-CG2 4.43Å; C32-V34 PolarHBondContact O-N 2.03Å; V34-L55 HydrophobicContact CG1-CD1 4.18Å; V34-L55 HydrophobicContact CG1-CD2 4.01Å; V34-Y56 HydrophobicContact CB-CE1 3.97Å; V34-Y56 HydrophobicContact CG1-CE1 3.9Å; V34-Y56 HydrophobicContact CG2-CD1 4.01Å; V34-Y56 HydrophobicContact CG2-CE1 3.67Å |
| 35 | W | 56.4 | Low | 71.3 | Confident | 82 Ų | 82 | 32.5 Ų | 32.5 | 31% | 0.311 | 15% | 0.148 | S | C | . | . | trans | -63.2 | 147.5 | 178.3 | -133.9 | -81 | 0 | 0 | 0 | 110.5 | R33 R37 T1315 R1318 | R33-W35 VanDerWaalsContact NE-CE3 3.3Å; R33-W35 VanDerWaalsContact NH2-CH2 3.29Å; W35-R37 PolarHBondContact O-N 2.84Å; W35-T1315 HydrophobicContact CD2-CG2 4.18Å; W35-T1315 HydrophobicContact CG-CG2 4.34Å; W35-T1315 HydrophobicContact CZ2-CG2 3.9Å; W35-T1315 VanDerWaalsContact NE1-CG2 3.27Å; W35-R1318 PolarHBondContact O-NH2 2.88Å | ||
| 36 | E | 62.8 | Low | 71 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 16% | 0.162 | S | C | . | . | trans | -39 | 85.3 | -173.5 | -175.7 | -175.2 | -155 | 0 | 0 | 114.4 | D38 Y94 T1311 R1318 Y1319 | E36-D38 PolarHBondContact O-N 3.22Å; E36-Y94 WeakPolarHBondContact CG-OH 3.48Å; E36-T1311 WeakPolarHBondContact OE2-CG2 3.39Å; E36-R1318 VanDerWaalsContact C-CZ 3.48Å; E36-R1318 VanDerWaalsContact C-NH1 3.32Å; E36-R1318 PolarHBondContact O-NE 3.17Å; E36-R1318 PolarHBondContact O-NH1 3.42Å; E36-R1318 PolarHBondContact O-NH2 3.29Å; E36-Y1319 PolarHBondContact O-OH 3.49Å; E36-Y1319 PolarHBondContact OE2-OH 2.82Å | ||
| 37 | R | 64.7 | Low | 70.5 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | trans | -64.3 | 118.9 | -174.7 | 172.2 | -176.5 | 178 | -150.7 | -1.6 | 108.3 | W35 C39 K41 V67 C69 | W35-R37 PolarHBondContact O-N 2.84Å; R37-C39 PolarHBondContact O-N 3.34Å; R37-K41 PolarHBondContact NH2-O 3.32Å; R37-V67 HydrophobicContact CB-CB 3.71Å; R37-V67 HydrophobicContact CB-CG1 3.7Å; R37-V67 HydrophobicContact CB-CG2 4.03Å; R37-V67 HydrophobicContact CG-CB 4.12Å; R37-V67 HydrophobicContact CG-CG1 3.68Å; R37-V67 PolarHBondContact NH1-O 2.73Å; R37-V67 WeakPolarHBondContact O-CG1 3.38Å; R37-C69 PolarHBondContact NH1-O 2.91Å; R37-C69 PolarHBondContact NH1-SG 2.85Å; R37-C69 VanDerWaalsContact NH1-SG 3.44Å; R37-C69 PolarHBondContact NH2-O 2.91Å; R37-C69 PolarHBondContact NH2-SG 2.93Å | ||
| 38 | D | 65.2 | Low | 70.3 | Confident | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | trans | -65.5 | 119.6 | 164.7 | -177.3 | -53 | 0 | 0 | 0 | 107.5 | E36 K41 D1283 Y1319 | E36-D38 PolarHBondContact O-N 3.22Å; D38-K41 HydrophobicContact CB-CB 4.3Å; D38-K41 HydrophobicContact CB-CD 3.75Å; D38-K41 HydrophobicContact CB-CG 3.87Å; D38-K41 WeakPolarHBondContact O-CB 3.02Å; D38-K41 PolarHBondContact O-N 2.59Å; D38-K41 WeakPolarHBondContact OD1-CG 3.22Å; D38-K41 PolarHBondContact OD1-N 3.22Å; D38-K41 IonicContact OD1-NZ 2.77Å; D38-K41 WeakPolarHBondContact OD2-CE 3.38Å; D38-K41 IonicContact OD2-NZ 2.65Å; D38-K41 PolarHBondContact OD2-NZ 3.27Å; D38-D1283 HydrophobicContact CB-CB 4.47Å; D38-D1283 VanDerWaalsContact OD1-CA 3.27Å; D38-D1283 WeakPolarHBondContact OD1-CA 3.22Å; D38-D1283 WeakPolarHBondContact OD1-CB 3.45Å; D38-D1283 PolarHBondContact OD1-N 2.67Å; D38-D1283 WeakPolarHBondContact OD2-CA 3.32Å; D38-D1283 VanDerWaalsContact OD2-CB 3.32Å; D38-D1283 WeakPolarHBondContact OD2-CB 3.43Å; D38-D1283 PolarHBondContact OD2-N 2.64Å; D38-Y1319 HydrophobicContact CB-CD1 4.43Å; D38-Y1319 HydrophobicContact CB-CE1 4.01Å; D38-Y1319 WeakPolarHBondContact OD2-CD1 3.49Å | ||
| 39 | C | 70.8 | Confident | 70.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -27.1 | -167.2 | -121.8 | 0 | 0 | 0 | 0 | 113.4 | R37 K41 V67 C69 Y96 D1283 | R37-C39 PolarHBondContact O-N 3.34Å; C39-K41 PolarHBondContact O-N 3.43Å; C39-V67 HydrophobicContact CB-CG1 4.16Å; C39-V67 WeakPolarHBondContact SG-CG1 3.27Å; C39-C69 WeakPolarHBondContact CA-SG 3.5Å; C39-C69 HydrophobicContact CB-CB 3.81Å; C39-C69 WeakPolarHBondContact CB-SG 3.34Å; C39-C69 WeakPolarHBondContact O-CB 3.47Å; C39-C69 PolarHBondContact O-SG 2.95Å; C39-C69 VanDerWaalsContact O-SG 3.33Å; C39-C69 WeakPolarHBondContact SG-CB 3.22Å; C39-C69 CovalentContact SG-SG 2.02Å; C39-C69 PolarHBondContact SG-SG 2.98Å; C39-Y96 HydrophobicContact CB-CD1 3.94Å; C39-Y96 HydrophobicContact CB-CE1 3.65Å; C39-Y96 WeakPolarHBondContact SG-CD1 3.42Å; C39-Y96 WeakPolarHBondContact SG-CE1 3.47Å; C39-D1283 WeakPolarHBondContact CA-OD2 3.35Å; C39-D1283 PolarHBondContact N-OD2 3.49Å |
| 40 | S | 69.6 | Low | 70 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 23.1 | 158 | -45.8 | 0 | 0 | 0 | 0 | 110.3 | P42 Q99 L1282 D1283 M1286 | S40-P42 VanDerWaalsContact O-CD 3.24Å; S40-P42 WeakPolarHBondContact O-CD 3.01Å; S40-Q99 PolarHBondContact OG-NE2 2.91Å; S40-L1282 VanDerWaalsContact CB-O 3.3Å; S40-L1282 WeakPolarHBondContact CB-O 3.35Å; S40-L1282 CarbonylContact O-C 3.56Å; S40-L1282 WeakPolarHBondContact O-CA 3.47Å; S40-L1282 WeakPolarHBondContact O-CB 3.22Å; S40-L1282 WeakPolarHBondContact O-CD2 3.35Å; S40-L1282 VanDerWaalsContact O-CG 3.27Å; S40-L1282 WeakPolarHBondContact O-CG 3.2Å; S40-L1282 PolarHBondContact O-N 3.23Å; S40-D1283 WeakPolarHBondContact CB-OD1 3.49Å; S40-D1283 VanDerWaalsContact N-CG 3.34Å; S40-D1283 PolarHBondContact N-OD2 3.4Å; S40-D1283 PolarHBondContact O-N 2.81Å; S40-D1283 VanDerWaalsContact OG-CG 3.27Å; S40-D1283 PolarHBondContact OG-OD1 2.89Å; S40-M1286 WeakPolarHBondContact OG-CE 3.29Å; S40-M1286 WeakPolarHBondContact OG-CG 3.25Å |
| 41 | K | 62.3 | Low | 69.4 | Low | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | trans | -98.9 | 87.6 | 146.4 | -67.5 | 176.4 | -141 | -39.9 | 0 | 110.3 | W17 R37 D38 C39 N43 Q48 T1281 R1318 | W17-K41 HydrophobicContact CH2-CD 4.24Å; R37-K41 PolarHBondContact NH2-O 3.32Å; D38-K41 HydrophobicContact CB-CB 4.3Å; D38-K41 HydrophobicContact CB-CD 3.75Å; D38-K41 HydrophobicContact CB-CG 3.87Å; D38-K41 WeakPolarHBondContact O-CB 3.02Å; D38-K41 PolarHBondContact O-N 2.59Å; D38-K41 WeakPolarHBondContact OD1-CG 3.22Å; D38-K41 PolarHBondContact OD1-N 3.22Å; D38-K41 IonicContact OD1-NZ 2.77Å; D38-K41 WeakPolarHBondContact OD2-CE 3.38Å; D38-K41 IonicContact OD2-NZ 2.65Å; D38-K41 PolarHBondContact OD2-NZ 3.27Å; C39-K41 PolarHBondContact O-N 3.43Å; K41-N43 PolarHBondContact O-ND2 3.37Å; K41-Q48 PolarHBondContact O-OE1 2.03Å; K41-T1281 WeakPolarHBondContact CD-OG1 3.47Å; K41-T1281 WeakPolarHBondContact CE-OG1 3.31Å; K41-T1281 PolarHBondContact NZ-O 2.64Å; K41-T1281 PolarHBondContact NZ-OG1 3.4Å; K41-R1318 WeakPolarHBondContact CD-O 3.5Å; K41-R1318 WeakPolarHBondContact CE-O 3.47Å | ||
| 42 | P | 61.4 | Low | 69.3 | Low | 6 Ų | 6 | 25.4 Ų | 25.4 | 4% | 0.039 | 12% | 0.122 | C | C | . | . | trans | -68.2 | 152.6 | 146.4 | -25.6 | 38.6 | 0 | 0 | 0 | 112.7 | S40 Q48 H1347 E1348 L1349 | S40-P42 VanDerWaalsContact O-CD 3.24Å; S40-P42 WeakPolarHBondContact O-CD 3.01Å; P42-Q48 VanDerWaalsContact CA-OE1 3.28Å; P42-H1347 CarbonylContact C-O 3.58Å; P42-H1347 WeakPolarHBondContact CB-O 3.28Å; P42-E1348 HydrophobicContact CB-CB 4.24Å; P42-E1348 WeakPolarHBondContact CB-OE2 3.06Å; P42-E1348 VanDerWaalsContact CG-OE2 3.23Å; P42-E1348 WeakPolarHBondContact CG-OE2 3.35Å; P42-L1349 WeakPolarHBondContact O-CD1 3.07Å; P42-L1349 VanDerWaalsContact O-CG 3.26Å; P42-L1349 WeakPolarHBondContact O-CG 3.21Å | ||
| 43 | N | 63.6 | Low | 69.4 | Low | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | trans | -130.8 | 135.6 | 179.3 | -60 | -109.4 | 0 | 0 | 0 | 107.3 | K41 I47 Q48 Y51 Y1331 S1346 H1347 E1348 | K41-N43 PolarHBondContact O-ND2 3.37Å; N43-I47 HydrophobicContact CB-CD1 4.16Å; N43-I47 HydrophobicContact CB-CG1 3.77Å; N43-Q48 PolarHBondContact ND2-OE1 3.4Å; N43-Q48 PolarHBondContact O-N 3.16Å; N43-Q48 VanDerWaalsContact O-N 3.12Å; N43-Y51 WeakPolarHBondContact ND2-CD1 3.45Å; N43-Y1331 PolarHBondContact OD1-OH 3.46Å; N43-S1346 CarbonylContact C-O 3.48Å; N43-H1347 CarbonylContact C-O 2.88Å; N43-H1347 PolarHBondContact N-O 2.93Å; N43-E1348 CarbonylContact C-O 3.49Å; N43-E1348 VanDerWaalsContact CA-O 3.25Å; N43-E1348 WeakPolarHBondContact CA-O 3.4Å | ||
| 44 | P | 64.6 | Low | 69.5 | Low | 17 Ų | 17 | 29.6 Ų | 29.6 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 159.2 | -144.8 | -31 | 35.1 | 0 | 0 | 0 | 118.1 | H46 I47 S1346 E1348 L1349 Q1350 | P44-H46 CarbonylContact O-C 3.47Å; P44-H46 PolarHBondContact O-N 2.64Å; P44-I47 HydrophobicContact CG-CD1 4.5Å; P44-I47 PolarHBondContact O-N 2.96Å; P44-S1346 CarbonylContact C-O 3.46Å; P44-S1346 WeakPolarHBondContact CA-O 3.07Å; P44-E1348 VanDerWaalsContact CA-O 3.22Å; P44-E1348 WeakPolarHBondContact CA-O 3.42Å; P44-E1348 WeakPolarHBondContact CD-O 3.42Å; P44-E1348 WeakPolarHBondContact CG-O 3.43Å; P44-L1349 WeakPolarHBondContact CG-O 3.28Å; P44-Q1350 HydrophobicContact CG-CG 4.23Å |
| 45 | K | 65 | Low | 70.1 | Confident | 53 Ų | 53 | 29.5 Ų | 29.5 | 23% | 0.23 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 8.9 | -159.1 | -119.7 | 177.8 | -146.5 | -70.2 | 0 | 120.5 | E72 E1345 S1346 H1347 | K45-E72 IonicContact NZ-OE1 3.86Å; K45-E72 PolarHBondContact NZ-OE1 3.29Å; K45-E72 IonicContact NZ-OE2 2.81Å; K45-E72 PolarHBondContact NZ-OE2 3.34Å; K45-E1345 HydrophobicContact CD-CB 4.44Å; K45-E1345 HydrophobicContact CD-CG 4.31Å; K45-E1345 HydrophobicContact CG-CB 4.21Å; K45-E1345 IonicContact NZ-OE1 3.22Å; K45-E1345 PolarHBondContact NZ-OE1 2.96Å; K45-E1345 CarbonylContact O-C 3.47Å; K45-E1345 WeakPolarHBondContact O-CA 3.18Å; K45-S1346 VanDerWaalsContact CA-C 3.43Å; K45-S1346 WeakPolarHBondContact CA-O 3.24Å; K45-S1346 VanDerWaalsContact CG-N 3.26Å; K45-S1346 PolarHBondContact N-O 3.11Å; K45-S1346 PolarHBondContact O-OG 3.08Å; K45-H1347 HydrophobicContact CD-CB 4.27Å; K45-H1347 VanDerWaalsContact CD-CD2 3.47Å; K45-H1347 WeakPolarHBondContact CD-CD2 3.3Å; K45-H1347 WeakPolarHBondContact CE-ND1 3.31Å; K45-H1347 HydrophobicContact CG-CB 3.89Å; K45-H1347 VanDerWaalsContact CG-CD2 3.43Å; K45-H1347 WeakPolarHBondContact CG-CD2 3.14Å |
| 46 | H | 66.6 | Low | 71.6 | Confident | 117 Ų | 117 | 25.6 Ų | 25.6 | 54% | 0.542 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | -3.1 | -177.8 | 52.3 | -72.3 | 0 | 0 | 0 | 113.4 | P44 S1346 | P44-H46 CarbonylContact O-C 3.47Å; P44-H46 PolarHBondContact O-N 2.64Å; H46-S1346 PolarHBondContact N-OG 2.97Å; H46-S1346 VanDerWaalsContact N-OG 3.12Å |
| 47 | I | 71.1 | Confident | 72.7 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 9% | 0.092 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | -15.2 | -173.8 | 86 | -179.5 | 0 | 0 | 0 | 116.2 | L14 N43 P44 L49 T50 Y51 S1346 | L14-I47 HydrophobicContact CD1-CB 4.03Å; L14-I47 HydrophobicContact CD1-CD1 4.21Å; L14-I47 HydrophobicContact CD1-CG2 4.27Å; L14-I47 HydrophobicContact CD2-CB 4.42Å; L14-I47 HydrophobicContact CD2-CD1 3.9Å; L14-I47 HydrophobicContact CD2-CG1 4.25Å; L14-I47 HydrophobicContact CG-CD1 4.28Å; N43-I47 HydrophobicContact CB-CD1 4.16Å; N43-I47 HydrophobicContact CB-CG1 3.77Å; P44-I47 HydrophobicContact CG-CD1 4.5Å; P44-I47 PolarHBondContact O-N 2.96Å; I47-L49 VanDerWaalsContact C-N 3.27Å; I47-L49 PolarHBondContact O-N 3.41Å; I47-T50 CarbonylContact O-C 3.56Å; I47-T50 WeakPolarHBondContact O-CA 3.45Å; I47-T50 WeakPolarHBondContact O-CB 3.28Å; I47-T50 PolarHBondContact O-N 3.01Å; I47-T50 VanDerWaalsContact O-N 3.11Å; I47-Y51 VanDerWaalsContact O-CB 3.26Å; I47-Y51 WeakPolarHBondContact O-CB 3.41Å; I47-Y51 PolarHBondContact O-N 2.89Å; I47-S1346 PolarHBondContact N-OG 2.77Å |
| 48 | Q | 75.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.1 | -39.7 | 175.9 | -166.6 | 114.5 | -95.7 | 0 | 0 | 112.6 | K41 P42 N43 T50 Y51 I52 C69 G70 | K41-Q48 PolarHBondContact O-OE1 2.03Å; P42-Q48 VanDerWaalsContact CA-OE1 3.28Å; N43-Q48 PolarHBondContact ND2-OE1 3.4Å; N43-Q48 PolarHBondContact O-N 3.16Å; N43-Q48 VanDerWaalsContact O-N 3.12Å; Q48-T50 VanDerWaalsContact C-N 3.32Å; Q48-T50 PolarHBondContact O-N 3.05Å; Q48-Y51 PolarHBondContact O-N 3.47Å; Q48-I52 HydrophobicContact CG-CD1 3.5Å; Q48-I52 HydrophobicContact CG-CG1 4Å; Q48-I52 WeakPolarHBondContact O-CB 3.48Å; Q48-I52 VanDerWaalsContact O-CG1 3.28Å; Q48-I52 WeakPolarHBondContact O-CG1 3.28Å; Q48-I52 PolarHBondContact O-N 3.04Å; Q48-C69 PolarHBondContact NE2-O 3.21Å; Q48-C69 VanDerWaalsContact NE2-O 3.07Å; Q48-G70 VanDerWaalsContact NE2-C 3.32Å; Q48-G70 VanDerWaalsContact NE2-CA 3.27Å; Q48-G70 PolarHBondContact NE2-O 3.5Å |
| 49 | L | 81 | Confident | 74.8 | Confident | 38 Ų | 38 | 24.4 Ų | 24.4 | 20% | 0.199 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 176 | -177.3 | 63.6 | 0 | 0 | 0 | 110.2 | I47 Y51 I52 K53 L71 P80 L82 F84 | I47-L49 VanDerWaalsContact C-N 3.27Å; I47-L49 PolarHBondContact O-N 3.41Å; L49-Y51 VanDerWaalsContact C-N 3.29Å; L49-Y51 PolarHBondContact O-N 2.79Å; L49-I52 PolarHBondContact O-N 2.83Å; L49-K53 WeakPolarHBondContact O-CB 3.41Å; L49-K53 PolarHBondContact O-N 3.4Å; L49-L71 HydrophobicContact CD1-CD2 4.14Å; L49-P80 HydrophobicContact CD1-CB 3.82Å; L49-P80 HydrophobicContact CD1-CG 4.29Å; L49-P80 HydrophobicContact CD2-CB 3.64Å; L49-P80 HydrophobicContact CG-CB 4.31Å; L49-L82 HydrophobicContact CD1-CD2 3.74Å; L49-F84 HydrophobicContact CD1-CE1 4.01Å; L49-F84 HydrophobicContact CD1-CZ 4.49Å |
| 50 | T | 76.4 | Confident | 75.8 | Confident | 75 Ų | 75 | 25.3 Ų | 25.3 | 46% | 0.46 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 175.1 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | L14 I47 Q48 K53 F54 | L14-T50 HydrophobicContact CD1-CG2 4.06Å; I47-T50 CarbonylContact O-C 3.56Å; I47-T50 WeakPolarHBondContact O-CA 3.45Å; I47-T50 WeakPolarHBondContact O-CB 3.28Å; I47-T50 PolarHBondContact O-N 3.01Å; I47-T50 VanDerWaalsContact O-N 3.11Å; Q48-T50 VanDerWaalsContact C-N 3.32Å; Q48-T50 PolarHBondContact O-N 3.05Å; T50-K53 CarbonylContact O-C 3.55Å; T50-F54 VanDerWaalsContact O-CB 3.29Å; T50-F54 WeakPolarHBondContact O-CB 3.14Å; T50-F54 PolarHBondContact O-N 3.28Å |
| 51 | Y | 75.3 | Confident | 76.8 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.4 | -44.1 | 179.4 | 169.8 | -97.4 | 0 | 0 | 0 | 112.3 | L14 W17 N43 I47 Q48 L49 K53 F54 L55 | L14-Y51 HydrophobicContact CD2-CD2 4.24Å; W17-Y51 HydrophobicContact CB-CE2 3.75Å; W17-Y51 AromaticContact CD1-CE2 3.92Å; W17-Y51 AromaticContact CD2-CE2 3.75Å; W17-Y51 HydrophobicContact CD2-CE2 3.75Å; W17-Y51 HydrophobicContact CE3-CE2 4.13Å; W17-Y51 AromaticContact CE3-CZ 3.97Å; W17-Y51 AromaticContact CG-CE2 3.58Å; W17-Y51 HydrophobicContact CG-CE2 3.58Å; N43-Y51 WeakPolarHBondContact ND2-CD1 3.45Å; I47-Y51 VanDerWaalsContact O-CB 3.26Å; I47-Y51 WeakPolarHBondContact O-CB 3.41Å; I47-Y51 PolarHBondContact O-N 2.89Å; Q48-Y51 PolarHBondContact O-N 3.47Å; L49-Y51 VanDerWaalsContact C-N 3.29Å; L49-Y51 PolarHBondContact O-N 2.79Å; Y51-K53 VanDerWaalsContact C-N 3.31Å; Y51-K53 PolarHBondContact O-N 2.89Å; Y51-F54 CarbonylContact O-C 3.59Å; Y51-F54 WeakPolarHBondContact O-CB 3.3Å; Y51-F54 PolarHBondContact O-N 2.56Å; Y51-L55 HydrophobicContact CD1-CD1 4.24Å; Y51-L55 HydrophobicContact CD1-CG 4.49Å; Y51-L55 HydrophobicContact CE1-CD1 3.54Å; Y51-L55 HydrophobicContact CE1-CG 4.07Å; Y51-L55 HydrophobicContact CE2-CD2 4.37Å; Y51-L55 HydrophobicContact CE2-CG 4.33Å; Y51-L55 WeakPolarHBondContact O-CG 3.42Å; Y51-L55 PolarHBondContact O-N 2.88Å |
| 52 | I | 81.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.3 | -36.5 | 174.7 | -64.4 | 168.7 | 0 | 0 | 0 | 109.8 | Q48 L49 L55 Y56 L71 F84 L85 | Q48-I52 HydrophobicContact CG-CD1 3.5Å; Q48-I52 HydrophobicContact CG-CG1 4Å; Q48-I52 WeakPolarHBondContact O-CB 3.48Å; Q48-I52 VanDerWaalsContact O-CG1 3.28Å; Q48-I52 WeakPolarHBondContact O-CG1 3.28Å; Q48-I52 PolarHBondContact O-N 3.04Å; L49-I52 PolarHBondContact O-N 2.83Å; I52-L55 PolarHBondContact O-N 2.03Å; I52-Y56 HydrophobicContact CG2-CD2 3.89Å; I52-Y56 HydrophobicContact CG2-CE2 4.39Å; I52-Y56 PolarHBondContact O-N 2.78Å; I52-L71 HydrophobicContact CD1-CD2 3.6Å; I52-L71 HydrophobicContact CD1-CG 3.78Å; I52-F84 HydrophobicContact CB-CZ 4.28Å; I52-F84 HydrophobicContact CG2-CE2 3.88Å; I52-F84 HydrophobicContact CG2-CZ 3.78Å; I52-F84 WeakPolarHBondContact O-CE2 3.09Å; I52-L85 HydrophobicContact CG2-CD2 4.48Å |
| 53 | K | 84.3 | Confident | 79.3 | Confident | 90 Ų | 90 | 27 Ų | 27 | 39% | 0.391 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.7 | -34.3 | 171.1 | -167 | 160.3 | -170.4 | 162.9 | 0 | 112.2 | L49 T50 Y51 G57 D81 F84 | L49-K53 WeakPolarHBondContact O-CB 3.41Å; L49-K53 PolarHBondContact O-N 3.4Å; T50-K53 CarbonylContact O-C 3.55Å; Y51-K53 VanDerWaalsContact C-N 3.31Å; Y51-K53 PolarHBondContact O-N 2.89Å; K53-G57 WeakPolarHBondContact O-CA 3.08Å; K53-G57 PolarHBondContact O-N 3.31Å; K53-D81 IonicContact NZ-OD2 3.98Å; K53-D81 PolarHBondContact NZ-OD2 3.06Å; K53-F84 VanDerWaalsContact CA-CE2 3.43Å; K53-F84 HydrophobicContact CB-CD1 3.92Å; K53-F84 HydrophobicContact CB-CD2 4.15Å; K53-F84 HydrophobicContact CB-CE1 3.78Å; K53-F84 HydrophobicContact CB-CE2 4.04Å; K53-F84 HydrophobicContact CB-CG 4.09Å; K53-F84 HydrophobicContact CB-CZ 3.85Å; K53-F84 HydrophobicContact CD-CB 4.47Å; K53-F84 HydrophobicContact CD-CD1 3.6Å; K53-F84 HydrophobicContact CD-CE1 4.04Å; K53-F84 HydrophobicContact CD-CG 4.11Å; K53-F84 HydrophobicContact CG-CB 4.11Å; K53-F84 HydrophobicContact CG-CD1 3.64Å; K53-F84 HydrophobicContact CG-CD2 4.15Å; K53-F84 HydrophobicContact CG-CE1 4.04Å; K53-F84 HydrophobicContact CG-CG 3.68Å; K53-F84 HydrophobicContact CG-CZ 4.47Å |
| 54 | F | 76.4 | Confident | 80.3 | Confident | 40 Ų | 40 | 27.8 Ų | 27.8 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.4 | -47.8 | 169.5 | 178.6 | -94 | 0 | 0 | 0 | 111.1 | L14 N15 K20 T50 Y51 | L14-F54 WeakPolarHBondContact O-CD1 3.5Å; N15-F54 VanDerWaalsContact C-CE1 3.41Å; N15-F54 VanDerWaalsContact CA-CE2 3.45Å; N15-F54 VanDerWaalsContact CA-CZ 3.41Å; N15-F54 HydrophobicContact CB-CD2 4.31Å; N15-F54 HydrophobicContact CB-CE2 3.7Å; N15-F54 HydrophobicContact CB-CZ 3.96Å; N15-F54 WeakPolarHBondContact O-CZ 3.09Å; N15-F54 WeakPolarHBondContact OD1-CE2 3.36Å; K20-F54 WeakPolarHBondContact CE-O 3.35Å; K20-F54 PolarHBondContact NZ-O 2.86Å; T50-F54 VanDerWaalsContact O-CB 3.29Å; T50-F54 WeakPolarHBondContact O-CB 3.14Å; T50-F54 PolarHBondContact O-N 3.28Å; Y51-F54 CarbonylContact O-C 3.59Å; Y51-F54 WeakPolarHBondContact O-CB 3.3Å; Y51-F54 PolarHBondContact O-N 2.56Å |
| 55 | L | 77.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.1 | -57.7 | -180 | -75 | -175.2 | 0 | 0 | 0 | 112.3 | W17 S18 K20 V34 Y51 I52 C59 | W17-L55 HydrophobicContact CB-CD2 3.54Å; W17-L55 WeakPolarHBondContact O-CD2 3.38Å; S18-L55 VanDerWaalsContact CB-O 3.31Å; S18-L55 WeakPolarHBondContact CB-O 3.37Å; S18-L55 PolarHBondContact OG-O 3.05Å; K20-L55 WeakPolarHBondContact CE-O 3.46Å; V34-L55 HydrophobicContact CG1-CD1 4.18Å; V34-L55 HydrophobicContact CG1-CD2 4.01Å; Y51-L55 HydrophobicContact CD1-CD1 4.24Å; Y51-L55 HydrophobicContact CD1-CG 4.49Å; Y51-L55 HydrophobicContact CE1-CD1 3.54Å; Y51-L55 HydrophobicContact CE1-CG 4.07Å; Y51-L55 HydrophobicContact CE2-CD2 4.37Å; Y51-L55 HydrophobicContact CE2-CG 4.33Å; Y51-L55 WeakPolarHBondContact O-CG 3.42Å; Y51-L55 PolarHBondContact O-N 2.88Å; I52-L55 PolarHBondContact O-N 2.03Å; L55-C59 PolarHBondContact O-SG 3.01Å |
| 56 | Y | 87.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -110.7 | -10.2 | -163.5 | -55.7 | -65.1 | 0 | 0 | 0 | 113.8 | V34 I52 G58 C59 I62 N65 L66 V67 L85 | V34-Y56 HydrophobicContact CB-CE1 3.97Å; V34-Y56 HydrophobicContact CG1-CE1 3.9Å; V34-Y56 HydrophobicContact CG2-CD1 4.01Å; V34-Y56 HydrophobicContact CG2-CE1 3.67Å; I52-Y56 HydrophobicContact CG2-CD2 3.89Å; I52-Y56 HydrophobicContact CG2-CE2 4.39Å; I52-Y56 PolarHBondContact O-N 2.78Å; Y56-G58 PolarHBondContact O-N 3.39Å; Y56-C59 VanDerWaalsContact CA-SG 3.59Å; Y56-C59 VanDerWaalsContact O-CB 3.26Å; Y56-C59 WeakPolarHBondContact O-CB 3.49Å; Y56-C59 PolarHBondContact O-N 2.75Å; Y56-C59 VanDerWaalsContact O-N 3.12Å; Y56-C59 PolarHBondContact O-SG 2.74Å; Y56-I62 HydrophobicContact CD1-CD1 3.42Å; Y56-I62 VanDerWaalsContact CD1-CD1 3.42Å; Y56-I62 HydrophobicContact CD1-CG1 4.11Å; Y56-I62 HydrophobicContact CE1-CD1 3.7Å; Y56-I62 HydrophobicContact CE1-CG1 4.39Å; Y56-I62 HydrophobicContact CE1-CG2 4.29Å; Y56-I62 HydrophobicContact CG-CD1 4.39Å; Y56-N65 PolarHBondContact OH-O 2.81Å; Y56-L66 HydrophobicContact CD1-CD1 3.99Å; Y56-L66 HydrophobicContact CD2-CD1 4.03Å; Y56-L66 HydrophobicContact CE1-CD1 3.85Å; Y56-L66 HydrophobicContact CE2-CD1 3.9Å; Y56-L66 HydrophobicContact CG-CD1 4.07Å; Y56-V67 PolarHBondContact OH-N 3.37Å; Y56-L85 HydrophobicContact CD2-CD2 4.44Å; Y56-L85 HydrophobicContact CG-CD2 4.5Å |
| 57 | G | 84.6 | Confident | 83.9 | Confident | 17 Ų | 17 | 19.3 Ų | 19.3 | 18% | 0.175 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 118.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K20 K53 C59 | K20-G57 PolarHBondContact NZ-O 3.18Å; K53-G57 WeakPolarHBondContact O-CA 3.08Å; K53-G57 PolarHBondContact O-N 3.31Å; G57-C59 VanDerWaalsContact C-N 3.32Å |
| 58 | G | 85.4 | Confident | 84.9 | Confident | 33 Ų | 33 | 18.4 Ų | 18.4 | 34% | 0.34 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 4.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | K30 Y56 | K30-G58 VanDerWaalsContact CB-O 3.31Å; K30-G58 WeakPolarHBondContact CB-O 3.38Å; K30-G58 WeakPolarHBondContact CD-O 3.5Å; Y56-G58 PolarHBondContact O-N 3.39Å |
| 59 | C | 89.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -76.2 | 150 | 171.3 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | C32 L55 Y56 G57 K87 | C32-C59 HydrophobicContact CB-CB 3.69Å; C32-C59 WeakPolarHBondContact CB-SG 3.41Å; C32-C59 VanDerWaalsContact SG-CA 3.56Å; C32-C59 WeakPolarHBondContact SG-CB 3.12Å; C32-C59 CovalentContact SG-SG 2.01Å; C32-C59 PolarHBondContact SG-SG 3.18Å; L55-C59 PolarHBondContact O-SG 3.01Å; Y56-C59 VanDerWaalsContact CA-SG 3.59Å; Y56-C59 VanDerWaalsContact O-CB 3.26Å; Y56-C59 WeakPolarHBondContact O-CB 3.49Å; Y56-C59 PolarHBondContact O-N 2.75Å; Y56-C59 VanDerWaalsContact O-N 3.12Å; Y56-C59 PolarHBondContact O-SG 2.74Å; G57-C59 VanDerWaalsContact C-N 3.32Å; C59-K87 CarbonylContact O-C 3.49Å; C59-K87 WeakPolarHBondContact O-CB 2.86Å | ||
| 60 | T | 92.4 | Very high | 85.7 | Confident | 22 Ų | 22 | 16.9 Ų | 16.9 | 14% | 0.135 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -119.1 | -33.1 | 169.1 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | W28 K30 K87 E89 D90 | W28-T60 PolarHBondContact O-OG1 2.97Å; K30-T60 PolarHBondContact N-OG1 3.3Å; K30-T60 VanDerWaalsContact N-OG1 3.08Å; K30-T60 PolarHBondContact O-N 2.8Å; T60-K87 WeakPolarHBondContact CA-O 3.5Å; T60-K87 HydrophobicContact CG2-CB 4.44Å; T60-E89 PolarHBondContact O-N 2.84Å; T60-D90 PolarHBondContact O-N 3.27Å |
| 61 | H | 90.8 | Very high | 86.3 | Confident | 18 Ų | 18 | 13.4 Ų | 13.4 | 8% | 0.083 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.4 | 176 | -65.3 | 54.2 | 0 | 0 | 0 | 109 | I29 K30 A31 C32 | I29-H61 HydrophobicContact CG2-CB 4.3Å; K30-H61 PolarHBondContact O-N 2.03Å; A31-H61 WeakPolarHBondContact CA-O 3.45Å; C32-H61 PolarHBondContact N-O 3Å |
| 62 | I | 89.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 108.5 | 178.7 | -64.5 | 170.8 | 0 | 0 | 0 | 108.9 | C32 Y56 G64 L66 I88 D90 V91 S92 | C32-I62 WeakPolarHBondContact O-CA 3.31Å; Y56-I62 HydrophobicContact CD1-CD1 3.42Å; Y56-I62 VanDerWaalsContact CD1-CD1 3.42Å; Y56-I62 HydrophobicContact CD1-CG1 4.11Å; Y56-I62 HydrophobicContact CE1-CD1 3.7Å; Y56-I62 HydrophobicContact CE1-CG1 4.39Å; Y56-I62 HydrophobicContact CE1-CG2 4.29Å; Y56-I62 HydrophobicContact CG-CD1 4.39Å; I62-G64 PolarHBondContact O-N 3.03Å; I62-L66 HydrophobicContact CD1-CB 3.91Å; I62-L66 HydrophobicContact CD1-CD1 3.82Å; I62-L66 HydrophobicContact CD1-CD2 4.41Å; I62-L66 HydrophobicContact CD1-CG 4.25Å; I62-I88 HydrophobicContact CD1-CD1 3.94Å; I62-I88 HydrophobicContact CD1-CG1 4.13Å; I62-I88 HydrophobicContact CD1-CG2 3.71Å; I62-I88 HydrophobicContact CG1-CG2 4.29Å; I62-D90 PolarHBondContact N-O 2.03Å; I62-V91 HydrophobicContact CB-CG2 4.29Å; I62-V91 HydrophobicContact CD1-CG2 4.2Å; I62-S92 PolarHBondContact O-N 3.35Å; I62-S92 VanDerWaalsContact O-N 3.09Å; I62-S92 PolarHBondContact O-OG 2.86Å |
| 63 | I | 86.7 | Confident | 87 | Confident | 24 Ų | 24 | 17.8 Ų | 17.8 | 12% | 0.123 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 91.1 | 175.5 | -52.8 | -58.2 | 0 | 0 | 0 | 107.2 | A31 C32 R33 F302 H303 | A31-I63 HydrophobicContact CB-CG1 4.38Å; C32-I63 PolarHBondContact O-N 3.06Å; R33-I63 WeakPolarHBondContact CA-O 3.28Å; I63-F302 HydrophobicContact CD1-CE1 4.34Å; I63-F302 HydrophobicContact CG1-CE1 4.2Å; I63-F302 HydrophobicContact CG1-CZ 4.21Å; I63-H303 HydrophobicContact CD1-CB 4.23Å |
| 64 | G | 84 | Confident | 86.9 | Confident | 19 Ų | 19 | 14.8 Ų | 14.8 | 20% | 0.196 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125 | -144.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I62 S92 G93 | I62-G64 PolarHBondContact O-N 3.03Å; G64-S92 PolarHBondContact N-OG 2.78Å; G64-G93 WeakPolarHBondContact O-CA 3.48Å; G64-G93 PolarHBondContact O-N 3.42Å |
| 65 | N | 88.9 | Confident | 87 | Confident | 9 Ų | 9 | 20.2 Ų | 20.2 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | trans | -109.2 | 135.1 | -164.5 | -50.3 | -25.8 | 0 | 0 | 0 | 111.6 | Y56 V67 G93 Y94 | Y56-N65 PolarHBondContact OH-O 2.81Å; N65-V67 HydrophobicContact CB-CG2 3.67Å; N65-G93 WeakPolarHBondContact OD1-CA 3.02Å; N65-Y94 HydrophobicContact CB-CD1 4.41Å; N65-Y94 HydrophobicContact CB-CD2 4.26Å; N65-Y94 HydrophobicContact CB-CE1 4.06Å; N65-Y94 HydrophobicContact CB-CE2 3.88Å; N65-Y94 HydrophobicContact CB-CG 4.49Å; N65-Y94 WeakPolarHBondContact ND2-CE1 3.42Å; N65-Y94 PolarHBondContact ND2-OH 3.43Å; N65-Y94 VanDerWaalsContact ND2-OH 3.11Å | ||
| 66 | L | 92.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.3 | 169.1 | 172.5 | 59.1 | 0 | 0 | 0 | 109.3 | Y56 I62 I68 I88 V91 Y94 V95 Y96 L107 | Y56-L66 HydrophobicContact CD1-CD1 3.99Å; Y56-L66 HydrophobicContact CD2-CD1 4.03Å; Y56-L66 HydrophobicContact CE1-CD1 3.85Å; Y56-L66 HydrophobicContact CE2-CD1 3.9Å; Y56-L66 HydrophobicContact CG-CD1 4.07Å; I62-L66 HydrophobicContact CD1-CB 3.91Å; I62-L66 HydrophobicContact CD1-CD1 3.82Å; I62-L66 HydrophobicContact CD1-CD2 4.41Å; I62-L66 HydrophobicContact CD1-CG 4.25Å; L66-I68 HydrophobicContact CD1-CD1 4.17Å; L66-I68 HydrophobicContact CD1-CG1 4.08Å; L66-I68 HydrophobicContact CG-CD1 4.42Å; L66-I68 HydrophobicContact CG-CG1 4.46Å; L66-I88 HydrophobicContact CD1-CD1 4.04Å; L66-I88 HydrophobicContact CD2-CD1 4.3Å; L66-I88 HydrophobicContact CD2-CG2 4.42Å; L66-V91 HydrophobicContact CB-CB 4.47Å; L66-V91 HydrophobicContact CB-CG1 3.85Å; L66-V91 HydrophobicContact CB-CG2 3.72Å; L66-V91 HydrophobicContact CD2-CG2 3.95Å; L66-V91 HydrophobicContact CG-CG2 4.49Å; L66-Y94 PolarHBondContact N-O 3.12Å; L66-V95 HydrophobicContact CB-CG2 4.2Å; L66-V95 HydrophobicContact CD2-CG1 4.33Å; L66-V95 HydrophobicContact CD2-CG2 4.28Å; L66-V95 HydrophobicContact CG-CG1 4.42Å; L66-V95 CarbonylContact O-C 3.57Å; L66-V95 VanDerWaalsContact O-CA 3.28Å; L66-V95 WeakPolarHBondContact O-CA 3.46Å; L66-Y96 PolarHBondContact O-N 2.81Å; L66-L107 HydrophobicContact CD2-CD1 3.96Å; L66-L107 HydrophobicContact CD2-CD2 3.9Å |
| 67 | V | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 108.4 | -162.5 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | R37 C39 Y56 N65 Y94 Y96 | R37-V67 HydrophobicContact CB-CB 3.71Å; R37-V67 HydrophobicContact CB-CG1 3.7Å; R37-V67 HydrophobicContact CB-CG2 4.03Å; R37-V67 HydrophobicContact CG-CB 4.12Å; R37-V67 HydrophobicContact CG-CG1 3.68Å; R37-V67 PolarHBondContact NH1-O 2.73Å; R37-V67 WeakPolarHBondContact O-CG1 3.38Å; C39-V67 HydrophobicContact CB-CG1 4.16Å; C39-V67 WeakPolarHBondContact SG-CG1 3.27Å; Y56-V67 PolarHBondContact OH-N 3.37Å; N65-V67 HydrophobicContact CB-CG2 3.67Å; V67-Y94 HydrophobicContact CG2-CE2 3.92Å; V67-Y96 WeakPolarHBondContact CA-O 3.46Å |
| 68 | I | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.7 | -171.1 | -52.1 | 175.7 | 0 | 0 | 0 | 109.6 | L66 L71 L85 Y96 I97 G98 N100 I105 L107 | L66-I68 HydrophobicContact CD1-CD1 4.17Å; L66-I68 HydrophobicContact CD1-CG1 4.08Å; L66-I68 HydrophobicContact CG-CD1 4.42Å; L66-I68 HydrophobicContact CG-CG1 4.46Å; I68-L71 HydrophobicContact CG2-CD1 3.32Å; I68-L71 HydrophobicContact CG2-CG 4Å; I68-L85 HydrophobicContact CD1-CD1 3.83Å; I68-Y96 PolarHBondContact N-O 2.86Å; I68-I97 HydrophobicContact CB-CG1 4.4Å; I68-I97 VanDerWaalsContact O-CA 3.29Å; I68-I97 WeakPolarHBondContact O-CA 3.47Å; I68-G98 PolarHBondContact O-N 2.03Å; I68-N100 PolarHBondContact O-ND2 3.05Å; I68-I105 HydrophobicContact CD1-CG2 4.26Å; I68-I105 HydrophobicContact CG2-CD1 3.8Å; I68-L107 HydrophobicContact CD1-CD1 4.04Å |
| 69 | C | 88.9 | Confident | 86.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 152 | -171.6 | 33.9 | 0 | 0 | 0 | 0 | 111.3 | R37 C39 Q48 L71 G98 N100 | R37-C69 PolarHBondContact NH1-O 2.91Å; R37-C69 PolarHBondContact NH1-SG 2.85Å; R37-C69 VanDerWaalsContact NH1-SG 3.44Å; R37-C69 PolarHBondContact NH2-O 2.91Å; R37-C69 PolarHBondContact NH2-SG 2.93Å; C39-C69 WeakPolarHBondContact CA-SG 3.5Å; C39-C69 HydrophobicContact CB-CB 3.81Å; C39-C69 WeakPolarHBondContact CB-SG 3.34Å; C39-C69 WeakPolarHBondContact O-CB 3.47Å; C39-C69 PolarHBondContact O-SG 2.95Å; C39-C69 VanDerWaalsContact O-SG 3.33Å; C39-C69 WeakPolarHBondContact SG-CB 3.22Å; C39-C69 CovalentContact SG-SG 2.02Å; C39-C69 PolarHBondContact SG-SG 2.98Å; Q48-C69 PolarHBondContact NE2-O 3.21Å; Q48-C69 VanDerWaalsContact NE2-O 3.07Å; C69-L71 PolarHBondContact O-N 3.48Å; C69-G98 WeakPolarHBondContact CA-O 3.03Å; C69-G98 WeakPolarHBondContact CB-O 3.23Å; C69-N100 WeakPolarHBondContact CA-OD1 3.49Å; C69-N100 PolarHBondContact N-OD1 2.86Å |
| 70 | G | 85.7 | Confident | 86.6 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | trans | 53.8 | 31.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q48 Q99 N100 | Q48-G70 VanDerWaalsContact NE2-C 3.32Å; Q48-G70 VanDerWaalsContact NE2-CA 3.27Å; Q48-G70 PolarHBondContact NE2-O 3.5Å; G70-Q99 VanDerWaalsContact CA-O 3.29Å; G70-Q99 WeakPolarHBondContact CA-O 3.49Å; G70-Q99 PolarHBondContact N-O 3.14Å; G70-N100 PolarHBondContact N-OD1 2.79Å | ||
| 71 | L | 88 | Confident | 86.4 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | -77.7 | 126.9 | 156.8 | -72.3 | 177.5 | 0 | 0 | 0 | 107.9 | L49 I52 I68 C69 L82 N100 S101 V102 I105 | L49-L71 HydrophobicContact CD1-CD2 4.14Å; I52-L71 HydrophobicContact CD1-CD2 3.6Å; I52-L71 HydrophobicContact CD1-CG 3.78Å; I68-L71 HydrophobicContact CG2-CD1 3.32Å; I68-L71 HydrophobicContact CG2-CG 4Å; C69-L71 PolarHBondContact O-N 3.48Å; L71-L82 HydrophobicContact CD1-CD1 3.75Å; L71-L82 HydrophobicContact CD1-CD2 3.59Å; L71-L82 HydrophobicContact CD1-CG 4.33Å; L71-L82 HydrophobicContact CD2-CD2 3.97Å; L71-L82 HydrophobicContact CG-CD2 4.46Å; L71-N100 HydrophobicContact CB-CB 4.37Å; L71-N100 VanDerWaalsContact CB-OD1 3.3Å; L71-N100 WeakPolarHBondContact CB-OD1 3.28Å; L71-N100 PolarHBondContact N-OD1 3.28Å; L71-N100 CarbonylContact O-C 3.42Å; L71-N100 WeakPolarHBondContact O-CA 3.42Å; L71-N100 WeakPolarHBondContact O-CB 3.48Å; L71-S101 PolarHBondContact O-N 3.22Å; L71-V102 HydrophobicContact CB-CG1 3.98Å; L71-V102 HydrophobicContact CB-CG2 4.4Å; L71-I105 HydrophobicContact CD1-CD1 4.23Å; L71-I105 HydrophobicContact CD1-CG1 4.36Å | ||
| 72 | E | 85.2 | Confident | 86.3 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 16% | 0.159 | 19% | 0.191 | C | C | . | . | trans | -133.1 | 174.4 | -176.1 | -61 | -179.5 | 107 | 0 | 0 | 109.1 | K45 S101 V102 E1345 S1346 H1347 | K45-E72 IonicContact NZ-OE1 3.86Å; K45-E72 PolarHBondContact NZ-OE1 3.29Å; K45-E72 IonicContact NZ-OE2 2.81Å; K45-E72 PolarHBondContact NZ-OE2 3.34Å; E72-S101 WeakPolarHBondContact CA-OG 3Å; E72-S101 WeakPolarHBondContact CB-OG 3.01Å; E72-V102 WeakPolarHBondContact O-CG1 3.05Å; E72-E1345 HydrophobicContact CB-CB 3.14Å; E72-E1345 HydrophobicContact CB-CG 4.11Å; E72-E1345 WeakPolarHBondContact CB-OE2 2.99Å; E72-E1345 HydrophobicContact CG-CB 4.2Å; E72-S1346 VanDerWaalsContact OE2-CA 3.25Å; E72-S1346 WeakPolarHBondContact OE2-CA 3.33Å; E72-S1346 PolarHBondContact OE2-N 3.43Å; E72-H1347 PolarHBondContact OE2-N 3.41Å | ||
| 73 | K | 86.2 | Confident | 86.4 | Confident | 59 Ų | 59 | 35.6 Ų | 35.6 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | trans | -86.5 | 155.4 | -169.3 | -77.7 | 173.8 | 173.7 | 153.8 | 0 | 113.1 | D79 S101 S1344 E1345 | K73-D79 WeakPolarHBondContact CE-OD1 3.47Å; K73-S101 WeakPolarHBondContact CE-O 2.98Å; K73-S101 PolarHBondContact N-OG 3.25Å; K73-S101 PolarHBondContact NZ-O 2.91Å; K73-S1344 CarbonylContact O-C 3.59Å; K73-S1344 PolarHBondContact O-OG 3.42Å; K73-E1345 PolarHBondContact N-OE2 3.32Å; K73-E1345 WeakPolarHBondContact O-CB 3.05Å; K73-E1345 WeakPolarHBondContact O-CG 3.38Å; K73-E1345 PolarHBondContact O-N 3.17Å | ||
| 74 | L | 82.2 | Confident | 86.4 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | trans | -70.1 | 161.1 | 174.6 | -55.8 | -170.7 | 0 | 0 | 0 | 111.4 | N76 G77 S78 P80 S1343 S1344 | L74-N76 VanDerWaalsContact CB-OD1 3.26Å; L74-N76 WeakPolarHBondContact CB-OD1 3.39Å; L74-N76 PolarHBondContact O-N 2.86Å; L74-G77 WeakPolarHBondContact O-CA 3.28Å; L74-G77 PolarHBondContact O-N 3.23Å; L74-S78 WeakPolarHBondContact CB-O 3.43Å; L74-S78 PolarHBondContact N-O 3.36Å; L74-P80 HydrophobicContact CD2-CB 3.96Å; L74-P80 HydrophobicContact CG-CB 4.48Å; L74-S1343 CarbonylContact C-O 3.57Å; L74-S1343 WeakPolarHBondContact CA-O 3.5Å; L74-S1343 VanDerWaalsContact CB-O 3.27Å; L74-S1343 WeakPolarHBondContact CB-O 3.32Å; L74-S1343 WeakPolarHBondContact CD2-O 2.98Å; L74-S1344 WeakPolarHBondContact CD2-O 3.43Å | ||
| 75 | E | 78.7 | Confident | 86.8 | Confident | 153 Ų | 153 | 34.4 Ų | 34.4 | 72% | 0.715 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22 | -171.7 | -73.9 | 164.2 | -154.8 | 0 | 0 | 113.6 | G77 S1343 S1344 | E75-G77 VanDerWaalsContact C-N 3.34Å; E75-S1343 PolarHBondContact N-O 2.97Å; E75-S1343 WeakPolarHBondContact OE1-CA 3.4Å; E75-S1344 WeakPolarHBondContact CA-OG 3.44Å; E75-S1344 WeakPolarHBondContact CG-OG 3.46Å; E75-S1344 PolarHBondContact N-OG 3.29Å; E75-S1344 PolarHBondContact OE1-N 2.94Å; E75-S1344 VanDerWaalsContact OE1-N 3.11Å |
| 76 | N | 81.4 | Confident | 87 | Confident | 114 Ų | 114 | 38.6 Ų | 38.6 | 61% | 0.61 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.3 | 175.5 | 64.8 | -3 | 0 | 0 | 0 | 113.7 | L74 S78 | L74-N76 VanDerWaalsContact CB-OD1 3.26Å; L74-N76 WeakPolarHBondContact CB-OD1 3.39Å; L74-N76 PolarHBondContact O-N 2.86Å; N76-S78 PolarHBondContact ND2-OG 2.84Å; N76-S78 VanDerWaalsContact ND2-OG 3.16Å; N76-S78 PolarHBondContact OD1-N 3.38Å; N76-S78 PolarHBondContact OD1-OG 2.96Å |
| 77 | G | 78.1 | Confident | 87 | Confident | 51 Ų | 51 | 45 Ų | 45 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 85.5 | 4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | L74 E75 | L74-G77 WeakPolarHBondContact O-CA 3.28Å; L74-G77 PolarHBondContact O-N 3.23Å; E75-G77 VanDerWaalsContact C-N 3.34Å |
| 78 | S | 84.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 45 Ų | 45 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -86 | 156.9 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | L74 N76 | L74-S78 WeakPolarHBondContact CB-O 3.43Å; L74-S78 PolarHBondContact N-O 3.36Å; N76-S78 PolarHBondContact ND2-OG 2.84Å; N76-S78 VanDerWaalsContact ND2-OG 3.16Å; N76-S78 PolarHBondContact OD1-N 3.38Å; N76-S78 PolarHBondContact OD1-OG 2.96Å |
| 79 | D | 86.5 | Confident | 87.3 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 152.3 | 171.2 | -65.7 | -18.3 | 0 | 0 | 0 | 111.1 | K73 V102 K103 T104 | K73-D79 WeakPolarHBondContact CE-OD1 3.47Å; D79-V102 HydrophobicContact CB-CB 4.43Å; D79-V102 WeakPolarHBondContact OD1-CA 3.43Å; D79-K103 VanDerWaalsContact CG-N 3.34Å; D79-K103 PolarHBondContact OD1-N 2.85Å; D79-K103 WeakPolarHBondContact OD2-CB 3.01Å; D79-K103 PolarHBondContact OD2-N 3.38Å; D79-T104 PolarHBondContact OD2-N 3.45Å; D79-T104 PolarHBondContact OD2-OG1 2.96Å |
| 80 | P | 86.8 | Confident | 87.5 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 161.8 | 176 | 29.5 | -35.2 | 0 | 0 | 0 | 113.5 | L49 L74 L82 V102 | L49-P80 HydrophobicContact CD1-CB 3.82Å; L49-P80 HydrophobicContact CD1-CG 4.29Å; L49-P80 HydrophobicContact CD2-CB 3.64Å; L49-P80 HydrophobicContact CG-CB 4.31Å; L74-P80 HydrophobicContact CD2-CB 3.96Å; L74-P80 HydrophobicContact CG-CB 4.48Å; P80-L82 HydrophobicContact CG-CD2 4.28Å; P80-L82 HydrophobicContact CG-CG 4.43Å; P80-L82 PolarHBondContact O-N 2.58Å; P80-L82 VanDerWaalsContact O-N 3.13Å; P80-V102 VanDerWaalsContact CD-CG1 3.43Å; P80-V102 HydrophobicContact CG-CG1 3.94Å |
| 81 | D | 86.8 | Confident | 87.9 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 41% | 0.406 | 26% | 0.257 | S | S | . | . | trans | -68.4 | 105 | 172 | 165.8 | 42 | 0 | 0 | 0 | 111.7 | K53 S83 F84 | K53-D81 IonicContact NZ-OD2 3.98Å; K53-D81 PolarHBondContact NZ-OD2 3.06Å; D81-S83 WeakPolarHBondContact OD1-CB 3.1Å; D81-S83 PolarHBondContact OD1-N 3.31Å; D81-S83 PolarHBondContact OD1-OG 3.4Å; D81-F84 WeakPolarHBondContact O-CE1 2.99Å | ||
| 82 | L | 90.2 | Very high | 88 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | trans | -102.4 | 9.4 | 175.6 | -59 | 179.3 | 0 | 0 | 0 | 113.6 | L49 L71 P80 F84 L85 I105 | L49-L82 HydrophobicContact CD1-CD2 3.74Å; L71-L82 HydrophobicContact CD1-CD1 3.75Å; L71-L82 HydrophobicContact CD1-CD2 3.59Å; L71-L82 HydrophobicContact CD1-CG 4.33Å; L71-L82 HydrophobicContact CD2-CD2 3.97Å; L71-L82 HydrophobicContact CG-CD2 4.46Å; P80-L82 HydrophobicContact CG-CD2 4.28Å; P80-L82 HydrophobicContact CG-CG 4.43Å; P80-L82 PolarHBondContact O-N 2.58Å; P80-L82 VanDerWaalsContact O-N 3.13Å; L82-F84 HydrophobicContact CD2-CE1 4.09Å; L82-F84 HydrophobicContact CD2-CZ 4.21Å; L82-F84 PolarHBondContact O-N 3.18Å; L82-L85 HydrophobicContact CB-CD1 4.19Å; L82-L85 WeakPolarHBondContact O-CB 3.38Å; L82-L85 PolarHBondContact O-N 3.49Å; L82-I105 HydrophobicContact CD1-CG1 3.92Å | ||
| 83 | S | 90 | Very high | 88.2 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58 | -22.3 | -174.8 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | D81 L85 E86 | D81-S83 WeakPolarHBondContact OD1-CB 3.1Å; D81-S83 PolarHBondContact OD1-N 3.31Å; D81-S83 PolarHBondContact OD1-OG 3.4Å; S83-L85 PolarHBondContact O-N 3.34Å; S83-E86 WeakPolarHBondContact CA-OE1 3.39Å; S83-E86 WeakPolarHBondContact CB-OE1 3.05Å; S83-E86 VanDerWaalsContact O-CB 3.22Å; S83-E86 WeakPolarHBondContact O-CB 3.5Å; S83-E86 VanDerWaalsContact O-CG 3.23Å; S83-E86 WeakPolarHBondContact O-CG 3.33Å; S83-E86 PolarHBondContact O-N 3.25Å |
| 84 | F | 88.7 | Confident | 88.6 | Confident | 18 Ų | 18 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -65.5 | -18.1 | 175.1 | 68.1 | -94.5 | 0 | 0 | 0 | 113.8 | L49 I52 K53 D81 L82 | L49-F84 HydrophobicContact CD1-CE1 4.01Å; L49-F84 HydrophobicContact CD1-CZ 4.49Å; I52-F84 HydrophobicContact CB-CZ 4.28Å; I52-F84 HydrophobicContact CG2-CE2 3.88Å; I52-F84 HydrophobicContact CG2-CZ 3.78Å; I52-F84 WeakPolarHBondContact O-CE2 3.09Å; K53-F84 VanDerWaalsContact CA-CE2 3.43Å; K53-F84 HydrophobicContact CB-CD1 3.92Å; K53-F84 HydrophobicContact CB-CD2 4.15Å; K53-F84 HydrophobicContact CB-CE1 3.78Å; K53-F84 HydrophobicContact CB-CE2 4.04Å; K53-F84 HydrophobicContact CB-CG 4.09Å; K53-F84 HydrophobicContact CB-CZ 3.85Å; K53-F84 HydrophobicContact CD-CB 4.47Å; K53-F84 HydrophobicContact CD-CD1 3.6Å; K53-F84 HydrophobicContact CD-CE1 4.04Å; K53-F84 HydrophobicContact CD-CG 4.11Å; K53-F84 HydrophobicContact CG-CB 4.11Å; K53-F84 HydrophobicContact CG-CD1 3.64Å; K53-F84 HydrophobicContact CG-CD2 4.15Å; K53-F84 HydrophobicContact CG-CE1 4.04Å; K53-F84 HydrophobicContact CG-CG 3.68Å; K53-F84 HydrophobicContact CG-CZ 4.47Å; D81-F84 WeakPolarHBondContact O-CE1 2.99Å; L82-F84 HydrophobicContact CD2-CE1 4.09Å; L82-F84 HydrophobicContact CD2-CZ 4.21Å; L82-F84 PolarHBondContact O-N 3.18Å |
| 85 | L | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -79.1 | -16.4 | 172.9 | -62.3 | 179.7 | 0 | 0 | 0 | 112.8 | I52 Y56 I68 L82 S83 K87 I88 L107 | I52-L85 HydrophobicContact CG2-CD2 4.48Å; Y56-L85 HydrophobicContact CD2-CD2 4.44Å; Y56-L85 HydrophobicContact CG-CD2 4.5Å; I68-L85 HydrophobicContact CD1-CD1 3.83Å; L82-L85 HydrophobicContact CB-CD1 4.19Å; L82-L85 WeakPolarHBondContact O-CB 3.38Å; L82-L85 PolarHBondContact O-N 3.49Å; S83-L85 PolarHBondContact O-N 3.34Å; L85-K87 PolarHBondContact O-N 3.16Å; L85-I88 HydrophobicContact CB-CD1 4.18Å; L85-I88 HydrophobicContact CD2-CD1 3.67Å; L85-I88 WeakPolarHBondContact O-CG1 3.34Å; L85-I88 PolarHBondContact O-N 3.11Å; L85-L107 HydrophobicContact CB-CD2 3.88Å; L85-L107 HydrophobicContact CD1-CD2 4.39Å |
| 86 | E | 92.3 | Very high | 89.9 | Confident | 97 Ų | 97 | 36 Ų | 36 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -8.6 | -174.6 | -63.9 | 172.7 | -168.2 | 0 | 0 | 114.5 | S83 P108 S109 | S83-E86 WeakPolarHBondContact CA-OE1 3.39Å; S83-E86 WeakPolarHBondContact CB-OE1 3.05Å; S83-E86 VanDerWaalsContact O-CB 3.22Å; S83-E86 WeakPolarHBondContact O-CB 3.5Å; S83-E86 VanDerWaalsContact O-CG 3.23Å; S83-E86 WeakPolarHBondContact O-CG 3.33Å; S83-E86 PolarHBondContact O-N 3.25Å; E86-P108 HydrophobicContact CB-CG 4.1Å; E86-P108 HydrophobicContact CG-CG 3.81Å; E86-S109 WeakPolarHBondContact O-CB 3.41Å; E86-S109 PolarHBondContact O-OG 3.4Å |
| 87 | K | 92.5 | Very high | 90.4 | Very high | 133 Ų | 133 | 30.6 Ų | 30.6 | 58% | 0.578 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.4 | -178.7 | -62.3 | -173.4 | 179.6 | -177.3 | 0 | 114 | C59 T60 L85 E89 | C59-K87 CarbonylContact O-C 3.49Å; C59-K87 WeakPolarHBondContact O-CB 2.86Å; T60-K87 WeakPolarHBondContact CA-O 3.5Å; T60-K87 HydrophobicContact CG2-CB 4.44Å; L85-K87 PolarHBondContact O-N 3.16Å; K87-E89 PolarHBondContact O-N 3.47Å |
| 88 | I | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -72.7 | 126.2 | -179.8 | -56.3 | 163.4 | 0 | 0 | 0 | 108.9 | I62 L66 L85 V91 L107 S109 L110 | I62-I88 HydrophobicContact CD1-CD1 3.94Å; I62-I88 HydrophobicContact CD1-CG1 4.13Å; I62-I88 HydrophobicContact CD1-CG2 3.71Å; I62-I88 HydrophobicContact CG1-CG2 4.29Å; L66-I88 HydrophobicContact CD1-CD1 4.04Å; L66-I88 HydrophobicContact CD2-CD1 4.3Å; L66-I88 HydrophobicContact CD2-CG2 4.42Å; L85-I88 HydrophobicContact CB-CD1 4.18Å; L85-I88 HydrophobicContact CD2-CD1 3.67Å; L85-I88 WeakPolarHBondContact O-CG1 3.34Å; L85-I88 PolarHBondContact O-N 3.11Å; I88-V91 HydrophobicContact CG2-CG2 4.12Å; I88-L107 HydrophobicContact CD1-CD2 3.87Å; I88-S109 CarbonylContact O-C 3.55Å; I88-L110 HydrophobicContact CG2-CD1 4.2Å; I88-L110 WeakPolarHBondContact O-CA 3.43Å; I88-L110 PolarHBondContact O-N 3.49Å; I88-L110 VanDerWaalsContact O-N 3.07Å | ||
| 89 | E | 94.1 | Very high | 91.1 | Very high | 62 Ų | 62 | 28.4 Ų | 28.4 | 29% | 0.29 | 14% | 0.142 | S | C | . | . | trans | -116.1 | -35.8 | -179.3 | -55.8 | -158 | 130.9 | 0 | 0 | 113 | T60 K87 K111 V112 | T60-E89 PolarHBondContact O-N 2.84Å; K87-E89 PolarHBondContact O-N 3.47Å; E89-K111 HydrophobicContact CB-CD 4.25Å; E89-K111 HydrophobicContact CB-CG 4.34Å; E89-K111 WeakPolarHBondContact O-CB 3.36Å; E89-K111 PolarHBondContact O-N 2.8Å; E89-K111 WeakPolarHBondContact OE1-CE 3.45Å; E89-K111 IonicContact OE1-NZ 2.62Å; E89-K111 PolarHBondContact OE1-NZ 3.31Å; E89-K111 IonicContact OE2-NZ 2.77Å; E89-K111 PolarHBondContact OE2-NZ 2.87Å; E89-V112 PolarHBondContact O-N 2.98Å | ||
| 90 | D | 92.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 5% | 0.053 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.7 | -177.9 | -156.2 | -63.8 | 0 | 0 | 0 | 111.8 | T60 I62 R114 | T60-D90 PolarHBondContact O-N 3.27Å; I62-D90 PolarHBondContact N-O 2.03Å; D90-R114 IonicContact OD1-NE 2.62Å; D90-R114 PolarHBondContact OD1-NE 2.85Å; D90-R114 IonicContact OD2-CZ 2.63Å; D90-R114 IonicContact OD2-NE 3.94Å; D90-R114 IonicContact OD2-NH2 3.51Å |
| 91 | V | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 117.2 | 177.8 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | I62 L66 I88 V95 L110 R114 | I62-V91 HydrophobicContact CB-CG2 4.29Å; I62-V91 HydrophobicContact CD1-CG2 4.2Å; L66-V91 HydrophobicContact CB-CB 4.47Å; L66-V91 HydrophobicContact CB-CG1 3.85Å; L66-V91 HydrophobicContact CB-CG2 3.72Å; L66-V91 HydrophobicContact CD2-CG2 3.95Å; L66-V91 HydrophobicContact CG-CG2 4.49Å; I88-V91 HydrophobicContact CG2-CG2 4.12Å; V91-V95 HydrophobicContact CB-CG2 4.26Å; V91-V95 HydrophobicContact CG1-CG2 4.12Å; V91-V95 HydrophobicContact CG2-CG2 4.2Å; V91-L110 HydrophobicContact CG2-CD1 3.8Å; V91-R114 PolarHBondContact O-N 3.47Å |
| 92 | S | 91 | Very high | 91.5 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 5% | 0.049 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -79.3 | -38 | -174.3 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | I62 G64 R114 G115 E116 H303 | I62-S92 PolarHBondContact O-N 3.35Å; I62-S92 VanDerWaalsContact O-N 3.09Å; I62-S92 PolarHBondContact O-OG 2.86Å; G64-S92 PolarHBondContact N-OG 2.78Å; S92-R114 WeakPolarHBondContact O-CB 3.46Å; S92-G115 PolarHBondContact O-N 3.2Å; S92-E116 PolarHBondContact O-N 3.45Å; S92-H303 WeakPolarHBondContact CB-NE2 3.34Å |
| 93 | G | 89.6 | Confident | 91.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -80.9 | -141 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G64 N65 I113 G115 P117 | G64-G93 WeakPolarHBondContact O-CA 3.48Å; G64-G93 PolarHBondContact O-N 3.42Å; N65-G93 WeakPolarHBondContact OD1-CA 3.02Å; G93-I113 WeakPolarHBondContact O-CG2 3.46Å; G93-G115 VanDerWaalsContact O-CA 3.25Å; G93-G115 WeakPolarHBondContact O-CA 3.46Å; G93-G115 PolarHBondContact O-N 3.3Å; G93-P117 CarbonylContact C-O 3.57Å |
| 94 | Y | 92.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 26.4 Ų | 26.4 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | trans | -95.1 | 160 | 176.7 | 61.2 | -98.3 | 0 | 0 | 0 | 112.7 | E36 N65 L66 V67 P117 Y119 A127 | E36-Y94 WeakPolarHBondContact CG-OH 3.48Å; N65-Y94 HydrophobicContact CB-CD1 4.41Å; N65-Y94 HydrophobicContact CB-CD2 4.26Å; N65-Y94 HydrophobicContact CB-CE1 4.06Å; N65-Y94 HydrophobicContact CB-CE2 3.88Å; N65-Y94 HydrophobicContact CB-CG 4.49Å; N65-Y94 WeakPolarHBondContact ND2-CE1 3.42Å; N65-Y94 PolarHBondContact ND2-OH 3.43Å; N65-Y94 VanDerWaalsContact ND2-OH 3.11Å; L66-Y94 PolarHBondContact N-O 3.12Å; V67-Y94 HydrophobicContact CG2-CE2 3.92Å; Y94-P117 PolarHBondContact N-O 3.42Å; Y94-Y119 HydrophobicContact CD1-CD2 4.44Å; Y94-Y119 HydrophobicContact CD2-CD2 4.15Å; Y94-Y119 HydrophobicContact CD2-CG 4.41Å; Y94-Y119 AromaticContact CE1-CD2 3.97Å; Y94-Y119 HydrophobicContact CE1-CD2 3.97Å; Y94-Y119 AromaticContact CE2-CD2 3.68Å; Y94-Y119 HydrophobicContact CE2-CD2 3.68Å; Y94-Y119 HydrophobicContact CE2-CG 4.38Å; Y94-Y119 AromaticContact CZ-CD2 3.6Å; Y94-A127 CarbonylContact C-O 3.59Å; Y94-A127 WeakPolarHBondContact CA-O 3.45Å | ||
| 95 | V | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.8 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 109 | L66 V91 I97 L110 I113 A127 L128 V129 | L66-V95 HydrophobicContact CB-CG2 4.2Å; L66-V95 HydrophobicContact CD2-CG1 4.33Å; L66-V95 HydrophobicContact CD2-CG2 4.28Å; L66-V95 HydrophobicContact CG-CG1 4.42Å; L66-V95 CarbonylContact O-C 3.57Å; L66-V95 VanDerWaalsContact O-CA 3.28Å; L66-V95 WeakPolarHBondContact O-CA 3.46Å; V91-V95 HydrophobicContact CB-CG2 4.26Å; V91-V95 HydrophobicContact CG1-CG2 4.12Å; V91-V95 HydrophobicContact CG2-CG2 4.2Å; V95-I97 HydrophobicContact CG1-CD1 4.18Å; V95-I97 HydrophobicContact CG1-CG1 4.06Å; V95-L110 HydrophobicContact CG2-CD2 4.42Å; V95-I113 HydrophobicContact CB-CD1 3.93Å; V95-I113 HydrophobicContact CG2-CB 4.4Å; V95-I113 HydrophobicContact CG2-CD1 3.44Å; V95-I113 VanDerWaalsContact CG2-CD1 3.44Å; V95-I113 HydrophobicContact CG2-CG1 3.59Å; V95-I113 HydrophobicContact CG2-CG2 3.92Å; V95-A127 PolarHBondContact N-O 2.86Å; V95-L128 HydrophobicContact CB-CD1 3.89Å; V95-L128 HydrophobicContact CG1-CD1 3.77Å; V95-L128 WeakPolarHBondContact O-CA 3.37Å; V95-V129 PolarHBondContact O-N 2.03Å |
| 96 | Y | 93.4 | Very high | 91.7 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.9 | 173.3 | -174.3 | -70.6 | 0 | 0 | 0 | 110 | C39 L66 V67 I68 Y119 V129 | C39-Y96 HydrophobicContact CB-CD1 3.94Å; C39-Y96 HydrophobicContact CB-CE1 3.65Å; C39-Y96 WeakPolarHBondContact SG-CD1 3.42Å; C39-Y96 WeakPolarHBondContact SG-CE1 3.47Å; L66-Y96 PolarHBondContact O-N 2.81Å; V67-Y96 WeakPolarHBondContact CA-O 3.46Å; I68-Y96 PolarHBondContact N-O 2.86Å; Y96-Y119 HydrophobicContact CD2-CD1 4.18Å; Y96-Y119 AromaticContact CD2-CD2 4Å; Y96-Y119 HydrophobicContact CD2-CD2 4Å; Y96-Y119 AromaticContact CD2-CE1 3.98Å; Y96-Y119 HydrophobicContact CD2-CE1 3.98Å; Y96-Y119 AromaticContact CD2-CE2 3.77Å; Y96-Y119 HydrophobicContact CD2-CE2 3.77Å; Y96-Y119 HydrophobicContact CD2-CG 4.19Å; Y96-Y119 AromaticContact CD2-CZ 3.76Å; Y96-Y119 HydrophobicContact CE2-CD1 4.37Å; Y96-Y119 AromaticContact CE2-CE1 3.73Å; Y96-Y119 HydrophobicContact CE2-CE1 3.73Å; Y96-Y119 AromaticContact CE2-CE2 3.96Å; Y96-Y119 HydrophobicContact CE2-CE2 3.96Å; Y96-Y119 AromaticContact CE2-CZ 3.49Å; Y96-Y119 VanDerWaalsContact CE2-CZ 3.49Å; Y96-V129 WeakPolarHBondContact CA-O 3.48Å; Y96-V129 HydrophobicContact CD2-CB 3.8Å; Y96-V129 HydrophobicContact CD2-CG1 3.66Å; Y96-V129 HydrophobicContact CE2-CB 4.34Å; Y96-V129 HydrophobicContact CE2-CG1 3.67Å; Y96-V129 HydrophobicContact CG-CB 4.4Å |
| 97 | I | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 101.4 | 176.4 | -56.7 | -179.2 | 0 | 0 | 0 | 108.5 | I68 V95 I105 L107 V129 I130 S131 N133 L135 L138 | I68-I97 HydrophobicContact CB-CG1 4.4Å; I68-I97 VanDerWaalsContact O-CA 3.29Å; I68-I97 WeakPolarHBondContact O-CA 3.47Å; V95-I97 HydrophobicContact CG1-CD1 4.18Å; V95-I97 HydrophobicContact CG1-CG1 4.06Å; I97-I105 HydrophobicContact CD1-CG2 4.49Å; I97-I105 HydrophobicContact CG2-CD1 3.73Å; I97-L107 HydrophobicContact CD1-CD1 4.4Å; I97-V129 PolarHBondContact N-O 2.78Å; I97-I130 HydrophobicContact CB-CG1 4.43Å; I97-I130 CarbonylContact O-C 3.6Å; I97-I130 VanDerWaalsContact O-CA 3.22Å; I97-I130 WeakPolarHBondContact O-CA 3.34Å; I97-S131 PolarHBondContact O-N 3.43Å; I97-N133 PolarHBondContact O-ND2 3.24Å; I97-L135 HydrophobicContact CG2-CD1 3.81Å; I97-L138 HydrophobicContact CD1-CD1 3.59Å; I97-L138 HydrophobicContact CD1-CD2 4.03Å; I97-L138 HydrophobicContact CD1-CG 4.46Å |
| 98 | G | 90.1 | Very high | 92 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 158.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | I68 C69 N100 S131 N133 | I68-G98 PolarHBondContact O-N 2.03Å; C69-G98 WeakPolarHBondContact CA-O 3.03Å; C69-G98 WeakPolarHBondContact CB-O 3.23Å; G98-N100 VanDerWaalsContact C-N 3.3Å; G98-N100 PolarHBondContact N-ND2 2.89Å; G98-N100 PolarHBondContact O-N 2.6Å; G98-N100 PolarHBondContact O-ND2 3.22Å; G98-N100 VanDerWaalsContact O-ND2 3.11Å; G98-S131 CarbonylContact C-O 3.56Å; G98-S131 WeakPolarHBondContact CA-O 3.03Å; G98-N133 VanDerWaalsContact CA-OD1 3.23Å; G98-N133 WeakPolarHBondContact CA-OD1 3.46Å |
| 99 | Q | 87.7 | Confident | 92 | Very high | 55 Ų | 55 | 18.9 Ų | 18.9 | 26% | 0.257 | 10% | 0.104 | S | C | . | . | S | Bend | trans | 57.6 | 41.2 | -179.9 | -49.7 | -177.1 | 90.4 | 0 | 0 | 112.7 | S40 G70 S131 R132 N133 | S40-Q99 PolarHBondContact OG-NE2 2.91Å; G70-Q99 VanDerWaalsContact CA-O 3.29Å; G70-Q99 WeakPolarHBondContact CA-O 3.49Å; G70-Q99 PolarHBondContact N-O 3.14Å; Q99-S131 PolarHBondContact N-O 2.96Å; Q99-S131 VanDerWaalsContact N-O 3.08Å; Q99-R132 VanDerWaalsContact CA-O 3.26Å; Q99-R132 WeakPolarHBondContact CA-O 3.5Å; Q99-R132 PolarHBondContact N-O 2.91Å; Q99-R132 VanDerWaalsContact N-O 3.09Å; Q99-N133 PolarHBondContact N-OD1 2.86Å |
| 100 | N | 90.3 | Very high | 92.1 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | trans | -111 | 134.8 | 176.2 | -55.5 | -75.8 | 0 | 0 | 0 | 111.4 | I68 C69 G70 L71 G98 V102 I105 N133 S134 | I68-N100 PolarHBondContact O-ND2 3.05Å; C69-N100 WeakPolarHBondContact CA-OD1 3.49Å; C69-N100 PolarHBondContact N-OD1 2.86Å; G70-N100 PolarHBondContact N-OD1 2.79Å; L71-N100 HydrophobicContact CB-CB 4.37Å; L71-N100 VanDerWaalsContact CB-OD1 3.3Å; L71-N100 WeakPolarHBondContact CB-OD1 3.28Å; L71-N100 PolarHBondContact N-OD1 3.28Å; L71-N100 CarbonylContact O-C 3.42Å; L71-N100 WeakPolarHBondContact O-CA 3.42Å; L71-N100 WeakPolarHBondContact O-CB 3.48Å; G98-N100 VanDerWaalsContact C-N 3.3Å; G98-N100 PolarHBondContact N-ND2 2.89Å; G98-N100 PolarHBondContact O-N 2.6Å; G98-N100 PolarHBondContact O-ND2 3.22Å; G98-N100 VanDerWaalsContact O-ND2 3.11Å; N100-V102 HydrophobicContact CB-CG2 4.24Å; N100-I105 HydrophobicContact CB-CD1 4.34Å; N100-N133 WeakPolarHBondContact CB-OD1 3.26Å; N100-N133 PolarHBondContact N-OD1 2.83Å; N100-N133 PolarHBondContact ND2-OD1 2.79Å; N100-N133 WeakPolarHBondContact O-CA 3.43Å; N100-S134 PolarHBondContact O-N 3.19Å | ||
| 101 | S | 88.5 | Confident | 92.2 | Very high | 32 Ų | 32 | 17.5 Ų | 17.5 | 22% | 0.224 | 10% | 0.096 | C | C | . | . | trans | -97.8 | -8.3 | 177.9 | 83.1 | 0 | 0 | 0 | 0 | 114.3 | L71 E72 K73 | L71-S101 PolarHBondContact O-N 3.22Å; E72-S101 WeakPolarHBondContact CA-OG 3Å; E72-S101 WeakPolarHBondContact CB-OG 3.01Å; K73-S101 WeakPolarHBondContact CE-O 2.98Å; K73-S101 PolarHBondContact N-OG 3.25Å; K73-S101 PolarHBondContact NZ-O 2.91Å | ||
| 102 | V | 90.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -60.9 | 148.2 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | L71 E72 D79 P80 N100 I105 L135 | L71-V102 HydrophobicContact CB-CG1 3.98Å; L71-V102 HydrophobicContact CB-CG2 4.4Å; E72-V102 WeakPolarHBondContact O-CG1 3.05Å; D79-V102 HydrophobicContact CB-CB 4.43Å; D79-V102 WeakPolarHBondContact OD1-CA 3.43Å; P80-V102 VanDerWaalsContact CD-CG1 3.43Å; P80-V102 HydrophobicContact CG-CG1 3.94Å; N100-V102 HydrophobicContact CB-CG2 4.24Å; V102-I105 HydrophobicContact CG2-CD1 4.1Å; V102-I105 HydrophobicContact CG2-CG1 3.81Å; V102-L135 HydrophobicContact CG2-CD2 3.91Å; V102-L135 WeakPolarHBondContact O-CA 3.08Å | ||
| 103 | K | 89.7 | Confident | 92.5 | Very high | 81 Ų | 81 | 17.2 Ų | 17.2 | 35% | 0.352 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -75.8 | -33.8 | 177.7 | 173.1 | -164.7 | 171.4 | 88.4 | 0 | 111.1 | D79 E136 I137 | D79-K103 VanDerWaalsContact CG-N 3.34Å; D79-K103 PolarHBondContact OD1-N 2.85Å; D79-K103 WeakPolarHBondContact OD2-CB 3.01Å; D79-K103 PolarHBondContact OD2-N 3.38Å; K103-E136 WeakPolarHBondContact CE-OE1 3.34Å; K103-E136 HydrophobicContact CG-CB 3.75Å; K103-E136 IonicContact NZ-OE1 2.69Å; K103-E136 PolarHBondContact NZ-OE1 2.79Å; K103-E136 IonicContact NZ-OE2 3.31Å; K103-E136 PolarHBondContact NZ-OE2 3.3Å; K103-E136 PolarHBondContact O-N 2.79Å; K103-I137 PolarHBondContact O-N 2.88Å; K103-I137 VanDerWaalsContact O-N 3.1Å |
| 104 | T | 89.9 | Confident | 92.8 | Very high | 42 Ų | 42 | 17.9 Ų | 17.9 | 26% | 0.258 | 10% | 0.096 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.7 | -174.4 | -37.2 | 0 | 0 | 0 | 0 | 112.3 | D79 I137 | D79-T104 PolarHBondContact OD2-N 3.45Å; D79-T104 PolarHBondContact OD2-OG1 2.96Å; T104-I137 WeakPolarHBondContact CA-O 2.99Å; T104-I137 HydrophobicContact CG2-CB 4.21Å; T104-I137 HydrophobicContact CG2-CG2 4.27Å |
| 105 | I | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.6 | 158.1 | -73.4 | 166.8 | 0 | 0 | 0 | 107.5 | I68 L71 L82 I97 N100 V102 L135 I137 L138 D139 | I68-I105 HydrophobicContact CD1-CG2 4.26Å; I68-I105 HydrophobicContact CG2-CD1 3.8Å; L71-I105 HydrophobicContact CD1-CD1 4.23Å; L71-I105 HydrophobicContact CD1-CG1 4.36Å; L82-I105 HydrophobicContact CD1-CG1 3.92Å; I97-I105 HydrophobicContact CD1-CG2 4.49Å; I97-I105 HydrophobicContact CG2-CD1 3.73Å; N100-I105 HydrophobicContact CB-CD1 4.34Å; V102-I105 HydrophobicContact CG2-CD1 4.1Å; V102-I105 HydrophobicContact CG2-CG1 3.81Å; I105-L135 HydrophobicContact CB-CD2 4.09Å; I105-L135 HydrophobicContact CD1-CD1 4.19Å; I105-L135 HydrophobicContact CD1-CD2 3.92Å; I105-L135 HydrophobicContact CG1-CD2 3.82Å; I105-I137 PolarHBondContact N-O 2.85Å; I105-L138 HydrophobicContact CB-CD1 4.07Å; I105-L138 HydrophobicContact CG2-CD1 3.96Å; I105-D139 PolarHBondContact O-N 3.3Å |
| 106 | S | 92.6 | Very high | 92.2 | Very high | 29 Ų | 29 | 22.5 Ų | 22.5 | 20% | 0.203 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.7 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 110 | P108 D139 | S106-P108 VanDerWaalsContact C-CD 3.48Å; S106-P108 WeakPolarHBondContact OG-CD 3.4Å; S106-D139 PolarHBondContact OG-OD2 3.08Å |
| 107 | L | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -128.6 | 62.9 | 174.4 | -75.9 | 156.4 | 0 | 0 | 0 | 107.4 | L66 I68 L85 I88 I97 S109 L110 D139 L140 | L66-L107 HydrophobicContact CD2-CD1 3.96Å; L66-L107 HydrophobicContact CD2-CD2 3.9Å; I68-L107 HydrophobicContact CD1-CD1 4.04Å; L85-L107 HydrophobicContact CB-CD2 3.88Å; L85-L107 HydrophobicContact CD1-CD2 4.39Å; I88-L107 HydrophobicContact CD1-CD2 3.87Å; I97-L107 HydrophobicContact CD1-CD1 4.4Å; L107-S109 PolarHBondContact O-N 2.94Å; L107-S109 VanDerWaalsContact O-N 3.08Å; L107-L110 HydrophobicContact CB-CB 4.07Å; L107-L110 HydrophobicContact CB-CD2 4.45Å; L107-L110 HydrophobicContact CD1-CD2 4.37Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-L110 VanDerWaalsContact O-N 3.15Å; L107-D139 PolarHBondContact N-O 3.22Å; L107-L140 HydrophobicContact CB-CD2 3.8Å; L107-L140 HydrophobicContact CD1-CD2 3.84Å; L107-L140 HydrophobicContact CG-CD2 4.4Å | ||
| 108 | P | 94.4 | Very high | 91.4 | Very high | 23 Ų | 23 | 27 Ų | 27 | 15% | 0.149 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.2 | -161.1 | 30.6 | -36.8 | 0 | 0 | 0 | 114 | E86 S106 R141 S142 | E86-P108 HydrophobicContact CB-CG 4.1Å; E86-P108 HydrophobicContact CG-CG 3.81Å; S106-P108 VanDerWaalsContact C-CD 3.48Å; S106-P108 WeakPolarHBondContact OG-CD 3.4Å; P108-R141 HydrophobicContact CB-CG 4.14Å; P108-S142 WeakPolarHBondContact O-CB 3.34Å; P108-S142 PolarHBondContact O-OG 3Å |
| 109 | S | 95.3 | Very high | 91.4 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 27% | 0.273 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -11 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 114 | E86 I88 L107 K111 | E86-S109 WeakPolarHBondContact O-CB 3.41Å; E86-S109 PolarHBondContact O-OG 3.4Å; I88-S109 CarbonylContact O-C 3.55Å; L107-S109 PolarHBondContact O-N 2.94Å; L107-S109 VanDerWaalsContact O-N 3.08Å; S109-K111 WeakPolarHBondContact O-CG 3.38Å; S109-K111 PolarHBondContact O-N 3.46Å |
| 110 | L | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -60.7 | 120.6 | -178.7 | -179.7 | 66.2 | 0 | 0 | 0 | 109.5 | I88 V91 V95 L107 V112 I113 S142 L143 | I88-L110 HydrophobicContact CG2-CD1 4.2Å; I88-L110 WeakPolarHBondContact O-CA 3.43Å; I88-L110 PolarHBondContact O-N 3.49Å; I88-L110 VanDerWaalsContact O-N 3.07Å; V91-L110 HydrophobicContact CG2-CD1 3.8Å; V95-L110 HydrophobicContact CG2-CD2 4.42Å; L107-L110 HydrophobicContact CB-CB 4.07Å; L107-L110 HydrophobicContact CB-CD2 4.45Å; L107-L110 HydrophobicContact CD1-CD2 4.37Å; L107-L110 PolarHBondContact O-N 2.89Å; L107-L110 VanDerWaalsContact O-N 3.15Å; L110-V112 WeakPolarHBondContact CD1-O 3.17Å; L110-I113 HydrophobicContact CD2-CD1 4.42Å; L110-I113 HydrophobicContact CD2-CG1 4.29Å; L110-S142 CarbonylContact O-C 3.47Å; L110-S142 WeakPolarHBondContact O-CB 3.42Å; L110-L143 WeakPolarHBondContact O-CA 3.16Å; L110-L143 PolarHBondContact O-N 3.49Å | ||
| 111 | K | 94.8 | Very high | 90.6 | Very high | 43 Ų | 43 | 33.9 Ų | 33.9 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | trans | -102 | -42.8 | -173.9 | -52 | 178.7 | -175.2 | 160.5 | 0 | 111.4 | E89 S109 T144 A145 R264 | E89-K111 HydrophobicContact CB-CD 4.25Å; E89-K111 HydrophobicContact CB-CG 4.34Å; E89-K111 WeakPolarHBondContact O-CB 3.36Å; E89-K111 PolarHBondContact O-N 2.8Å; E89-K111 WeakPolarHBondContact OE1-CE 3.45Å; E89-K111 IonicContact OE1-NZ 2.62Å; E89-K111 PolarHBondContact OE1-NZ 3.31Å; E89-K111 IonicContact OE2-NZ 2.77Å; E89-K111 PolarHBondContact OE2-NZ 2.87Å; S109-K111 WeakPolarHBondContact O-CG 3.38Å; S109-K111 PolarHBondContact O-N 3.46Å; K111-T144 PolarHBondContact O-N 2.65Å; K111-A145 PolarHBondContact O-N 2.97Å; K111-R264 HydrophobicContact CD-CG 4.08Å; K111-R264 VanDerWaalsContact CD-O 3.27Å; K111-R264 WeakPolarHBondContact CD-O 3.42Å | ||
| 112 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.3 | -169 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | E89 L110 R114 A145 L253 A265 | E89-V112 PolarHBondContact O-N 2.98Å; L110-V112 WeakPolarHBondContact CD1-O 3.17Å; V112-R114 HydrophobicContact CG1-CG 3.98Å; V112-A145 WeakPolarHBondContact CA-O 3.32Å; V112-A145 HydrophobicContact CG2-CB 4.21Å; V112-L253 HydrophobicContact CG1-CD2 3.67Å; V112-L253 HydrophobicContact CG1-CG 4.43Å; V112-L253 HydrophobicContact CG2-CD2 4.27Å; V112-L253 HydrophobicContact CG2-CG 4.26Å; V112-A265 HydrophobicContact CB-CB 4.46Å; V112-A265 HydrophobicContact CG2-CB 3.38Å |
| 113 | I | 96.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.6 | 160.8 | -51.2 | 166.4 | 0 | 0 | 0 | 107 | G93 V95 L110 A127 L128 L143 A145 I146 Q147 | G93-I113 WeakPolarHBondContact O-CG2 3.46Å; V95-I113 HydrophobicContact CB-CD1 3.93Å; V95-I113 HydrophobicContact CG2-CB 4.4Å; V95-I113 HydrophobicContact CG2-CD1 3.44Å; V95-I113 VanDerWaalsContact CG2-CD1 3.44Å; V95-I113 HydrophobicContact CG2-CG1 3.59Å; V95-I113 HydrophobicContact CG2-CG2 3.92Å; L110-I113 HydrophobicContact CD2-CD1 4.42Å; L110-I113 HydrophobicContact CD2-CG1 4.29Å; I113-A127 HydrophobicContact CG2-CB 4.14Å; I113-L128 HydrophobicContact CD1-CB 4.28Å; I113-L128 HydrophobicContact CD1-CD1 4.49Å; I113-L143 HydrophobicContact CD1-CD1 4.13Å; I113-L143 HydrophobicContact CD1-CD2 4.03Å; I113-L143 HydrophobicContact CG1-CD1 3.98Å; I113-A145 PolarHBondContact N-O 2.94Å; I113-A145 VanDerWaalsContact N-O 3.14Å; I113-I146 HydrophobicContact CB-CG1 4.27Å; I113-I146 HydrophobicContact CD1-CD1 4.29Å; I113-I146 HydrophobicContact CD1-CG1 4.19Å; I113-I146 CarbonylContact O-C 3.45Å; I113-I146 VanDerWaalsContact O-CA 3.32Å; I113-I146 WeakPolarHBondContact O-CA 3.42Å; I113-Q147 PolarHBondContact O-N 3.17Å |
| 114 | R | 94.3 | Very high | 88.4 | Confident | 14 Ų | 14 | 42 Ų | 42 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | trans | -81.2 | -33.8 | -175.8 | -52.3 | -178.1 | 171.3 | -82.7 | 8.5 | 112.4 | D90 V91 S92 V112 Q147 R148 C266 K267 D304 | D90-R114 IonicContact OD1-NE 2.62Å; D90-R114 PolarHBondContact OD1-NE 2.85Å; D90-R114 IonicContact OD2-CZ 2.63Å; D90-R114 IonicContact OD2-NE 3.94Å; D90-R114 IonicContact OD2-NH2 3.51Å; V91-R114 PolarHBondContact O-N 3.47Å; S92-R114 WeakPolarHBondContact O-CB 3.46Å; V112-R114 HydrophobicContact CG1-CG 3.98Å; R114-Q147 HydrophobicContact CB-CB 4.47Å; R114-R148 PolarHBondContact O-N 3.42Å; R114-C266 PolarHBondContact NH1-O 3.47Å; R114-C266 VanDerWaalsContact NH1-O 3.07Å; R114-C266 PolarHBondContact NH2-O 3.47Å; R114-K267 PolarHBondContact NH1-O 2.97Å; R114-D304 IonicContact CZ-OD2 2.64Å; R114-D304 IonicContact NE-OD2 3.57Å; R114-D304 PolarHBondContact NE-OD2 3.46Å; R114-D304 IonicContact NH2-OD2 3.69Å; R114-D304 PolarHBondContact NH2-OD2 3.07Å | ||
| 115 | G | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | 74.2 | 29.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | S92 G93 P117 G118 N149 | S92-G115 PolarHBondContact O-N 3.2Å; G93-G115 VanDerWaalsContact O-CA 3.25Å; G93-G115 WeakPolarHBondContact O-CA 3.46Å; G93-G115 PolarHBondContact O-N 3.3Å; G115-P117 VanDerWaalsContact C-C 3.45Å; G115-P117 CarbonylContact C-O 3.58Å; G115-P117 CarbonylContact O-C 3.54Å; G115-G118 PolarHBondContact O-N 3.16Å; G115-G118 VanDerWaalsContact O-N 3.12Å; G115-N149 PolarHBondContact O-ND2 2.59Å | ||
| 116 | E | 85.9 | Confident | 88.2 | Confident | 104 Ų | 104 | 41.7 Ų | 41.7 | 49% | 0.486 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -124.3 | 93.7 | 178.4 | -175.7 | 153.1 | -135.7 | 0 | 0 | 110.3 | S92 R148 | S92-E116 PolarHBondContact O-N 3.45Å; E116-R148 IonicContact OE1-CZ 3.49Å; E116-R148 IonicContact OE1-NH1 2.64Å; E116-R148 PolarHBondContact OE1-NH1 3.34Å; E116-R148 IonicContact OE1-NH2 2.66Å; E116-R148 IonicContact OE2-CZ 3.28Å; E116-R148 IonicContact OE2-NE 2.89Å; E116-R148 IonicContact OE2-NH1 2.74Å; E116-R148 PolarHBondContact OE2-NH1 3.17Å; E116-R148 VanDerWaalsContact OE2-NH1 3.1Å; E116-R148 IonicContact OE2-NH2 3.48Å; E116-R148 PolarHBondContact OE2-NH2 3.02Å |
| 117 | P | 84.9 | Confident | 88.3 | Confident | 86 Ų | 86 | 40.3 Ų | 40.3 | 56% | 0.558 | 21% | 0.211 | S | C | * | . | S | Bend | cis | -81 | 158.8 | 5.6 | 34.1 | -36.8 | 0 | 0 | 0 | 114.4 | G93 Y94 G115 | G93-P117 CarbonylContact C-O 3.57Å; Y94-P117 PolarHBondContact N-O 3.42Å; G115-P117 VanDerWaalsContact C-C 3.45Å; G115-P117 CarbonylContact C-O 3.58Å; G115-P117 CarbonylContact O-C 3.54Å |
| 118 | G | 85.5 | Confident | 88.3 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 150.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G115 | G115-G118 PolarHBondContact O-N 3.16Å; G115-G118 VanDerWaalsContact O-N 3.12Å |
| 119 | Y | 89 | Confident | 88.2 | Confident | 32 Ų | 32 | 39.2 Ų | 39.2 | 13% | 0.125 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 124.6 | 175.8 | -174 | -92.1 | 0 | 0 | 0 | 110.8 | Y94 Y96 I121 S125 A126 V129 | Y94-Y119 HydrophobicContact CD1-CD2 4.44Å; Y94-Y119 HydrophobicContact CD2-CD2 4.15Å; Y94-Y119 HydrophobicContact CD2-CG 4.41Å; Y94-Y119 AromaticContact CE1-CD2 3.97Å; Y94-Y119 HydrophobicContact CE1-CD2 3.97Å; Y94-Y119 AromaticContact CE2-CD2 3.68Å; Y94-Y119 HydrophobicContact CE2-CD2 3.68Å; Y94-Y119 HydrophobicContact CE2-CG 4.38Å; Y94-Y119 AromaticContact CZ-CD2 3.6Å; Y96-Y119 HydrophobicContact CD2-CD1 4.18Å; Y96-Y119 AromaticContact CD2-CD2 4Å; Y96-Y119 HydrophobicContact CD2-CD2 4Å; Y96-Y119 AromaticContact CD2-CE1 3.98Å; Y96-Y119 HydrophobicContact CD2-CE1 3.98Å; Y96-Y119 AromaticContact CD2-CE2 3.77Å; Y96-Y119 HydrophobicContact CD2-CE2 3.77Å; Y96-Y119 HydrophobicContact CD2-CG 4.19Å; Y96-Y119 AromaticContact CD2-CZ 3.76Å; Y96-Y119 HydrophobicContact CE2-CD1 4.37Å; Y96-Y119 AromaticContact CE2-CE1 3.73Å; Y96-Y119 HydrophobicContact CE2-CE1 3.73Å; Y96-Y119 AromaticContact CE2-CE2 3.96Å; Y96-Y119 HydrophobicContact CE2-CE2 3.96Å; Y96-Y119 AromaticContact CE2-CZ 3.49Å; Y96-Y119 VanDerWaalsContact CE2-CZ 3.49Å; Y119-I121 HydrophobicContact CD1-CB 3.84Å; Y119-I121 HydrophobicContact CD1-CG2 4.21Å; Y119-I121 HydrophobicContact CE1-CB 3.93Å; Y119-I121 HydrophobicContact CE1-CD1 4.37Å; Y119-I121 PolarHBondContact O-N 3.46Å; Y119-S125 CarbonylContact O-C 3.59Å; Y119-S125 WeakPolarHBondContact O-CA 3.16Å; Y119-A126 PolarHBondContact N-O 2.85Å; Y119-A126 PolarHBondContact O-N 2.78Å; Y119-V129 HydrophobicContact CD1-CG1 4.43Å; Y119-V129 HydrophobicContact CD1-CG2 3.83Å; Y119-V129 HydrophobicContact CG-CG2 4.19Å |
| 120 | R | 86 | Confident | 88.1 | Confident | 149 Ų | 149 | 37.3 Ų | 37.3 | 56% | 0.562 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 115.9 | 176.3 | -67.7 | -176.6 | 179.2 | -129.4 | -2.1 | 110.9 | ||
| 121 | I | 76.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 124.8 | 178.3 | -174.5 | 161.2 | 0 | 0 | 0 | 110.3 | Y119 T124 A126 V129 V152 L154 | Y119-I121 HydrophobicContact CD1-CB 3.84Å; Y119-I121 HydrophobicContact CD1-CG2 4.21Å; Y119-I121 HydrophobicContact CE1-CB 3.93Å; Y119-I121 HydrophobicContact CE1-CD1 4.37Å; Y119-I121 PolarHBondContact O-N 3.46Å; I121-T124 PolarHBondContact N-O 3.38Å; I121-T124 PolarHBondContact O-N 2.97Å; I121-T124 VanDerWaalsContact O-O 3.14Å; I121-A126 HydrophobicContact CG2-CB 3.93Å; I121-V129 HydrophobicContact CD1-CG1 3.72Å; I121-V129 HydrophobicContact CG2-CG2 4.15Å; I121-V152 HydrophobicContact CD1-CG1 3.97Å; I121-V152 HydrophobicContact CG1-CG1 4.34Å; I121-V152 HydrophobicContact CG2-CB 4.06Å; I121-V152 HydrophobicContact CG2-CG1 4.02Å; I121-V152 HydrophobicContact CG2-CG2 3.85Å; I121-L154 HydrophobicContact CD1-CD1 4Å; I121-L154 HydrophobicContact CG1-CD1 4.46Å |
| 122 | M | 69.7 | Low | 87.3 | Confident | 80 Ų | 80 | 41 Ų | 41 | 39% | 0.394 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -141.5 | -168.4 | -51.5 | 167.8 | 71.4 | 0 | 0 | 108.9 | T124 L154 | M122-T124 VanDerWaalsContact C-N 3.27Å; M122-T124 PolarHBondContact O-N 3.36Å; M122-L154 HydrophobicContact SD-CD1 3.87Å |
| 123 | N | 72 | Confident | 87 | Confident | 166 Ų | 166 | 41.2 Ų | 41.2 | 89% | 0.888 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 20.8 | -179.4 | -58.6 | 28.6 | 0 | 0 | 0 | 113 | ||
| 124 | T | 80.2 | Confident | 86.5 | Confident | 38 Ų | 38 | 43.8 Ų | 43.8 | 23% | 0.233 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 171.2 | 176.2 | -162 | 0 | 0 | 0 | 0 | 112.8 | I121 M122 D150 V152 I181 | I121-T124 PolarHBondContact N-O 3.38Å; I121-T124 PolarHBondContact O-N 2.97Å; I121-T124 VanDerWaalsContact O-O 3.14Å; M122-T124 VanDerWaalsContact C-N 3.27Å; M122-T124 PolarHBondContact O-N 3.36Å; T124-D150 HydrophobicContact CG2-CB 4.39Å; T124-D150 PolarHBondContact OG1-OD2 2.98Å; T124-V152 HydrophobicContact CG2-CG2 4.05Å; T124-I181 HydrophobicContact CG2-CD1 3.83Å |
| 125 | S | 88.4 | Confident | 86.1 | Confident | 35 Ų | 35 | 43.1 Ų | 43.1 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.1 | 167.3 | -62.9 | 0 | 0 | 0 | 0 | 109.3 | Y119 N149 D150 | Y119-S125 CarbonylContact O-C 3.59Å; Y119-S125 WeakPolarHBondContact O-CA 3.16Å; S125-N149 VanDerWaalsContact CB-OD1 3.23Å; S125-N149 WeakPolarHBondContact CB-OD1 3.27Å; S125-N149 WeakPolarHBondContact O-CB 3.49Å; S125-N149 PolarHBondContact O-OD1 2.83Å; S125-D150 PolarHBondContact O-N 3.44Å |
| 126 | A | 90.6 | Very high | 86 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 138.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y119 I121 V129 D150 V152 | Y119-A126 PolarHBondContact N-O 2.85Å; Y119-A126 PolarHBondContact O-N 2.78Å; I121-A126 HydrophobicContact CG2-CB 3.93Å; A126-V129 HydrophobicContact CB-CG2 3.55Å; A126-D150 CarbonylContact C-O 3.57Å; A126-D150 WeakPolarHBondContact CA-O 3.24Å; A126-D150 HydrophobicContact CB-CB 4.4Å; A126-D150 WeakPolarHBondContact CB-O 3.22Å; A126-V152 HydrophobicContact CB-CB 4.23Å; A126-V152 HydrophobicContact CB-CG2 3.68Å |
| 127 | A | 94.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -25.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y94 V95 I113 I146 R148 N149 D150 | Y94-A127 CarbonylContact C-O 3.59Å; Y94-A127 WeakPolarHBondContact CA-O 3.45Å; V95-A127 PolarHBondContact N-O 2.86Å; I113-A127 HydrophobicContact CG2-CB 4.14Å; A127-I146 HydrophobicContact CB-CG2 3.58Å; A127-R148 WeakPolarHBondContact CB-O 3.09Å; A127-N149 HydrophobicContact CB-CB 4.1Å; A127-D150 PolarHBondContact N-O 2.9Å |
| 128 | L | 95.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 115.9 | 170.8 | 176.4 | 61.6 | 0 | 0 | 0 | 109.7 | V95 I113 I130 L140 I146 I151 V152 | V95-L128 HydrophobicContact CB-CD1 3.89Å; V95-L128 HydrophobicContact CG1-CD1 3.77Å; V95-L128 WeakPolarHBondContact O-CA 3.37Å; I113-L128 HydrophobicContact CD1-CB 4.28Å; I113-L128 HydrophobicContact CD1-CD1 4.49Å; L128-I130 HydrophobicContact CD1-CD1 4.2Å; L128-I130 HydrophobicContact CD1-CG1 4.11Å; L128-I130 HydrophobicContact CD2-CD1 4.13Å; L128-I130 HydrophobicContact CG-CD1 4.03Å; L128-I130 HydrophobicContact CG-CG1 4.27Å; L128-L140 HydrophobicContact CD2-CD1 4.01Å; L128-I146 HydrophobicContact CB-CD1 4.32Å; L128-I151 HydrophobicContact CB-CG1 4.22Å; L128-I151 HydrophobicContact CB-CG2 4.12Å; L128-I151 HydrophobicContact CD2-CG2 4.09Å; L128-I151 HydrophobicContact CG-CG2 4.16Å; L128-I151 WeakPolarHBondContact O-CA 3.46Å; L128-V152 PolarHBondContact O-N 2.78Å |
| 129 | V | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.5 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | V95 Y96 I97 Y119 I121 A126 V152 | V95-V129 PolarHBondContact O-N 2.03Å; Y96-V129 WeakPolarHBondContact CA-O 3.48Å; Y96-V129 HydrophobicContact CD2-CB 3.8Å; Y96-V129 HydrophobicContact CD2-CG1 3.66Å; Y96-V129 HydrophobicContact CE2-CB 4.34Å; Y96-V129 HydrophobicContact CE2-CG1 3.67Å; Y96-V129 HydrophobicContact CG-CB 4.4Å; I97-V129 PolarHBondContact N-O 2.78Å; Y119-V129 HydrophobicContact CD1-CG1 4.43Å; Y119-V129 HydrophobicContact CD1-CG2 3.83Å; Y119-V129 HydrophobicContact CG-CG2 4.19Å; I121-V129 HydrophobicContact CD1-CG1 3.72Å; I121-V129 HydrophobicContact CG2-CG2 4.15Å; A126-V129 HydrophobicContact CB-CG2 3.55Å; V129-V152 WeakPolarHBondContact CA-O 3.4Å |
| 130 | I | 91.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 104.2 | 179.7 | -57.9 | 155.1 | 0 | 0 | 0 | 108.2 | I97 L128 L138 V152 A153 L154 N156 L159 F162 | I97-I130 HydrophobicContact CB-CG1 4.43Å; I97-I130 CarbonylContact O-C 3.6Å; I97-I130 VanDerWaalsContact O-CA 3.22Å; I97-I130 WeakPolarHBondContact O-CA 3.34Å; L128-I130 HydrophobicContact CD1-CD1 4.2Å; L128-I130 HydrophobicContact CD1-CG1 4.11Å; L128-I130 HydrophobicContact CD2-CD1 4.13Å; L128-I130 HydrophobicContact CG-CD1 4.03Å; L128-I130 HydrophobicContact CG-CG1 4.27Å; I130-L138 HydrophobicContact CD1-CD2 3.43Å; I130-L138 VanDerWaalsContact CD1-CD2 3.43Å; I130-L138 HydrophobicContact CG1-CD2 3.89Å; I130-L138 HydrophobicContact CG2-CD2 4.49Å; I130-V152 PolarHBondContact N-O 3.42Å; I130-A153 WeakPolarHBondContact O-CA 3.41Å; I130-L154 PolarHBondContact O-N 3.02Å; I130-N156 PolarHBondContact O-ND2 3.49Å; I130-L159 HydrophobicContact CG2-CD2 4.26Å; I130-F162 HydrophobicContact CD1-CE1 3.79Å; I130-F162 HydrophobicContact CD1-CE2 3.52Å; I130-F162 HydrophobicContact CD1-CZ 3.09Å |
| 131 | S | 88.9 | Confident | 87.4 | Confident | 11 Ų | 11 | 30.8 Ų | 30.8 | 8% | 0.077 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 123.8 | -164.5 | -167.6 | 0 | 0 | 0 | 0 | 113.8 | I97 G98 Q99 N133 L154 | I97-S131 PolarHBondContact O-N 3.43Å; G98-S131 CarbonylContact C-O 3.56Å; G98-S131 WeakPolarHBondContact CA-O 3.03Å; Q99-S131 PolarHBondContact N-O 2.96Å; Q99-S131 VanDerWaalsContact N-O 3.08Å; S131-N133 PolarHBondContact N-ND2 2.81Å; S131-N133 PolarHBondContact O-ND2 2.02Å; S131-L154 WeakPolarHBondContact CA-O 3.48Å |
| 132 | R | 86.6 | Confident | 88.3 | Confident | 108 Ų | 108 | 30.3 Ų | 30.3 | 41% | 0.408 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 57.7 | 55.1 | 175.6 | -51.8 | 176.8 | -179 | 173.7 | 1.4 | 113.5 | Q99 L154 N155 N156 M1286 | Q99-R132 VanDerWaalsContact CA-O 3.26Å; Q99-R132 WeakPolarHBondContact CA-O 3.5Å; Q99-R132 PolarHBondContact N-O 2.91Å; Q99-R132 VanDerWaalsContact N-O 3.09Å; R132-L154 PolarHBondContact N-O 2.71Å; R132-N155 WeakPolarHBondContact CA-O 3.25Å; R132-N155 HydrophobicContact CG-CB 4.18Å; R132-N156 PolarHBondContact N-OD1 3.08Å; R132-M1286 PolarHBondContact NH1-SD 3.3Å |
| 133 | N | 87.5 | Confident | 89.6 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | trans | -113.4 | 151.4 | 176.7 | -56.3 | -84.3 | 0 | 0 | 0 | 113 | I97 G98 Q99 N100 S131 L135 N156 | I97-N133 PolarHBondContact O-ND2 3.24Å; G98-N133 VanDerWaalsContact CA-OD1 3.23Å; G98-N133 WeakPolarHBondContact CA-OD1 3.46Å; Q99-N133 PolarHBondContact N-OD1 2.86Å; N100-N133 WeakPolarHBondContact CB-OD1 3.26Å; N100-N133 PolarHBondContact N-OD1 2.83Å; N100-N133 PolarHBondContact ND2-OD1 2.79Å; N100-N133 WeakPolarHBondContact O-CA 3.43Å; S131-N133 PolarHBondContact N-ND2 2.81Å; S131-N133 PolarHBondContact O-ND2 2.02Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 HydrophobicContact CB-CB 4.09Å; N133-L135 HydrophobicContact CB-CD1 3.7Å; N133-L135 HydrophobicContact CB-CG 3.82Å; N133-N156 WeakPolarHBondContact CB-OD1 3.46Å; N133-N156 PolarHBondContact N-OD1 3.35Å; N133-N156 PolarHBondContact ND2-OD1 3.35Å | ||
| 134 | S | 86.5 | Confident | 90.6 | Very high | 54 Ų | 54 | 18.8 Ų | 18.8 | 38% | 0.378 | 10% | 0.097 | S | C | . | . | trans | -94.7 | 20.5 | 165.5 | -53.1 | 0 | 0 | 0 | 0 | 113.2 | N100 | N100-S134 PolarHBondContact O-N 3.19Š| ||
| 135 | L | 86.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -60.1 | 139.9 | 174.6 | -73.4 | 163.6 | 0 | 0 | 0 | 111 | I97 V102 I105 N133 F158 L159 | I97-L135 HydrophobicContact CG2-CD1 3.81Å; V102-L135 HydrophobicContact CG2-CD2 3.91Å; V102-L135 WeakPolarHBondContact O-CA 3.08Å; I105-L135 HydrophobicContact CB-CD2 4.09Å; I105-L135 HydrophobicContact CD1-CD1 4.19Å; I105-L135 HydrophobicContact CD1-CD2 3.92Å; I105-L135 HydrophobicContact CG1-CD2 3.82Å; N133-L135 VanDerWaalsContact C-N 3.3Å; N133-L135 HydrophobicContact CB-CB 4.09Å; N133-L135 HydrophobicContact CB-CD1 3.7Å; N133-L135 HydrophobicContact CB-CG 3.82Å; L135-F158 CarbonylContact O-C 3.59Å; L135-L159 HydrophobicContact CB-CD1 4.12Å; L135-L159 WeakPolarHBondContact O-CA 3.42Å; L135-L159 PolarHBondContact O-N 2.89Å; L135-L159 VanDerWaalsContact O-N 3.09Å | ||
| 136 | E | 86.5 | Confident | 91.7 | Very high | 52 Ų | 52 | 15.3 Ų | 15.3 | 24% | 0.243 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -101.1 | -38.4 | 168.8 | -169.7 | -177 | 115.8 | 0 | 0 | 110.7 | K103 F158 C160 | K103-E136 WeakPolarHBondContact CE-OE1 3.34Å; K103-E136 HydrophobicContact CG-CB 3.75Å; K103-E136 IonicContact NZ-OE1 2.69Å; K103-E136 PolarHBondContact NZ-OE1 2.79Å; K103-E136 IonicContact NZ-OE2 3.31Å; K103-E136 PolarHBondContact NZ-OE2 3.3Å; K103-E136 PolarHBondContact O-N 2.79Å; E136-F158 WeakPolarHBondContact CA-O 3.33Å; E136-C160 WeakPolarHBondContact O-CB 3.09Å; E136-C160 PolarHBondContact O-N 3.48Å |
| 137 | I | 88.3 | Confident | 91.8 | Very high | 20 Ų | 20 | 16.6 Ų | 16.6 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 131.2 | -179.6 | -62.5 | 174.2 | 0 | 0 | 0 | 109.8 | K103 T104 I105 D139 P219 M223 | K103-I137 PolarHBondContact O-N 2.88Å; K103-I137 VanDerWaalsContact O-N 3.1Å; T104-I137 WeakPolarHBondContact CA-O 2.99Å; T104-I137 HydrophobicContact CG2-CB 4.21Å; T104-I137 HydrophobicContact CG2-CG2 4.27Å; I105-I137 PolarHBondContact N-O 2.85Å; I137-D139 HydrophobicContact CG2-CB 4.36Å; I137-P219 HydrophobicContact CD1-CG 4.46Å; I137-M223 HydrophobicContact CG2-CE 4.26Å |
| 138 | L | 92.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 99.6 | 169.5 | 175.8 | 56.2 | 0 | 0 | 0 | 109.4 | I97 I105 I130 L140 L159 F162 | I97-L138 HydrophobicContact CD1-CD1 3.59Å; I97-L138 HydrophobicContact CD1-CD2 4.03Å; I97-L138 HydrophobicContact CD1-CG 4.46Å; I105-L138 HydrophobicContact CB-CD1 4.07Å; I105-L138 HydrophobicContact CG2-CD1 3.96Å; I130-L138 HydrophobicContact CD1-CD2 3.43Å; I130-L138 VanDerWaalsContact CD1-CD2 3.43Å; I130-L138 HydrophobicContact CG1-CD2 3.89Å; I130-L138 HydrophobicContact CG2-CD2 4.49Å; L138-L140 HydrophobicContact CD1-CD2 3.93Å; L138-L140 HydrophobicContact CD1-CG 4.27Å; L138-L140 HydrophobicContact CD2-CD1 4.39Å; L138-L140 HydrophobicContact CG-CD1 4.36Å; L138-L140 HydrophobicContact CG-CD2 4.28Å; L138-L140 HydrophobicContact CG-CG 4.05Å; L138-L140 PolarHBondContact O-N 2.81Å; L138-L159 HydrophobicContact CB-CD1 4.14Å; L138-F162 HydrophobicContact CD2-CD2 4.45Å; L138-F162 HydrophobicContact CD2-CE2 3.99Å |
| 139 | D | 93 | Very high | 91.6 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 91.8 | -170.9 | 170.7 | 23.7 | 0 | 0 | 0 | 111.6 | I105 S106 L107 I137 R141 M223 | I105-D139 PolarHBondContact O-N 3.3Å; S106-D139 PolarHBondContact OG-OD2 3.08Å; L107-D139 PolarHBondContact N-O 3.22Å; I137-D139 HydrophobicContact CG2-CB 4.36Å; D139-R141 WeakPolarHBondContact OD1-CB 3.49Å; D139-R141 WeakPolarHBondContact OD1-CG 3.36Å; D139-R141 IonicContact OD1-CZ 3.53Å; D139-R141 PolarHBondContact OD1-N 3.45Å; D139-R141 IonicContact OD1-NE 2.76Å; D139-R141 PolarHBondContact OD1-NE 2.82Å; D139-R141 IonicContact OD1-NH2 3.09Å; D139-R141 IonicContact OD2-CZ 3.86Å; D139-R141 VanDerWaalsContact OD2-CZ 3.31Å; D139-R141 IonicContact OD2-NE 2.68Å; D139-R141 PolarHBondContact OD2-NE 2.92Å; D139-R141 VanDerWaalsContact OD2-NE 3.16Å; D139-R141 IonicContact OD2-NH2 2.71Å; D139-R141 PolarHBondContact OD2-NH2 2.94Å; D139-M223 HydrophobicContact CB-CE 4.13Å |
| 140 | L | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -107.5 | 37.4 | 171.7 | -46.2 | -178.7 | 0 | 0 | 0 | 111 | L107 L128 L138 S142 L143 W217 | L107-L140 HydrophobicContact CB-CD2 3.8Å; L107-L140 HydrophobicContact CD1-CD2 3.84Å; L107-L140 HydrophobicContact CG-CD2 4.4Å; L128-L140 HydrophobicContact CD2-CD1 4.01Å; L138-L140 HydrophobicContact CD1-CD2 3.93Å; L138-L140 HydrophobicContact CD1-CG 4.27Å; L138-L140 HydrophobicContact CD2-CD1 4.39Å; L138-L140 HydrophobicContact CG-CD1 4.36Å; L138-L140 HydrophobicContact CG-CD2 4.28Å; L138-L140 HydrophobicContact CG-CG 4.05Å; L138-L140 PolarHBondContact O-N 2.81Å; L140-S142 PolarHBondContact O-N 3.02Å; L140-L143 HydrophobicContact CB-CB 4Å; L140-L143 HydrophobicContact CB-CD2 4.28Å; L140-L143 HydrophobicContact CD1-CD2 3.81Å; L140-L143 WeakPolarHBondContact O-CB 3.42Å; L140-L143 PolarHBondContact O-N 3.24Å; L140-W217 HydrophobicContact CB-CD2 4.1Å; L140-W217 HydrophobicContact CB-CE3 3.79Å; L140-W217 HydrophobicContact CB-CH2 3.82Å; L140-W217 HydrophobicContact CB-CZ2 4.09Å; L140-W217 HydrophobicContact CB-CZ3 3.65Å; L140-W217 HydrophobicContact CD1-CH2 4.14Å; L140-W217 HydrophobicContact CD1-CZ3 3.77Å; L140-W217 HydrophobicContact CG-CE3 4.17Å; L140-W217 HydrophobicContact CG-CH2 4.42Å; L140-W217 HydrophobicContact CG-CZ3 3.91Å | ||
| 141 | R | 93.4 | Very high | 91.6 | Very high | 52 Ų | 52 | 25.2 Ų | 25.2 | 20% | 0.196 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -19.8 | -175.2 | 67.1 | 179.9 | 73.8 | 179.9 | 9.6 | 116.8 | P108 D139 E222 K226 | P108-R141 HydrophobicContact CB-CG 4.14Å; D139-R141 WeakPolarHBondContact OD1-CB 3.49Å; D139-R141 WeakPolarHBondContact OD1-CG 3.36Å; D139-R141 IonicContact OD1-CZ 3.53Å; D139-R141 PolarHBondContact OD1-N 3.45Å; D139-R141 IonicContact OD1-NE 2.76Å; D139-R141 PolarHBondContact OD1-NE 2.82Å; D139-R141 IonicContact OD1-NH2 3.09Å; D139-R141 IonicContact OD2-CZ 3.86Å; D139-R141 VanDerWaalsContact OD2-CZ 3.31Å; D139-R141 IonicContact OD2-NE 2.68Å; D139-R141 PolarHBondContact OD2-NE 2.92Å; D139-R141 VanDerWaalsContact OD2-NE 3.16Å; D139-R141 IonicContact OD2-NH2 2.71Å; D139-R141 PolarHBondContact OD2-NH2 2.94Å; R141-E222 WeakPolarHBondContact CD-O 2.86Å; R141-E222 PolarHBondContact NE-O 3.16Å; R141-E222 PolarHBondContact NH1-O 2.92Å; R141-K226 WeakPolarHBondContact O-CD 3.46Å; R141-K226 VanDerWaalsContact O-CE 3.31Å; R141-K226 WeakPolarHBondContact O-CE 2.81Å |
| 142 | S | 95 | Very high | 91.7 | Very high | 11 Ų | 11 | 24.7 Ų | 24.7 | 8% | 0.077 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -10.6 | 179.3 | -83.5 | 0 | 0 | 0 | 0 | 114.9 | P108 L110 L140 T144 K226 R264 | P108-S142 WeakPolarHBondContact O-CB 3.34Å; P108-S142 PolarHBondContact O-OG 3Å; L110-S142 CarbonylContact O-C 3.47Å; L110-S142 WeakPolarHBondContact O-CB 3.42Å; L140-S142 PolarHBondContact O-N 3.02Å; S142-T144 PolarHBondContact O-N 3.28Å; S142-K226 PolarHBondContact OG-NZ 3.21Å; S142-R264 VanDerWaalsContact CB-NH2 3.26Å; S142-R264 VanDerWaalsContact O-CZ 3.23Å; S142-R264 PolarHBondContact O-NH1 3.3Å; S142-R264 PolarHBondContact O-NH2 3.29Å; S142-R264 PolarHBondContact OG-NH2 2.97Å |
| 143 | L | 96.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | trans | -71.4 | 117.6 | -175.4 | 179.9 | 60.8 | 0 | 0 | 0 | 110.2 | L110 I113 L140 A145 I146 I171 W217 | L110-L143 WeakPolarHBondContact O-CA 3.16Å; L110-L143 PolarHBondContact O-N 3.49Å; I113-L143 HydrophobicContact CD1-CD1 4.13Å; I113-L143 HydrophobicContact CD1-CD2 4.03Å; I113-L143 HydrophobicContact CG1-CD1 3.98Å; L140-L143 HydrophobicContact CB-CB 4Å; L140-L143 HydrophobicContact CB-CD2 4.28Å; L140-L143 HydrophobicContact CD1-CD2 3.81Å; L140-L143 WeakPolarHBondContact O-CB 3.42Å; L140-L143 PolarHBondContact O-N 3.24Å; L143-A145 WeakPolarHBondContact CD1-O 3.32Å; L143-I146 HydrophobicContact CD1-CG1 4.26Å; L143-I146 HydrophobicContact CD2-CD1 4.22Å; L143-I146 HydrophobicContact CD2-CG1 4.42Å; L143-I171 HydrophobicContact CG-CG2 4.2Å; L143-W217 HydrophobicContact CB-CZ2 4.33Å; L143-W217 HydrophobicContact CD2-CH2 4.19Å | ||
| 144 | T | 94.3 | Very high | 91.6 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.012 | 10% | 0.098 | C | C | . | . | trans | -135.7 | 6.3 | -179.3 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | K111 S142 K226 L228 Y237 G254 R264 | K111-T144 PolarHBondContact O-N 2.65Å; S142-T144 PolarHBondContact O-N 3.28Å; T144-K226 HydrophobicContact CG2-CB 3.68Å; T144-K226 HydrophobicContact CG2-CD 4.44Å; T144-L228 HydrophobicContact CG2-CD1 3.85Å; T144-L228 HydrophobicContact CG2-CG 4.3Å; T144-Y237 PolarHBondContact O-OH 2.79Å; T144-G254 WeakPolarHBondContact O-CA 3.37Å; T144-G254 PolarHBondContact OG1-O 3.49Å; T144-R264 VanDerWaalsContact CG2-NH1 3.3Å; T144-R264 PolarHBondContact OG1-NH1 2.84Å | ||
| 145 | A | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 138.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K111 V112 I113 L143 I171 L253 | K111-A145 PolarHBondContact O-N 2.97Å; V112-A145 WeakPolarHBondContact CA-O 3.32Å; V112-A145 HydrophobicContact CG2-CB 4.21Å; I113-A145 PolarHBondContact N-O 2.94Å; I113-A145 VanDerWaalsContact N-O 3.14Å; L143-A145 WeakPolarHBondContact CD1-O 3.32Å; A145-I171 CarbonylContact C-O 3.2Å; A145-I171 VanDerWaalsContact CA-O 3.23Å; A145-I171 WeakPolarHBondContact CA-O 3.47Å; A145-L253 HydrophobicContact CB-CD1 3.61Å; A145-L253 HydrophobicContact CB-CD2 4.39Å; A145-L253 HydrophobicContact CB-CG 3.63Å |
| 146 | I | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 111.9 | 160.6 | -65.1 | 173.4 | 0 | 0 | 0 | 106.8 | I113 A127 L128 L143 I151 I171 E173 Q178 | I113-I146 HydrophobicContact CB-CG1 4.27Å; I113-I146 HydrophobicContact CD1-CD1 4.29Å; I113-I146 HydrophobicContact CD1-CG1 4.19Å; I113-I146 CarbonylContact O-C 3.45Å; I113-I146 VanDerWaalsContact O-CA 3.32Å; I113-I146 WeakPolarHBondContact O-CA 3.42Å; A127-I146 HydrophobicContact CB-CG2 3.58Å; L128-I146 HydrophobicContact CB-CD1 4.32Å; L143-I146 HydrophobicContact CD1-CG1 4.26Å; L143-I146 HydrophobicContact CD2-CD1 4.22Å; L143-I146 HydrophobicContact CD2-CG1 4.42Å; I146-I151 HydrophobicContact CD1-CD1 3.6Å; I146-I151 HydrophobicContact CD1-CG1 3.85Å; I146-I171 HydrophobicContact CB-CG2 4.31Å; I146-I171 HydrophobicContact CD1-CG2 3.81Å; I146-I171 HydrophobicContact CG1-CG2 3.71Å; I146-I171 PolarHBondContact N-O 2.6Å; I146-E173 PolarHBondContact O-N 3.09Å; I146-Q178 PolarHBondContact O-NE2 2.85Å; I146-Q178 PolarHBondContact O-OE1 3.2Å |
| 147 | Q | 93.2 | Very high | 90.3 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 13% | 0.126 | 12% | 0.119 | C | C | . | . | trans | -77 | -36.7 | -163.1 | -156 | 176.9 | -0.6 | 0 | 0 | 113.2 | I113 R114 E173 L253 K267 | I113-Q147 PolarHBondContact O-N 3.17Å; R114-Q147 HydrophobicContact CB-CB 4.47Å; Q147-E173 WeakPolarHBondContact CG-OE2 3.45Å; Q147-L253 HydrophobicContact CB-CD2 4.33Å; Q147-L253 HydrophobicContact CG-CD2 4.06Å; Q147-K267 PolarHBondContact NE2-O 2.71Å | ||
| 148 | R | 92.9 | Very high | 89.9 | Confident | 118 Ų | 118 | 29.3 Ų | 29.3 | 45% | 0.445 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -141.5 | 166.8 | 177.6 | -57.8 | -168 | -171.3 | 168.1 | 22.7 | 111.2 | R114 E116 A127 | R114-R148 PolarHBondContact O-N 3.42Å; E116-R148 IonicContact OE1-CZ 3.49Å; E116-R148 IonicContact OE1-NH1 2.64Å; E116-R148 PolarHBondContact OE1-NH1 3.34Å; E116-R148 IonicContact OE1-NH2 2.66Å; E116-R148 IonicContact OE2-CZ 3.28Å; E116-R148 IonicContact OE2-NE 2.89Å; E116-R148 IonicContact OE2-NH1 2.74Å; E116-R148 PolarHBondContact OE2-NH1 3.17Å; E116-R148 VanDerWaalsContact OE2-NH1 3.1Å; E116-R148 IonicContact OE2-NH2 3.48Å; E116-R148 PolarHBondContact OE2-NH2 3.02Å; A127-R148 WeakPolarHBondContact CB-O 3.09Å |
| 149 | N | 93.1 | Very high | 89.5 | Confident | 50 Ų | 50 | 29.5 Ų | 29.5 | 27% | 0.267 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 64.5 | 166.7 | 173.9 | -69.3 | -61.1 | 0 | 0 | 0 | 115.3 | G115 S125 A127 Q178 | G115-N149 PolarHBondContact O-ND2 2.59Å; S125-N149 VanDerWaalsContact CB-OD1 3.23Å; S125-N149 WeakPolarHBondContact CB-OD1 3.27Å; S125-N149 WeakPolarHBondContact O-CB 3.49Å; S125-N149 PolarHBondContact O-OD1 2.83Å; A127-N149 HydrophobicContact CB-CB 4.1Å; N149-Q178 PolarHBondContact O-NE2 2.59Å |
| 150 | D | 92.1 | Very high | 89 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 174.9 | -173.3 | -74.4 | -29.3 | 0 | 0 | 0 | 114 | T124 S125 A126 A127 M179 | T124-D150 HydrophobicContact CG2-CB 4.39Å; T124-D150 PolarHBondContact OG1-OD2 2.98Å; S125-D150 PolarHBondContact O-N 3.44Å; A126-D150 CarbonylContact C-O 3.57Å; A126-D150 WeakPolarHBondContact CA-O 3.24Å; A126-D150 HydrophobicContact CB-CB 4.4Å; A126-D150 WeakPolarHBondContact CB-O 3.22Å; A127-D150 PolarHBondContact N-O 2.9Å; D150-M179 WeakPolarHBondContact OD1-CG 3.44Å; D150-M179 PolarHBondContact OD1-N 2.04Å |
| 151 | I | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129 | 166.3 | -56.6 | 168.8 | 0 | 0 | 0 | 108.4 | L128 I146 W168 F172 M179 F180 I181 | L128-I151 HydrophobicContact CB-CG1 4.22Å; L128-I151 HydrophobicContact CB-CG2 4.12Å; L128-I151 HydrophobicContact CD2-CG2 4.09Å; L128-I151 HydrophobicContact CG-CG2 4.16Å; L128-I151 WeakPolarHBondContact O-CA 3.46Å; I146-I151 HydrophobicContact CD1-CD1 3.6Å; I146-I151 HydrophobicContact CD1-CG1 3.85Å; I151-W168 HydrophobicContact CD1-CD2 3.95Å; I151-W168 HydrophobicContact CD1-CE3 3.25Å; I151-W168 HydrophobicContact CD1-CH2 4.28Å; I151-W168 HydrophobicContact CD1-CZ3 3.46Å; I151-W168 VanDerWaalsContact CD1-CZ3 3.46Å; I151-W168 HydrophobicContact CG2-CH2 4.48Å; I151-F172 HydrophobicContact CD1-CD1 4.43Å; I151-F172 HydrophobicContact CD1-CE1 3.49Å; I151-F172 VanDerWaalsContact CD1-CE1 3.49Å; I151-F172 HydrophobicContact CD1-CZ 3.69Å; I151-F172 HydrophobicContact CG1-CE1 3.74Å; I151-F172 HydrophobicContact CG1-CZ 4.13Å; I151-M179 PolarHBondContact N-O 3.47Å; I151-F180 HydrophobicContact CB-CD2 4.11Å; I151-F180 HydrophobicContact CG2-CD2 3.8Å; I151-F180 HydrophobicContact CG2-CE2 4.28Å; I151-I181 PolarHBondContact O-N 3.08Å |
| 152 | V | 90.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 117.9 | -173.8 | 175.2 | 0 | 0 | 0 | 0 | 110.3 | I121 T124 A126 L128 V129 I130 L154 I181 | I121-V152 HydrophobicContact CD1-CG1 3.97Å; I121-V152 HydrophobicContact CG1-CG1 4.34Å; I121-V152 HydrophobicContact CG2-CB 4.06Å; I121-V152 HydrophobicContact CG2-CG1 4.02Å; I121-V152 HydrophobicContact CG2-CG2 3.85Å; T124-V152 HydrophobicContact CG2-CG2 4.05Å; A126-V152 HydrophobicContact CB-CB 4.23Å; A126-V152 HydrophobicContact CB-CG2 3.68Å; L128-V152 PolarHBondContact O-N 2.78Å; V129-V152 WeakPolarHBondContact CA-O 3.4Å; I130-V152 PolarHBondContact N-O 3.42Å; V152-L154 HydrophobicContact CG1-CD1 3.77Å; V152-L154 HydrophobicContact CG1-CD2 4.35Å; V152-L154 HydrophobicContact CG1-CG 3.77Å; V152-I181 HydrophobicContact CG2-CB 4.18Å; V152-I181 HydrophobicContact CG2-CD1 4.25Å; V152-I181 HydrophobicContact CG2-CG1 4.43Å |
| 153 | A | 88.2 | Confident | 86.6 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 108.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I130 F162 F180 I181 P182 D183 | I130-A153 WeakPolarHBondContact O-CA 3.41Å; A153-F162 HydrophobicContact CB-CE1 4.14Å; A153-F180 HydrophobicContact CB-CE2 3.68Å; A153-F180 HydrophobicContact CB-CZ 4.06Å; A153-I181 PolarHBondContact N-O 3.32Å; A153-P182 CarbonylContact O-C 3.59Å; A153-D183 PolarHBondContact O-N 3.11Å |
| 154 | L | 83.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 31.2 Ų | 31.2 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 136.9 | -171.6 | -55.5 | 175.1 | 0 | 0 | 0 | 111.9 | I121 M122 I130 S131 R132 V152 N156 | I121-L154 HydrophobicContact CD1-CD1 4Å; I121-L154 HydrophobicContact CG1-CD1 4.46Å; M122-L154 HydrophobicContact SD-CD1 3.87Å; I130-L154 PolarHBondContact O-N 3.02Å; S131-L154 WeakPolarHBondContact CA-O 3.48Å; R132-L154 PolarHBondContact N-O 2.71Å; V152-L154 HydrophobicContact CG1-CD1 3.77Å; V152-L154 HydrophobicContact CG1-CD2 4.35Å; V152-L154 HydrophobicContact CG1-CG 3.77Å; L154-N156 PolarHBondContact N-ND2 3.42Å; L154-N156 PolarHBondContact O-N 3.02Å; L154-N156 PolarHBondContact O-ND2 2.85Å; L154-N156 VanDerWaalsContact O-ND2 3.12Å |
| 155 | N | 80.6 | Confident | 85.1 | Confident | 79 Ų | 79 | 31.9 Ų | 31.9 | 42% | 0.422 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 54.8 | 40.6 | 173.5 | -58.8 | -85.4 | 0 | 0 | 0 | 115.3 | R132 D183 | R132-N155 WeakPolarHBondContact CA-O 3.25Å; R132-N155 HydrophobicContact CG-CB 4.18Å; N155-D183 PolarHBondContact N-OD2 2.81Å |
| 156 | N | 78.7 | Confident | 84.8 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | trans | -108.2 | 79.3 | 176.5 | -50.4 | -71.7 | 0 | 0 | 0 | 110.2 | I130 R132 N133 L154 F158 L159 | I130-N156 PolarHBondContact O-ND2 3.49Å; R132-N156 PolarHBondContact N-OD1 3.08Å; N133-N156 WeakPolarHBondContact CB-OD1 3.46Å; N133-N156 PolarHBondContact N-OD1 3.35Å; N133-N156 PolarHBondContact ND2-OD1 3.35Å; L154-N156 PolarHBondContact N-ND2 3.42Å; L154-N156 PolarHBondContact O-N 3.02Å; L154-N156 PolarHBondContact O-ND2 2.85Å; L154-N156 VanDerWaalsContact O-ND2 3.12Å; N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 PolarHBondContact O-N 2.78Å; N156-L159 HydrophobicContact CB-CB 3.83Å; N156-L159 HydrophobicContact CB-CD2 4.02Å; N156-L159 PolarHBondContact O-N 3.27Å | ||
| 157 | Q | 73.6 | Confident | 84.6 | Confident | 120 Ų | 120 | 33.4 Ų | 33.4 | 56% | 0.561 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -29.3 | -165 | -64.6 | -178.1 | 3.4 | 0 | 0 | 114.5 | A192 G193 | Q157-A192 HydrophobicContact CB-CB 4.5Å; Q157-A192 CarbonylContact O-C 3.56Å; Q157-G193 WeakPolarHBondContact O-CA 3.22Å; Q157-G193 PolarHBondContact O-N 3.19Å |
| 158 | F | 80 | Confident | 84.5 | Confident | 104 Ų | 104 | 33.2 Ų | 33.2 | 46% | 0.456 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -3.3 | -176.5 | -57.9 | -71.8 | 0 | 0 | 0 | 113.9 | L135 E136 N156 C160 | L135-F158 CarbonylContact O-C 3.59Å; E136-F158 WeakPolarHBondContact CA-O 3.33Å; N156-F158 VanDerWaalsContact C-N 3.33Å; N156-F158 PolarHBondContact O-N 2.78Å; F158-C160 PolarHBondContact O-N 3.38Å; F158-C160 VanDerWaalsContact O-N 3.13Å; F158-C160 PolarHBondContact O-SG 2.9Å |
| 159 | L | 83.7 | Confident | 84.3 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | trans | -71.4 | 110.2 | -169.3 | -177 | 62.7 | 0 | 0 | 0 | 111.1 | I130 L135 L138 N156 F162 | I130-L159 HydrophobicContact CG2-CD2 4.26Å; L135-L159 HydrophobicContact CB-CD1 4.12Å; L135-L159 WeakPolarHBondContact O-CA 3.42Å; L135-L159 PolarHBondContact O-N 2.89Å; L135-L159 VanDerWaalsContact O-N 3.09Å; L138-L159 HydrophobicContact CB-CD1 4.14Å; N156-L159 HydrophobicContact CB-CB 3.83Å; N156-L159 HydrophobicContact CB-CD2 4.02Å; N156-L159 PolarHBondContact O-N 3.27Å; L159-F162 HydrophobicContact CD1-CB 4.32Å; L159-F162 HydrophobicContact CD2-CB 3.81Å; L159-F162 HydrophobicContact CD2-CD1 3.89Å; L159-F162 HydrophobicContact CD2-CD2 4.28Å; L159-F162 HydrophobicContact CD2-CG 3.72Å; L159-F162 HydrophobicContact CG-CB 3.74Å; L159-F162 HydrophobicContact CG-CG 4.2Å | ||
| 160 | C | 81.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | trans | -94.3 | 161.5 | 180 | -58 | 0 | 0 | 0 | 0 | 110.5 | E136 F158 F162 C194 | E136-C160 WeakPolarHBondContact O-CB 3.09Å; E136-C160 PolarHBondContact O-N 3.48Å; F158-C160 PolarHBondContact O-N 3.38Å; F158-C160 VanDerWaalsContact O-N 3.13Å; F158-C160 PolarHBondContact O-SG 2.9Å; C160-F162 PolarHBondContact O-N 2.82Å; C160-F162 VanDerWaalsContact O-N 3.08Å; C160-C194 WeakPolarHBondContact SG-CB 3.38Å | ||
| 161 | N | 81.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 49.6 | 38.8 | 173 | -53.9 | 125 | 0 | 0 | 0 | 114.5 | T165 H201 | N161-T165 WeakPolarHBondContact CA-OG1 3.29Å; N161-T165 WeakPolarHBondContact CB-OG1 3.41Å; N161-T165 PolarHBondContact O-OG1 2.92Å; N161-H201 PolarHBondContact ND2-O 3.45Å; N161-H201 VanDerWaalsContact ND2-O 3.13Å |
| 162 | F | 82.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -128.1 | -69.8 | -179.3 | -167.5 | -88.9 | 0 | 0 | 0 | 112.1 | I130 L138 A153 L159 C160 F164 I166 W168 F180 W217 | I130-F162 HydrophobicContact CD1-CE1 3.79Å; I130-F162 HydrophobicContact CD1-CE2 3.52Å; I130-F162 HydrophobicContact CD1-CZ 3.09Å; L138-F162 HydrophobicContact CD2-CD2 4.45Å; L138-F162 HydrophobicContact CD2-CE2 3.99Å; A153-F162 HydrophobicContact CB-CE1 4.14Å; L159-F162 HydrophobicContact CD1-CB 4.32Å; L159-F162 HydrophobicContact CD2-CB 3.81Å; L159-F162 HydrophobicContact CD2-CD1 3.89Å; L159-F162 HydrophobicContact CD2-CD2 4.28Å; L159-F162 HydrophobicContact CD2-CG 3.72Å; L159-F162 HydrophobicContact CG-CB 3.74Å; L159-F162 HydrophobicContact CG-CG 4.2Å; C160-F162 PolarHBondContact O-N 2.82Å; C160-F162 VanDerWaalsContact O-N 3.08Å; F162-F164 PolarHBondContact O-N 3.29Å; F162-F164 VanDerWaalsContact O-N 3.14Å; F162-I166 HydrophobicContact CB-CD1 4.4Å; F162-I166 HydrophobicContact CD2-CD1 3.54Å; F162-I166 HydrophobicContact CE2-CD1 3.82Å; F162-I166 HydrophobicContact CG-CD1 3.96Å; F162-I166 HydrophobicContact CZ-CD1 4.44Å; F162-W168 HydrophobicContact CD1-CZ2 4.18Å; F162-W168 AromaticContact CE1-CH2 3.97Å; F162-W168 HydrophobicContact CE1-CH2 3.97Å; F162-W168 AromaticContact CE1-CZ2 3.55Å; F162-W168 HydrophobicContact CE1-CZ2 3.55Å; F162-W168 AromaticContact CE2-CH2 3.76Å; F162-W168 HydrophobicContact CE2-CH2 3.76Å; F162-W168 HydrophobicContact CE2-CZ2 4.05Å; F162-W168 AromaticContact CZ-CH2 3.35Å; F162-W168 HydrophobicContact CZ-CH2 3.35Å; F162-W168 AromaticContact CZ-CZ2 3.45Å; F162-W168 HydrophobicContact CZ-CZ2 3.45Å; F162-W168 VanDerWaalsContact CZ-CZ2 3.45Å; F162-F180 AromaticContact CE1-CE2 3.96Å; F162-F180 HydrophobicContact CE1-CE2 3.96Å; F162-F180 HydrophobicContact CE1-CZ 4.29Å; F162-W217 HydrophobicContact CD2-CZ3 4.41Å; F162-W217 AromaticContact CE2-CZ3 3.97Å; F162-W217 HydrophobicContact CE2-CZ3 3.97Å |
| 163 | G | 69.3 | Low | 84.4 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 164 | F | 74.2 | Confident | 84.4 | Confident | 83 Ų | 83 | 34.4 Ų | 34.4 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 4.6 | -174.2 | -62.2 | -74.3 | 0 | 0 | 0 | 116.5 | F162 S190 R213 | F162-F164 PolarHBondContact O-N 3.29Å; F162-F164 VanDerWaalsContact O-N 3.14Å; F164-S190 WeakPolarHBondContact CE2-OG 3.46Å; F164-R213 VanDerWaalsContact C-NH2 3.34Å; F164-R213 PolarHBondContact O-NE 2.03Å; F164-R213 PolarHBondContact O-NH2 3.44Å |
| 165 | T | 84.3 | Confident | 84.4 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 10% | 0.104 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | 10.5 | 176.8 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | N161 Y215 C216 | N161-T165 WeakPolarHBondContact CA-OG1 3.29Å; N161-T165 WeakPolarHBondContact CB-OG1 3.41Å; N161-T165 PolarHBondContact O-OG1 2.92Å; T165-Y215 CarbonylContact O-C 3.33Å; T165-Y215 WeakPolarHBondContact O-CA 3.46Å; T165-C216 WeakPolarHBondContact CB-O 3Å; T165-C216 PolarHBondContact O-N 2.85Å; T165-C216 PolarHBondContact OG1-O 3.36Å |
| 166 | I | 89.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | trans | -111.4 | 130.5 | 175.2 | -57.8 | 166.2 | 0 | 0 | 0 | 109.5 | F162 W168 I171 W217 | F162-I166 HydrophobicContact CB-CD1 4.4Å; F162-I166 HydrophobicContact CD2-CD1 3.54Å; F162-I166 HydrophobicContact CE2-CD1 3.82Å; F162-I166 HydrophobicContact CG-CD1 3.96Å; F162-I166 HydrophobicContact CZ-CD1 4.44Å; I166-W168 HydrophobicContact CB-CD2 4.31Å; I166-W168 HydrophobicContact CB-CH2 4.34Å; I166-W168 HydrophobicContact CB-CZ2 3.94Å; I166-W168 HydrophobicContact CD1-CH2 3.57Å; I166-W168 HydrophobicContact CD1-CZ2 3.52Å; I166-W168 HydrophobicContact CD1-CZ3 4.45Å; I166-W168 HydrophobicContact CG1-CZ2 4.34Å; I166-W168 HydrophobicContact CG2-CD2 3.69Å; I166-W168 HydrophobicContact CG2-CE3 3.7Å; I166-W168 HydrophobicContact CG2-CG 4.34Å; I166-W168 HydrophobicContact CG2-CH2 3.89Å; I166-W168 HydrophobicContact CG2-CZ2 3.89Å; I166-W168 HydrophobicContact CG2-CZ3 3.79Å; I166-W168 PolarHBondContact O-N 3.21Å; I166-I171 HydrophobicContact CG2-CD1 3.79Å; I166-W217 HydrophobicContact CD1-CD2 4.11Å; I166-W217 HydrophobicContact CD1-CE3 3.46Å; I166-W217 VanDerWaalsContact CD1-CE3 3.46Å; I166-W217 HydrophobicContact CD1-CH2 3.94Å; I166-W217 HydrophobicContact CD1-CZ3 3.36Å; I166-W217 HydrophobicContact CG1-CD2 4.38Å; I166-W217 HydrophobicContact CG1-CE3 4.21Å; I166-W217 HydrophobicContact CG1-CZ3 4.32Å; I166-W217 HydrophobicContact CG2-CH2 4.33Å; I166-W217 HydrophobicContact CG2-CZ2 4.41Å | ||
| 167 | D | 90.6 | Very high | 85.1 | Confident | 25 Ų | 25 | 47.6 Ų | 47.6 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | trans | -86.2 | 88.9 | 169.3 | -170.3 | -12.4 | 0 | 0 | 0 | 108 | E169 Q170 Y215 Q225 M227 R242 | D167-E169 PolarHBondContact O-N 3.36Å; D167-E169 PolarHBondContact OD1-N 2.93Å; D167-Q170 HydrophobicContact CB-CB 4.45Å; D167-Q170 HydrophobicContact CB-CG 3.84Å; D167-Q170 VanDerWaalsContact CG-CG 3.44Å; D167-Q170 WeakPolarHBondContact O-CB 3.38Å; D167-Q170 PolarHBondContact O-N 2.9Å; D167-Q170 VanDerWaalsContact OD2-CG 3.3Å; D167-Q170 WeakPolarHBondContact OD2-CG 3.28Å; D167-Y215 HydrophobicContact CB-CD1 3.66Å; D167-Y215 HydrophobicContact CB-CE1 3.64Å; D167-Y215 HydrophobicContact CB-CG 4.47Å; D167-Q225 PolarHBondContact O-NE2 3.23Å; D167-M227 HydrophobicContact CB-CE 3.99Å; D167-M227 WeakPolarHBondContact OD2-CE 3.28Å; D167-R242 IonicContact OD2-NH2 3.72Å; D167-R242 PolarHBondContact OD2-NH2 2.85Å; D167-R242 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 168 | W | 90.8 | Very high | 86 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 9% | 0.087 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -63.6 | -27 | -176.4 | -65.8 | 115.6 | 0 | 0 | 0 | 113.1 | I151 F162 I166 Q170 I171 F172 F180 W217 | I151-W168 HydrophobicContact CD1-CD2 3.95Å; I151-W168 HydrophobicContact CD1-CE3 3.25Å; I151-W168 HydrophobicContact CD1-CH2 4.28Å; I151-W168 HydrophobicContact CD1-CZ3 3.46Å; I151-W168 VanDerWaalsContact CD1-CZ3 3.46Å; I151-W168 HydrophobicContact CG2-CH2 4.48Å; F162-W168 HydrophobicContact CD1-CZ2 4.18Å; F162-W168 AromaticContact CE1-CH2 3.97Å; F162-W168 HydrophobicContact CE1-CH2 3.97Å; F162-W168 AromaticContact CE1-CZ2 3.55Å; F162-W168 HydrophobicContact CE1-CZ2 3.55Å; F162-W168 AromaticContact CE2-CH2 3.76Å; F162-W168 HydrophobicContact CE2-CH2 3.76Å; F162-W168 HydrophobicContact CE2-CZ2 4.05Å; F162-W168 AromaticContact CZ-CH2 3.35Å; F162-W168 HydrophobicContact CZ-CH2 3.35Å; F162-W168 AromaticContact CZ-CZ2 3.45Å; F162-W168 HydrophobicContact CZ-CZ2 3.45Å; F162-W168 VanDerWaalsContact CZ-CZ2 3.45Å; I166-W168 HydrophobicContact CB-CD2 4.31Å; I166-W168 HydrophobicContact CB-CH2 4.34Å; I166-W168 HydrophobicContact CB-CZ2 3.94Å; I166-W168 HydrophobicContact CD1-CH2 3.57Å; I166-W168 HydrophobicContact CD1-CZ2 3.52Å; I166-W168 HydrophobicContact CD1-CZ3 4.45Å; I166-W168 HydrophobicContact CG1-CZ2 4.34Å; I166-W168 HydrophobicContact CG2-CD2 3.69Å; I166-W168 HydrophobicContact CG2-CE3 3.7Å; I166-W168 HydrophobicContact CG2-CG 4.34Å; I166-W168 HydrophobicContact CG2-CH2 3.89Å; I166-W168 HydrophobicContact CG2-CZ2 3.89Å; I166-W168 HydrophobicContact CG2-CZ3 3.79Å; I166-W168 PolarHBondContact O-N 3.21Å; W168-Q170 PolarHBondContact O-N 2.58Å; W168-I171 HydrophobicContact CE3-CD1 3.87Å; W168-I171 HydrophobicContact CZ3-CD1 3.92Å; W168-I171 PolarHBondContact O-N 3.27Å; W168-F172 HydrophobicContact CB-CD2 4.27Å; W168-F172 HydrophobicContact CB-CE2 3.67Å; W168-F172 HydrophobicContact CB-CZ 4.19Å; W168-F172 VanDerWaalsContact O-CD2 3.28Å; W168-F172 WeakPolarHBondContact O-CD2 3.03Å; W168-F172 PolarHBondContact O-N 2.88Å; W168-F172 VanDerWaalsContact O-N 3.09Å; W168-F180 AromaticContact CD1-CD1 3.76Å; W168-F180 AromaticContact CD1-CG 3.68Å; W168-F180 HydrophobicContact CG-CB 4.02Å; W168-F180 HydrophobicContact CG-CG 4.36Å; W168-F180 HydrophobicContact CZ2-CD2 4.35Å; W168-F180 HydrophobicContact CZ2-CE2 4.37Å; W168-F180 AromaticContact NE1-CD1 3.49Å; W168-F180 AromaticContact NE1-CD2 3.84Å; W168-F180 AromaticContact NE1-CE1 3.88Å; W168-F180 AromaticContact NE1-CG 3.46Å; W168-W217 HydrophobicContact CH2-CH2 4.11Å; W168-W217 HydrophobicContact CH2-CZ3 4.14Å; W168-W217 HydrophobicContact CZ3-CH2 4.03Å |
| 169 | E | 89.3 | Confident | 86.4 | Confident | 121 Ų | 121 | 42.8 Ų | 42.8 | 57% | 0.565 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -64.7 | -17.6 | 174 | -69.2 | -176.1 | -144.4 | 0 | 0 | 113.1 | D167 I171 N175 K229 | D167-E169 PolarHBondContact O-N 3.36Å; D167-E169 PolarHBondContact OD1-N 2.93Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-N175 VanDerWaalsContact CB-ND2 3.31Å; E169-N175 WeakPolarHBondContact CB-ND2 3.43Å; E169-N175 PolarHBondContact O-ND2 2.81Å; E169-N175 PolarHBondContact O-OD1 3.29Å; E169-K229 VanDerWaalsContact O-CD 3.29Å; E169-K229 WeakPolarHBondContact O-CD 3.01Å; E169-K229 PolarHBondContact O-NZ 3.21Å |
| 170 | Q | 90.6 | Very high | 86.7 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -81.8 | -9.2 | 171.2 | -60.8 | -65 | -85.7 | 0 | 0 | 113.8 | D167 W168 M227 | D167-Q170 HydrophobicContact CB-CB 4.45Å; D167-Q170 HydrophobicContact CB-CG 3.84Å; D167-Q170 VanDerWaalsContact CG-CG 3.44Å; D167-Q170 WeakPolarHBondContact O-CB 3.38Å; D167-Q170 PolarHBondContact O-N 2.9Å; D167-Q170 VanDerWaalsContact OD2-CG 3.3Å; D167-Q170 WeakPolarHBondContact OD2-CG 3.28Å; W168-Q170 PolarHBondContact O-N 2.58Å; Q170-M227 HydrophobicContact CG-CE 3.72Å; Q170-M227 HydrophobicContact CG-SD 4.02Å |
| 171 | I | 93.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -36 | -171.1 | -59.3 | 174.1 | 0 | 0 | 0 | 111.9 | L143 A145 I146 I166 W168 E169 W217 | L143-I171 HydrophobicContact CG-CG2 4.2Å; A145-I171 CarbonylContact C-O 3.2Å; A145-I171 VanDerWaalsContact CA-O 3.23Å; A145-I171 WeakPolarHBondContact CA-O 3.47Å; I146-I171 HydrophobicContact CB-CG2 4.31Å; I146-I171 HydrophobicContact CD1-CG2 3.81Å; I146-I171 HydrophobicContact CG1-CG2 3.71Å; I146-I171 PolarHBondContact N-O 2.6Å; I166-I171 HydrophobicContact CG2-CD1 3.79Å; W168-I171 HydrophobicContact CE3-CD1 3.87Å; W168-I171 HydrophobicContact CZ3-CD1 3.92Å; W168-I171 PolarHBondContact O-N 3.27Å; E169-I171 VanDerWaalsContact C-N 3.33Å; I171-W217 HydrophobicContact CD1-CH2 3.9Å; I171-W217 HydrophobicContact CD1-CZ2 3.67Å |
| 172 | F | 93.8 | Very high | 86.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 141.7 | 174.1 | -63.7 | -51 | 0 | 0 | 0 | 111.9 | I151 W168 Q178 M179 K229 | I151-F172 HydrophobicContact CD1-CD1 4.43Å; I151-F172 HydrophobicContact CD1-CE1 3.49Å; I151-F172 VanDerWaalsContact CD1-CE1 3.49Å; I151-F172 HydrophobicContact CD1-CZ 3.69Å; I151-F172 HydrophobicContact CG1-CE1 3.74Å; I151-F172 HydrophobicContact CG1-CZ 4.13Å; W168-F172 HydrophobicContact CB-CD2 4.27Å; W168-F172 HydrophobicContact CB-CE2 3.67Å; W168-F172 HydrophobicContact CB-CZ 4.19Å; W168-F172 VanDerWaalsContact O-CD2 3.28Å; W168-F172 WeakPolarHBondContact O-CD2 3.03Å; W168-F172 PolarHBondContact O-N 2.88Å; W168-F172 VanDerWaalsContact O-N 3.09Å; F172-Q178 HydrophobicContact CB-CB 4.23Å; F172-Q178 HydrophobicContact CD1-CB 3.34Å; F172-Q178 HydrophobicContact CD1-CG 4.14Å; F172-Q178 HydrophobicContact CD2-CB 4.36Å; F172-Q178 HydrophobicContact CE1-CB 3.64Å; F172-Q178 HydrophobicContact CG-CB 3.75Å; F172-Q178 HydrophobicContact CZ-CB 4.3Å; F172-M179 VanDerWaalsContact CZ-C 3.44Å; F172-K229 WeakPolarHBondContact O-CE 3.44Å; F172-K229 PolarHBondContact O-NZ 3.45Å |
| 173 | E | 91.1 | Very high | 85.9 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -71.1 | -47.9 | 168.4 | -176.2 | 173.1 | -155.4 | 0 | 0 | 110.1 | I146 Q147 K267 | I146-E173 PolarHBondContact O-N 3.09Å; Q147-E173 WeakPolarHBondContact CG-OE2 3.45Å; E173-K267 WeakPolarHBondContact OE1-CE 3Å; E173-K267 IonicContact OE1-NZ 3.16Å; E173-K267 PolarHBondContact OE1-NZ 2.81Å |
| 174 | D | 88.2 | Confident | 85.2 | Confident | 23 Ų | 23 | 59.3 Ų | 59.3 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | trans | -123.1 | 94.9 | 178.7 | -167.7 | -0.1 | 0 | 0 | 0 | 111.5 | R176 K177 Q178 | D174-R176 PolarHBondContact O-N 3.37Å; D174-R176 WeakPolarHBondContact OD1-CB 3.27Å; D174-R176 IonicContact OD1-CZ 3.85Å; D174-R176 VanDerWaalsContact OD1-CZ 3.28Å; D174-R176 PolarHBondContact OD1-N 3.31Å; D174-R176 IonicContact OD1-NE 2.56Å; D174-R176 PolarHBondContact OD1-NE 3.21Å; D174-R176 IonicContact OD1-NH2 3.11Å; D174-R176 PolarHBondContact OD1-NH2 3.07Å; D174-R176 IonicContact OD2-NE 2.83Å; D174-R176 IonicContact OD2-NH2 3.71Å; D174-K177 HydrophobicContact CB-CB 4.4Å; D174-K177 HydrophobicContact CB-CG 4.46Å; D174-K177 PolarHBondContact O-N 3.29Å; D174-K177 WeakPolarHBondContact OD2-CE 3.22Å; D174-K177 WeakPolarHBondContact OD2-CG 3.5Å; D174-K177 IonicContact OD2-NZ 2.7Å; D174-K177 PolarHBondContact OD2-NZ 3.06Å; D174-Q178 VanDerWaalsContact N-OE1 3.11Å; D174-Q178 PolarHBondContact O-N 3.48Å | ||
| 175 | N | 85 | Confident | 84.2 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 23% | 0.225 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -13.6 | 178.7 | -61.8 | 12.5 | 0 | 0 | 0 | 113.8 | E169 K229 | E169-N175 VanDerWaalsContact CB-ND2 3.31Å; E169-N175 WeakPolarHBondContact CB-ND2 3.43Å; E169-N175 PolarHBondContact O-ND2 2.81Å; E169-N175 PolarHBondContact O-OD1 3.29Å; N175-K229 PolarHBondContact OD1-NZ 3.32Å |
| 176 | R | 86.7 | Confident | 82.3 | Confident | 181 Ų | 181 | 70.6 Ų | 70.6 | 68% | 0.683 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -16.8 | 176.7 | -60.8 | 166.1 | -69.5 | -128.4 | -17.7 | 113.8 | D174 D235 | D174-R176 PolarHBondContact O-N 3.37Å; D174-R176 WeakPolarHBondContact OD1-CB 3.27Å; D174-R176 IonicContact OD1-CZ 3.85Å; D174-R176 VanDerWaalsContact OD1-CZ 3.28Å; D174-R176 PolarHBondContact OD1-N 3.31Å; D174-R176 IonicContact OD1-NE 2.56Å; D174-R176 PolarHBondContact OD1-NE 3.21Å; D174-R176 IonicContact OD1-NH2 3.11Å; D174-R176 PolarHBondContact OD1-NH2 3.07Å; D174-R176 IonicContact OD2-NE 2.83Å; D174-R176 IonicContact OD2-NH2 3.71Å; R176-D235 IonicContact CZ-OD2 3.41Å; R176-D235 IonicContact NH1-OD2 2.65Å; R176-D235 PolarHBondContact NH1-OD2 3.13Å; R176-D235 IonicContact NH2-OD2 3.92Å; R176-D235 PolarHBondContact NH2-OD2 2.62Å |
| 177 | K | 87.8 | Confident | 80.1 | Confident | 164 Ų | 164 | 79.4 Ų | 79.4 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -13.9 | -174 | -64.5 | -168.2 | -173.3 | 97 | 0 | 114.3 | D174 | D174-K177 HydrophobicContact CB-CB 4.4Å; D174-K177 HydrophobicContact CB-CG 4.46Å; D174-K177 PolarHBondContact O-N 3.29Å; D174-K177 WeakPolarHBondContact OD2-CE 3.22Å; D174-K177 WeakPolarHBondContact OD2-CG 3.5Å; D174-K177 IonicContact OD2-NZ 2.7Å; D174-K177 PolarHBondContact OD2-NZ 3.06Å |
| 178 | Q | 90.8 | Very high | 77.7 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | trans | -124 | 138.6 | -174.9 | -56 | 174.8 | -92.4 | 0 | 0 | 109.5 | I146 N149 F172 D174 | I146-Q178 PolarHBondContact O-NE2 2.85Å; I146-Q178 PolarHBondContact O-OE1 3.2Å; N149-Q178 PolarHBondContact O-NE2 2.59Å; F172-Q178 HydrophobicContact CB-CB 4.23Å; F172-Q178 HydrophobicContact CD1-CB 3.34Å; F172-Q178 HydrophobicContact CD1-CG 4.14Å; F172-Q178 HydrophobicContact CD2-CB 4.36Å; F172-Q178 HydrophobicContact CE1-CB 3.64Å; F172-Q178 HydrophobicContact CG-CB 3.75Å; F172-Q178 HydrophobicContact CZ-CB 4.3Å; D174-Q178 VanDerWaalsContact N-OE1 3.11Å; D174-Q178 PolarHBondContact O-N 3.48Å | ||
| 179 | M | 89.6 | Confident | 75.6 | Confident | 112 Ų | 112 | 79.7 Ų | 79.7 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | trans | -134.7 | 158.4 | 176.5 | 66.2 | 177.3 | 75.2 | 0 | 0 | 113.2 | D150 I151 F172 I181 | D150-M179 WeakPolarHBondContact OD1-CG 3.44Å; D150-M179 PolarHBondContact OD1-N 2.04Å; I151-M179 PolarHBondContact N-O 3.47Å; F172-M179 VanDerWaalsContact CZ-C 3.44Å; M179-I181 HydrophobicContact CG-CD1 4.26Å; M179-I181 HydrophobicContact CG-CG1 3.81Å; M179-I181 HydrophobicContact SD-CD1 4.3Å; M179-I181 HydrophobicContact SD-CG1 4.08Å | ||
| 180 | F | 89.2 | Confident | 73.5 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 18% | 0.184 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.2 | 167 | 172.1 | -120.4 | 0 | 0 | 0 | 109.1 | I151 A153 F162 W168 P182 | I151-F180 HydrophobicContact CB-CD2 4.11Å; I151-F180 HydrophobicContact CG2-CD2 3.8Å; I151-F180 HydrophobicContact CG2-CE2 4.28Å; A153-F180 HydrophobicContact CB-CE2 3.68Å; A153-F180 HydrophobicContact CB-CZ 4.06Å; F162-F180 AromaticContact CE1-CE2 3.96Å; F162-F180 HydrophobicContact CE1-CE2 3.96Å; F162-F180 HydrophobicContact CE1-CZ 4.29Å; W168-F180 AromaticContact CD1-CD1 3.76Å; W168-F180 AromaticContact CD1-CG 3.68Å; W168-F180 HydrophobicContact CG-CB 4.02Å; W168-F180 HydrophobicContact CG-CG 4.36Å; W168-F180 HydrophobicContact CZ2-CD2 4.35Å; W168-F180 HydrophobicContact CZ2-CE2 4.37Å; W168-F180 AromaticContact NE1-CD1 3.49Å; W168-F180 AromaticContact NE1-CD2 3.84Å; W168-F180 AromaticContact NE1-CE1 3.88Å; W168-F180 AromaticContact NE1-CG 3.46Å; F180-P182 HydrophobicContact CE1-CB 4.24Å; F180-P182 HydrophobicContact CZ-CB 4.46Å; F180-P182 VanDerWaalsContact O-CD 3.29Å; F180-P182 WeakPolarHBondContact O-CD 3.03Å |
| 181 | I | 85.8 | Confident | 71.2 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 105.6 | 178.9 | -52.4 | -172.9 | 0 | 0 | 0 | 108.9 | T124 I151 V152 A153 M179 | T124-I181 HydrophobicContact CG2-CD1 3.83Å; I151-I181 PolarHBondContact O-N 3.08Å; V152-I181 HydrophobicContact CG2-CB 4.18Å; V152-I181 HydrophobicContact CG2-CD1 4.25Å; V152-I181 HydrophobicContact CG2-CG1 4.43Å; A153-I181 PolarHBondContact N-O 3.32Å; M179-I181 HydrophobicContact CG-CD1 4.26Å; M179-I181 HydrophobicContact CG-CG1 3.81Å; M179-I181 HydrophobicContact SD-CD1 4.3Å; M179-I181 HydrophobicContact SD-CG1 4.08Å |
| 182 | P | 76 | Confident | 69 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 38% | 0.383 | 39% | 0.394 | S | S | . | . | trans | -76.9 | 174.8 | 172.6 | 33.4 | -36.3 | 0 | 0 | 0 | 112.1 | A153 F180 V189 | A153-P182 CarbonylContact O-C 3.59Å; F180-P182 HydrophobicContact CE1-CB 4.24Å; F180-P182 HydrophobicContact CZ-CB 4.46Å; F180-P182 VanDerWaalsContact O-CD 3.29Å; F180-P182 WeakPolarHBondContact O-CD 3.03Å; P182-V189 HydrophobicContact CB-CG2 3.44Å; P182-V189 VanDerWaalsContact CB-CG2 3.44Å | ||
| 183 | D | 67 | Low | 66.9 | Low | 39 Ų | 39 | 83.9 Ų | 83.9 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | trans | -57.4 | 143.3 | 173.1 | -153.8 | -52.3 | 0 | 0 | 0 | 112.1 | A153 N155 K185 | A153-D183 PolarHBondContact O-N 3.11Å; N155-D183 PolarHBondContact N-OD2 2.81Å; D183-K185 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 3.26Å; D183-K185 PolarHBondContact OD1-N 3.05Å | ||
| 184 | R | 56.1 | Low | 65.3 | Low | 190 Ų | 190 | 84 Ų | 84 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -73.2 | -14.3 | -176.9 | -82.2 | -174 | 171.2 | 173.2 | -0.6 | 113.5 | ||
| 185 | K | 51.8 | Low | 63.7 | Low | 165 Ų | 165 | 84.8 Ų | 84.8 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -77.3 | 129.4 | 176.7 | -70.9 | -179.4 | 178.4 | 175.8 | 0 | 110.6 | D183 | D183-K185 VanDerWaalsContact C-N 3.26Å; D183-K185 PolarHBondContact O-N 3.26Å; D183-K185 PolarHBondContact OD1-N 3.05Å |
| 186 | E | 44.5 | Very low | 62.1 | Low | 172 Ų | 172 | 87.5 Ų | 87.5 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 135 | -158 | -61 | -176.5 | 112.8 | 0 | 0 | 115.9 | T188 | E186-T188 VanDerWaalsContact C-N 3.27Å; E186-T188 PolarHBondContact O-N 3.18Å |
| 187 | K | 42.9 | Very low | 60.3 | Low | 193 Ų | 193 | 81.5 Ų | 81.5 | 84% | 0.839 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | -12.2 | 163.3 | -70.6 | 179 | 177.5 | 170.4 | 0 | 119.4 | ||
| 188 | T | 41 | Very low | 58.5 | Low | 34 Ų | 34 | 85.6 Ų | 85.6 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | trans | -146.3 | 120.5 | -178.3 | 56.4 | 0 | 0 | 0 | 0 | 117.6 | E186 S190 H191 | E186-T188 VanDerWaalsContact C-N 3.27Å; E186-T188 PolarHBondContact O-N 3.18Å; T188-S190 VanDerWaalsContact CB-OG 3.25Å; T188-S190 WeakPolarHBondContact CB-OG 3.42Å; T188-S190 WeakPolarHBondContact CG2-OG 3.24Å; T188-S190 PolarHBondContact O-N 3.1Å; T188-S190 VanDerWaalsContact O-N 3.14Å; T188-H191 HydrophobicContact CG2-CB 4.25Å; T188-H191 WeakPolarHBondContact CG2-CD2 3.17Å; T188-H191 VanDerWaalsContact CG2-CG 3.44Å; T188-H191 WeakPolarHBondContact CG2-NE2 3.41Å; T188-H191 WeakPolarHBondContact OG1-CB 3.45Å; T188-H191 PolarHBondContact OG1-CD2 3.02Å; T188-H191 PolarHBondContact OG1-N 2.66Å | ||
| 189 | V | 46.2 | Very low | 56.5 | Low | 20 Ų | 20 | 90.9 Ų | 90.9 | 12% | 0.121 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -79 | 58.4 | 143.6 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | P182 | P182-V189 HydrophobicContact CB-CG2 3.44Å; P182-V189 VanDerWaalsContact CB-CG2 3.44Å |
| 190 | S | 46 | Very low | 54.6 | Low | 17 Ų | 17 | 92.1 Ų | 92.1 | 12% | 0.119 | 45% | 0.448 | C | S | . | . | trans | -173.7 | -23.2 | -178 | 55.9 | 0 | 0 | 0 | 0 | 118.9 | F164 T188 A192 G193 I196 | F164-S190 WeakPolarHBondContact CE2-OG 3.46Å; T188-S190 VanDerWaalsContact CB-OG 3.25Å; T188-S190 WeakPolarHBondContact CB-OG 3.42Å; T188-S190 WeakPolarHBondContact CG2-OG 3.24Å; T188-S190 PolarHBondContact O-N 3.1Å; T188-S190 VanDerWaalsContact O-N 3.14Å; S190-A192 PolarHBondContact O-N 3.46Å; S190-G193 PolarHBondContact O-N 2.81Å; S190-I196 WeakPolarHBondContact O-CG1 3.44Å | ||
| 191 | H | 42.4 | Very low | 53 | Low | 135 Ų | 135 | 93.6 Ų | 93.6 | 63% | 0.625 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 2.5 | -168.9 | -84 | -33.4 | 0 | 0 | 0 | 117.2 | T188 I196 | T188-H191 HydrophobicContact CG2-CB 4.25Å; T188-H191 WeakPolarHBondContact CG2-CD2 3.17Å; T188-H191 VanDerWaalsContact CG2-CG 3.44Å; T188-H191 WeakPolarHBondContact CG2-NE2 3.41Å; T188-H191 WeakPolarHBondContact OG1-CB 3.45Å; T188-H191 PolarHBondContact OG1-CD2 3.02Å; T188-H191 PolarHBondContact OG1-N 2.66Å; H191-I196 WeakPolarHBondContact O-CD1 3.36Å |
| 192 | A | 46.7 | Very low | 52.3 | Low | 65 Ų | 65 | 96 Ų | 96 | 54% | 0.537 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -1.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q157 S190 | Q157-A192 HydrophobicContact CB-CB 4.5Å; Q157-A192 CarbonylContact O-C 3.56Å; S190-A192 PolarHBondContact O-N 3.46Å |
| 193 | G | 50.3 | Low | 52.5 | Low | 9 Ų | 9 | 94 Ų | 94 | 9% | 0.093 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -113.9 | -177.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q157 S190 D195 I196 | Q157-G193 WeakPolarHBondContact O-CA 3.22Å; Q157-G193 PolarHBondContact O-N 3.19Å; S190-G193 PolarHBondContact O-N 2.81Å; G193-D195 PolarHBondContact O-N 2.91Å; G193-D195 VanDerWaalsContact O-N 3.15Å; G193-I196 VanDerWaalsContact O-CD1 3.24Å; G193-I196 WeakPolarHBondContact O-CD1 3.37Å; G193-I196 WeakPolarHBondContact O-CG1 3.44Å; G193-I196 PolarHBondContact O-N 2.7Å |
| 194 | C | 57.3 | Low | 53.6 | Low | 48 Ų | 48 | 96.1 Ų | 96.1 | 32% | 0.324 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -72 | -11.7 | -168.5 | -54.2 | 0 | 0 | 0 | 0 | 115.4 | C160 I196 D197 H201 | C160-C194 WeakPolarHBondContact SG-CB 3.38Å; C194-I196 PolarHBondContact O-N 2.91Å; C194-I196 VanDerWaalsContact O-N 3.12Å; C194-D197 PolarHBondContact O-N 2.95Å; C194-H201 HydrophobicContact CB-CB 4.33Å; C194-H201 WeakPolarHBondContact CB-CD2 3.39Å; C194-H201 VanDerWaalsContact SG-CD2 3.58Å |
| 195 | D | 54.8 | Low | 55 | Low | 40 Ų | 40 | 91 Ų | 91 | 21% | 0.214 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -67 | -3.2 | 174.1 | -89.7 | 23.3 | 0 | 0 | 0 | 113.3 | G193 | G193-D195 PolarHBondContact O-N 2.91Å; G193-D195 VanDerWaalsContact O-N 3.15Å |
| 196 | I | 50.3 | Low | 56.9 | Low | 100 Ų | 100 | 86.6 Ų | 86.6 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -66.8 | -43.2 | 170.4 | -59.6 | 159.8 | 0 | 0 | 0 | 111.6 | S190 H191 G193 C194 R198 | S190-I196 WeakPolarHBondContact O-CG1 3.44Å; H191-I196 WeakPolarHBondContact O-CD1 3.36Å; G193-I196 VanDerWaalsContact O-CD1 3.24Å; G193-I196 WeakPolarHBondContact O-CD1 3.37Å; G193-I196 WeakPolarHBondContact O-CG1 3.44Å; G193-I196 PolarHBondContact O-N 2.7Å; C194-I196 PolarHBondContact O-N 2.91Å; C194-I196 VanDerWaalsContact O-N 3.12Å; I196-R198 PolarHBondContact O-N 2.87Å |
| 197 | D | 49.3 | Very low | 59.1 | Low | 54 Ų | 54 | 78.8 Ų | 78.8 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | trans | -96.9 | 97.1 | -170.4 | -174.9 | -9 | 0 | 0 | 0 | 110.2 | C194 T199 K200 | C194-D197 PolarHBondContact O-N 2.95Å; D197-T199 PolarHBondContact O-N 3.28Å; D197-T199 WeakPolarHBondContact OD1-CB 3.13Å; D197-T199 PolarHBondContact OD1-N 2.99Å; D197-T199 PolarHBondContact OD1-OG1 3.19Å; D197-K200 HydrophobicContact CB-CB 4.2Å; D197-K200 PolarHBondContact O-N 3.06Å; D197-K200 WeakPolarHBondContact OD2-CG 3.29Å; D197-K200 IonicContact OD2-NZ 2.76Å; D197-K200 PolarHBondContact OD2-NZ 2.64Å | ||
| 198 | R | 50.6 | Low | 61.3 | Low | 251 Ų | 251 | 71.7 Ų | 71.7 | 95% | 0.947 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -15.2 | 176 | -72.9 | -172.1 | 176.4 | -168.5 | -0.5 | 114.4 | I196 | I196-R198 PolarHBondContact O-N 2.87Š|
| 199 | T | 49.4 | Very low | 63.4 | Low | 121 Ų | 121 | 74.9 Ų | 74.9 | 74% | 0.742 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -8.5 | -178.6 | 71.6 | 0 | 0 | 0 | 0 | 114.7 | D197 | D197-T199 PolarHBondContact O-N 3.28Å; D197-T199 WeakPolarHBondContact OD1-CB 3.13Å; D197-T199 PolarHBondContact OD1-N 2.99Å; D197-T199 PolarHBondContact OD1-OG1 3.19Å |
| 200 | K | 49.9 | Very low | 65 | Low | 138 Ų | 138 | 75.7 Ų | 75.7 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | -43.8 | -167.4 | -93.5 | -165.1 | -169.7 | 83.7 | 0 | 118.4 | D197 | D197-K200 HydrophobicContact CB-CB 4.2Å; D197-K200 PolarHBondContact O-N 3.06Å; D197-K200 WeakPolarHBondContact OD2-CG 3.29Å; D197-K200 IonicContact OD2-NZ 2.76Å; D197-K200 PolarHBondContact OD2-NZ 2.64Å |
| 201 | H | 54.3 | Low | 66.4 | Low | 73 Ų | 73 | 82.8 Ų | 82.8 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | trans | -128 | 53.5 | -169.2 | -71.2 | 8.6 | 0 | 0 | 0 | 113.1 | N161 C194 | N161-H201 PolarHBondContact ND2-O 3.45Å; N161-H201 VanDerWaalsContact ND2-O 3.13Å; C194-H201 HydrophobicContact CB-CB 4.33Å; C194-H201 WeakPolarHBondContact CB-CD2 3.39Å; C194-H201 VanDerWaalsContact SG-CD2 3.58Å | ||
| 202 | S | 71.2 | Confident | 67.9 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 65% | 0.65 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 151.4 | 173.3 | 56.6 | 0 | 0 | 0 | 0 | 113 | ||
| 203 | C | 81.3 | Confident | 69.5 | Low | 17 Ų | 17 | 81.9 Ų | 81.9 | 12% | 0.115 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 154.2 | 162 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | C207 G214 C216 | C203-C207 HydrophobicContact CB-CB 4.22Å; C203-G214 PolarHBondContact SG-O 2.86Å; C203-C216 WeakPolarHBondContact CA-SG 3.25Å; C203-C216 HydrophobicContact CB-CB 3.7Å; C203-C216 WeakPolarHBondContact CB-SG 3.15Å; C203-C216 WeakPolarHBondContact SG-CB 3.13Å; C203-C216 CovalentContact SG-SG 2.03Å; C203-C216 PolarHBondContact SG-SG 3.45Å |
| 204 | H | 89.4 | Confident | 71.1 | Confident | 84 Ų | 84 | 82.5 Ų | 82.5 | 39% | 0.389 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 145.8 | 174.9 | -169.9 | -104.1 | 0 | 0 | 0 | 111.8 | S206 C207 | H204-S206 PolarHBondContact ND1-N 2.85Å; H204-S206 PolarHBondContact ND1-OG 3.45Å; H204-S206 PolarHBondContact O-N 3Å; H204-C207 WeakPolarHBondContact O-CB 3.24Å; H204-C207 PolarHBondContact O-N 3.5Å; H204-C207 PolarHBondContact O-SG 3.18Å; H204-C207 VanDerWaalsContact O-SG 3.41Å |
| 205 | G | 86.3 | Confident | 72.7 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 86% | 0.856 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -4.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 206 | S | 90.9 | Very high | 74.5 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -6 | 171.5 | 67.1 | 0 | 0 | 0 | 0 | 114 | H204 | H204-S206 PolarHBondContact ND1-N 2.85Å; H204-S206 PolarHBondContact ND1-OG 3.45Å; H204-S206 PolarHBondContact O-N 3Å |
| 207 | C | 90.5 | Very high | 76.4 | Confident | 7 Ų | 7 | 74.6 Ų | 74.6 | 5% | 0.047 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -73.6 | 152.8 | -178.9 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | C203 H204 V209 Y215 C224 | C203-C207 HydrophobicContact CB-CB 4.22Å; H204-C207 WeakPolarHBondContact O-CB 3.24Å; H204-C207 PolarHBondContact O-N 3.5Å; H204-C207 PolarHBondContact O-SG 3.18Å; H204-C207 VanDerWaalsContact O-SG 3.41Å; C207-V209 PolarHBondContact O-N 3.34Å; C207-Y215 WeakPolarHBondContact CB-O 3.47Å; C207-C224 WeakPolarHBondContact CA-SG 3.48Å; C207-C224 HydrophobicContact CB-CB 3.64Å; C207-C224 WeakPolarHBondContact CB-SG 3.38Å; C207-C224 WeakPolarHBondContact SG-CA 3.2Å; C207-C224 WeakPolarHBondContact SG-CB 3.09Å; C207-C224 CovalentContact SG-SG 2.04Å; C207-C224 PolarHBondContact SG-SG 3.08Å |
| 208 | P | 88.5 | Confident | 78.3 | Confident | 44 Ų | 44 | 72 Ų | 72 | 29% | 0.286 | 41% | 0.414 | S | S | . | . | trans | -54.2 | 130.1 | 174.5 | -25.5 | 35 | 0 | 0 | 0 | 111.1 | G214 Y215 M227 | P208-G214 WeakPolarHBondContact O-CA 3.27Å; P208-Y215 PolarHBondContact O-N 3.46Å; P208-M227 HydrophobicContact CB-CG 3.82Å; P208-M227 HydrophobicContact CG-CG 3.72Å | ||
| 209 | V | 86 | Confident | 80 | Confident | 101 Ų | 101 | 62.8 Ų | 62.8 | 61% | 0.612 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.6 | 175 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | C207 R213 | C207-V209 PolarHBondContact O-N 3.34Å; V209-R213 CarbonylContact C-O 3.54Å; V209-R213 VanDerWaalsContact CA-O 3.28Å; V209-R213 WeakPolarHBondContact CA-O 3.39Å |
| 210 | V | 78.5 | Confident | 81.9 | Confident | 38 Ų | 38 | 62 Ų | 62 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.7 | 173.4 | -164.3 | 0 | 0 | 0 | 0 | 107.7 | G212 R213 Y215 M227 | V210-G212 PolarHBondContact O-N 2.81Å; V210-R213 PolarHBondContact N-O 2.8Å; V210-R213 WeakPolarHBondContact O-CB 3.35Å; V210-R213 PolarHBondContact O-N 2.87Å; V210-Y215 HydrophobicContact CB-CD2 4.45Å; V210-Y215 HydrophobicContact CB-CE2 3.65Å; V210-Y215 HydrophobicContact CG2-CD2 4.11Å; V210-Y215 HydrophobicContact CG2-CE2 3.75Å; V210-M227 HydrophobicContact CG2-CE 4.42Å |
| 211 | N | 76.5 | Confident | 83.8 | Confident | 165 Ų | 165 | 58.5 Ų | 58.5 | 88% | 0.882 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.9 | -179.2 | -57.1 | -17 | 0 | 0 | 0 | 113.8 | R213 | N211-R213 VanDerWaalsContact C-N 3.27Å; N211-R213 PolarHBondContact O-N 2.94Å |
| 212 | G | 74.4 | Confident | 85.6 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 77% | 0.773 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 0.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V210 | V210-G212 PolarHBondContact O-N 2.81Š|
| 213 | R | 79.3 | Confident | 86.6 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.6 | 179.4 | -172.1 | -179.4 | -172 | -177.7 | 5.8 | 109.9 | F164 V209 V210 N211 Y215 | F164-R213 VanDerWaalsContact C-NH2 3.34Å; F164-R213 PolarHBondContact O-NE 2.03Å; F164-R213 PolarHBondContact O-NH2 3.44Å; V209-R213 CarbonylContact C-O 3.54Å; V209-R213 VanDerWaalsContact CA-O 3.28Å; V209-R213 WeakPolarHBondContact CA-O 3.39Å; V210-R213 PolarHBondContact N-O 2.8Å; V210-R213 WeakPolarHBondContact O-CB 3.35Å; V210-R213 PolarHBondContact O-N 2.87Å; N211-R213 VanDerWaalsContact C-N 3.27Å; N211-R213 PolarHBondContact O-N 2.94Å; R213-Y215 HydrophobicContact CB-CE2 4.17Å; R213-Y215 HydrophobicContact CG-CE2 4.31Å; R213-Y215 VanDerWaalsContact O-CD2 3.3Å; R213-Y215 WeakPolarHBondContact O-CD2 3.37Å; R213-Y215 WeakPolarHBondContact O-CE2 3.42Å |
| 214 | G | 84.8 | Confident | 87.2 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 145.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | C203 P208 | C203-G214 PolarHBondContact SG-O 2.86Å; P208-G214 WeakPolarHBondContact O-CA 3.27Å |
| 215 | Y | 90.7 | Very high | 87.4 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | trans | -116.5 | 118.9 | -176.5 | -66.3 | -89.2 | 0 | 0 | 0 | 113 | T165 D167 C207 P208 V210 R213 Q225 | T165-Y215 CarbonylContact O-C 3.33Å; T165-Y215 WeakPolarHBondContact O-CA 3.46Å; D167-Y215 HydrophobicContact CB-CD1 3.66Å; D167-Y215 HydrophobicContact CB-CE1 3.64Å; D167-Y215 HydrophobicContact CB-CG 4.47Å; C207-Y215 WeakPolarHBondContact CB-O 3.47Å; P208-Y215 PolarHBondContact O-N 3.46Å; V210-Y215 HydrophobicContact CB-CD2 4.45Å; V210-Y215 HydrophobicContact CB-CE2 3.65Å; V210-Y215 HydrophobicContact CG2-CD2 4.11Å; V210-Y215 HydrophobicContact CG2-CE2 3.75Å; R213-Y215 HydrophobicContact CB-CE2 4.17Å; R213-Y215 HydrophobicContact CG-CE2 4.31Å; R213-Y215 VanDerWaalsContact O-CD2 3.3Å; R213-Y215 WeakPolarHBondContact O-CD2 3.37Å; R213-Y215 WeakPolarHBondContact O-CE2 3.42Å; Y215-Q225 PolarHBondContact O-N 2.8Å | ||
| 216 | C | 92 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -161.5 | 158.3 | -173.5 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | T165 C203 G218 M223 | T165-C216 WeakPolarHBondContact CB-O 3Å; T165-C216 PolarHBondContact O-N 2.85Å; T165-C216 PolarHBondContact OG1-O 3.36Å; C203-C216 WeakPolarHBondContact CA-SG 3.25Å; C203-C216 HydrophobicContact CB-CB 3.7Å; C203-C216 WeakPolarHBondContact CB-SG 3.15Å; C203-C216 WeakPolarHBondContact SG-CB 3.13Å; C203-C216 CovalentContact SG-SG 2.03Å; C203-C216 PolarHBondContact SG-SG 3.45Å; C216-G218 WeakPolarHBondContact CB-O 3.37Å; C216-G218 PolarHBondContact SG-O 3.14Å; C216-M223 WeakPolarHBondContact CA-O 3.3Å |
| 217 | W | 91.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -92.5 | 1.3 | 169.5 | -58.1 | 89.7 | 0 | 0 | 0 | 112.9 | L140 L143 F162 I166 W168 I171 M223 | L140-W217 HydrophobicContact CB-CD2 4.1Å; L140-W217 HydrophobicContact CB-CE3 3.79Å; L140-W217 HydrophobicContact CB-CH2 3.82Å; L140-W217 HydrophobicContact CB-CZ2 4.09Å; L140-W217 HydrophobicContact CB-CZ3 3.65Å; L140-W217 HydrophobicContact CD1-CH2 4.14Å; L140-W217 HydrophobicContact CD1-CZ3 3.77Å; L140-W217 HydrophobicContact CG-CE3 4.17Å; L140-W217 HydrophobicContact CG-CH2 4.42Å; L140-W217 HydrophobicContact CG-CZ3 3.91Å; L143-W217 HydrophobicContact CB-CZ2 4.33Å; L143-W217 HydrophobicContact CD2-CH2 4.19Å; F162-W217 HydrophobicContact CD2-CZ3 4.41Å; F162-W217 AromaticContact CE2-CZ3 3.97Å; F162-W217 HydrophobicContact CE2-CZ3 3.97Å; I166-W217 HydrophobicContact CD1-CD2 4.11Å; I166-W217 HydrophobicContact CD1-CE3 3.46Å; I166-W217 VanDerWaalsContact CD1-CE3 3.46Å; I166-W217 HydrophobicContact CD1-CH2 3.94Å; I166-W217 HydrophobicContact CD1-CZ3 3.36Å; I166-W217 HydrophobicContact CG1-CD2 4.38Å; I166-W217 HydrophobicContact CG1-CE3 4.21Å; I166-W217 HydrophobicContact CG1-CZ3 4.32Å; I166-W217 HydrophobicContact CG2-CH2 4.33Å; I166-W217 HydrophobicContact CG2-CZ2 4.41Å; W168-W217 HydrophobicContact CH2-CH2 4.11Å; W168-W217 HydrophobicContact CH2-CZ3 4.14Å; W168-W217 HydrophobicContact CZ3-CH2 4.03Å; I171-W217 HydrophobicContact CD1-CH2 3.9Å; I171-W217 HydrophobicContact CD1-CZ2 3.67Å; W217-M223 PolarHBondContact N-O 2.92Å |
| 218 | G | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 170.6 | 172.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.6 | C216 K220 | C216-G218 WeakPolarHBondContact CB-O 3.37Å; C216-G218 PolarHBondContact SG-O 3.14Å; G218-K220 VanDerWaalsContact C-N 3.26Å; G218-K220 PolarHBondContact O-N 3.22Å; G218-K220 VanDerWaalsContact O-N 3.14Å |
| 219 | P | 85.7 | Confident | 87.7 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -77.2 | 0.5 | -166.2 | 30.7 | -37.3 | 0 | 0 | 0 | 115.4 | I137 | I137-P219 HydrophobicContact CD1-CG 4.46Š|
| 220 | K | 89.9 | Confident | 87.9 | Confident | 104 Ų | 104 | 43.7 Ų | 43.7 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -100.5 | 152.1 | -171.5 | -55.3 | -168.3 | -176.9 | -178.9 | 0 | 113.2 | G218 E222 M223 | G218-K220 VanDerWaalsContact C-N 3.26Å; G218-K220 PolarHBondContact O-N 3.22Å; G218-K220 VanDerWaalsContact O-N 3.14Å; K220-E222 WeakPolarHBondContact CB-OE2 3.45Å; K220-E222 WeakPolarHBondContact CD-OE1 3.18Å; K220-E222 IonicContact NZ-OE1 3.53Å; K220-E222 PolarHBondContact O-N 3.29Å; K220-M223 HydrophobicContact CB-CB 4.41Å; K220-M223 HydrophobicContact CB-CG 4.13Å; K220-M223 HydrophobicContact CB-SD 3.88Å; K220-M223 HydrophobicContact CD-CE 4.28Å; K220-M223 HydrophobicContact CD-SD 4.07Å; K220-M223 HydrophobicContact CG-SD 3.83Å; K220-M223 PolarHBondContact O-N 3.28Å |
| 221 | P | 90.7 | Very high | 88.1 | Confident | 66 Ų | 66 | 45 Ų | 45 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -56.9 | -33.8 | 177.1 | 19.1 | -30 | 0 | 0 | 0 | 113.5 | M223 C224 | P221-M223 PolarHBondContact O-N 3.46Å; P221-C224 PolarHBondContact O-SG 2.96Å |
| 222 | E | 91.8 | Very high | 88.4 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -80.3 | -0 | 178.7 | 73.5 | -84.5 | -163.7 | 0 | 0 | 114.4 | R141 K220 | R141-E222 WeakPolarHBondContact CD-O 2.86Å; R141-E222 PolarHBondContact NE-O 3.16Å; R141-E222 PolarHBondContact NH1-O 2.92Å; K220-E222 WeakPolarHBondContact CB-OE2 3.45Å; K220-E222 WeakPolarHBondContact CD-OE1 3.18Å; K220-E222 IonicContact NZ-OE1 3.53Å; K220-E222 PolarHBondContact O-N 3.29Å |
| 223 | M | 91.9 | Very high | 88.9 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -108.6 | 6.4 | 178.9 | -68.3 | 172.3 | 163 | 0 | 0 | 113.4 | I137 D139 C216 W217 K220 P221 | I137-M223 HydrophobicContact CG2-CE 4.26Å; D139-M223 HydrophobicContact CB-CE 4.13Å; C216-M223 WeakPolarHBondContact CA-O 3.3Å; W217-M223 PolarHBondContact N-O 2.92Å; K220-M223 HydrophobicContact CB-CB 4.41Å; K220-M223 HydrophobicContact CB-CG 4.13Å; K220-M223 HydrophobicContact CB-SD 3.88Å; K220-M223 HydrophobicContact CD-CE 4.28Å; K220-M223 HydrophobicContact CD-SD 4.07Å; K220-M223 HydrophobicContact CG-SD 3.83Å; K220-M223 PolarHBondContact O-N 3.28Å; P221-M223 PolarHBondContact O-N 3.46Å |
| 224 | C | 93.2 | Very high | 88.8 | Confident | 22 Ų | 22 | 41.6 Ų | 41.6 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -62.9 | 146.3 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | C207 P221 | C207-C224 WeakPolarHBondContact CA-SG 3.48Å; C207-C224 HydrophobicContact CB-CB 3.64Å; C207-C224 WeakPolarHBondContact CB-SG 3.38Å; C207-C224 WeakPolarHBondContact SG-CA 3.2Å; C207-C224 WeakPolarHBondContact SG-CB 3.09Å; C207-C224 CovalentContact SG-SG 2.04Å; C207-C224 PolarHBondContact SG-SG 3.08Å; P221-C224 PolarHBondContact O-SG 2.96Å |
| 225 | Q | 93.8 | Very high | 88.8 | Confident | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | trans | -72.4 | 138.2 | -179.7 | -170.8 | -179.5 | -3 | 0 | 0 | 111.8 | D167 Y215 M227 | D167-Q225 PolarHBondContact O-NE2 3.23Å; Y215-Q225 PolarHBondContact O-N 2.8Å; Q225-M227 HydrophobicContact CB-SD 4.18Å; Q225-M227 HydrophobicContact CG-SD 4.01Å; Q225-M227 PolarHBondContact O-N 3.31Å | ||
| 226 | K | 91.4 | Very high | 88.6 | Confident | 81 Ų | 81 | 46.5 Ų | 46.5 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | trans | -83.3 | 109.9 | 176.5 | -66.2 | 176.4 | -178.1 | 177.4 | 0 | 110.6 | R141 S142 T144 L228 | R141-K226 WeakPolarHBondContact O-CD 3.46Å; R141-K226 VanDerWaalsContact O-CE 3.31Å; R141-K226 WeakPolarHBondContact O-CE 2.81Å; S142-K226 PolarHBondContact OG-NZ 3.21Å; T144-K226 HydrophobicContact CG2-CB 3.68Å; T144-K226 HydrophobicContact CG2-CD 4.44Å; K226-L228 HydrophobicContact CB-CG 4.29Å; K226-L228 PolarHBondContact O-N 3.5Å | ||
| 227 | M | 90.1 | Very high | 88.6 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | trans | -93 | 77.3 | -173.7 | -50.2 | -61.8 | -83.5 | 0 | 0 | 111.5 | D167 Q170 P208 V210 Q225 G241 R242 | D167-M227 HydrophobicContact CB-CE 3.99Å; D167-M227 WeakPolarHBondContact OD2-CE 3.28Å; Q170-M227 HydrophobicContact CG-CE 3.72Å; Q170-M227 HydrophobicContact CG-SD 4.02Å; P208-M227 HydrophobicContact CB-CG 3.82Å; P208-M227 HydrophobicContact CG-CG 3.72Å; V210-M227 HydrophobicContact CG2-CE 4.42Å; Q225-M227 HydrophobicContact CB-SD 4.18Å; Q225-M227 HydrophobicContact CG-SD 4.01Å; Q225-M227 PolarHBondContact O-N 3.31Å; M227-G241 VanDerWaalsContact O-CA 3.31Å; M227-G241 WeakPolarHBondContact O-CA 3.06Å; M227-R242 HydrophobicContact CB-CG 4.37Å; M227-R242 PolarHBondContact O-N 2.95Å | ||
| 228 | L | 91.4 | Very high | 88.6 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.12 | 26% | 0.262 | C | S | . | . | trans | -94.3 | -11.4 | -167.1 | -63 | -176.2 | 0 | 0 | 0 | 116.3 | T144 K226 Y237 C238 G254 | T144-L228 HydrophobicContact CG2-CD1 3.85Å; T144-L228 HydrophobicContact CG2-CG 4.3Å; K226-L228 HydrophobicContact CB-CG 4.29Å; K226-L228 PolarHBondContact O-N 3.5Å; L228-Y237 HydrophobicContact CB-CD1 4.22Å; L228-Y237 WeakPolarHBondContact O-CA 3.1Å; L228-C238 PolarHBondContact O-N 3.49Å; L228-G254 VanDerWaalsContact CD1-O 3.23Å; L228-G254 WeakPolarHBondContact CD1-O 3.46Å | ||
| 229 | K | 90.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 144.9 | 172.1 | -84.3 | 167.2 | 158.2 | -162.4 | 0 | 111.1 | E169 F172 N175 P234 N236 Y237 R242 | E169-K229 VanDerWaalsContact O-CD 3.29Å; E169-K229 WeakPolarHBondContact O-CD 3.01Å; E169-K229 PolarHBondContact O-NZ 3.21Å; F172-K229 WeakPolarHBondContact O-CE 3.44Å; F172-K229 PolarHBondContact O-NZ 3.45Å; N175-K229 PolarHBondContact OD1-NZ 3.32Å; K229-P234 WeakPolarHBondContact CD-O 3.16Å; K229-P234 WeakPolarHBondContact CE-O 3.44Å; K229-P234 WeakPolarHBondContact CG-O 3.22Å; K229-P234 PolarHBondContact NZ-O 2.97Å; K229-N236 CarbonylContact C-O 3.6Å; K229-N236 WeakPolarHBondContact CA-O 3.21Å; K229-Y237 HydrophobicContact CG-CD1 3.9Å; K229-Y237 HydrophobicContact CG-CE1 3.88Å; K229-R242 WeakPolarHBondContact O-CG 3.1Å |
| 230 | C | 88.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 10% | 0.095 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 139 | -176.1 | -62.4 | 0 | 0 | 0 | 0 | 111.5 | N232 N233 N236 Y237 C238 | C230-N232 VanDerWaalsContact C-N 3.25Å; C230-N232 PolarHBondContact O-N 3.31Å; C230-N233 WeakPolarHBondContact CB-O 3.08Å; C230-N233 CarbonylContact O-C 3.58Å; C230-N233 PolarHBondContact O-N 3.38Å; C230-N236 PolarHBondContact N-O 3.12Å; C230-Y237 PolarHBondContact SG-O 2.98Å; C230-C238 HydrophobicContact CB-CB 4.02Å; C230-C238 WeakPolarHBondContact CB-SG 3.45Å; C230-C238 VanDerWaalsContact SG-CA 3.55Å; C230-C238 WeakPolarHBondContact SG-CB 3.47Å; C230-C238 PolarHBondContact SG-N 3.45Å; C230-C238 VanDerWaalsContact SG-N 3.4Å; C230-C238 CovalentContact SG-SG 2.04Å; C230-C238 PolarHBondContact SG-SG 2.95Å |
| 231 | A | 83.4 | Confident | 88.2 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -30.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R242 | A231-R242 HydrophobicContact CB-CB 4.3Å; A231-R242 HydrophobicContact CB-CG 4.4Å |
| 232 | N | 83.1 | Confident | 87.7 | Confident | 147 Ų | 147 | 44.8 Ų | 44.8 | 79% | 0.786 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -12.4 | -178.6 | -62.2 | -5.9 | 0 | 0 | 0 | 113.7 | C230 | C230-N232 VanDerWaalsContact C-N 3.25Å; C230-N232 PolarHBondContact O-N 3.31Å |
| 233 | N | 84.7 | Confident | 86.9 | Confident | 65 Ų | 65 | 45.4 Ų | 45.4 | 35% | 0.348 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 96.1 | 179.2 | -180 | 7 | 0 | 0 | 0 | 109.6 | C230 D235 N236 | C230-N233 WeakPolarHBondContact CB-O 3.08Å; C230-N233 CarbonylContact O-C 3.58Å; C230-N233 PolarHBondContact O-N 3.38Å; N233-D235 PolarHBondContact O-N 2.85Å; N233-D235 PolarHBondContact OD1-N 3.48Å; N233-N236 VanDerWaalsContact ND2-CG 3.29Å; N233-N236 PolarHBondContact ND2-ND2 3.37Å; N233-N236 PolarHBondContact ND2-OD1 3.04Å; N233-N236 PolarHBondContact O-N 3.01Å; N233-N236 VanDerWaalsContact O-N 3.16Å |
| 234 | P | 78.4 | Confident | 86.3 | Confident | 64 Ų | 64 | 47.5 Ų | 47.5 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | -6.8 | -176.2 | 30.7 | -35.9 | 0 | 0 | 0 | 114.3 | K229 N236 | K229-P234 WeakPolarHBondContact CD-O 3.16Å; K229-P234 WeakPolarHBondContact CE-O 3.44Å; K229-P234 WeakPolarHBondContact CG-O 3.22Å; K229-P234 PolarHBondContact NZ-O 2.97Å; P234-N236 VanDerWaalsContact C-N 3.33Å |
| 235 | D | 82.9 | Confident | 85.5 | Confident | 72 Ų | 72 | 52.4 Ų | 52.4 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -19.6 | 171.9 | -72.4 | 3 | 0 | 0 | 0 | 111.4 | R176 N233 | R176-D235 IonicContact CZ-OD2 3.41Å; R176-D235 IonicContact NH1-OD2 2.65Å; R176-D235 PolarHBondContact NH1-OD2 3.13Å; R176-D235 IonicContact NH2-OD2 3.92Å; R176-D235 PolarHBondContact NH2-OD2 2.62Å; N233-D235 PolarHBondContact O-N 2.85Å; N233-D235 PolarHBondContact OD1-N 3.48Å |
| 236 | N | 87.5 | Confident | 85.3 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 39% | 0.39 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 151.3 | -176.9 | -71.9 | 16.4 | 0 | 0 | 0 | 113 | K229 C230 N233 P234 | K229-N236 CarbonylContact C-O 3.6Å; K229-N236 WeakPolarHBondContact CA-O 3.21Å; C230-N236 PolarHBondContact N-O 3.12Å; N233-N236 VanDerWaalsContact ND2-CG 3.29Å; N233-N236 PolarHBondContact ND2-ND2 3.37Å; N233-N236 PolarHBondContact ND2-OD1 3.04Å; N233-N236 PolarHBondContact O-N 3.01Å; N233-N236 VanDerWaalsContact O-N 3.16Å; P234-N236 VanDerWaalsContact C-N 3.33Å |
| 237 | Y | 91.5 | Very high | 85.3 | Confident | 21 Ų | 21 | 56 Ų | 56 | 8% | 0.082 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 146.4 | 170.4 | -57.9 | -82.2 | 0 | 0 | 0 | 112.7 | T144 L228 K229 C230 P247 C248 | T144-Y237 PolarHBondContact O-OH 2.79Å; L228-Y237 HydrophobicContact CB-CD1 4.22Å; L228-Y237 WeakPolarHBondContact O-CA 3.1Å; K229-Y237 HydrophobicContact CG-CD1 3.9Å; K229-Y237 HydrophobicContact CG-CE1 3.88Å; C230-Y237 PolarHBondContact SG-O 2.98Å; Y237-P247 WeakPolarHBondContact O-CA 3.32Å; Y237-C248 PolarHBondContact O-N 3.11Å |
| 238 | C | 91.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -117.3 | 152.3 | 178.2 | -89 | 0 | 0 | 0 | 0 | 112.2 | L228 C230 G240 G241 T244 Q246 | L228-C238 PolarHBondContact O-N 3.49Å; C230-C238 HydrophobicContact CB-CB 4.02Å; C230-C238 WeakPolarHBondContact CB-SG 3.45Å; C230-C238 VanDerWaalsContact SG-CA 3.55Å; C230-C238 WeakPolarHBondContact SG-CB 3.47Å; C230-C238 PolarHBondContact SG-N 3.45Å; C230-C238 VanDerWaalsContact SG-N 3.4Å; C230-C238 CovalentContact SG-SG 2.04Å; C230-C238 PolarHBondContact SG-SG 2.95Å; C238-G240 PolarHBondContact O-N 2.96Å; C238-G240 VanDerWaalsContact O-N 3.11Å; C238-G241 PolarHBondContact O-N 3.31Å; C238-T244 PolarHBondContact SG-O 3.12Å; C238-Q246 WeakPolarHBondContact CA-O 3.35Å |
| 239 | L | 90.2 | Very high | 85.4 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 108.2 | -178 | -174.8 | 66.6 | 0 | 0 | 0 | 111 | G241 T244 Q246 C256 E257 | L239-G241 PolarHBondContact O-N 3.03Å; L239-T244 PolarHBondContact N-OG1 2.93Å; L239-T244 WeakPolarHBondContact O-CB 3.29Å; L239-T244 WeakPolarHBondContact O-CG2 3.38Å; L239-T244 PolarHBondContact O-OG1 3.25Å; L239-Q246 HydrophobicContact CB-CB 4.38Å; L239-Q246 PolarHBondContact N-O 3.38Å; L239-C256 HydrophobicContact CD1-CB 4.38Å; L239-E257 VanDerWaalsContact CD1-O 3.28Å; L239-E257 WeakPolarHBondContact CD1-O 3.47Å |
| 240 | G | 82.8 | Confident | 85.4 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 58% | 0.577 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 10.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C238 C256 | C238-G240 PolarHBondContact O-N 2.96Å; C238-G240 VanDerWaalsContact O-N 3.11Å; G240-C256 PolarHBondContact N-O 2.91Å |
| 241 | G | 83.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 86.7 | -157.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | M227 C238 L239 A243 T244 | M227-G241 VanDerWaalsContact O-CA 3.31Å; M227-G241 WeakPolarHBondContact O-CA 3.06Å; C238-G241 PolarHBondContact O-N 3.31Å; L239-G241 PolarHBondContact O-N 3.03Å; G241-A243 PolarHBondContact O-N 2.93Å; G241-T244 PolarHBondContact O-N 2.83Å; G241-T244 PolarHBondContact O-OG1 2.98Å |
| 242 | R | 78.7 | Confident | 86.1 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 33% | 0.328 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -17.5 | -165.9 | -72.2 | -173.8 | -176.2 | -174.1 | 3.3 | 116.8 | D167 M227 K229 A231 | D167-R242 IonicContact OD2-NH2 3.72Å; D167-R242 PolarHBondContact OD2-NH2 2.85Å; D167-R242 VanDerWaalsContact OD2-NH2 3.09Å; M227-R242 HydrophobicContact CB-CG 4.37Å; M227-R242 PolarHBondContact O-N 2.95Å; K229-R242 WeakPolarHBondContact O-CG 3.1Å; A231-R242 HydrophobicContact CB-CB 4.3Å; A231-R242 HydrophobicContact CB-CG 4.4Å |
| 243 | A | 75.2 | Confident | 86.5 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 83% | 0.826 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -11.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G241 | G241-A243 PolarHBondContact O-N 2.93Š|
| 244 | T | 80 | Confident | 86.8 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | trans | -115.4 | 157.4 | 178.1 | 73.9 | 0 | 0 | 0 | 0 | 112.1 | C238 L239 G241 | C238-T244 PolarHBondContact SG-O 3.12Å; L239-T244 PolarHBondContact N-OG1 2.93Å; L239-T244 WeakPolarHBondContact O-CB 3.29Å; L239-T244 WeakPolarHBondContact O-CG2 3.38Å; L239-T244 PolarHBondContact O-OG1 3.25Å; G241-T244 PolarHBondContact O-N 2.83Å; G241-T244 PolarHBondContact O-OG1 2.98Å | ||
| 245 | T | 77.4 | Confident | 87.4 | Confident | 125 Ų | 125 | 53.3 Ų | 53.3 | 77% | 0.767 | 31% | 0.305 | S | S | * | . | trans | -102 | 3.7 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | P247 | T245-P247 WeakPolarHBondContact O-CD 3.22Š| ||
| 246 | Q | 88.8 | Confident | 87.9 | Confident | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | trans | -92.4 | 113.8 | -177.3 | -171.4 | 172.3 | 22.8 | 0 | 0 | 109.6 | C238 L239 P260 | C238-Q246 WeakPolarHBondContact CA-O 3.35Å; L239-Q246 HydrophobicContact CB-CB 4.38Å; L239-Q246 PolarHBondContact N-O 3.38Å; Q246-P260 HydrophobicContact CG-CG 3.96Å | ||
| 247 | P | 90.2 | Very high | 87.8 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 41% | 0.409 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 158.3 | 179.4 | 31.1 | -35.8 | 0 | 0 | 0 | 111.5 | Y237 T245 P260 | Y237-P247 WeakPolarHBondContact O-CA 3.32Å; T245-P247 WeakPolarHBondContact O-CD 3.22Å; P247-P260 WeakPolarHBondContact O-CB 3.44Å |
| 248 | C | 92.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 56 Ų | 56 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 167.8 | 163.8 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | Y237 C252 C256 P260 | Y237-C248 PolarHBondContact O-N 3.11Å; C248-C252 HydrophobicContact CB-CB 3.92Å; C248-C256 WeakPolarHBondContact CA-SG 3.29Å; C248-C256 HydrophobicContact CB-CB 3.76Å; C248-C256 WeakPolarHBondContact CB-SG 3.28Å; C248-C256 WeakPolarHBondContact SG-CB 3.36Å; C248-C256 PolarHBondContact SG-N 3.11Å; C248-C256 CovalentContact SG-SG 2.04Å; C248-C256 PolarHBondContact SG-SG 2.76Å; C248-P260 WeakPolarHBondContact CA-O 3.18Å |
| 249 | L | 92.9 | Very high | 87.5 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 152.7 | 167.7 | -62.5 | -176.9 | 0 | 0 | 0 | 110.7 | E251 C252 P260 G261 | L249-E251 PolarHBondContact O-N 3.19Å; L249-C252 VanDerWaalsContact O-CB 3.24Å; L249-C252 WeakPolarHBondContact O-CB 3.44Å; L249-C252 PolarHBondContact O-N 2.8Å; L249-P260 HydrophobicContact CD2-CB 4.48Å; L249-P260 HydrophobicContact CG-CB 4.43Å; L249-P260 PolarHBondContact N-O 2.81Å; L249-G261 VanDerWaalsContact CD1-CA 3.49Å |
| 250 | E | 90.6 | Very high | 87.4 | Confident | 173 Ų | 173 | 65 Ų | 65 | 81% | 0.808 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23 | -177.4 | -60.3 | -177.4 | 166.9 | 0 | 0 | 113.2 | C252 K267 | E250-C252 VanDerWaalsContact C-N 3.27Å; E250-C252 PolarHBondContact O-N 3.17Å; E250-K267 WeakPolarHBondContact O-CD 3.48Å |
| 251 | E | 92.4 | Very high | 87.6 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.7 | 172.6 | -57.4 | -58 | 157.8 | 0 | 0 | 113.9 | L249 K267 H268 C275 S277 | L249-E251 PolarHBondContact O-N 3.19Å; E251-K267 WeakPolarHBondContact O-CB 3.18Å; E251-K267 PolarHBondContact O-N 2.82Å; E251-H268 IonicContact OE1-ND1 3.84Å; E251-H268 IonicContact OE2-CE1 3.94Å; E251-H268 IonicContact OE2-CG 3.16Å; E251-H268 IonicContact OE2-ND1 3.58Å; E251-H268 PolarHBondContact OE2-ND1 3.43Å; E251-C275 HydrophobicContact CB-CB 3.7Å; E251-C275 WeakPolarHBondContact O-CB 3.29Å; E251-S277 WeakPolarHBondContact OE1-CB 3.35Å; E251-S277 WeakPolarHBondContact OE2-CA 3.44Å; E251-S277 PolarHBondContact OE2-N 2.82Å |
| 252 | C | 93.4 | Very high | 87.9 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 4% | 0.041 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.8 | 178.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | C248 L249 E250 P260 C263 | C248-C252 HydrophobicContact CB-CB 3.92Å; L249-C252 VanDerWaalsContact O-CB 3.24Å; L249-C252 WeakPolarHBondContact O-CB 3.44Å; L249-C252 PolarHBondContact O-N 2.8Å; E250-C252 VanDerWaalsContact C-N 3.27Å; E250-C252 PolarHBondContact O-N 3.17Å; C252-P260 PolarHBondContact SG-O 2.97Å; C252-C263 WeakPolarHBondContact CA-SG 3.45Å; C252-C263 HydrophobicContact CB-CB 3.52Å; C252-C263 WeakPolarHBondContact CB-SG 3.39Å; C252-C263 WeakPolarHBondContact SG-CA 3.32Å; C252-C263 WeakPolarHBondContact SG-CB 3.37Å; C252-C263 CovalentContact SG-SG 2.03Å; C252-C263 PolarHBondContact SG-SG 2.99Å |
| 253 | L | 92.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.2 | 172.4 | -171.8 | 58.1 | 0 | 0 | 0 | 110.3 | V112 A145 Q147 G255 A265 K267 | V112-L253 HydrophobicContact CG1-CD2 3.67Å; V112-L253 HydrophobicContact CG1-CG 4.43Å; V112-L253 HydrophobicContact CG2-CD2 4.27Å; V112-L253 HydrophobicContact CG2-CG 4.26Å; A145-L253 HydrophobicContact CB-CD1 3.61Å; A145-L253 HydrophobicContact CB-CD2 4.39Å; A145-L253 HydrophobicContact CB-CG 3.63Å; Q147-L253 HydrophobicContact CB-CD2 4.33Å; Q147-L253 HydrophobicContact CG-CD2 4.06Å; L253-G255 VanDerWaalsContact C-N 3.27Å; L253-G255 PolarHBondContact O-N 3.4Å; L253-A265 HydrophobicContact CB-CB 4.46Å; L253-A265 PolarHBondContact N-O 2.9Å; L253-A265 PolarHBondContact O-N 3.06Å; L253-K267 HydrophobicContact CB-CB 4.23Å |
| 254 | G | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.7 | 16 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T144 L228 | T144-G254 WeakPolarHBondContact O-CA 3.37Å; T144-G254 PolarHBondContact OG1-O 3.49Å; L228-G254 VanDerWaalsContact CD1-O 3.23Å; L228-G254 WeakPolarHBondContact CD1-O 3.46Å |
| 255 | G | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 106.4 | -174.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L253 R264 | L253-G255 VanDerWaalsContact C-N 3.27Å; L253-G255 PolarHBondContact O-N 3.4Å; G255-R264 WeakPolarHBondContact O-CB 3.3Å; G255-R264 PolarHBondContact O-N 2.72Å |
| 256 | C | 92.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 151.1 | -179.3 | 60 | 0 | 0 | 0 | 0 | 110.7 | L239 G240 C248 N262 | L239-C256 HydrophobicContact CD1-CB 4.38Å; G240-C256 PolarHBondContact N-O 2.91Å; C248-C256 WeakPolarHBondContact CA-SG 3.29Å; C248-C256 HydrophobicContact CB-CB 3.76Å; C248-C256 WeakPolarHBondContact CB-SG 3.28Å; C248-C256 WeakPolarHBondContact SG-CB 3.36Å; C248-C256 PolarHBondContact SG-N 3.11Å; C248-C256 CovalentContact SG-SG 2.04Å; C248-C256 PolarHBondContact SG-SG 2.76Å; C256-N262 WeakPolarHBondContact CA-O 3.24Å; C256-N262 VanDerWaalsContact CB-O 3.25Å; C256-N262 WeakPolarHBondContact CB-O 3.11Å |
| 257 | E | 86 | Confident | 90.8 | Very high | 119 Ų | 119 | 51.6 Ų | 51.6 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -107.8 | -65.6 | -164.4 | -62 | -172 | 169.2 | 0 | 0 | 114.3 | L239 N262 R264 | L239-E257 VanDerWaalsContact CD1-O 3.28Å; L239-E257 WeakPolarHBondContact CD1-O 3.47Å; E257-N262 PolarHBondContact N-O 2.89Å; E257-N262 VanDerWaalsContact N-O 3.14Å; E257-R264 IonicContact OE1-NE 3.4Å |
| 258 | T | 87.1 | Confident | 90.9 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -105.5 | -19.2 | -172.3 | 63.1 | 0 | 0 | 0 | 0 | 114.8 | N262 | T258-N262 PolarHBondContact OG1-ND2 2.69Š|
| 259 | R | 90.1 | Very high | 90.9 | Very high | 187 Ų | 187 | 52.1 Ų | 52.1 | 71% | 0.706 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -150.8 | 156.1 | 176.6 | -62.3 | -176 | -178.3 | 167.4 | 1.2 | 108.4 | G261 N262 | R259-G261 PolarHBondContact O-N 3.44Å; R259-G261 VanDerWaalsContact O-N 3.08Å; R259-N262 HydrophobicContact CB-CB 4.37Å; R259-N262 PolarHBondContact O-N 3.17Å |
| 260 | P | 87.3 | Confident | 90.8 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -35 | 178.1 | -33 | 38.4 | 0 | 0 | 0 | 115.5 | Q246 P247 C248 L249 C252 | Q246-P260 HydrophobicContact CG-CG 3.96Å; P247-P260 WeakPolarHBondContact O-CB 3.44Å; C248-P260 WeakPolarHBondContact CA-O 3.18Å; L249-P260 HydrophobicContact CD2-CB 4.48Å; L249-P260 HydrophobicContact CG-CB 4.43Å; L249-P260 PolarHBondContact N-O 2.81Å; C252-P260 PolarHBondContact SG-O 2.97Å |
| 261 | G | 86.5 | Confident | 90.9 | Very high | 41 Ų | 41 | 41.7 Ų | 41.7 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 4.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L249 R259 C263 | L249-G261 VanDerWaalsContact CD1-CA 3.49Å; R259-G261 PolarHBondContact O-N 3.44Å; R259-G261 VanDerWaalsContact O-N 3.08Å; G261-C263 PolarHBondContact O-N 3.17Å; G261-C263 VanDerWaalsContact O-N 3.12Å |
| 262 | N | 91 | Very high | 90.7 | Very high | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -84.6 | 72.5 | 166 | -175.7 | 19.3 | 0 | 0 | 0 | 108 | C256 E257 T258 R259 | C256-N262 WeakPolarHBondContact CA-O 3.24Å; C256-N262 VanDerWaalsContact CB-O 3.25Å; C256-N262 WeakPolarHBondContact CB-O 3.11Å; E257-N262 PolarHBondContact N-O 2.89Å; E257-N262 VanDerWaalsContact N-O 3.14Å; T258-N262 PolarHBondContact OG1-ND2 2.69Å; R259-N262 HydrophobicContact CB-CB 4.37Å; R259-N262 PolarHBondContact O-N 3.17Å |
| 263 | C | 92.5 | Very high | 90.3 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 145.3 | -175.8 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | C252 G261 A265 C275 | C252-C263 WeakPolarHBondContact CA-SG 3.45Å; C252-C263 HydrophobicContact CB-CB 3.52Å; C252-C263 WeakPolarHBondContact CB-SG 3.39Å; C252-C263 WeakPolarHBondContact SG-CA 3.32Å; C252-C263 WeakPolarHBondContact SG-CB 3.37Å; C252-C263 CovalentContact SG-SG 2.03Å; C252-C263 PolarHBondContact SG-SG 2.99Å; G261-C263 PolarHBondContact O-N 3.17Å; G261-C263 VanDerWaalsContact O-N 3.12Å; C263-A265 WeakPolarHBondContact CB-O 3.35Å; C263-C275 WeakPolarHBondContact CB-SG 3.15Å |
| 264 | R | 91.5 | Very high | 90.2 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -31.2 | 178.1 | -166.5 | 154.1 | -173 | -109.4 | -20.3 | 112.9 | K111 S142 T144 G255 E257 | K111-R264 HydrophobicContact CD-CG 4.08Å; K111-R264 VanDerWaalsContact CD-O 3.27Å; K111-R264 WeakPolarHBondContact CD-O 3.42Å; S142-R264 VanDerWaalsContact CB-NH2 3.26Å; S142-R264 VanDerWaalsContact O-CZ 3.23Å; S142-R264 PolarHBondContact O-NH1 3.3Å; S142-R264 PolarHBondContact O-NH2 3.29Å; S142-R264 PolarHBondContact OG-NH2 2.97Å; T144-R264 VanDerWaalsContact CG2-NH1 3.3Å; T144-R264 PolarHBondContact OG1-NH1 2.84Å; G255-R264 WeakPolarHBondContact O-CB 3.3Å; G255-R264 PolarHBondContact O-N 2.72Å; E257-R264 IonicContact OE1-NE 3.4Å |
| 265 | A | 91.8 | Very high | 90.3 | Very high | 15 Ų | 15 | 54.6 Ų | 54.6 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 167 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | V112 L253 C263 | V112-A265 HydrophobicContact CB-CB 4.46Å; V112-A265 HydrophobicContact CG2-CB 3.38Å; L253-A265 HydrophobicContact CB-CB 4.46Å; L253-A265 PolarHBondContact N-O 2.9Å; L253-A265 PolarHBondContact O-N 3.06Å; C263-A265 WeakPolarHBondContact CB-O 3.35Å |
| 266 | C | 93.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 8% | 0.081 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.8 | 179.7 | -59.9 | 0 | 0 | 0 | 0 | 112 | R114 M270 C275 | R114-C266 PolarHBondContact NH1-O 3.47Å; R114-C266 VanDerWaalsContact NH1-O 3.07Å; R114-C266 PolarHBondContact NH2-O 3.47Å; C266-M270 HydrophobicContact CB-CB 4.43Å; C266-C275 WeakPolarHBondContact CA-SG 3.28Å; C266-C275 HydrophobicContact CB-CB 3.57Å; C266-C275 WeakPolarHBondContact CB-SG 3.46Å; C266-C275 WeakPolarHBondContact SG-CA 3.34Å; C266-C275 WeakPolarHBondContact SG-CB 3.16Å; C266-C275 CovalentContact SG-SG 2.04Å; C266-C275 PolarHBondContact SG-SG 2.67Å |
| 267 | K | 92.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 59.8 Ų | 59.8 | 27% | 0.265 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -65.5 | -44.3 | -178.8 | -178.5 | 172.2 | 170.6 | 145.8 | 0 | 112.8 | R114 Q147 E173 E250 E251 L253 | R114-K267 PolarHBondContact NH1-O 2.97Å; Q147-K267 PolarHBondContact NE2-O 2.71Å; E173-K267 WeakPolarHBondContact OE1-CE 3Å; E173-K267 IonicContact OE1-NZ 3.16Å; E173-K267 PolarHBondContact OE1-NZ 2.81Å; E250-K267 WeakPolarHBondContact O-CD 3.48Å; E251-K267 WeakPolarHBondContact O-CB 3.18Å; E251-K267 PolarHBondContact O-N 2.82Å; L253-K267 HydrophobicContact CB-CB 4.23Å |
| 268 | H | 92 | Very high | 90.6 | Very high | 87 Ų | 87 | 60 Ų | 60 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -111.8 | -72.6 | -179.6 | -49.7 | 107.3 | 0 | 0 | 0 | 111.4 | E251 S277 | E251-H268 IonicContact OE1-ND1 3.84Å; E251-H268 IonicContact OE2-CE1 3.94Å; E251-H268 IonicContact OE2-CG 3.16Å; E251-H268 IonicContact OE2-ND1 3.58Å; E251-H268 PolarHBondContact OE2-ND1 3.43Å; H268-S277 VanDerWaalsContact CB-O 3.27Å; H268-S277 WeakPolarHBondContact CB-O 3.36Å |
| 269 | A | 91 | Very high | 90.9 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | C275 V276 D304 | A269-C275 WeakPolarHBondContact O-CA 3.06Å; A269-V276 HydrophobicContact CB-CG2 4.17Å; A269-V276 PolarHBondContact N-O 2.04Å; A269-V276 PolarHBondContact O-N 3.42Å; A269-D304 CarbonylContact C-O 2.91Å; A269-D304 VanDerWaalsContact CA-O 3.24Å; A269-D304 WeakPolarHBondContact CA-O 3.42Å |
| 270 | M | 91.4 | Very high | 91 | Very high | 27 Ų | 27 | 47.7 Ų | 47.7 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.6 | 171.7 | 177.2 | 166.4 | 44.6 | 0 | 0 | 110.8 | I29 C266 K274 D304 I305 C306 | I29-M270 HydrophobicContact CD1-CE 3.41Å; I29-M270 VanDerWaalsContact CD1-CE 3.41Å; C266-M270 HydrophobicContact CB-CB 4.43Å; M270-K274 WeakPolarHBondContact CA-O 3.5Å; M270-D304 PolarHBondContact N-O 2.86Å; M270-I305 HydrophobicContact CE-CG1 4.21Å; M270-C306 PolarHBondContact O-N 2.91Å; M270-C306 PolarHBondContact O-SG 2.86Å |
| 271 | N | 92.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.1 | 174 | -169.9 | 26.3 | 0 | 0 | 0 | 110 | G273 K274 V276 K299 C306 | N271-G273 PolarHBondContact O-N 2.71Å; N271-K274 PolarHBondContact N-O 3.42Å; N271-K274 PolarHBondContact O-N 3.09Å; N271-V276 HydrophobicContact CB-CG1 4.36Å; N271-V276 HydrophobicContact CB-CG2 3.85Å; N271-K299 WeakPolarHBondContact OD1-CD 3.43Å; N271-K299 WeakPolarHBondContact OD1-CE 3.34Å; N271-K299 PolarHBondContact OD1-NZ 3.09Å; N271-C306 HydrophobicContact CB-CB 4Å |
| 272 | D | 88.6 | Confident | 91.3 | Very high | 93 Ų | 93 | 49.2 Ų | 49.2 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 41.4 | 178.9 | -58 | -47 | 0 | 0 | 0 | 113.5 | Y26 K274 K299 | Y26-D272 PolarHBondContact OH-N 2.89Å; Y26-D272 VanDerWaalsContact OH-N 3.07Å; D272-K274 VanDerWaalsContact C-N 3.3Å; D272-K274 PolarHBondContact O-N 2.79Å; D272-K299 IonicContact OD1-NZ 3.96Å; D272-K299 PolarHBondContact OD1-NZ 3.35Å; D272-K299 IonicContact OD2-NZ 2.59Å; D272-K299 PolarHBondContact OD2-NZ 3.49Å |
| 273 | G | 84.1 | Confident | 91.1 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 55% | 0.546 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 10.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | N271 | N271-G273 PolarHBondContact O-N 2.71Š|
| 274 | K | 90.4 | Very high | 90.9 | Very high | 151 Ų | 151 | 52.9 Ų | 52.9 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.7 | 174.3 | -60.3 | 169.1 | -171.7 | 162.4 | 0 | 110.1 | M270 N271 D272 | M270-K274 WeakPolarHBondContact CA-O 3.5Å; N271-K274 PolarHBondContact N-O 3.42Å; N271-K274 PolarHBondContact O-N 3.09Å; D272-K274 VanDerWaalsContact C-N 3.3Å; D272-K274 PolarHBondContact O-N 2.79Å |
| 275 | C | 93.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.9 | 172.9 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | E251 C263 C266 A269 | E251-C275 HydrophobicContact CB-CB 3.7Å; E251-C275 WeakPolarHBondContact O-CB 3.29Å; C263-C275 WeakPolarHBondContact CB-SG 3.15Å; C266-C275 WeakPolarHBondContact CA-SG 3.28Å; C266-C275 HydrophobicContact CB-CB 3.57Å; C266-C275 WeakPolarHBondContact CB-SG 3.46Å; C266-C275 WeakPolarHBondContact SG-CA 3.34Å; C266-C275 WeakPolarHBondContact SG-CB 3.16Å; C266-C275 CovalentContact SG-SG 2.04Å; C266-C275 PolarHBondContact SG-SG 2.67Å; A269-C275 WeakPolarHBondContact O-CA 3.06Å |
| 276 | V | 93.5 | Very high | 90.1 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 151.9 | -177.6 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | A269 N271 Q278 | A269-V276 HydrophobicContact CB-CG2 4.17Å; A269-V276 PolarHBondContact N-O 2.04Å; A269-V276 PolarHBondContact O-N 3.42Å; N271-V276 HydrophobicContact CB-CG1 4.36Å; N271-V276 HydrophobicContact CB-CG2 3.85Å; V276-Q278 VanDerWaalsContact C-N 3.28Å; V276-Q278 VanDerWaalsContact CG2-O 3.28Å; V276-Q278 WeakPolarHBondContact CG2-O 3.34Å; V276-Q278 PolarHBondContact O-N 2.67Å |
| 277 | S | 90.3 | Very high | 89.6 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -66.2 | -28 | 179 | 50.9 | 0 | 0 | 0 | 0 | 114 | E251 H268 | E251-S277 WeakPolarHBondContact OE1-CB 3.35Å; E251-S277 WeakPolarHBondContact OE2-CA 3.44Å; E251-S277 PolarHBondContact OE2-N 2.82Å; H268-S277 VanDerWaalsContact CB-O 3.27Å; H268-S277 WeakPolarHBondContact CB-O 3.36Å |
| 278 | Q | 91.2 | Very high | 89.2 | Confident | 124 Ų | 124 | 74.5 Ų | 74.5 | 58% | 0.579 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -157.2 | 156 | 178.4 | 53.6 | 172.4 | 92.1 | 0 | 0 | 110.2 | V276 | V276-Q278 VanDerWaalsContact C-N 3.28Å; V276-Q278 VanDerWaalsContact CG2-O 3.28Å; V276-Q278 WeakPolarHBondContact CG2-O 3.34Å; V276-Q278 PolarHBondContact O-N 2.67Å |
| 279 | C | 93.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 156.4 | 168.7 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | N301 C306 | C279-N301 WeakPolarHBondContact CB-OD1 3.15Å; C279-N301 PolarHBondContact SG-OD1 2.88Å; C279-C306 WeakPolarHBondContact CA-SG 3.32Å; C279-C306 HydrophobicContact CB-CB 3.8Å; C279-C306 WeakPolarHBondContact CB-SG 3.42Å; C279-C306 WeakPolarHBondContact SG-CA 3.37Å; C279-C306 WeakPolarHBondContact SG-CB 3.36Å; C279-C306 CovalentContact SG-SG 2.03Å; C279-C306 PolarHBondContact SG-SG 2.83Å |
| 280 | P | 93.2 | Very high | 88.1 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 16% | 0.156 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 123.1 | 176 | -24.7 | 34.1 | 0 | 0 | 0 | 111.1 | E297 F298 K299 | P280-E297 HydrophobicContact CB-CB 4.42Å; P280-E297 WeakPolarHBondContact CB-O 3.21Å; P280-E297 WeakPolarHBondContact CG-O 3.45Å; P280-F298 WeakPolarHBondContact O-CD2 3.38Å; P280-K299 PolarHBondContact O-N 2.9Å |
| 281 | P | 91.2 | Very high | 87.6 | Confident | 49 Ų | 49 | 86 Ų | 86 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 161.5 | -176.5 | 29.6 | -36.3 | 0 | 0 | 0 | 111.8 | L283 I284 N295 | P281-L283 WeakPolarHBondContact CG-O 3.49Å; P281-L283 PolarHBondContact O-N 3.28Å; P281-I284 HydrophobicContact CG-CG2 4.35Å; P281-N295 WeakPolarHBondContact O-CB 3.47Å; P281-N295 PolarHBondContact O-ND2 3.46Å |
| 282 | P | 87.9 | Confident | 86.9 | Confident | 55 Ų | 55 | 89 Ų | 89 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -67.8 | -23.2 | 178 | 26.8 | -34.7 | 0 | 0 | 0 | 113.7 | N295 F298 | P282-N295 PolarHBondContact O-N 2.96Å; P282-F298 VanDerWaalsContact CA-CD2 3.45Å; P282-F298 HydrophobicContact CB-CD1 4.4Å; P282-F298 HydrophobicContact CB-CD2 3.82Å; P282-F298 HydrophobicContact CB-CE1 4.41Å; P282-F298 HydrophobicContact CB-CE2 3.85Å; P282-F298 HydrophobicContact CB-CG 4.12Å; P282-F298 HydrophobicContact CB-CZ 4.15Å; P282-F298 HydrophobicContact CG-CE2 4.32Å |
| 283 | L | 88 | Confident | 86.8 | Confident | 99 Ų | 99 | 86 Ų | 86 | 52% | 0.518 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | 179.6 | -61.2 | 175.9 | 0 | 0 | 0 | 110.9 | P281 V293 | P281-L283 WeakPolarHBondContact CG-O 3.49Å; P281-L283 PolarHBondContact O-N 3.28Å; L283-V293 VanDerWaalsContact CA-O 3.29Å; L283-V293 WeakPolarHBondContact CA-O 3.49Å |
| 284 | I | 87.5 | Confident | 86.8 | Confident | 69 Ų | 69 | 86.4 Ų | 86.4 | 35% | 0.354 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.3 | 171.4 | 52 | 173.4 | 0 | 0 | 0 | 110.5 | P281 S286 T292 V293 N295 | P281-I284 HydrophobicContact CG-CG2 4.35Å; I284-S286 PolarHBondContact O-N 3.49Å; I284-T292 CarbonylContact O-C 3.56Å; I284-T292 WeakPolarHBondContact O-CA 3.43Å; I284-V293 HydrophobicContact CD1-CG2 4.29Å; I284-V293 HydrophobicContact CG1-CG2 3.72Å; I284-V293 PolarHBondContact N-O 3.17Å; I284-V293 PolarHBondContact O-N 3.43Å; I284-N295 HydrophobicContact CD1-CB 4.4Å; I284-N295 HydrophobicContact CG1-CB 4.09Å; I284-N295 HydrophobicContact CG2-CB 3.95Å |
| 285 | V | 84.7 | Confident | 86.7 | Confident | 113 Ų | 113 | 80.2 Ų | 80.2 | 69% | 0.685 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 107.4 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | R287 T292 | V285-R287 PolarHBondContact O-N 3.14Å; V285-T292 HydrophobicContact CG2-CG2 4.35Å |
| 286 | S | 82.2 | Confident | 86.4 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 15% | 0.154 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 119.8 | 173 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | I284 E288 E289 S290 R291 | I284-S286 PolarHBondContact O-N 3.49Å; S286-E288 VanDerWaalsContact C-N 3.27Å; S286-E288 PolarHBondContact OG-N 2.63Å; S286-E289 PolarHBondContact OG-N 2.72Å; S286-E289 VanDerWaalsContact OG-N 3.11Å; S286-S290 WeakPolarHBondContact O-CA 3.33Å; S286-S290 PolarHBondContact O-N 2.75Å; S286-R291 PolarHBondContact N-O 3.28Å |
| 287 | R | 83.9 | Confident | 86.2 | Confident | 238 Ų | 238 | 88.2 Ų | 88.2 | 90% | 0.898 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.7 | 172.7 | -70.8 | -173.6 | 177.3 | -173.8 | -0.2 | 112.9 | V285 | V285-R287 PolarHBondContact O-N 3.14Š|
| 288 | E | 81.9 | Confident | 86.3 | Confident | 188 Ų | 188 | 87.1 Ų | 87.1 | 88% | 0.879 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -41 | -179.3 | -63.1 | 179.7 | 171.6 | 0 | 0 | 110.8 | S286 | S286-E288 VanDerWaalsContact C-N 3.27Å; S286-E288 PolarHBondContact OG-N 2.63Å |
| 289 | E | 82 | Confident | 86.3 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 47% | 0.467 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -7.3 | 179.8 | -56.4 | -168.2 | 145.5 | 0 | 0 | 114.1 | S286 R291 V293 | S286-E289 PolarHBondContact OG-N 2.72Å; S286-E289 VanDerWaalsContact OG-N 3.11Å; E289-R291 HydrophobicContact CB-CG 3.89Å; E289-R291 VanDerWaalsContact CD-NH2 3.29Å; E289-R291 PolarHBondContact O-N 3.23Å; E289-R291 VanDerWaalsContact O-N 3.14Å; E289-R291 IonicContact OE1-NH2 3.9Å; E289-R291 PolarHBondContact OE1-NH2 3.18Å; E289-R291 VanDerWaalsContact OE1-NH2 3.15Å; E289-R291 IonicContact OE2-CZ 3.23Å; E289-R291 IonicContact OE2-NE 2.97Å; E289-R291 PolarHBondContact OE2-NE 3.19Å; E289-R291 IonicContact OE2-NH2 3.06Å; E289-R291 PolarHBondContact OE2-NH2 3.11Å; E289-V293 WeakPolarHBondContact OE2-CG1 3.46Å |
| 290 | S | 79.2 | Confident | 86.2 | Confident | 109 Ų | 109 | 82.8 Ų | 82.8 | 76% | 0.762 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 26.7 | -177 | -59.3 | 0 | 0 | 0 | 0 | 115.2 | S286 | S286-S290 WeakPolarHBondContact O-CA 3.33Å; S286-S290 PolarHBondContact O-N 2.75Å |
| 291 | R | 80.3 | Confident | 86.1 | Confident | 151 Ų | 151 | 82.9 Ų | 82.9 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 165.1 | 177.6 | 65.7 | 176.3 | 178.3 | 167.5 | -1.1 | 111.7 | S286 E289 V293 | S286-R291 PolarHBondContact N-O 3.28Å; E289-R291 HydrophobicContact CB-CG 3.89Å; E289-R291 VanDerWaalsContact CD-NH2 3.29Å; E289-R291 PolarHBondContact O-N 3.23Å; E289-R291 VanDerWaalsContact O-N 3.14Å; E289-R291 IonicContact OE1-NH2 3.9Å; E289-R291 PolarHBondContact OE1-NH2 3.18Å; E289-R291 VanDerWaalsContact OE1-NH2 3.15Å; E289-R291 IonicContact OE2-CZ 3.23Å; E289-R291 IonicContact OE2-NE 2.97Å; E289-R291 PolarHBondContact OE2-NE 3.19Å; E289-R291 IonicContact OE2-NH2 3.06Å; E289-R291 PolarHBondContact OE2-NH2 3.11Å; R291-V293 HydrophobicContact CG-CG1 3.98Å |
| 292 | T | 78.7 | Confident | 85.9 | Confident | 90 Ų | 90 | 80.7 Ų | 80.7 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.4 | 163.2 | 46.7 | 0 | 0 | 0 | 0 | 109.9 | I284 V285 | I284-T292 CarbonylContact O-C 3.56Å; I284-T292 WeakPolarHBondContact O-CA 3.43Å; V285-T292 HydrophobicContact CG2-CG2 4.35Å |
| 293 | V | 85.8 | Confident | 85.7 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 158.9 | 176.2 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | L283 I284 E289 R291 N295 | L283-V293 VanDerWaalsContact CA-O 3.29Å; L283-V293 WeakPolarHBondContact CA-O 3.49Å; I284-V293 HydrophobicContact CD1-CG2 4.29Å; I284-V293 HydrophobicContact CG1-CG2 3.72Å; I284-V293 PolarHBondContact N-O 3.17Å; I284-V293 PolarHBondContact O-N 3.43Å; E289-V293 WeakPolarHBondContact OE2-CG1 3.46Å; R291-V293 HydrophobicContact CG-CG1 3.98Å; V293-N295 PolarHBondContact O-N 3.34Å |
| 294 | A | 83.8 | Confident | 85.5 | Confident | 62 Ų | 62 | 78.1 Ų | 78.1 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 136 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P296 | A294-P296 WeakPolarHBondContact O-CD 3.16Å |
| 295 | N | 89.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 11% | 0.107 | 38% | 0.384 | C | S | . | . | trans | -87.4 | 114.3 | 176.7 | -177.9 | 14.4 | 0 | 0 | 0 | 110.1 | P281 P282 I284 V293 E297 F298 | P281-N295 WeakPolarHBondContact O-CB 3.47Å; P281-N295 PolarHBondContact O-ND2 3.46Å; P282-N295 PolarHBondContact O-N 2.96Å; I284-N295 HydrophobicContact CD1-CB 4.4Å; I284-N295 HydrophobicContact CG1-CB 4.09Å; I284-N295 HydrophobicContact CG2-CB 3.95Å; V293-N295 PolarHBondContact O-N 3.34Å; N295-E297 PolarHBondContact O-N 3.39Å; N295-E297 PolarHBondContact OD1-N 3.12Å; N295-E297 VanDerWaalsContact OD1-N 3.14Å; N295-F298 HydrophobicContact CB-CB 4.38Å; N295-F298 VanDerWaalsContact O-CB 3.26Å; N295-F298 WeakPolarHBondContact O-CB 3.35Å; N295-F298 PolarHBondContact O-N 3.25Å | ||
| 296 | P | 87.3 | Confident | 86 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 76% | 0.76 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -19.9 | 178 | 27.7 | -35.2 | 0 | 0 | 0 | 113.1 | A294 | A294-P296 WeakPolarHBondContact O-CD 3.16Š|
| 297 | E | 89.4 | Confident | 86.4 | Confident | 116 Ų | 116 | 68.4 Ų | 68.4 | 54% | 0.542 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.2 | 176.2 | -64.1 | -61.8 | 144.5 | 0 | 0 | 113.4 | P280 N295 K299 | P280-E297 HydrophobicContact CB-CB 4.42Å; P280-E297 WeakPolarHBondContact CB-O 3.21Å; P280-E297 WeakPolarHBondContact CG-O 3.45Å; N295-E297 PolarHBondContact O-N 3.39Å; N295-E297 PolarHBondContact OD1-N 3.12Å; N295-E297 VanDerWaalsContact OD1-N 3.14Å; E297-K299 PolarHBondContact O-N 3.21Å |
| 298 | F | 91.1 | Very high | 86.7 | Confident | 49 Ų | 49 | 63 Ų | 63 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | trans | -52 | 132.2 | -178.3 | 169.8 | -129 | 0 | 0 | 0 | 112.7 | P280 P282 N295 Y300 | P280-F298 WeakPolarHBondContact O-CD2 3.38Å; P282-F298 VanDerWaalsContact CA-CD2 3.45Å; P282-F298 HydrophobicContact CB-CD1 4.4Å; P282-F298 HydrophobicContact CB-CD2 3.82Å; P282-F298 HydrophobicContact CB-CE1 4.41Å; P282-F298 HydrophobicContact CB-CE2 3.85Å; P282-F298 HydrophobicContact CB-CG 4.12Å; P282-F298 HydrophobicContact CB-CZ 4.15Å; P282-F298 HydrophobicContact CG-CE2 4.32Å; N295-F298 HydrophobicContact CB-CB 4.38Å; N295-F298 VanDerWaalsContact O-CB 3.26Å; N295-F298 WeakPolarHBondContact O-CB 3.35Å; N295-F298 PolarHBondContact O-N 3.25Å; F298-Y300 HydrophobicContact CE1-CD2 4.34Å; F298-Y300 HydrophobicContact CE1-CE1 4.03Å; F298-Y300 AromaticContact CE1-CE2 3.78Å; F298-Y300 HydrophobicContact CE1-CE2 3.78Å; F298-Y300 AromaticContact CE1-CZ 3.6Å; F298-Y300 AromaticContact CZ-CD1 3.94Å; F298-Y300 HydrophobicContact CZ-CD1 3.94Å; F298-Y300 HydrophobicContact CZ-CD2 4.25Å; F298-Y300 AromaticContact CZ-CE1 3.75Å; F298-Y300 HydrophobicContact CZ-CE1 3.75Å; F298-Y300 HydrophobicContact CZ-CE2 4.07Å; F298-Y300 HydrophobicContact CZ-CG 4.17Å; F298-Y300 AromaticContact CZ-CZ 3.81Å | ||
| 299 | K | 92.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | trans | -137.1 | 143.1 | 170.6 | -65.7 | -170 | -168.8 | 176.5 | 0 | 110.5 | N271 D272 P280 E297 C306 V307 K308 | N271-K299 WeakPolarHBondContact OD1-CD 3.43Å; N271-K299 WeakPolarHBondContact OD1-CE 3.34Å; N271-K299 PolarHBondContact OD1-NZ 3.09Å; D272-K299 IonicContact OD1-NZ 3.96Å; D272-K299 PolarHBondContact OD1-NZ 3.35Å; D272-K299 IonicContact OD2-NZ 2.59Å; D272-K299 PolarHBondContact OD2-NZ 3.49Å; P280-K299 PolarHBondContact O-N 2.9Å; E297-K299 PolarHBondContact O-N 3.21Å; K299-C306 HydrophobicContact CB-CB 4.02Å; K299-C306 HydrophobicContact CD-CB 3.92Å; K299-V307 CarbonylContact C-O 3.52Å; K299-V307 WeakPolarHBondContact CA-O 3.07Å; K299-V307 WeakPolarHBondContact CB-O 3.22Å; K299-K308 HydrophobicContact CD-CG 4.27Å; K299-K308 HydrophobicContact CG-CG 4.01Å | ||
| 300 | Y | 91.5 | Very high | 86.9 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 14% | 0.137 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 143.8 | 172.4 | -58.2 | -96.7 | 0 | 0 | 0 | 110.3 | F298 F302 V307 K308 K316 S319 C321 | F298-Y300 HydrophobicContact CE1-CD2 4.34Å; F298-Y300 HydrophobicContact CE1-CE1 4.03Å; F298-Y300 AromaticContact CE1-CE2 3.78Å; F298-Y300 HydrophobicContact CE1-CE2 3.78Å; F298-Y300 AromaticContact CE1-CZ 3.6Å; F298-Y300 AromaticContact CZ-CD1 3.94Å; F298-Y300 HydrophobicContact CZ-CD1 3.94Å; F298-Y300 HydrophobicContact CZ-CD2 4.25Å; F298-Y300 AromaticContact CZ-CE1 3.75Å; F298-Y300 HydrophobicContact CZ-CE1 3.75Å; F298-Y300 HydrophobicContact CZ-CE2 4.07Å; F298-Y300 HydrophobicContact CZ-CG 4.17Å; F298-Y300 AromaticContact CZ-CZ 3.81Å; Y300-F302 PolarHBondContact O-N 3.3Å; Y300-V307 PolarHBondContact N-O 3.28Å; Y300-V307 PolarHBondContact O-N 3.19Å; Y300-K308 WeakPolarHBondContact CE2-O 3.38Å; Y300-K316 HydrophobicContact CD1-CG 4.45Å; Y300-K316 HydrophobicContact CE1-CB 3.83Å; Y300-K316 HydrophobicContact CE1-CD 4.35Å; Y300-K316 HydrophobicContact CE1-CG 3.81Å; Y300-K316 HydrophobicContact CE2-CD 4.49Å; Y300-K316 HydrophobicContact CE2-CG 4.48Å; Y300-S319 CarbonylContact C-O 3.56Å; Y300-S319 WeakPolarHBondContact CA-O 3.41Å; Y300-C321 VanDerWaalsContact CB-SG 3.52Å |
| 301 | N | 89.6 | Confident | 86.7 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 98.6 | 168.3 | -59.3 | -86.8 | 0 | 0 | 0 | 108.5 | C279 H303 S319 Y320 C321 | C279-N301 WeakPolarHBondContact CB-OD1 3.15Å; C279-N301 PolarHBondContact SG-OD1 2.88Å; N301-H303 PolarHBondContact O-N 3.05Å; N301-S319 PolarHBondContact N-O 3.49Å; N301-S319 PolarHBondContact ND2-O 3.07Å; N301-Y320 HydrophobicContact CB-CD1 3.63Å; N301-Y320 HydrophobicContact CB-CE1 3.81Å; N301-Y320 HydrophobicContact CB-CG 4.44Å; N301-C321 PolarHBondContact O-N 2.79Å; N301-C321 VanDerWaalsContact O-N 3.15Å |
| 302 | F | 88.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 82.4 | 163.9 | -179.3 | -97.7 | 0 | 0 | 0 | 108.4 | F21 I23 A31 I63 Y300 D304 I305 V307 P311 F314 C321 | F21-F302 AromaticContact CE2-CE1 3.92Å; F21-F302 HydrophobicContact CE2-CE1 3.92Å; F21-F302 HydrophobicContact CE2-CE2 4.03Å; F21-F302 AromaticContact CE2-CZ 3.34Å; F21-F302 HydrophobicContact CE2-CZ 3.34Å; F21-F302 HydrophobicContact CZ-CE2 4.29Å; F21-F302 AromaticContact CZ-CZ 3.64Å; F21-F302 HydrophobicContact CZ-CZ 3.64Å; I23-F302 HydrophobicContact CD1-CD1 3.82Å; I23-F302 HydrophobicContact CD1-CE1 4.03Å; A31-F302 HydrophobicContact CB-CE1 4.23Å; I63-F302 HydrophobicContact CD1-CE1 4.34Å; I63-F302 HydrophobicContact CG1-CE1 4.2Å; I63-F302 HydrophobicContact CG1-CZ 4.21Å; Y300-F302 PolarHBondContact O-N 3.3Å; F302-D304 PolarHBondContact O-N 3.28Å; F302-D304 VanDerWaalsContact O-N 3.13Å; F302-I305 CarbonylContact C-O 3.15Å; F302-I305 WeakPolarHBondContact CA-O 3.46Å; F302-I305 WeakPolarHBondContact CB-O 3.46Å; F302-I305 HydrophobicContact CD1-CB 4.41Å; F302-I305 PolarHBondContact N-O 3Å; F302-I305 PolarHBondContact O-N 3.1Å; F302-V307 HydrophobicContact CB-CG1 4.02Å; F302-V307 HydrophobicContact CB-CG2 3.7Å; F302-P311 HydrophobicContact CD2-CG 3.94Å; F302-P311 HydrophobicContact CE2-CG 3.94Å; F302-F314 HydrophobicContact CE2-CD1 4.08Å; F302-F314 HydrophobicContact CE2-CD2 4Å; F302-F314 AromaticContact CE2-CE1 3.81Å; F302-F314 HydrophobicContact CE2-CE1 3.81Å; F302-F314 AromaticContact CE2-CE2 3.75Å; F302-F314 HydrophobicContact CE2-CE2 3.75Å; F302-F314 HydrophobicContact CE2-CG 4.16Å; F302-F314 AromaticContact CE2-CZ 3.64Å; F302-F314 HydrophobicContact CE2-CZ 3.64Å; F302-F314 HydrophobicContact CZ-CE2 4.33Å; F302-F314 HydrophobicContact CZ-CZ 4.16Å; F302-C321 HydrophobicContact CB-CB 4.45Å; F302-C321 HydrophobicContact CD2-CB 3.92Å |
| 303 | H | 82.3 | Confident | 85.1 | Confident | 89 Ų | 89 | 45 Ų | 45 | 41% | 0.412 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -111.6 | -168.9 | -165.5 | 55.1 | 0 | 0 | 0 | 111.9 | I63 S92 N301 | I63-H303 HydrophobicContact CD1-CB 4.23Å; S92-H303 WeakPolarHBondContact CB-NE2 3.34Å; N301-H303 PolarHBondContact O-N 3.05Å |
| 304 | D | 84.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 14.5 | 177.8 | 65.7 | -41.8 | 0 | 0 | 0 | 113.4 | R114 A269 M270 F302 | R114-D304 IonicContact CZ-OD2 2.64Å; R114-D304 IonicContact NE-OD2 3.57Å; R114-D304 PolarHBondContact NE-OD2 3.46Å; R114-D304 IonicContact NH2-OD2 3.69Å; R114-D304 PolarHBondContact NH2-OD2 3.07Å; A269-D304 CarbonylContact C-O 2.91Å; A269-D304 VanDerWaalsContact CA-O 3.24Å; A269-D304 WeakPolarHBondContact CA-O 3.42Å; M270-D304 PolarHBondContact N-O 2.86Å; F302-D304 PolarHBondContact O-N 3.28Å; F302-D304 VanDerWaalsContact O-N 3.13Å |
| 305 | I | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.2 | -175.7 | -56.3 | 168 | 0 | 0 | 0 | 110.2 | I23 Y26 I29 M270 F302 V307 | I23-I305 HydrophobicContact CD1-CD1 3.75Å; I23-I305 HydrophobicContact CD1-CG2 4.2Å; Y26-I305 HydrophobicContact CD2-CG2 3.66Å; Y26-I305 HydrophobicContact CE2-CG2 3.35Å; I29-I305 HydrophobicContact CD1-CD1 3.84Å; I29-I305 HydrophobicContact CG2-CD1 3.94Å; M270-I305 HydrophobicContact CE-CG1 4.21Å; F302-I305 CarbonylContact C-O 3.15Å; F302-I305 WeakPolarHBondContact CA-O 3.46Å; F302-I305 WeakPolarHBondContact CB-O 3.46Å; F302-I305 HydrophobicContact CD1-CB 4.41Å; F302-I305 PolarHBondContact N-O 3Å; F302-I305 PolarHBondContact O-N 3.1Å; I305-V307 HydrophobicContact CG2-CG1 4.19Å |
| 306 | C | 93.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.3 | 179.4 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | Y26 M270 N271 C279 K299 | Y26-C306 VanDerWaalsContact CE2-O 3.31Å; Y26-C306 WeakPolarHBondContact CE2-O 3.36Å; Y26-C306 PolarHBondContact OH-O 3.09Å; M270-C306 PolarHBondContact O-N 2.91Å; M270-C306 PolarHBondContact O-SG 2.86Å; N271-C306 HydrophobicContact CB-CB 4Å; C279-C306 WeakPolarHBondContact CA-SG 3.32Å; C279-C306 HydrophobicContact CB-CB 3.8Å; C279-C306 WeakPolarHBondContact CB-SG 3.42Å; C279-C306 WeakPolarHBondContact SG-CA 3.37Å; C279-C306 WeakPolarHBondContact SG-CB 3.36Å; C279-C306 CovalentContact SG-SG 2.03Å; C279-C306 PolarHBondContact SG-SG 2.83Å; K299-C306 HydrophobicContact CB-CB 4.02Å; K299-C306 HydrophobicContact CD-CB 3.92Å |
| 307 | V | 91 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.3 | -177.4 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | I23 Y26 K299 Y300 F302 I305 N309 | I23-V307 HydrophobicContact CG2-CG1 3.59Å; Y26-V307 HydrophobicContact CE2-CG1 4.22Å; K299-V307 CarbonylContact C-O 3.52Å; K299-V307 WeakPolarHBondContact CA-O 3.07Å; K299-V307 WeakPolarHBondContact CB-O 3.22Å; Y300-V307 PolarHBondContact N-O 3.28Å; Y300-V307 PolarHBondContact O-N 3.19Å; F302-V307 HydrophobicContact CB-CG1 4.02Å; F302-V307 HydrophobicContact CB-CG2 3.7Å; I305-V307 HydrophobicContact CG2-CG1 4.19Å; V307-N309 VanDerWaalsContact C-N 3.33Å; V307-N309 VanDerWaalsContact CG2-O 3.31Å; V307-N309 WeakPolarHBondContact CG2-O 3.27Å |
| 308 | K | 88.5 | Confident | 83.6 | Confident | 124 Ų | 124 | 40.1 Ų | 40.1 | 54% | 0.539 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -70.1 | -29.5 | 175.8 | -68 | 177.4 | -178.3 | -167.7 | 0 | 112.7 | E25 K299 Y300 | E25-K308 VanDerWaalsContact CD-N 3.31Å; E25-K308 WeakPolarHBondContact OE1-CB 3.4Å; E25-K308 PolarHBondContact OE1-N 2.81Å; E25-K308 WeakPolarHBondContact OE2-CG 3.4Å; E25-K308 PolarHBondContact OE2-N 2.84Å; E25-K308 VanDerWaalsContact OE2-N 3.09Å; K299-K308 HydrophobicContact CD-CG 4.27Å; K299-K308 HydrophobicContact CG-CG 4.01Å; Y300-K308 WeakPolarHBondContact CE2-O 3.38Å |
| 309 | N | 85.7 | Confident | 83.3 | Confident | 92 Ų | 92 | 39 Ų | 39 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -136.5 | 140.1 | 171.6 | -78.3 | -75.3 | 0 | 0 | 0 | 110.5 | V307 K316 | V307-N309 VanDerWaalsContact C-N 3.33Å; V307-N309 VanDerWaalsContact CG2-O 3.31Å; V307-N309 WeakPolarHBondContact CG2-O 3.27Å; N309-K316 VanDerWaalsContact OD1-CE 3.31Å; N309-K316 WeakPolarHBondContact OD1-CE 3.05Å; N309-K316 PolarHBondContact OD1-NZ 2.87Å |
| 310 | C | 83 | Confident | 83.2 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 10% | 0.101 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 129.5 | 171 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | F314 K316 C321 | C310-F314 HydrophobicContact CB-CB 4.07Å; C310-F314 WeakPolarHBondContact CB-O 3.48Å; C310-K316 HydrophobicContact CB-CG 4.41Å; C310-C321 WeakPolarHBondContact CA-SG 3.43Å; C310-C321 HydrophobicContact CB-CB 3.72Å; C310-C321 WeakPolarHBondContact CB-SG 3.28Å; C310-C321 WeakPolarHBondContact SG-CA 3.44Å; C310-C321 WeakPolarHBondContact SG-CB 3.06Å; C310-C321 CovalentContact SG-SG 2.04Å; C310-C321 PolarHBondContact SG-SG 3.44Å |
| 311 | P | 75.4 | Confident | 83 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 133.7 | 176.9 | 28.3 | -33.3 | 0 | 0 | 0 | 109.6 | F21 F302 F314 | F21-P311 HydrophobicContact CD2-CB 4.25Å; F21-P311 HydrophobicContact CD2-CG 4.1Å; F21-P311 HydrophobicContact CE2-CG 4.25Å; F302-P311 HydrophobicContact CD2-CG 3.94Å; F302-P311 HydrophobicContact CE2-CG 3.94Å; P311-F314 HydrophobicContact CG-CD2 4.5Å; P311-F314 WeakPolarHBondContact O-CB 3.06Å; P311-F314 WeakPolarHBondContact O-CD2 3.41Å; P311-F314 PolarHBondContact O-N 3.24Å |
| 312 | A | 60.3 | Low | 82.4 | Confident | 90 Ų | 90 | 45 Ų | 45 | 74% | 0.744 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 134.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 313 | P | 64 | Low | 81.4 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.2 | 11.2 | 15.7 | 39 | -40.1 | 0 | 0 | 0 | 115.8 | L19 L315 V444 | L19-P313 HydrophobicContact CD1-CG 4.4Å; P313-L315 PolarHBondContact O-N 2.91Å; P313-V444 HydrophobicContact CB-CG2 3.69Å; P313-V444 HydrophobicContact CG-CB 4.3Å; P313-V444 HydrophobicContact CG-CG1 4.32Å; P313-V444 HydrophobicContact CG-CG2 3.83Å |
| 314 | F | 72 | Confident | 80.6 | Confident | 18 Ų | 18 | 48.4 Ų | 48.4 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 129.7 | -172 | -69.7 | -108.1 | 0 | 0 | 0 | 112.3 | F21 F302 C310 P311 C321 V322 I323 | F21-F314 HydrophobicContact CE1-CE2 4.03Å; F21-F314 HydrophobicContact CE2-CE2 4.45Å; F21-F314 AromaticContact CZ-CE2 3.81Å; F21-F314 HydrophobicContact CZ-CE2 3.81Å; F21-F314 HydrophobicContact CZ-CZ 4.32Å; F302-F314 HydrophobicContact CE2-CD1 4.08Å; F302-F314 HydrophobicContact CE2-CD2 4Å; F302-F314 AromaticContact CE2-CE1 3.81Å; F302-F314 HydrophobicContact CE2-CE1 3.81Å; F302-F314 AromaticContact CE2-CE2 3.75Å; F302-F314 HydrophobicContact CE2-CE2 3.75Å; F302-F314 HydrophobicContact CE2-CG 4.16Å; F302-F314 AromaticContact CE2-CZ 3.64Å; F302-F314 HydrophobicContact CE2-CZ 3.64Å; F302-F314 HydrophobicContact CZ-CE2 4.33Å; F302-F314 HydrophobicContact CZ-CZ 4.16Å; C310-F314 HydrophobicContact CB-CB 4.07Å; C310-F314 WeakPolarHBondContact CB-O 3.48Å; P311-F314 HydrophobicContact CG-CD2 4.5Å; P311-F314 WeakPolarHBondContact O-CB 3.06Å; P311-F314 WeakPolarHBondContact O-CD2 3.41Å; P311-F314 PolarHBondContact O-N 3.24Å; F314-C321 HydrophobicContact CB-CB 4.07Å; F314-C321 HydrophobicContact CD1-CB 4.24Å; F314-C321 HydrophobicContact CG-CB 4.48Å; F314-V322 CarbonylContact C-O 3.5Å; F314-V322 WeakPolarHBondContact CA-O 3.34Å; F314-V322 VanDerWaalsContact CB-O 3.25Å; F314-V322 WeakPolarHBondContact CB-O 3.39Å; F314-V322 WeakPolarHBondContact CD1-O 3.37Å; F314-I323 HydrophobicContact CD1-CD1 4.12Å; F314-I323 HydrophobicContact CD1-CG1 3.84Å; F314-I323 HydrophobicContact CE1-CD1 3.79Å; F314-I323 HydrophobicContact CE1-CG1 3.77Å; F314-I323 HydrophobicContact CZ-CG1 4.39Å |
| 315 | L | 78.1 | Confident | 79.9 | Confident | 32 Ų | 32 | 48.3 Ų | 48.3 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 152.5 | 175.3 | -56.5 | 176.8 | 0 | 0 | 0 | 111 | P313 V322 I323 P332 G335 | P313-L315 PolarHBondContact O-N 2.91Å; L315-V322 HydrophobicContact CB-CG2 4.03Å; L315-V322 PolarHBondContact N-O 2.84Å; L315-V322 PolarHBondContact O-N 2.88Å; L315-I323 WeakPolarHBondContact CD1-O 3.25Å; L315-P332 HydrophobicContact CD1-CB 4.35Å; L315-G335 WeakPolarHBondContact CA-O 2.78Å |
| 316 | K | 84.7 | Confident | 79.2 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 24% | 0.235 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.9 | 172 | -66.4 | 167.4 | 174.3 | 179.9 | 0 | 109.8 | Y300 N309 C310 G335 T336 C337 | Y300-K316 HydrophobicContact CD1-CG 4.45Å; Y300-K316 HydrophobicContact CE1-CB 3.83Å; Y300-K316 HydrophobicContact CE1-CD 4.35Å; Y300-K316 HydrophobicContact CE1-CG 3.81Å; Y300-K316 HydrophobicContact CE2-CD 4.49Å; Y300-K316 HydrophobicContact CE2-CG 4.48Å; N309-K316 VanDerWaalsContact OD1-CE 3.31Å; N309-K316 WeakPolarHBondContact OD1-CE 3.05Å; N309-K316 PolarHBondContact OD1-NZ 2.87Å; C310-K316 HydrophobicContact CB-CG 4.41Å; K316-G335 PolarHBondContact N-O 2.82Å; K316-T336 HydrophobicContact CB-CG2 4.1Å; K316-T336 CarbonylContact O-C 3.53Å; K316-T336 WeakPolarHBondContact O-CA 3.44Å; K316-C337 PolarHBondContact O-N 3.41Å |
| 317 | S | 85.6 | Confident | 77.9 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 116.8 | 172.4 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | S319 Y320 Q330 | S317-S319 PolarHBondContact O-N 2.98Å; S317-Y320 PolarHBondContact N-O 2.97Å; S317-Y320 VanDerWaalsContact N-O 3.11Å; S317-Y320 PolarHBondContact O-N 2.89Å; S317-Y320 VanDerWaalsContact O-O 3.07Å; S317-Q330 PolarHBondContact OG-OE1 2.76Å |
| 318 | D | 84 | Confident | 76.8 | Confident | 123 Ų | 123 | 59.7 Ų | 59.7 | 66% | 0.658 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | -101 | -173.8 | -55.7 | -56.6 | 0 | 0 | 0 | 113.6 | ||
| 319 | S | 86.1 | Confident | 76.3 | Confident | 27 Ų | 27 | 57 Ų | 57 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 15.6 | 177.6 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | Y300 N301 S317 | Y300-S319 CarbonylContact C-O 3.56Å; Y300-S319 WeakPolarHBondContact CA-O 3.41Å; N301-S319 PolarHBondContact N-O 3.49Å; N301-S319 PolarHBondContact ND2-O 3.07Å; S317-S319 PolarHBondContact O-N 2.98Å |
| 320 | Y | 89.1 | Confident | 75.9 | Confident | 135 Ų | 135 | 53.5 Ų | 53.5 | 53% | 0.529 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 153.1 | -176.3 | -67 | -86.6 | 0 | 0 | 0 | 112.1 | N301 S317 | N301-Y320 HydrophobicContact CB-CD1 3.63Å; N301-Y320 HydrophobicContact CB-CE1 3.81Å; N301-Y320 HydrophobicContact CB-CG 4.44Å; S317-Y320 PolarHBondContact N-O 2.97Å; S317-Y320 VanDerWaalsContact N-O 3.11Å; S317-Y320 PolarHBondContact O-N 2.89Å; S317-Y320 VanDerWaalsContact O-O 3.07Å |
| 321 | C | 86.9 | Confident | 75.1 | Confident | 15 Ų | 15 | 53.9 Ų | 53.9 | 10% | 0.101 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 105.6 | 167.6 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | Y300 N301 F302 C310 F314 | Y300-C321 VanDerWaalsContact CB-SG 3.52Å; N301-C321 PolarHBondContact O-N 2.79Å; N301-C321 VanDerWaalsContact O-N 3.15Å; F302-C321 HydrophobicContact CB-CB 4.45Å; F302-C321 HydrophobicContact CD2-CB 3.92Å; C310-C321 WeakPolarHBondContact CA-SG 3.43Å; C310-C321 HydrophobicContact CB-CB 3.72Å; C310-C321 WeakPolarHBondContact CB-SG 3.28Å; C310-C321 WeakPolarHBondContact SG-CA 3.44Å; C310-C321 WeakPolarHBondContact SG-CB 3.06Å; C310-C321 CovalentContact SG-SG 2.04Å; C310-C321 PolarHBondContact SG-SG 3.44Å; F314-C321 HydrophobicContact CB-CB 4.07Å; F314-C321 HydrophobicContact CD1-CB 4.24Å; F314-C321 HydrophobicContact CG-CB 4.48Å |
| 322 | V | 78.3 | Confident | 74.5 | Confident | 37 Ų | 37 | 55 Ų | 55 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -179.1 | 179.9 | -57 | 0 | 0 | 0 | 0 | 110.6 | F314 L315 E324 | F314-V322 CarbonylContact C-O 3.5Å; F314-V322 WeakPolarHBondContact CA-O 3.34Å; F314-V322 VanDerWaalsContact CB-O 3.25Å; F314-V322 WeakPolarHBondContact CB-O 3.39Å; F314-V322 WeakPolarHBondContact CD1-O 3.37Å; L315-V322 HydrophobicContact CB-CG2 4.03Å; L315-V322 PolarHBondContact N-O 2.84Å; L315-V322 PolarHBondContact O-N 2.88Å; V322-E324 VanDerWaalsContact CG2-O 3.3Å; V322-E324 WeakPolarHBondContact CG2-O 3.05Å |
| 323 | I | 67.3 | Low | 74.6 | Confident | 74 Ų | 74 | 52.6 Ų | 52.6 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -115.4 | -27.9 | 177.3 | -51.8 | 92.6 | 0 | 0 | 0 | 110.9 | R33 F314 L315 | R33-I323 VanDerWaalsContact NH1-CD1 3.3Å; R33-I323 VanDerWaalsContact NH1-CG1 3.34Å; F314-I323 HydrophobicContact CD1-CD1 4.12Å; F314-I323 HydrophobicContact CD1-CG1 3.84Å; F314-I323 HydrophobicContact CE1-CD1 3.79Å; F314-I323 HydrophobicContact CE1-CG1 3.77Å; F314-I323 HydrophobicContact CZ-CG1 4.39Å; L315-I323 WeakPolarHBondContact CD1-O 3.25Å |
| 324 | E | 64.5 | Low | 74.5 | Confident | 90 Ų | 90 | 58.1 Ų | 58.1 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -138.5 | 148.3 | -179.2 | -165.6 | -175 | 171.4 | 0 | 0 | 106.5 | V322 L327 K350 | V322-E324 VanDerWaalsContact CG2-O 3.3Å; V322-E324 WeakPolarHBondContact CG2-O 3.05Å; E324-L327 HydrophobicContact CG-CD1 4.31Å; E324-L327 VanDerWaalsContact OE1-CD1 3.23Å; E324-L327 WeakPolarHBondContact OE1-CD1 3.49Å; E324-K350 WeakPolarHBondContact OE1-CE 3.48Å; E324-K350 IonicContact OE1-NZ 3.83Å; E324-K350 PolarHBondContact OE1-NZ 2.91Å; E324-K350 IonicContact OE2-NZ 2.74Å |
| 325 | C | 70.4 | Confident | 74.1 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | trans | -81.4 | 163.6 | 172.2 | -52 | 0 | 0 | 0 | 0 | 110.3 | L327 Q330 C337 | C325-L327 PolarHBondContact O-N 3.39Å; C325-Q330 HydrophobicContact CB-CB 4.05Å; C325-C337 WeakPolarHBondContact CA-SG 3.21Å; C325-C337 HydrophobicContact CB-CB 3.72Å; C325-C337 WeakPolarHBondContact CB-SG 3.29Å; C325-C337 WeakPolarHBondContact SG-CA 3.07Å; C325-C337 WeakPolarHBondContact SG-CB 3.12Å; C325-C337 CovalentContact SG-SG 2.03Å; C325-C337 PolarHBondContact SG-SG 2.89Å | ||
| 326 | D | 74.6 | Confident | 73.9 | Confident | 74 Ų | 74 | 60 Ų | 60 | 40% | 0.396 | 33% | 0.329 | S | S | . | . | trans | -72.4 | 94.1 | 163.8 | 173.4 | 32 | 0 | 0 | 0 | 109.5 | N328 T329 Q330 | D326-N328 PolarHBondContact O-N 2.83Å; D326-N328 PolarHBondContact OD1-N 2.88Å; D326-N328 PolarHBondContact OD1-ND2 2.73Å; D326-T329 PolarHBondContact O-N 3.33Å; D326-T329 PolarHBondContact O-OG1 3.5Å; D326-T329 WeakPolarHBondContact OD2-CG2 3.39Å; D326-T329 PolarHBondContact OD2-OG1 3.05Å; D326-Q330 PolarHBondContact O-N 2.94Å | ||
| 327 | L | 66.8 | Low | 73.7 | Confident | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -4.3 | -174.7 | -65.9 | 166.1 | 0 | 0 | 0 | 114.8 | E324 C325 Q330 H348 | E324-L327 HydrophobicContact CG-CD1 4.31Å; E324-L327 VanDerWaalsContact OE1-CD1 3.23Å; E324-L327 WeakPolarHBondContact OE1-CD1 3.49Å; C325-L327 PolarHBondContact O-N 3.39Å; L327-Q330 WeakPolarHBondContact CA-O 3.21Å; L327-H348 HydrophobicContact CD2-CB 4.49Å |
| 328 | N | 67 | Low | 73.4 | Confident | 138 Ų | 138 | 62.6 Ų | 62.6 | 74% | 0.738 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -21.7 | 170.2 | -54.4 | -79.2 | 0 | 0 | 0 | 112.7 | D326 | D326-N328 PolarHBondContact O-N 2.83Å; D326-N328 PolarHBondContact OD1-N 2.88Å; D326-N328 PolarHBondContact OD1-ND2 2.73Å |
| 329 | T | 77.9 | Confident | 73.3 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | -25.2 | -173.2 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | D326 D339 C340 | D326-T329 PolarHBondContact O-N 3.33Å; D326-T329 PolarHBondContact O-OG1 3.5Å; D326-T329 WeakPolarHBondContact OD2-CG2 3.39Å; D326-T329 PolarHBondContact OD2-OG1 3.05Å; T329-D339 CarbonylContact O-C 3.42Å; T329-D339 WeakPolarHBondContact O-CA 3.34Å; T329-C340 VanDerWaalsContact C-SG 3.59Å; T329-C340 PolarHBondContact O-N 2.62Å; T329-C340 PolarHBondContact O-SG 3.32Å |
| 330 | Q | 77.8 | Confident | 72.7 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.4 | -171.1 | -68.5 | -178.1 | -14 | 0 | 0 | 112.8 | S317 C325 D326 L327 C337 K338 D339 | S317-Q330 PolarHBondContact OG-OE1 2.76Å; C325-Q330 HydrophobicContact CB-CB 4.05Å; D326-Q330 PolarHBondContact O-N 2.94Å; L327-Q330 WeakPolarHBondContact CA-O 3.21Å; Q330-C337 HydrophobicContact CB-CB 4.33Å; Q330-C337 VanDerWaalsContact OE1-CB 3.27Å; Q330-K338 CarbonylContact C-O 3.42Å; Q330-K338 WeakPolarHBondContact CA-O 3.07Å; Q330-D339 VanDerWaalsContact CG-OD1 3.31Å; Q330-D339 WeakPolarHBondContact CG-OD1 3.37Å; Q330-D339 PolarHBondContact NE2-OD1 2.94Å |
| 331 | I | 65.5 | Low | 72 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.8 | 172.8 | 47.2 | 169.4 | 0 | 0 | 0 | 111.6 | V333 K338 | I331-V333 HydrophobicContact CD1-CG2 3.97Å; I331-V333 HydrophobicContact CG1-CG2 4Å; I331-V333 PolarHBondContact O-N 3.44Å; I331-K338 WeakPolarHBondContact CG1-O 3.42Å; I331-K338 PolarHBondContact N-O 2.78Å; I331-K338 PolarHBondContact O-N 3.34Å |
| 332 | P | 63.8 | Low | 71.2 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.6 | 173.8 | 29.5 | -33 | 0 | 0 | 0 | 110.6 | L315 | L315-P332 HydrophobicContact CD1-CB 4.35Å |
| 333 | V | 61.4 | Low | 70.5 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 24% | 0.242 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 112.3 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | I331 G335 T336 K338 | I331-V333 HydrophobicContact CD1-CG2 3.97Å; I331-V333 HydrophobicContact CG1-CG2 4Å; I331-V333 PolarHBondContact O-N 3.44Å; V333-G335 PolarHBondContact O-N 2.64Å; V333-T336 CarbonylContact C-O 3.57Å; V333-T336 PolarHBondContact N-O 3.45Å; V333-T336 PolarHBondContact O-N 3.36Å; V333-T336 VanDerWaalsContact O-N 3.11Å; V333-K338 HydrophobicContact CB-CD 3.89Å; V333-K338 HydrophobicContact CB-CG 4.22Å; V333-K338 HydrophobicContact CG1-CD 4.17Å; V333-K338 HydrophobicContact CG2-CB 4.46Å; V333-K338 HydrophobicContact CG2-CD 4.21Å; V333-K338 HydrophobicContact CG2-CG 4.47Å |
| 334 | N | 63.1 | Low | 70.2 | Confident | 161 Ų | 161 | 71.1 Ų | 71.1 | 86% | 0.861 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 52.5 | 178.3 | -59.1 | 3.1 | 0 | 0 | 0 | 113.2 | T336 | N334-T336 PolarHBondContact O-N 3.06Š|
| 335 | G | 62.8 | Low | 70.3 | Confident | 42 Ų | 42 | 69 Ų | 69 | 43% | 0.433 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 6.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L315 K316 V333 | L315-G335 WeakPolarHBondContact CA-O 2.78Å; K316-G335 PolarHBondContact N-O 2.82Å; V333-G335 PolarHBondContact O-N 2.64Å |
| 336 | T | 75.2 | Confident | 70.1 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.5 | -177.1 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | K316 V333 N334 | K316-T336 HydrophobicContact CB-CG2 4.1Å; K316-T336 CarbonylContact O-C 3.53Å; K316-T336 WeakPolarHBondContact O-CA 3.44Å; V333-T336 CarbonylContact C-O 3.57Å; V333-T336 PolarHBondContact N-O 3.45Å; V333-T336 PolarHBondContact O-N 3.36Å; V333-T336 VanDerWaalsContact O-N 3.11Å; N334-T336 PolarHBondContact O-N 3.06Å |
| 337 | C | 79.4 | Confident | 70 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 7% | 0.074 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 130.7 | 172.1 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | K316 C325 Q330 | K316-C337 PolarHBondContact O-N 3.41Å; C325-C337 WeakPolarHBondContact CA-SG 3.21Å; C325-C337 HydrophobicContact CB-CB 3.72Å; C325-C337 WeakPolarHBondContact CB-SG 3.29Å; C325-C337 WeakPolarHBondContact SG-CA 3.07Å; C325-C337 WeakPolarHBondContact SG-CB 3.12Å; C325-C337 CovalentContact SG-SG 2.03Å; C325-C337 PolarHBondContact SG-SG 2.89Å; Q330-C337 HydrophobicContact CB-CB 4.33Å; Q330-C337 VanDerWaalsContact OE1-CB 3.27Å |
| 338 | K | 78.8 | Confident | 70.4 | Confident | 111 Ų | 111 | 72.5 Ų | 72.5 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.5 | 178.8 | -64.3 | -169.8 | -177.5 | -176.1 | 0 | 110.4 | Q330 I331 V333 | Q330-K338 CarbonylContact C-O 3.42Å; Q330-K338 WeakPolarHBondContact CA-O 3.07Å; I331-K338 WeakPolarHBondContact CG1-O 3.42Å; I331-K338 PolarHBondContact N-O 2.78Å; I331-K338 PolarHBondContact O-N 3.34Å; V333-K338 HydrophobicContact CB-CD 3.89Å; V333-K338 HydrophobicContact CB-CG 4.22Å; V333-K338 HydrophobicContact CG1-CD 4.17Å; V333-K338 HydrophobicContact CG2-CB 4.46Å; V333-K338 HydrophobicContact CG2-CD 4.21Å; V333-K338 HydrophobicContact CG2-CG 4.47Å |
| 339 | D | 81.9 | Confident | 71.1 | Confident | 120 Ų | 120 | 66 Ų | 66 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 144.8 | 179.7 | -50.5 | -35.2 | 0 | 0 | 0 | 112.4 | T329 Q330 | T329-D339 CarbonylContact O-C 3.42Å; T329-D339 WeakPolarHBondContact O-CA 3.34Å; Q330-D339 VanDerWaalsContact CG-OD1 3.31Å; Q330-D339 WeakPolarHBondContact CG-OD1 3.37Å; Q330-D339 PolarHBondContact NE2-OD1 2.94Å |
| 340 | C | 73.9 | Confident | 71.3 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 19% | 0.189 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.8 | -179.2 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | T329 C345 | T329-C340 VanDerWaalsContact C-SG 3.59Å; T329-C340 PolarHBondContact O-N 2.62Å; T329-C340 PolarHBondContact O-SG 3.32Å; C340-C345 HydrophobicContact CB-CB 3.93Å; C340-C345 WeakPolarHBondContact CB-SG 3.5Å; C340-C345 VanDerWaalsContact SG-CA 3.54Å; C340-C345 WeakPolarHBondContact SG-CB 3.29Å; C340-C345 CovalentContact SG-SG 2.03Å; C340-C345 PolarHBondContact SG-SG 2.97Å |
| 341 | P | 74 | Confident | 71.3 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 156.6 | 175 | 28.6 | -34.3 | 0 | 0 | 0 | 111.6 | S343 G344 | P341-S343 PolarHBondContact O-N 3.11Å; P341-G344 PolarHBondContact O-N 2.94Å |
| 342 | K | 70.5 | Confident | 71.7 | Confident | 222 Ų | 222 | 69.1 Ų | 69.1 | 97% | 0.965 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.2 | -178.6 | -67.9 | -172.2 | 177.3 | -176.2 | 0 | 115.3 | ||
| 343 | S | 64.8 | Low | 72.4 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 78% | 0.776 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -8.3 | 170.3 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | P341 | P341-S343 PolarHBondContact O-N 3.11Š|
| 344 | G | 59.5 | Low | 73.5 | Confident | 39 Ų | 39 | 68.8 Ų | 68.8 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | trans | 100.7 | 160.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P341 | P341-G344 PolarHBondContact O-N 2.94Š| ||
| 345 | C | 66.4 | Low | 74.2 | Confident | 45 Ų | 45 | 61.2 Ų | 61.2 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | trans | -64.1 | 145.2 | 171.2 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | C340 | C340-C345 HydrophobicContact CB-CB 3.93Å; C340-C345 WeakPolarHBondContact CB-SG 3.5Å; C340-C345 VanDerWaalsContact SG-CA 3.54Å; C340-C345 WeakPolarHBondContact SG-CB 3.29Å; C340-C345 CovalentContact SG-SG 2.03Å; C340-C345 PolarHBondContact SG-SG 2.97Å | ||
| 346 | P | 66.6 | Low | 74.1 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 29% | 0.286 | 34% | 0.336 | S | S | . | . | trans | -54.6 | 146.9 | 161.4 | -20.9 | 32.7 | 0 | 0 | 0 | 110.4 | H348 V375 Y376 | P346-H348 PolarHBondContact O-N 3.41Å; P346-V375 HydrophobicContact CB-CB 4.2Å; P346-V375 HydrophobicContact CB-CG2 4.26Å; P346-Y376 HydrophobicContact CB-CD2 4.33Å; P346-Y376 HydrophobicContact CB-CE2 4.18Å; P346-Y376 HydrophobicContact CG-CE2 4.37Å | ||
| 347 | E | 73.4 | Confident | 72.9 | Confident | 101 Ų | 101 | 60.3 Ų | 60.3 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | trans | -67.1 | 107.7 | -176.4 | -160.2 | 173.4 | 155.1 | 0 | 0 | 110.5 | S373 V375 | E347-S373 VanDerWaalsContact CD-OG 3.26Å; E347-S373 PolarHBondContact OE1-OG 2.03Å; E347-S373 WeakPolarHBondContact OE2-CB 3.33Å; E347-S373 PolarHBondContact OE2-OG 2.9Å; E347-V375 PolarHBondContact O-N 2.84Å; E347-V375 VanDerWaalsContact O-N 3.12Å | ||
| 348 | H | 74.2 | Confident | 71.5 | Confident | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.185 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 105.4 | 173 | -178.6 | -63.2 | 0 | 0 | 0 | 109.2 | L327 P346 T378 | L327-H348 HydrophobicContact CD2-CB 4.49Å; P346-H348 PolarHBondContact O-N 3.41Å; H348-T378 PolarHBondContact CE1-OG1 2.88Å; H348-T378 VanDerWaalsContact CE1-OG1 3.23Å; H348-T378 PolarHBondContact NE2-OG1 3.23Å |
| 349 | C | 83.3 | Confident | 70.1 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.6 | 177.4 | -64 | 0 | 0 | 0 | 0 | 110.3 | I354 C374 Y376 Y377 T378 | C349-I354 HydrophobicContact CB-CD1 3.92Å; C349-I354 HydrophobicContact CB-CG1 3.62Å; C349-C374 HydrophobicContact CB-CB 3.78Å; C349-C374 WeakPolarHBondContact CB-SG 3.26Å; C349-C374 WeakPolarHBondContact SG-CA 3.28Å; C349-C374 WeakPolarHBondContact SG-CB 3.42Å; C349-C374 CovalentContact SG-SG 2.02Å; C349-C374 PolarHBondContact SG-SG 3.01Å; C349-Y376 PolarHBondContact N-O 3.33Å; C349-Y377 HydrophobicContact CB-CD2 4.1Å; C349-Y377 CarbonylContact O-C 2.76Å; C349-Y377 VanDerWaalsContact O-CA 3.26Å; C349-Y377 WeakPolarHBondContact O-CA 3.41Å; C349-T378 PolarHBondContact O-N 3.01Å |
| 350 | K | 80.5 | Confident | 68.9 | Low | 64 Ų | 64 | 50 Ų | 50 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 160.3 | 166.3 | -65 | -167.8 | 172.4 | -164.5 | 0 | 109.3 | E324 E352 T353 I354 T378 | E324-K350 WeakPolarHBondContact OE1-CE 3.48Å; E324-K350 IonicContact OE1-NZ 3.83Å; E324-K350 PolarHBondContact OE1-NZ 2.91Å; E324-K350 IonicContact OE2-NZ 2.74Å; K350-E352 HydrophobicContact CB-CG 4.46Å; K350-E352 PolarHBondContact O-N 2.77Å; K350-T353 HydrophobicContact CB-CG2 4.23Å; K350-T353 PolarHBondContact N-OG1 3.05Å; K350-T353 CarbonylContact O-C 3.29Å; K350-T353 WeakPolarHBondContact O-CA 3.43Å; K350-T353 PolarHBondContact O-N 3.04Å; K350-T353 PolarHBondContact O-OG1 3.19Å; K350-I354 PolarHBondContact O-N 3.33Å; K350-I354 VanDerWaalsContact O-N 3.1Å; K350-T378 CarbonylContact C-O 3.15Å |
| 351 | E | 78.3 | Confident | 68.9 | Low | 15 Ų | 15 | 48.6 Ų | 48.6 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -45.2 | -51 | 168.7 | -144.5 | 165.6 | 167.4 | 0 | 0 | 109.9 | T353 I354 F355 V356 N361 T378 G379 Q1326 Y1327 | E351-T353 PolarHBondContact O-N 2.88Å; E351-T353 VanDerWaalsContact O-N 3.17Å; E351-I354 PolarHBondContact O-N 3.18Å; E351-F355 CarbonylContact O-C 3.47Å; E351-F355 WeakPolarHBondContact O-CA 3.26Å; E351-F355 WeakPolarHBondContact O-CB 3.2Å; E351-F355 PolarHBondContact O-N 2.82Å; E351-V356 PolarHBondContact O-N 2.8Å; E351-N361 VanDerWaalsContact CD-ND2 3.31Å; E351-N361 WeakPolarHBondContact CG-ND2 3.47Å; E351-N361 PolarHBondContact OE1-ND2 3.47Å; E351-T378 WeakPolarHBondContact CB-O 3.38Å; E351-T378 PolarHBondContact N-O 3.44Å; E351-G379 WeakPolarHBondContact OE2-CA 3.47Å; E351-Q1326 VanDerWaalsContact OE1-CD 3.31Å; E351-Q1326 VanDerWaalsContact OE1-CG 3.28Å; E351-Q1326 WeakPolarHBondContact OE1-CG 3.29Å; E351-Q1326 PolarHBondContact OE1-NE2 3.22Å; E351-Y1327 HydrophobicContact CB-CE1 4.44Å; E351-Y1327 WeakPolarHBondContact CB-OH 3.03Å; E351-Y1327 VanDerWaalsContact CD-OH 3.25Å; E351-Y1327 HydrophobicContact CG-CE1 4.14Å; E351-Y1327 WeakPolarHBondContact CG-OH 3.43Å; E351-Y1327 WeakPolarHBondContact OE1-CE1 3.3Å; E351-Y1327 WeakPolarHBondContact OE2-CE1 3.05Å |
| 352 | E | 74.9 | Confident | 69.3 | Low | 96 Ų | 96 | 46.2 Ų | 46.2 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.1 | -14.6 | 176.6 | -23.2 | -174 | 166.8 | 0 | 0 | 114.5 | K350 V356 L1152 | K350-E352 HydrophobicContact CB-CG 4.46Å; K350-E352 PolarHBondContact O-N 2.77Å; E352-V356 WeakPolarHBondContact O-CA 3.29Å; E352-V356 WeakPolarHBondContact O-CB 3.26Å; E352-V356 WeakPolarHBondContact O-CG1 3.24Å; E352-V356 PolarHBondContact O-N 3.11Å; E352-L1152 HydrophobicContact CB-CD2 4Å; E352-L1152 HydrophobicContact CG-CD2 3.62Å |
| 353 | T | 77.6 | Confident | 70.2 | Confident | 74 Ų | 74 | 35.6 Ų | 35.6 | 45% | 0.454 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -112.4 | 4.1 | 179.4 | 76 | 0 | 0 | 0 | 0 | 113.9 | K350 E351 V356 | K350-T353 HydrophobicContact CB-CG2 4.23Å; K350-T353 PolarHBondContact N-OG1 3.05Å; K350-T353 CarbonylContact O-C 3.29Å; K350-T353 WeakPolarHBondContact O-CA 3.43Å; K350-T353 PolarHBondContact O-N 3.04Å; K350-T353 PolarHBondContact O-OG1 3.19Å; E351-T353 PolarHBondContact O-N 2.88Å; E351-T353 VanDerWaalsContact O-N 3.17Å; T353-V356 WeakPolarHBondContact O-CG2 3.29Å |
| 354 | I | 83.5 | Confident | 71.3 | Confident | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -125.7 | -57.7 | 172.5 | -61.1 | -63.4 | 0 | 0 | 0 | 110.6 | C349 K350 E351 V356 K370 F371 C374 Y377 | C349-I354 HydrophobicContact CB-CD1 3.92Å; C349-I354 HydrophobicContact CB-CG1 3.62Å; K350-I354 PolarHBondContact O-N 3.33Å; K350-I354 VanDerWaalsContact O-N 3.1Å; E351-I354 PolarHBondContact O-N 3.18Å; I354-V356 PolarHBondContact O-N 2.82Å; I354-K370 HydrophobicContact CD1-CB 3.68Å; I354-K370 HydrophobicContact CG2-CB 4.18Å; I354-K370 WeakPolarHBondContact O-CD 3.38Å; I354-K370 PolarHBondContact O-NZ 2.68Å; I354-F371 HydrophobicContact CB-CE2 4.38Å; I354-F371 HydrophobicContact CB-CZ 4.24Å; I354-F371 HydrophobicContact CG1-CD1 4.49Å; I354-F371 HydrophobicContact CG1-CE1 4.26Å; I354-F371 HydrophobicContact CG1-CZ 4.41Å; I354-F371 HydrophobicContact CG2-CD1 4.34Å; I354-F371 HydrophobicContact CG2-CD2 3.54Å; I354-F371 HydrophobicContact CG2-CE1 4.13Å; I354-F371 HydrophobicContact CG2-CE2 3.28Å; I354-F371 HydrophobicContact CG2-CG 4.06Å; I354-F371 HydrophobicContact CG2-CZ 3.59Å; I354-C374 WeakPolarHBondContact CD1-SG 3.33Å; I354-Y377 HydrophobicContact CB-CE2 4.38Å; I354-Y377 HydrophobicContact CG1-CD2 4.49Å; I354-Y377 HydrophobicContact CG1-CE2 4.34Å |
| 355 | F | 79.6 | Confident | 72.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -83.5 | 37.5 | 152.7 | -47.9 | -83 | 0 | 0 | 0 | 108.9 | E351 N357 G358 S359 N361 L363 S367 F371 Y377 | E351-F355 CarbonylContact O-C 3.47Å; E351-F355 WeakPolarHBondContact O-CA 3.26Å; E351-F355 WeakPolarHBondContact O-CB 3.2Å; E351-F355 PolarHBondContact O-N 2.82Å; F355-N357 VanDerWaalsContact C-N 3.31Å; F355-N357 CarbonylContact O-C 3.58Å; F355-N357 PolarHBondContact O-N 3.45Å; F355-G358 VanDerWaalsContact O-CA 3.24Å; F355-G358 WeakPolarHBondContact O-CA 3.39Å; F355-G358 PolarHBondContact O-N 3.27Å; F355-S359 PolarHBondContact O-N 2.84Å; F355-N361 WeakPolarHBondContact CB-OD1 3.46Å; F355-N361 HydrophobicContact CD1-CB 4.21Å; F355-N361 HydrophobicContact CD2-CB 3.84Å; F355-N361 WeakPolarHBondContact CD2-OD1 3.36Å; F355-N361 VanDerWaalsContact CE1-C 3.47Å; F355-N361 VanDerWaalsContact CE1-CA 3.47Å; F355-N361 HydrophobicContact CE1-CB 4.13Å; F355-N361 WeakPolarHBondContact CE1-O 3.35Å; F355-N361 HydrophobicContact CE2-CB 3.77Å; F355-N361 HydrophobicContact CG-CB 4.04Å; F355-N361 WeakPolarHBondContact CG-OD1 3.48Å; F355-N361 HydrophobicContact CZ-CB 3.9Å; F355-N361 WeakPolarHBondContact CZ-O 3.3Å; F355-L363 HydrophobicContact CZ-CD2 3.82Å; F355-L363 HydrophobicContact CZ-CG 4.15Å; F355-S367 WeakPolarHBondContact CD1-OG 3.4Å; F355-S367 VanDerWaalsContact CE1-CB 3.48Å; F355-S367 VanDerWaalsContact CE1-OG 3.23Å; F355-S367 WeakPolarHBondContact CE1-OG 3.23Å; F355-F371 AromaticContact CE2-CE2 3.73Å; F355-F371 HydrophobicContact CE2-CE2 3.73Å; F355-F371 AromaticContact CE2-CZ 3.89Å; F355-F371 HydrophobicContact CE2-CZ 3.89Å; F355-F371 AromaticContact CZ-CE2 3.9Å; F355-F371 HydrophobicContact CZ-CE2 3.9Å; F355-F371 HydrophobicContact CZ-CZ 4.49Å; F355-Y377 VanDerWaalsContact CD2-OH 3.26Å; F355-Y377 WeakPolarHBondContact CD2-OH 3.19Å; F355-Y377 VanDerWaalsContact CE2-OH 3.28Å; F355-Y377 WeakPolarHBondContact CE2-OH 3.46Å |
| 356 | V | 60.5 | Low | 73.6 | Confident | 43 Ų | 43 | 28.7 Ų | 28.7 | 26% | 0.261 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -36.2 | 111.8 | 137.1 | -129.9 | 0 | 0 | 0 | 0 | 104.3 | E351 E352 T353 I354 K370 E1189 | E351-V356 PolarHBondContact O-N 2.8Å; E352-V356 WeakPolarHBondContact O-CA 3.29Å; E352-V356 WeakPolarHBondContact O-CB 3.26Å; E352-V356 WeakPolarHBondContact O-CG1 3.24Å; E352-V356 PolarHBondContact O-N 3.11Å; T353-V356 WeakPolarHBondContact O-CG2 3.29Å; I354-V356 PolarHBondContact O-N 2.82Å; V356-K370 HydrophobicContact CG2-CD 3.99Å; V356-K370 PolarHBondContact O-NZ 3.16Å; V356-E1189 HydrophobicContact CB-CG 3.4Å; V356-E1189 VanDerWaalsContact CB-CG 3.4Å; V356-E1189 WeakPolarHBondContact CB-OE1 3.15Å; V356-E1189 HydrophobicContact CG1-CB 4.16Å; V356-E1189 HydrophobicContact CG1-CG 3.49Å; V356-E1189 VanDerWaalsContact CG1-CG 3.49Å; V356-E1189 WeakPolarHBondContact O-CG 3.04Å |
| 357 | N | 50.4 | Low | 74.6 | Confident | 29 Ų | 29 | 26.7 Ų | 26.7 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 133 | -20.1 | -168.5 | -77.8 | -26.5 | 0 | 0 | 0 | 110.6 | F355 S359 T1153 R1188 E1189 | F355-N357 VanDerWaalsContact C-N 3.31Å; F355-N357 CarbonylContact O-C 3.58Å; F355-N357 PolarHBondContact O-N 3.45Å; N357-S359 VanDerWaalsContact CB-N 3.25Å; N357-S359 WeakPolarHBondContact CB-OG 3.44Å; N357-S359 PolarHBondContact ND2-OG 3.21Å; N357-S359 PolarHBondContact O-N 2.91Å; N357-T1153 WeakPolarHBondContact O-CG2 3.43Å; N357-T1153 PolarHBondContact O-OG1 2.95Å; N357-R1188 VanDerWaalsContact CA-C 3.41Å; N357-R1188 WeakPolarHBondContact CA-O 3.48Å; N357-R1188 HydrophobicContact CB-CB 3.83Å; N357-R1188 HydrophobicContact CB-CG 3.78Å; N357-R1188 WeakPolarHBondContact O-CG 3.5Å; N357-R1188 PolarHBondContact O-NE 2.68Å; N357-R1188 WeakPolarHBondContact OD1-CA 3.34Å; N357-R1188 WeakPolarHBondContact OD1-CB 3.3Å; N357-R1188 PolarHBondContact OD1-N 3.07Å; N357-E1189 HydrophobicContact CB-CG 4.3Å; N357-E1189 VanDerWaalsContact OD1-CG 3.29Å; N357-E1189 WeakPolarHBondContact OD1-CG 3.37Å; N357-E1189 PolarHBondContact OD1-N 3.36Å |
| 358 | G | 49.7 | Very low | 75.4 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.1 | 48.4 | -141.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | F355 N1150 T1153 R1188 | F355-G358 VanDerWaalsContact O-CA 3.24Å; F355-G358 WeakPolarHBondContact O-CA 3.39Å; F355-G358 PolarHBondContact O-N 3.27Å; G358-N1150 PolarHBondContact O-ND2 2.02Å; G358-N1150 PolarHBondContact O-OD1 3.13Å; G358-T1153 PolarHBondContact O-OG1 3.37Å; G358-R1188 VanDerWaalsContact O-CZ 3.3Å; G358-R1188 PolarHBondContact O-NE 3.36Å; G358-R1188 PolarHBondContact O-NH2 2.96Å |
| 359 | S | 49 | Very low | 76.1 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -57 | 147.2 | 175.5 | -92.8 | 0 | 0 | 0 | 0 | 107.5 | F355 N357 N361 N1150 Q1326 | F355-S359 PolarHBondContact O-N 2.84Å; N357-S359 VanDerWaalsContact CB-N 3.25Å; N357-S359 WeakPolarHBondContact CB-OG 3.44Å; N357-S359 PolarHBondContact ND2-OG 3.21Å; N357-S359 PolarHBondContact O-N 2.91Å; S359-N361 PolarHBondContact O-N 2.97Å; S359-N361 PolarHBondContact O-OD1 3.27Å; S359-N361 VanDerWaalsContact O-OD1 3.08Å; S359-N1150 PolarHBondContact O-ND2 3.11Å; S359-Q1326 PolarHBondContact O-NE2 3.17Å; S359-Q1326 PolarHBondContact O-OE1 3.06Å |
| 360 | L | 57.4 | Low | 76.3 | Confident | 18 Ų | 18 | 30.1 Ų | 30.1 | 9% | 0.094 | 15% | 0.148 | C | C | . | . | trans | -53.1 | 121.4 | 158.8 | -110.4 | -168.9 | 0 | 0 | 0 | 105 | I362 F394 D1147 E1148 R1188 G1324 Q1326 | L360-I362 HydrophobicContact CB-CD1 4.38Å; L360-I362 HydrophobicContact CD1-CD1 4.13Å; L360-I362 PolarHBondContact O-N 3.36Å; L360-F394 HydrophobicContact CB-CE1 4.12Å; L360-F394 HydrophobicContact CB-CZ 3.73Å; L360-F394 HydrophobicContact CD1-CZ 4.3Å; L360-D1147 WeakPolarHBondContact CD1-O 3.32Å; L360-E1148 VanDerWaalsContact CB-O 3.25Å; L360-E1148 WeakPolarHBondContact CB-O 3.49Å; L360-E1148 VanDerWaalsContact CG-O 3.26Å; L360-E1148 WeakPolarHBondContact CG-O 3.4Å; L360-E1148 PolarHBondContact N-O 2.71Å; L360-R1188 VanDerWaalsContact N-NH2 3.11Å; L360-G1324 WeakPolarHBondContact CD2-O 3.25Å; L360-Q1326 VanDerWaalsContact CA-OE1 3.3Å | ||
| 361 | N | 72.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -69.8 | 20.3 | -165.2 | -77.5 | 0.6 | 0 | 0 | 0 | 114.8 | E351 F355 S359 L363 Y377 G380 Y382 Q1326 | E351-N361 VanDerWaalsContact CD-ND2 3.31Å; E351-N361 WeakPolarHBondContact CG-ND2 3.47Å; E351-N361 PolarHBondContact OE1-ND2 3.47Å; F355-N361 WeakPolarHBondContact CB-OD1 3.46Å; F355-N361 HydrophobicContact CD1-CB 4.21Å; F355-N361 HydrophobicContact CD2-CB 3.84Å; F355-N361 WeakPolarHBondContact CD2-OD1 3.36Å; F355-N361 VanDerWaalsContact CE1-C 3.47Å; F355-N361 VanDerWaalsContact CE1-CA 3.47Å; F355-N361 HydrophobicContact CE1-CB 4.13Å; F355-N361 WeakPolarHBondContact CE1-O 3.35Å; F355-N361 HydrophobicContact CE2-CB 3.77Å; F355-N361 HydrophobicContact CG-CB 4.04Å; F355-N361 WeakPolarHBondContact CG-OD1 3.48Å; F355-N361 HydrophobicContact CZ-CB 3.9Å; F355-N361 WeakPolarHBondContact CZ-O 3.3Å; S359-N361 PolarHBondContact O-N 2.97Å; S359-N361 PolarHBondContact O-OD1 3.27Å; S359-N361 VanDerWaalsContact O-OD1 3.08Å; N361-L363 PolarHBondContact O-N 3.12Å; N361-L363 VanDerWaalsContact O-N 3.15Å; N361-Y377 PolarHBondContact ND2-OH 2.69Å; N361-G380 PolarHBondContact ND2-O 3.26Å; N361-Y382 HydrophobicContact CB-CD2 3.19Å; N361-Y382 HydrophobicContact CB-CE2 3.51Å; N361-Y382 HydrophobicContact CB-CG 4.19Å; N361-Y382 WeakPolarHBondContact O-CB 3.22Å; N361-Y382 PolarHBondContact O-N 3.32Å; N361-Q1326 VanDerWaalsContact CG-OE1 3.29Å; N361-Q1326 PolarHBondContact ND2-NE2 3.3Å; N361-Q1326 VanDerWaalsContact ND2-NE2 3.18Å; N361-Q1326 PolarHBondContact OD1-NE2 3.01Å; N361-Q1326 PolarHBondContact OD1-OE1 3.26Å | ||
| 362 | I | 83.3 | Confident | 77.1 | Confident | 18 Ų | 18 | 32.5 Ų | 32.5 | 9% | 0.092 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -54.3 | 114.4 | 163.9 | -71.9 | 165.5 | 0 | 0 | 0 | 107.1 | L360 Q364 Y382 S384 E386 S387 F394 | L360-I362 HydrophobicContact CB-CD1 4.38Å; L360-I362 HydrophobicContact CD1-CD1 4.13Å; L360-I362 PolarHBondContact O-N 3.36Å; I362-Q364 PolarHBondContact O-N 3.34Å; I362-Y382 CarbonylContact C-O 3.55Å; I362-Y382 WeakPolarHBondContact CA-O 3.39Å; I362-S384 WeakPolarHBondContact CD1-OG 3.32Å; I362-E386 HydrophobicContact CG2-CB 4.16Å; I362-S387 VanDerWaalsContact CG2-OG 3.32Å; I362-S387 WeakPolarHBondContact CG2-OG 3.4Å; I362-F394 HydrophobicContact CB-CD1 4.09Å; I362-F394 HydrophobicContact CB-CE1 3.62Å; I362-F394 HydrophobicContact CB-CZ 3.9Å; I362-F394 HydrophobicContact CD1-CE1 4.1Å; I362-F394 HydrophobicContact CD1-CE2 3.74Å; I362-F394 HydrophobicContact CD1-CZ 3.43Å; I362-F394 VanDerWaalsContact CD1-CZ 3.43Å; I362-F394 HydrophobicContact CG1-CE1 4.4Å; I362-F394 HydrophobicContact CG1-CZ 4.19Å; I362-F394 HydrophobicContact CG2-CD1 3.82Å; I362-F394 HydrophobicContact CG2-CD2 4.49Å; I362-F394 HydrophobicContact CG2-CE1 3.86Å; I362-F394 HydrophobicContact CG2-CE2 4.5Å; I362-F394 HydrophobicContact CG2-CG 4.14Å; I362-F394 HydrophobicContact CG2-CZ 4.2Å |
| 363 | L | 88.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -63.1 | 131.7 | -177.2 | -78.7 | 159.4 | 0 | 0 | 0 | 109.6 | F355 N361 L368 F371 L381 Y382 I383 S387 I398 L407 F419 | F355-L363 HydrophobicContact CZ-CD2 3.82Å; F355-L363 HydrophobicContact CZ-CG 4.15Å; N361-L363 PolarHBondContact O-N 3.12Å; N361-L363 VanDerWaalsContact O-N 3.15Å; L363-L368 HydrophobicContact CD2-CD2 3.86Å; L363-L368 HydrophobicContact CD2-CG 4.2Å; L363-F371 HydrophobicContact CD2-CD2 3.72Å; L363-F371 HydrophobicContact CD2-CE2 3.42Å; L363-F371 VanDerWaalsContact CD2-CE2 3.42Å; L363-F371 HydrophobicContact CD2-CZ 4.49Å; L363-L381 HydrophobicContact CD1-CB 4.35Å; L363-L381 HydrophobicContact CD1-CD2 4.46Å; L363-L381 HydrophobicContact CD2-CD2 4.46Å; L363-Y382 WeakPolarHBondContact CB-O 3.36Å; L363-Y382 WeakPolarHBondContact CD1-O 3.4Å; L363-Y382 VanDerWaalsContact CG-O 3.29Å; L363-Y382 WeakPolarHBondContact CG-O 3.29Å; L363-Y382 PolarHBondContact N-O 3.37Å; L363-I383 HydrophobicContact CB-CG1 4.21Å; L363-I383 HydrophobicContact CD1-CD1 4.22Å; L363-I383 HydrophobicContact CD1-CG1 3.7Å; L363-S387 PolarHBondContact N-OG 3.07Å; L363-S387 WeakPolarHBondContact O-CA 3.43Å; L363-S387 WeakPolarHBondContact O-CB 3.35Å; L363-S387 PolarHBondContact O-OG 3.01Å; L363-I398 HydrophobicContact CB-CD1 4.44Å; L363-L407 HydrophobicContact CD1-CD1 3.88Å; L363-L407 HydrophobicContact CD2-CD2 4.21Å; L363-F419 HydrophobicContact CD1-CE1 4.35Å | ||
| 364 | Q | 87.2 | Confident | 77.9 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | trans | -127.4 | 162.5 | -179.5 | -70.7 | -161.6 | -82.5 | 0 | 0 | 109.2 | I362 S366 S367 L368 F394 D396 | I362-Q364 PolarHBondContact O-N 3.34Å; Q364-S366 VanDerWaalsContact CB-OG 3.32Å; Q364-S366 WeakPolarHBondContact CB-OG 3.03Å; Q364-S366 PolarHBondContact O-N 3.35Å; Q364-S366 VanDerWaalsContact O-N 3.11Å; Q364-S367 PolarHBondContact O-N 3.28Å; Q364-L368 VanDerWaalsContact O-CB 3.3Å; Q364-L368 WeakPolarHBondContact O-CB 3.33Å; Q364-L368 VanDerWaalsContact O-CG 3.25Å; Q364-L368 WeakPolarHBondContact O-CG 3.12Å; Q364-L368 PolarHBondContact O-N 2.97Å; Q364-F394 HydrophobicContact CG-CB 4.44Å; Q364-F394 HydrophobicContact CG-CD1 4.07Å; Q364-D396 WeakPolarHBondContact CB-O 3.28Å; Q364-D396 VanDerWaalsContact NE2-N 3.19Å | ||
| 365 | S | 88.4 | Confident | 78 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.1 | -30.2 | 170.8 | -73.1 | 0 | 0 | 0 | 0 | 112.4 | R369 D396 P397 E403 | S365-R369 WeakPolarHBondContact O-CB 3.3Å; S365-R369 VanDerWaalsContact O-CG 3.25Å; S365-R369 WeakPolarHBondContact O-CG 3.3Å; S365-R369 PolarHBondContact O-N 3.32Å; S365-R369 VanDerWaalsContact O-N 3.17Å; S365-R369 PolarHBondContact O-NE 2.84Å; S365-D396 VanDerWaalsContact CB-OD2 3.29Å; S365-D396 WeakPolarHBondContact CB-OD2 3.28Å; S365-D396 PolarHBondContact N-O 3.45Å; S365-P397 PolarHBondContact OG-O 3.02Å; S365-P397 VanDerWaalsContact OG-O 3.11Å; S365-E403 WeakPolarHBondContact CB-OE2 3.41Å; S365-E403 PolarHBondContact OG-OE1 2.96Å; S365-E403 PolarHBondContact OG-OE2 3.42Å |
| 366 | S | 85.6 | Confident | 78.1 | Confident | 39 Ų | 39 | 30.9 Ų | 30.9 | 27% | 0.273 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -69.1 | -55.1 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 112 | Q364 L368 R369 K370 D396 | Q364-S366 VanDerWaalsContact CB-OG 3.32Å; Q364-S366 WeakPolarHBondContact CB-OG 3.03Å; Q364-S366 PolarHBondContact O-N 3.35Å; Q364-S366 VanDerWaalsContact O-N 3.11Å; S366-L368 PolarHBondContact O-N 3.47Å; S366-R369 PolarHBondContact O-N 2.82Å; S366-K370 PolarHBondContact O-N 2.92Å; S366-D396 WeakPolarHBondContact CA-OD2 3.44Å; S366-D396 WeakPolarHBondContact CB-OD2 3.03Å; S366-D396 PolarHBondContact N-OD2 2.04Å |
| 367 | S | 88.6 | Confident | 79.2 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 178.4 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | F355 Q364 R369 K370 F371 | F355-S367 WeakPolarHBondContact CD1-OG 3.4Å; F355-S367 VanDerWaalsContact CE1-CB 3.48Å; F355-S367 VanDerWaalsContact CE1-OG 3.23Å; F355-S367 WeakPolarHBondContact CE1-OG 3.23Å; Q364-S367 PolarHBondContact O-N 3.28Å; S367-R369 VanDerWaalsContact C-N 3.34Å; S367-R369 PolarHBondContact O-N 3.09Å; S367-K370 CarbonylContact O-C 3.56Å; S367-K370 WeakPolarHBondContact O-CA 3.39Å; S367-K370 WeakPolarHBondContact O-CB 3.43Å; S367-K370 PolarHBondContact O-N 2.79Å; S367-K370 VanDerWaalsContact O-N 3.09Å; S367-F371 VanDerWaalsContact O-CD2 3.3Å; S367-F371 WeakPolarHBondContact O-CD2 3.43Å; S367-F371 PolarHBondContact O-N 2.7Å |
| 368 | L | 89.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -40.7 | 175.4 | -73.2 | 167.6 | 0 | 0 | 0 | 111.9 | L363 Q364 S366 K370 F371 K372 I398 E403 L404 N406 L407 | L363-L368 HydrophobicContact CD2-CD2 3.86Å; L363-L368 HydrophobicContact CD2-CG 4.2Å; Q364-L368 VanDerWaalsContact O-CB 3.3Å; Q364-L368 WeakPolarHBondContact O-CB 3.33Å; Q364-L368 VanDerWaalsContact O-CG 3.25Å; Q364-L368 WeakPolarHBondContact O-CG 3.12Å; Q364-L368 PolarHBondContact O-N 2.97Å; S366-L368 PolarHBondContact O-N 3.47Å; L368-K370 VanDerWaalsContact C-N 3.26Å; L368-K370 PolarHBondContact O-N 2.66Å; L368-F371 WeakPolarHBondContact O-CB 3.2Å; L368-F371 PolarHBondContact O-N 3.33Å; L368-F371 VanDerWaalsContact O-N 3.09Å; L368-K372 PolarHBondContact O-N 3.44Å; L368-I398 HydrophobicContact CD1-CD1 3.64Å; L368-I398 HydrophobicContact CD1-CG1 3.67Å; L368-E403 HydrophobicContact CD1-CB 4.17Å; L368-L404 HydrophobicContact CD1-CD2 4.32Å; L368-L404 HydrophobicContact CD2-CD2 4.49Å; L368-N406 HydrophobicContact CB-CB 4.36Å; L368-N406 WeakPolarHBondContact O-CB 3.31Å; L368-L407 HydrophobicContact CD2-CD1 3.77Å; L368-L407 HydrophobicContact CD2-CD2 4.09Å; L368-L407 HydrophobicContact CD2-CG 3.6Å |
| 369 | R | 89 | Confident | 81.8 | Confident | 146 Ų | 146 | 28.3 Ų | 28.3 | 55% | 0.551 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -62.8 | -32.2 | 174.1 | -79.8 | 175.9 | -76.7 | -169.6 | -6.7 | 112.9 | S365 S366 S367 D396 | S365-R369 WeakPolarHBondContact O-CB 3.3Å; S365-R369 VanDerWaalsContact O-CG 3.25Å; S365-R369 WeakPolarHBondContact O-CG 3.3Å; S365-R369 PolarHBondContact O-N 3.32Å; S365-R369 VanDerWaalsContact O-N 3.17Å; S365-R369 PolarHBondContact O-NE 2.84Å; S366-R369 PolarHBondContact O-N 2.82Å; S367-R369 VanDerWaalsContact C-N 3.34Å; S367-R369 PolarHBondContact O-N 3.09Å; R369-D396 IonicContact CZ-OD2 2.72Å; R369-D396 IonicContact NH2-OD1 3.43Å; R369-D396 PolarHBondContact NH2-OD1 3.48Å; R369-D396 IonicContact NH2-OD2 3.17Å; R369-D396 PolarHBondContact NH2-OD2 3.36Å |
| 370 | K | 87.7 | Confident | 83.4 | Confident | 67 Ų | 67 | 28.3 Ų | 28.3 | 29% | 0.291 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -72 | -35.4 | 171.3 | -61.1 | 172.7 | 177.4 | 178.9 | 0 | 111.8 | I354 V356 S366 S367 L368 K372 E1189 | I354-K370 HydrophobicContact CD1-CB 3.68Å; I354-K370 HydrophobicContact CG2-CB 4.18Å; I354-K370 WeakPolarHBondContact O-CD 3.38Å; I354-K370 PolarHBondContact O-NZ 2.68Å; V356-K370 HydrophobicContact CG2-CD 3.99Å; V356-K370 PolarHBondContact O-NZ 3.16Å; S366-K370 PolarHBondContact O-N 2.92Å; S367-K370 CarbonylContact O-C 3.56Å; S367-K370 WeakPolarHBondContact O-CA 3.39Å; S367-K370 WeakPolarHBondContact O-CB 3.43Å; S367-K370 PolarHBondContact O-N 2.79Å; S367-K370 VanDerWaalsContact O-N 3.09Å; L368-K370 VanDerWaalsContact C-N 3.26Å; L368-K370 PolarHBondContact O-N 2.66Å; K370-K372 PolarHBondContact O-N 2.8Å; K370-E1189 IonicContact NZ-OE1 2.82Å; K370-E1189 PolarHBondContact NZ-OE1 2.99Å |
| 371 | F | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -19.1 | 179.4 | -90.6 | -66 | 0 | 0 | 0 | 115.6 | I354 F355 L363 S367 L368 S373 C374 Y377 L381 N406 L407 L410 | I354-F371 HydrophobicContact CB-CE2 4.38Å; I354-F371 HydrophobicContact CB-CZ 4.24Å; I354-F371 HydrophobicContact CG1-CD1 4.49Å; I354-F371 HydrophobicContact CG1-CE1 4.26Å; I354-F371 HydrophobicContact CG1-CZ 4.41Å; I354-F371 HydrophobicContact CG2-CD1 4.34Å; I354-F371 HydrophobicContact CG2-CD2 3.54Å; I354-F371 HydrophobicContact CG2-CE1 4.13Å; I354-F371 HydrophobicContact CG2-CE2 3.28Å; I354-F371 HydrophobicContact CG2-CG 4.06Å; I354-F371 HydrophobicContact CG2-CZ 3.59Å; F355-F371 AromaticContact CE2-CE2 3.73Å; F355-F371 HydrophobicContact CE2-CE2 3.73Å; F355-F371 AromaticContact CE2-CZ 3.89Å; F355-F371 HydrophobicContact CE2-CZ 3.89Å; F355-F371 AromaticContact CZ-CE2 3.9Å; F355-F371 HydrophobicContact CZ-CE2 3.9Å; F355-F371 HydrophobicContact CZ-CZ 4.49Å; L363-F371 HydrophobicContact CD2-CD2 3.72Å; L363-F371 HydrophobicContact CD2-CE2 3.42Å; L363-F371 VanDerWaalsContact CD2-CE2 3.42Å; L363-F371 HydrophobicContact CD2-CZ 4.49Å; S367-F371 VanDerWaalsContact O-CD2 3.3Å; S367-F371 WeakPolarHBondContact O-CD2 3.43Å; S367-F371 PolarHBondContact O-N 2.7Å; L368-F371 WeakPolarHBondContact O-CB 3.2Å; L368-F371 PolarHBondContact O-N 3.33Å; L368-F371 VanDerWaalsContact O-N 3.09Å; F371-S373 PolarHBondContact O-N 3.21Å; F371-C374 HydrophobicContact CD1-CB 4.07Å; F371-C374 WeakPolarHBondContact O-CB 3.05Å; F371-C374 PolarHBondContact O-N 3.19Å; F371-Y377 HydrophobicContact CE1-CD1 4.17Å; F371-Y377 AromaticContact CE1-CD2 3.66Å; F371-Y377 HydrophobicContact CE1-CD2 3.66Å; F371-Y377 HydrophobicContact CE1-CE1 4.42Å; F371-Y377 AromaticContact CE1-CE2 3.94Å; F371-Y377 HydrophobicContact CE1-CE2 3.94Å; F371-Y377 AromaticContact CE1-CG 3.79Å; F371-Y377 HydrophobicContact CE1-CG 3.79Å; F371-Y377 HydrophobicContact CZ-CD1 4.28Å; F371-Y377 AromaticContact CZ-CD2 3.99Å; F371-Y377 HydrophobicContact CZ-CD2 3.99Å; F371-Y377 HydrophobicContact CZ-CE1 4.08Å; F371-Y377 AromaticContact CZ-CE2 3.77Å; F371-Y377 HydrophobicContact CZ-CE2 3.77Å; F371-Y377 HydrophobicContact CZ-CG 4.24Å; F371-Y377 AromaticContact CZ-CZ 3.83Å; F371-L381 HydrophobicContact CE1-CD2 3.88Å; F371-L381 HydrophobicContact CE2-CD2 3.82Å; F371-L381 HydrophobicContact CZ-CD2 3.27Å; F371-N406 CarbonylContact C-O 3.44Å; F371-L407 HydrophobicContact CB-CD2 3.95Å; F371-L407 HydrophobicContact CD1-CD2 3.83Å; F371-L407 HydrophobicContact CD2-CD2 3.59Å; F371-L407 HydrophobicContact CE1-CD2 4.23Å; F371-L407 HydrophobicContact CE2-CD2 4.02Å; F371-L407 HydrophobicContact CG-CD2 3.51Å; F371-L407 HydrophobicContact CZ-CD2 4.33Å; F371-L410 HydrophobicContact CD1-CD1 3.96Å; F371-L410 HydrophobicContact CD1-CD2 4.2Å; F371-L410 HydrophobicContact CD1-CG 4.4Å; F371-L410 HydrophobicContact CE1-CD1 3.99Å; F371-L410 HydrophobicContact CE1-CD2 4.37Å |
| 372 | K | 85 | Confident | 85.6 | Confident | 129 Ų | 129 | 28.3 Ų | 28.3 | 56% | 0.561 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28 | -168.5 | -174.9 | 172.7 | 179.3 | 175 | 0 | 115.5 | L368 K370 N406 H409 | L368-K372 PolarHBondContact O-N 3.44Å; K370-K372 PolarHBondContact O-N 2.8Å; K372-N406 HydrophobicContact CB-CB 4.25Å; K372-H409 PolarHBondContact O-ND1 3.05Å |
| 373 | S | 81.7 | Confident | 86 | Confident | 58 Ų | 58 | 27.5 Ų | 27.5 | 41% | 0.406 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -7.6 | 177.8 | 47 | 0 | 0 | 0 | 0 | 114.3 | E347 F371 | E347-S373 VanDerWaalsContact CD-OG 3.26Å; E347-S373 PolarHBondContact OE1-OG 2.03Å; E347-S373 WeakPolarHBondContact OE2-CB 3.33Å; E347-S373 PolarHBondContact OE2-OG 2.9Å; F371-S373 PolarHBondContact O-N 3.21Å |
| 374 | C | 87 | Confident | 85.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -67.3 | 131.1 | -179.4 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | C349 I354 F371 H409 L410 | C349-C374 HydrophobicContact CB-CB 3.78Å; C349-C374 WeakPolarHBondContact CB-SG 3.26Å; C349-C374 WeakPolarHBondContact SG-CA 3.28Å; C349-C374 WeakPolarHBondContact SG-CB 3.42Å; C349-C374 CovalentContact SG-SG 2.02Å; C349-C374 PolarHBondContact SG-SG 3.01Å; I354-C374 WeakPolarHBondContact CD1-SG 3.33Å; F371-C374 HydrophobicContact CD1-CB 4.07Å; F371-C374 WeakPolarHBondContact O-CB 3.05Å; F371-C374 PolarHBondContact O-N 3.19Å; C374-H409 CarbonylContact O-C 3.1Å; C374-L410 HydrophobicContact CB-CD2 3.64Å | ||
| 375 | V | 85.9 | Confident | 85.8 | Confident | 36 Ų | 36 | 31.4 Ų | 31.4 | 22% | 0.218 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -108.7 | -37.1 | 170.8 | -177.1 | 0 | 0 | 0 | 0 | 111 | P346 E347 K411 | P346-V375 HydrophobicContact CB-CB 4.2Å; P346-V375 HydrophobicContact CB-CG2 4.26Å; E347-V375 PolarHBondContact O-N 2.84Å; E347-V375 VanDerWaalsContact O-N 3.12Å; V375-K411 HydrophobicContact CG1-CB 4.35Å; V375-K411 HydrophobicContact CG1-CD 3.94Å; V375-K411 HydrophobicContact CG1-CG 4.26Å; V375-K411 PolarHBondContact O-N 3.35Å |
| 376 | Y | 82.5 | Confident | 85.6 | Confident | 46 Ų | 46 | 33.1 Ų | 33.1 | 18% | 0.18 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.1 | 175.1 | -63.1 | -89.5 | 0 | 0 | 0 | 109.1 | P346 C349 | P346-Y376 HydrophobicContact CB-CD2 4.33Å; P346-Y376 HydrophobicContact CB-CE2 4.18Å; P346-Y376 HydrophobicContact CG-CE2 4.37Å; C349-Y376 PolarHBondContact N-O 3.33Å |
| 377 | Y | 84.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.6 | 177.8 | 177.9 | -117.6 | 0 | 0 | 0 | 111.7 | C349 I354 F355 N361 F371 G379 G380 L381 S412 I413 V414 | C349-Y377 HydrophobicContact CB-CD2 4.1Å; C349-Y377 CarbonylContact O-C 2.76Å; C349-Y377 VanDerWaalsContact O-CA 3.26Å; C349-Y377 WeakPolarHBondContact O-CA 3.41Å; I354-Y377 HydrophobicContact CB-CE2 4.38Å; I354-Y377 HydrophobicContact CG1-CD2 4.49Å; I354-Y377 HydrophobicContact CG1-CE2 4.34Å; F355-Y377 VanDerWaalsContact CD2-OH 3.26Å; F355-Y377 WeakPolarHBondContact CD2-OH 3.19Å; F355-Y377 VanDerWaalsContact CE2-OH 3.28Å; F355-Y377 WeakPolarHBondContact CE2-OH 3.46Å; N361-Y377 PolarHBondContact ND2-OH 2.69Å; F371-Y377 HydrophobicContact CE1-CD1 4.17Å; F371-Y377 AromaticContact CE1-CD2 3.66Å; F371-Y377 HydrophobicContact CE1-CD2 3.66Å; F371-Y377 HydrophobicContact CE1-CE1 4.42Å; F371-Y377 AromaticContact CE1-CE2 3.94Å; F371-Y377 HydrophobicContact CE1-CE2 3.94Å; F371-Y377 AromaticContact CE1-CG 3.79Å; F371-Y377 HydrophobicContact CE1-CG 3.79Å; F371-Y377 HydrophobicContact CZ-CD1 4.28Å; F371-Y377 AromaticContact CZ-CD2 3.99Å; F371-Y377 HydrophobicContact CZ-CD2 3.99Å; F371-Y377 HydrophobicContact CZ-CE1 4.08Å; F371-Y377 AromaticContact CZ-CE2 3.77Å; F371-Y377 HydrophobicContact CZ-CE2 3.77Å; F371-Y377 HydrophobicContact CZ-CG 4.24Å; F371-Y377 AromaticContact CZ-CZ 3.83Å; Y377-G379 WeakPolarHBondContact CE1-O 3.43Å; Y377-G380 WeakPolarHBondContact CE1-O 3.1Å; Y377-G380 PolarHBondContact OH-O 2.89Å; Y377-L381 HydrophobicContact CD1-CD2 3.84Å; Y377-L381 HydrophobicContact CD1-CG 4.2Å; Y377-L381 HydrophobicContact CE1-CD2 3.56Å; Y377-L381 HydrophobicContact CE1-CG 4.06Å; Y377-S412 PolarHBondContact N-O 2.98Å; Y377-I413 HydrophobicContact CD1-CG1 4.38Å; Y377-I413 HydrophobicContact CD1-CG2 4.23Å; Y377-I413 CarbonylContact O-C 3.57Å; Y377-I413 VanDerWaalsContact O-CA 3.31Å; Y377-I413 WeakPolarHBondContact O-CA 3.24Å; Y377-V414 PolarHBondContact O-N 2.75Å |
| 378 | T | 77.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 32 Ų | 32 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 115.4 | 168.3 | -62.9 | 0 | 0 | 0 | 0 | 109 | H348 C349 K350 E351 V414 | H348-T378 PolarHBondContact CE1-OG1 2.88Å; H348-T378 VanDerWaalsContact CE1-OG1 3.23Å; H348-T378 PolarHBondContact NE2-OG1 3.23Å; C349-T378 PolarHBondContact O-N 3.01Å; K350-T378 CarbonylContact C-O 3.15Å; E351-T378 WeakPolarHBondContact CB-O 3.38Å; E351-T378 PolarHBondContact N-O 3.44Å; T378-V414 CarbonylContact C-O 3.48Å; T378-V414 WeakPolarHBondContact CA-O 3.31Å; T378-V414 HydrophobicContact CG2-CB 4.3Å; T378-V414 HydrophobicContact CG2-CG1 4.32Å |
| 379 | G | 76.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 139.2 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E351 Y377 I413 V414 | E351-G379 WeakPolarHBondContact OE2-CA 3.47Å; Y377-G379 WeakPolarHBondContact CE1-O 3.43Å; G379-I413 WeakPolarHBondContact O-CG2 3.33Å; G379-V414 PolarHBondContact N-O 3.44Å |
| 380 | G | 82.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -85.8 | 146.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N361 Y377 Y382 Y416 | N361-G380 PolarHBondContact ND2-O 3.26Å; Y377-G380 WeakPolarHBondContact CE1-O 3.1Å; Y377-G380 PolarHBondContact OH-O 2.89Å; G380-Y382 VanDerWaalsContact CA-CE2 3.45Å; G380-Y382 WeakPolarHBondContact O-CD2 3.38Å; G380-Y382 WeakPolarHBondContact O-CE2 3.45Å; G380-Y416 CarbonylContact C-O 3.6Å; G380-Y416 WeakPolarHBondContact CA-O 3.01Å | ||
| 381 | L | 88.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.5 | 165.5 | -66.7 | -173.5 | 0 | 0 | 0 | 109.4 | L363 F371 Y377 L407 L410 I413 Y416 I417 Y418 F419 L434 | L363-L381 HydrophobicContact CD1-CB 4.35Å; L363-L381 HydrophobicContact CD1-CD2 4.46Å; L363-L381 HydrophobicContact CD2-CD2 4.46Å; F371-L381 HydrophobicContact CE1-CD2 3.88Å; F371-L381 HydrophobicContact CE2-CD2 3.82Å; F371-L381 HydrophobicContact CZ-CD2 3.27Å; Y377-L381 HydrophobicContact CD1-CD2 3.84Å; Y377-L381 HydrophobicContact CD1-CG 4.2Å; Y377-L381 HydrophobicContact CE1-CD2 3.56Å; Y377-L381 HydrophobicContact CE1-CG 4.06Å; L381-L407 HydrophobicContact CD1-CD2 4.28Å; L381-L407 HydrophobicContact CD2-CD2 4.24Å; L381-L410 HydrophobicContact CD1-CD1 4Å; L381-I413 HydrophobicContact CD1-CD1 3.44Å; L381-I413 VanDerWaalsContact CD1-CD1 3.44Å; L381-I413 HydrophobicContact CD1-CG1 4.45Å; L381-I413 HydrophobicContact CG-CD1 3.92Å; L381-Y416 PolarHBondContact N-O 3.26Å; L381-I417 HydrophobicContact CB-CG1 4.39Å; L381-I417 CarbonylContact O-C 3.11Å; L381-I417 WeakPolarHBondContact O-CA 3.39Å; L381-Y418 PolarHBondContact O-N 3.06Å; L381-F419 HydrophobicContact CB-CE1 4.35Å; L381-L434 HydrophobicContact CD1-CD1 4.16Å; L381-L434 HydrophobicContact CD1-CD2 4.19Å |
| 382 | Y | 88.9 | Confident | 83.3 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.3 | -179.5 | -50.8 | -116.8 | 0 | 0 | 0 | 109 | N361 I362 L363 G380 Y416 Y418 Q1326 | N361-Y382 HydrophobicContact CB-CD2 3.19Å; N361-Y382 HydrophobicContact CB-CE2 3.51Å; N361-Y382 HydrophobicContact CB-CG 4.19Å; N361-Y382 WeakPolarHBondContact O-CB 3.22Å; N361-Y382 PolarHBondContact O-N 3.32Å; I362-Y382 CarbonylContact C-O 3.55Å; I362-Y382 WeakPolarHBondContact CA-O 3.39Å; L363-Y382 WeakPolarHBondContact CB-O 3.36Å; L363-Y382 WeakPolarHBondContact CD1-O 3.4Å; L363-Y382 VanDerWaalsContact CG-O 3.29Å; L363-Y382 WeakPolarHBondContact CG-O 3.29Å; L363-Y382 PolarHBondContact N-O 3.37Å; G380-Y382 VanDerWaalsContact CA-CE2 3.45Å; G380-Y382 WeakPolarHBondContact O-CD2 3.38Å; G380-Y382 WeakPolarHBondContact O-CE2 3.45Å; Y382-Y416 HydrophobicContact CE1-CD2 4.47Å; Y382-Y416 AromaticContact CE1-CE2 3.7Å; Y382-Y416 HydrophobicContact CE1-CE2 3.7Å; Y382-Y416 AromaticContact CE1-CZ 3.97Å; Y382-Y416 AromaticContact CZ-CE2 3.82Å; Y382-Y416 AromaticContact CZ-CZ 3.73Å; Y382-Y416 WeakPolarHBondContact OH-CE1 3.43Å; Y382-Y416 WeakPolarHBondContact OH-CE2 3.37Å; Y382-Y416 PolarHBondContact OH-OH 3.4Å; Y382-Y418 CarbonylContact C-O 3.44Å; Y382-Y418 WeakPolarHBondContact CA-O 3.38Å; Y382-Y418 HydrophobicContact CD1-CD1 4.26Å; Y382-Y418 HydrophobicContact CD1-CG 4.17Å; Y382-Q1326 HydrophobicContact CE1-CB 4.25Å; Y382-Q1326 HydrophobicContact CE2-CB 3.67Å; Y382-Q1326 VanDerWaalsContact CZ-CB 3.43Å; Y382-Q1326 WeakPolarHBondContact OH-CA 3.09Å; Y382-Q1326 WeakPolarHBondContact OH-CB 3.32Å; Y382-Q1326 PolarHBondContact OH-O 3Å |
| 383 | I | 90.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.4 | 164.2 | -65.7 | 176.8 | 0 | 0 | 0 | 105.3 | L363 S387 F388 L404 Y418 F419 D420 L421 F433 | L363-I383 HydrophobicContact CB-CG1 4.21Å; L363-I383 HydrophobicContact CD1-CD1 4.22Å; L363-I383 HydrophobicContact CD1-CG1 3.7Å; I383-S387 WeakPolarHBondContact CA-OG 3.49Å; I383-F388 HydrophobicContact CG2-CD2 4.28Å; I383-F388 HydrophobicContact CG2-CE2 3.32Å; I383-F388 HydrophobicContact CG2-CZ 3.58Å; I383-L404 HydrophobicContact CD1-CD2 3.72Å; I383-Y418 PolarHBondContact N-O 3.49Å; I383-Y418 VanDerWaalsContact O-O 3.13Å; I383-F419 HydrophobicContact CB-CB 4.22Å; I383-F419 HydrophobicContact CB-CD1 3.6Å; I383-F419 HydrophobicContact CB-CE1 4.21Å; I383-F419 HydrophobicContact CB-CG 4.05Å; I383-F419 HydrophobicContact CD1-CD1 3.65Å; I383-F419 HydrophobicContact CD1-CD2 4.14Å; I383-F419 HydrophobicContact CD1-CE1 3.54Å; I383-F419 HydrophobicContact CD1-CE2 4.04Å; I383-F419 HydrophobicContact CD1-CG 3.96Å; I383-F419 HydrophobicContact CD1-CZ 3.74Å; I383-F419 HydrophobicContact CG1-CD1 3.48Å; I383-F419 VanDerWaalsContact CG1-CD1 3.48Å; I383-F419 HydrophobicContact CG1-CE1 3.55Å; I383-F419 HydrophobicContact CG1-CG 4.16Å; I383-F419 HydrophobicContact CG1-CZ 4.28Å; I383-F419 CarbonylContact O-C 3.49Å; I383-D420 PolarHBondContact O-N 2.96Å; I383-L421 HydrophobicContact CB-CD2 4.44Å; I383-L421 HydrophobicContact CG2-CD2 3.77Å; I383-F433 HydrophobicContact CD1-CE2 4.25Å; I383-F433 HydrophobicContact CD1-CZ 3.9Å |
| 384 | S | 87.9 | Confident | 81.9 | Confident | 12 Ų | 12 | 31.2 Ų | 31.2 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | trans | -139.1 | -179.6 | 171.2 | 71.5 | 0 | 0 | 0 | 0 | 110.1 | I362 E386 S387 D420 | I362-S384 WeakPolarHBondContact CD1-OG 3.32Å; S384-E386 VanDerWaalsContact CB-OE2 3.25Å; S384-E386 WeakPolarHBondContact CB-OE2 3.13Å; S384-E386 PolarHBondContact O-N 3.48Å; S384-E386 VanDerWaalsContact O-N 3.11Å; S384-E386 WeakPolarHBondContact OG-CB 3.45Å; S384-E386 PolarHBondContact OG-N 2.82Å; S384-E386 PolarHBondContact OG-OE2 3.01Å; S384-S387 PolarHBondContact N-OG 3.11Å; S384-S387 VanDerWaalsContact O-CB 3.24Å; S384-S387 WeakPolarHBondContact O-CB 3.41Å; S384-S387 PolarHBondContact O-N 3.5Å; S384-D420 CarbonylContact C-O 3.32Å; S384-D420 WeakPolarHBondContact CA-O 3.37Å | ||
| 385 | K | 85.6 | Confident | 81.4 | Confident | 78 Ų | 78 | 34.1 Ų | 34.1 | 34% | 0.339 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -52.9 | -31 | 168.7 | 63.5 | 174.3 | -170.9 | 173 | 0 | 112.1 | S387 F388 Q389 D420 R422 E423 | K385-S387 VanDerWaalsContact C-N 3.31Å; K385-S387 PolarHBondContact O-N 3.19Å; K385-F388 PolarHBondContact O-N 3.4Å; K385-Q389 WeakPolarHBondContact O-CB 3.34Å; K385-Q389 PolarHBondContact O-N 2.83Å; K385-D420 PolarHBondContact N-O 3.07Å; K385-R422 VanDerWaalsContact CA-O 3.24Å; K385-R422 WeakPolarHBondContact CA-O 3.46Å; K385-R422 HydrophobicContact CB-CB 3.93Å; K385-E423 HydrophobicContact CB-CB 4.2Å; K385-E423 HydrophobicContact CB-CG 3.89Å |
| 386 | E | 84.1 | Confident | 81.4 | Confident | 38 Ų | 38 | 34.6 Ų | 34.6 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.8 | -14.8 | 176.8 | -62.4 | 85.4 | 177.7 | 0 | 0 | 114.2 | I362 S384 F388 F394 | I362-E386 HydrophobicContact CG2-CB 4.16Å; S384-E386 VanDerWaalsContact CB-OE2 3.25Å; S384-E386 WeakPolarHBondContact CB-OE2 3.13Å; S384-E386 PolarHBondContact O-N 3.48Å; S384-E386 VanDerWaalsContact O-N 3.11Å; S384-E386 WeakPolarHBondContact OG-CB 3.45Å; S384-E386 PolarHBondContact OG-N 2.82Å; S384-E386 PolarHBondContact OG-OE2 3.01Å; E386-F388 VanDerWaalsContact C-N 3.31Å; E386-F394 HydrophobicContact CB-CB 4.11Å; E386-F394 HydrophobicContact CB-CD2 3.29Å; E386-F394 HydrophobicContact CB-CE2 3.89Å; E386-F394 HydrophobicContact CB-CG 3.85Å; E386-F394 HydrophobicContact CG-CD2 3.68Å; E386-F394 HydrophobicContact CG-CE2 4.06Å; E386-F394 WeakPolarHBondContact O-CB 3.41Å |
| 387 | S | 88.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.2 | -34.2 | 166.5 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | I362 L363 I383 S384 K385 P397 I398 | I362-S387 VanDerWaalsContact CG2-OG 3.32Å; I362-S387 WeakPolarHBondContact CG2-OG 3.4Å; L363-S387 PolarHBondContact N-OG 3.07Å; L363-S387 WeakPolarHBondContact O-CA 3.43Å; L363-S387 WeakPolarHBondContact O-CB 3.35Å; L363-S387 PolarHBondContact O-OG 3.01Å; I383-S387 WeakPolarHBondContact CA-OG 3.49Å; S384-S387 PolarHBondContact N-OG 3.11Å; S384-S387 VanDerWaalsContact O-CB 3.24Å; S384-S387 WeakPolarHBondContact O-CB 3.41Å; S384-S387 PolarHBondContact O-N 3.5Å; K385-S387 VanDerWaalsContact C-N 3.31Å; K385-S387 PolarHBondContact O-N 3.19Å; S387-P397 CarbonylContact O-C 3.49Å; S387-P397 VanDerWaalsContact O-CA 3.3Å; S387-P397 WeakPolarHBondContact O-CA 3.21Å; S387-P397 VanDerWaalsContact O-CB 3.31Å; S387-P397 WeakPolarHBondContact O-CB 3.25Å; S387-I398 WeakPolarHBondContact O-CB 3.39Å; S387-I398 WeakPolarHBondContact O-CG1 3.31Å; S387-I398 PolarHBondContact O-N 2.96Å |
| 388 | F | 88.7 | Confident | 81.9 | Confident | 20 Ų | 20 | 32.7 Ų | 32.7 | 9% | 0.088 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -103.2 | -35.8 | -174.3 | -56 | -67.9 | 0 | 0 | 0 | 113.1 | I383 K385 E386 I398 L404 L421 E423 A424 P425 L428 | I383-F388 HydrophobicContact CG2-CD2 4.28Å; I383-F388 HydrophobicContact CG2-CE2 3.32Å; I383-F388 HydrophobicContact CG2-CZ 3.58Å; K385-F388 PolarHBondContact O-N 3.4Å; E386-F388 VanDerWaalsContact C-N 3.31Å; F388-I398 HydrophobicContact CD1-CB 4.08Å; F388-I398 HydrophobicContact CD1-CG2 4.4Å; F388-I398 HydrophobicContact CE1-CB 4.35Å; F388-I398 HydrophobicContact CE1-CD1 4.18Å; F388-I398 HydrophobicContact CE1-CG2 4.34Å; F388-L404 HydrophobicContact CE1-CD1 4.39Å; F388-L421 HydrophobicContact CE2-CD2 4.06Å; F388-L421 HydrophobicContact CZ-CD2 4.21Å; F388-E423 VanDerWaalsContact CB-O 3.28Å; F388-E423 WeakPolarHBondContact CB-O 3.13Å; F388-A424 HydrophobicContact CD2-CB 3.88Å; F388-A424 HydrophobicContact CE1-CB 4.46Å; F388-A424 HydrophobicContact CE2-CB 3.59Å; F388-A424 HydrophobicContact CG-CB 4.43Å; F388-A424 HydrophobicContact CZ-CB 3.91Å; F388-P425 VanDerWaalsContact CD1-CD 3.49Å; F388-P425 HydrophobicContact CD1-CG 4.33Å; F388-L428 HydrophobicContact CE1-CD2 4.3Å; F388-L428 HydrophobicContact CZ-CD2 3.84Å |
| 389 | Q | 82.3 | Confident | 82.1 | Confident | 92 Ų | 92 | 39.3 Ų | 39.3 | 43% | 0.43 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -92.3 | 133.9 | 173.6 | -65 | -163.8 | -14.3 | 0 | 0 | 111.7 | K385 S391 E423 | K385-Q389 WeakPolarHBondContact O-CB 3.34Å; K385-Q389 PolarHBondContact O-N 2.83Å; Q389-S391 PolarHBondContact O-N 3.45Å; Q389-E423 HydrophobicContact CG-CB 3.72Å; Q389-E423 HydrophobicContact CG-CG 4.01Å; Q389-E423 VanDerWaalsContact NE2-CG 3.28Å; Q389-E423 PolarHBondContact NE2-OE2 3.41Å |
| 390 | K | 78.8 | Confident | 82.5 | Confident | 152 Ų | 152 | 42.9 Ų | 42.9 | 66% | 0.661 | 22% | 0.221 | S | C | * | . | trans | -65.3 | 95.7 | 172.4 | -167.2 | -170.8 | -179.7 | 85.8 | 0 | 110.2 | P395 P397 | K390-P395 PolarHBondContact NZ-O 3.17Å; K390-P397 HydrophobicContact CB-CG 3.79Å; K390-P397 HydrophobicContact CG-CG 4.34Å | ||
| 391 | S | 72.4 | Confident | 82.7 | Confident | 30 Ų | 30 | 43.7 Ų | 43.7 | 21% | 0.21 | 23% | 0.226 | C | C | . | . | trans | -77.4 | 164.3 | 168 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | Q389 L393 F394 | Q389-S391 PolarHBondContact O-N 3.45Å; S391-L393 PolarHBondContact O-N 2.79Å; S391-L393 WeakPolarHBondContact OG-CB 3.49Å; S391-L393 WeakPolarHBondContact OG-CG 3.36Å; S391-L393 PolarHBondContact OG-N 3.05Å; S391-F394 PolarHBondContact N-O 3.09Å; S391-F394 CarbonylContact O-C 3.56Å | ||
| 392 | S | 70.1 | Confident | 82.8 | Confident | 92 Ų | 92 | 47.8 Ų | 47.8 | 64% | 0.643 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -57.7 | -35.2 | 160.4 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 393 | L | 64.1 | Low | 82.8 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -74.7 | -40.5 | -177.1 | -49.5 | 178.4 | 0 | 0 | 0 | 112.1 | S391 P395 Q1144 D1147 E1148 | S391-L393 PolarHBondContact O-N 2.79Å; S391-L393 WeakPolarHBondContact OG-CB 3.49Å; S391-L393 WeakPolarHBondContact OG-CG 3.36Å; S391-L393 PolarHBondContact OG-N 3.05Å; L393-P395 VanDerWaalsContact C-CD 3.47Å; L393-P395 WeakPolarHBondContact O-CD 3.33Å; L393-Q1144 WeakPolarHBondContact CD2-O 3.26Å; L393-D1147 HydrophobicContact CD1-CB 3.93Å; L393-E1148 VanDerWaalsContact C-OE1 3.31Å; L393-E1148 WeakPolarHBondContact CA-OE1 3.38Å; L393-E1148 HydrophobicContact CB-CB 3.91Å; L393-E1148 HydrophobicContact CB-CG 3.8Å; L393-E1148 WeakPolarHBondContact CB-OE1 3.28Å; L393-E1148 HydrophobicContact CD1-CB 4.33Å; L393-E1148 HydrophobicContact CD2-CB 4.04Å; L393-E1148 HydrophobicContact CG-CB 4.28Å |
| 394 | F | 74.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | trans | -119.6 | 79 | -174.5 | -60.4 | -81 | 0 | 0 | 0 | 108.8 | L360 I362 Q364 E386 S391 D396 E1148 | L360-F394 HydrophobicContact CB-CE1 4.12Å; L360-F394 HydrophobicContact CB-CZ 3.73Å; L360-F394 HydrophobicContact CD1-CZ 4.3Å; I362-F394 HydrophobicContact CB-CD1 4.09Å; I362-F394 HydrophobicContact CB-CE1 3.62Å; I362-F394 HydrophobicContact CB-CZ 3.9Å; I362-F394 HydrophobicContact CD1-CE1 4.1Å; I362-F394 HydrophobicContact CD1-CE2 3.74Å; I362-F394 HydrophobicContact CD1-CZ 3.43Å; I362-F394 VanDerWaalsContact CD1-CZ 3.43Å; I362-F394 HydrophobicContact CG1-CE1 4.4Å; I362-F394 HydrophobicContact CG1-CZ 4.19Å; I362-F394 HydrophobicContact CG2-CD1 3.82Å; I362-F394 HydrophobicContact CG2-CD2 4.49Å; I362-F394 HydrophobicContact CG2-CE1 3.86Å; I362-F394 HydrophobicContact CG2-CE2 4.5Å; I362-F394 HydrophobicContact CG2-CG 4.14Å; I362-F394 HydrophobicContact CG2-CZ 4.2Å; Q364-F394 HydrophobicContact CG-CB 4.44Å; Q364-F394 HydrophobicContact CG-CD1 4.07Å; E386-F394 HydrophobicContact CB-CB 4.11Å; E386-F394 HydrophobicContact CB-CD2 3.29Å; E386-F394 HydrophobicContact CB-CE2 3.89Å; E386-F394 HydrophobicContact CB-CG 3.85Å; E386-F394 HydrophobicContact CG-CD2 3.68Å; E386-F394 HydrophobicContact CG-CE2 4.06Å; E386-F394 WeakPolarHBondContact O-CB 3.41Å; S391-F394 PolarHBondContact N-O 3.09Å; S391-F394 CarbonylContact O-C 3.56Å; F394-D396 VanDerWaalsContact C-N 3.3Å; F394-D396 PolarHBondContact O-N 3.17Å; F394-E1148 HydrophobicContact CE1-CG 3.81Å; F394-E1148 HydrophobicContact CE2-CG 3.83Å; F394-E1148 HydrophobicContact CZ-CB 4.35Å; F394-E1148 HydrophobicContact CZ-CG 3.43Å; F394-E1148 VanDerWaalsContact CZ-CG 3.43Å | ||
| 395 | P | 76.9 | Confident | 83.1 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -76.5 | -12.6 | -167.7 | 30.2 | -38.4 | 0 | 0 | 0 | 114.3 | K390 L393 P397 | K390-P395 PolarHBondContact NZ-O 3.17Å; L393-P395 VanDerWaalsContact C-CD 3.47Å; L393-P395 WeakPolarHBondContact O-CD 3.33Å; P395-P397 WeakPolarHBondContact O-CD 3.47Å |
| 396 | D | 86 | Confident | 83.4 | Confident | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -121.8 | 63.9 | -177.6 | -167 | 52.1 | 0 | 0 | 0 | 110 | Q364 S365 S366 R369 F394 | Q364-D396 WeakPolarHBondContact CB-O 3.28Å; Q364-D396 VanDerWaalsContact NE2-N 3.19Å; S365-D396 VanDerWaalsContact CB-OD2 3.29Å; S365-D396 WeakPolarHBondContact CB-OD2 3.28Å; S365-D396 PolarHBondContact N-O 3.45Å; S366-D396 WeakPolarHBondContact CA-OD2 3.44Å; S366-D396 WeakPolarHBondContact CB-OD2 3.03Å; S366-D396 PolarHBondContact N-OD2 2.04Å; R369-D396 IonicContact CZ-OD2 2.72Å; R369-D396 IonicContact NH2-OD1 3.43Å; R369-D396 PolarHBondContact NH2-OD1 3.48Å; R369-D396 IonicContact NH2-OD2 3.17Å; R369-D396 PolarHBondContact NH2-OD2 3.36Å; F394-D396 VanDerWaalsContact C-N 3.3Å; F394-D396 PolarHBondContact O-N 3.17Å |
| 397 | P | 87.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | trans | -70.9 | 158.1 | -178.5 | 35.3 | -40.7 | 0 | 0 | 0 | 111.4 | S365 S387 K390 P395 Q399 | S365-P397 PolarHBondContact OG-O 3.02Å; S365-P397 VanDerWaalsContact OG-O 3.11Å; S387-P397 CarbonylContact O-C 3.49Å; S387-P397 VanDerWaalsContact O-CA 3.3Å; S387-P397 WeakPolarHBondContact O-CA 3.21Å; S387-P397 VanDerWaalsContact O-CB 3.31Å; S387-P397 WeakPolarHBondContact O-CB 3.25Å; K390-P397 HydrophobicContact CB-CG 3.79Å; K390-P397 HydrophobicContact CG-CG 4.34Å; P395-P397 WeakPolarHBondContact O-CD 3.47Å; P397-Q399 PolarHBondContact O-N 3.01Å | ||
| 398 | I | 89 | Confident | 84 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | trans | -62.3 | 90.6 | 174 | -52.2 | 176.6 | 0 | 0 | 0 | 109 | L363 L368 S387 F388 N400 E403 L404 | L363-I398 HydrophobicContact CB-CD1 4.44Å; L368-I398 HydrophobicContact CD1-CD1 3.64Å; L368-I398 HydrophobicContact CD1-CG1 3.67Å; S387-I398 WeakPolarHBondContact O-CB 3.39Å; S387-I398 WeakPolarHBondContact O-CG1 3.31Å; S387-I398 PolarHBondContact O-N 2.96Å; F388-I398 HydrophobicContact CD1-CB 4.08Å; F388-I398 HydrophobicContact CD1-CG2 4.4Å; F388-I398 HydrophobicContact CE1-CB 4.35Å; F388-I398 HydrophobicContact CE1-CD1 4.18Å; F388-I398 HydrophobicContact CE1-CG2 4.34Å; I398-N400 WeakPolarHBondContact CG2-O 3.26Å; I398-E403 HydrophobicContact CG2-CB 4.41Å; I398-L404 HydrophobicContact CD1-CD2 3.67Å; I398-L404 HydrophobicContact CD1-CG 4.15Å; I398-L404 HydrophobicContact CG2-CG 4.3Å | ||
| 399 | Q | 81.3 | Confident | 83.9 | Confident | 158 Ų | 158 | 54.1 Ų | 54.1 | 74% | 0.738 | 28% | 0.277 | S | S | * | . | trans | -79.3 | -24.8 | 178 | -78 | 166 | 67.2 | 0 | 0 | 112.1 | P397 E403 | P397-Q399 PolarHBondContact O-N 3.01Å; Q399-E403 PolarHBondContact N-OE1 3.37Å | ||
| 400 | N | 86.5 | Confident | 84.3 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -125.8 | 123.7 | 176 | -177.1 | -9.4 | 0 | 0 | 0 | 109.7 | I398 N402 E403 | I398-N400 WeakPolarHBondContact CG2-O 3.26Å; N400-N402 PolarHBondContact O-N 3.18Å; N400-N402 VanDerWaalsContact OD1-CB 3.29Å; N400-N402 WeakPolarHBondContact OD1-CB 3.25Å; N400-N402 VanDerWaalsContact OD1-CG 3.31Å; N400-N402 PolarHBondContact OD1-N 2.77Å; N400-E403 HydrophobicContact CB-CG 4.21Å; N400-E403 PolarHBondContact N-OE1 3.43Å; N400-E403 VanDerWaalsContact O-CB 3.3Å; N400-E403 WeakPolarHBondContact O-CB 3.34Å; N400-E403 WeakPolarHBondContact O-CG 3.25Å; N400-E403 PolarHBondContact O-N 3.44Å |
| 401 | V | 86.4 | Confident | 84.7 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -55.7 | -25.1 | 177 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | E403 L404 P425 E427 L428 | V401-E403 PolarHBondContact O-N 3.27Å; V401-L404 WeakPolarHBondContact O-CB 3.38Å; V401-L404 PolarHBondContact O-N 3.29Å; V401-P425 HydrophobicContact CG1-CB 4.01Å; V401-P425 HydrophobicContact CG1-CG 3.95Å; V401-E427 HydrophobicContact CG1-CB 4.3Å; V401-E427 HydrophobicContact CG2-CB 4.01Å; V401-L428 HydrophobicContact CB-CD1 4.29Å; V401-L428 HydrophobicContact CG1-CB 3.92Å; V401-L428 HydrophobicContact CG1-CD1 4.3Å |
| 402 | N | 89.9 | Confident | 85.2 | Confident | 86 Ų | 86 | 46 Ų | 46 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -63.6 | -18.9 | 174.2 | -63.1 | -5.7 | 0 | 0 | 0 | 113.3 | N400 L404 Y405 | N400-N402 PolarHBondContact O-N 3.18Å; N400-N402 VanDerWaalsContact OD1-CB 3.29Å; N400-N402 WeakPolarHBondContact OD1-CB 3.25Å; N400-N402 VanDerWaalsContact OD1-CG 3.31Å; N400-N402 PolarHBondContact OD1-N 2.77Å; N402-L404 VanDerWaalsContact C-N 3.29Å; N402-Y405 PolarHBondContact O-N 2.92Å |
| 403 | E | 89.1 | Confident | 85.8 | Confident | 41 Ų | 41 | 41.6 Ų | 41.6 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -71.9 | -24.8 | 177.1 | -63 | 176.5 | -100.8 | 0 | 0 | 112.2 | S365 L368 I398 Q399 N400 V401 Y405 N406 | S365-E403 WeakPolarHBondContact CB-OE2 3.41Å; S365-E403 PolarHBondContact OG-OE1 2.96Å; S365-E403 PolarHBondContact OG-OE2 3.42Å; L368-E403 HydrophobicContact CD1-CB 4.17Å; I398-E403 HydrophobicContact CG2-CB 4.41Å; Q399-E403 PolarHBondContact N-OE1 3.37Å; N400-E403 HydrophobicContact CB-CG 4.21Å; N400-E403 PolarHBondContact N-OE1 3.43Å; N400-E403 VanDerWaalsContact O-CB 3.3Å; N400-E403 WeakPolarHBondContact O-CB 3.34Å; N400-E403 WeakPolarHBondContact O-CG 3.25Å; N400-E403 PolarHBondContact O-N 3.44Å; V401-E403 PolarHBondContact O-N 3.27Å; E403-Y405 PolarHBondContact O-N 2.03Å; E403-N406 PolarHBondContact O-N 3.27Å; E403-N406 VanDerWaalsContact O-N 3.17Å; E403-N406 PolarHBondContact O-ND2 2.89Å |
| 404 | L | 91.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -60.6 | -30.4 | 173.1 | -72.5 | 161.7 | 0 | 0 | 0 | 111.6 | L368 I383 F388 I398 V401 N402 N406 L407 L428 F433 | L368-L404 HydrophobicContact CD1-CD2 4.32Å; L368-L404 HydrophobicContact CD2-CD2 4.49Å; I383-L404 HydrophobicContact CD1-CD2 3.72Å; F388-L404 HydrophobicContact CE1-CD1 4.39Å; I398-L404 HydrophobicContact CD1-CD2 3.67Å; I398-L404 HydrophobicContact CD1-CG 4.15Å; I398-L404 HydrophobicContact CG2-CG 4.3Å; V401-L404 WeakPolarHBondContact O-CB 3.38Å; V401-L404 PolarHBondContact O-N 3.29Å; N402-L404 VanDerWaalsContact C-N 3.29Å; L404-N406 PolarHBondContact O-N 3.49Å; L404-L407 HydrophobicContact CD2-CD1 4.47Å; L404-L407 VanDerWaalsContact O-CB 3.27Å; L404-L407 WeakPolarHBondContact O-CB 3.44Å; L404-L407 WeakPolarHBondContact O-CG 3.44Å; L404-L407 PolarHBondContact O-N 3.26Å; L404-L428 HydrophobicContact CD1-CD1 3.75Å; L404-L428 HydrophobicContact CD1-CD2 4.28Å; L404-F433 HydrophobicContact CB-CB 3.79Å; L404-F433 HydrophobicContact CB-CD1 3.86Å; L404-F433 HydrophobicContact CB-CD2 3.92Å; L404-F433 HydrophobicContact CB-CE1 4.39Å; L404-F433 HydrophobicContact CB-CE2 4.45Å; L404-F433 HydrophobicContact CB-CG 3.6Å; L404-F433 HydrophobicContact CD1-CD1 3.96Å; L404-F433 HydrophobicContact CD1-CE1 3.83Å; L404-F433 HydrophobicContact CD1-CZ 4.29Å; L404-F433 HydrophobicContact CD2-CD2 4.35Å; L404-F433 HydrophobicContact CD2-CE2 4.1Å; L404-F433 HydrophobicContact CD2-CZ 4.19Å; L404-F433 HydrophobicContact CG-CD1 4.41Å; L404-F433 HydrophobicContact CG-CE1 4.48Å; L404-F433 HydrophobicContact CG-CG 4.48Å |
| 405 | Y | 92.5 | Very high | 86.4 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -69.3 | 1.4 | 177.8 | -69.4 | -96.5 | 0 | 0 | 0 | 114.2 | N402 E403 L407 L408 T432 F433 | N402-Y405 PolarHBondContact O-N 2.92Å; E403-Y405 PolarHBondContact O-N 2.03Å; Y405-L407 PolarHBondContact O-N 2.83Å; Y405-L408 HydrophobicContact CD1-CD1 4.35Å; Y405-L408 HydrophobicContact CD1-CD2 4.35Å; Y405-L408 WeakPolarHBondContact O-CB 3.23Å; Y405-L408 PolarHBondContact O-N 2.93Å; Y405-T432 PolarHBondContact OH-OG1 3.27Å; Y405-F433 HydrophobicContact CD1-CB 4.07Å; Y405-F433 HydrophobicContact CD2-CB 4.04Å; Y405-F433 HydrophobicContact CE1-CB 4.21Å; Y405-F433 HydrophobicContact CE2-CB 4.2Å; Y405-F433 HydrophobicContact CG-CB 3.99Å |
| 406 | N | 91 | Very high | 86.6 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -68.6 | -16.9 | 160.8 | -64.8 | -72.6 | 0 | 0 | 0 | 112.3 | L368 F371 K372 E403 L404 L408 | L368-N406 HydrophobicContact CB-CB 4.36Å; L368-N406 WeakPolarHBondContact O-CB 3.31Å; F371-N406 CarbonylContact C-O 3.44Å; K372-N406 HydrophobicContact CB-CB 4.25Å; E403-N406 PolarHBondContact O-N 3.27Å; E403-N406 VanDerWaalsContact O-N 3.17Å; E403-N406 PolarHBondContact O-ND2 2.89Å; L404-N406 PolarHBondContact O-N 3.49Å; N406-L408 VanDerWaalsContact C-N 3.28Å |
| 407 | L | 93.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -78.5 | -8.7 | 171.8 | -61.3 | 167 | 0 | 0 | 0 | 113.3 | L363 L368 F371 L381 L404 Y405 H409 L410 F433 L434 | L363-L407 HydrophobicContact CD1-CD1 3.88Å; L363-L407 HydrophobicContact CD2-CD2 4.21Å; L368-L407 HydrophobicContact CD2-CD1 3.77Å; L368-L407 HydrophobicContact CD2-CD2 4.09Å; L368-L407 HydrophobicContact CD2-CG 3.6Å; F371-L407 HydrophobicContact CB-CD2 3.95Å; F371-L407 HydrophobicContact CD1-CD2 3.83Å; F371-L407 HydrophobicContact CD2-CD2 3.59Å; F371-L407 HydrophobicContact CE1-CD2 4.23Å; F371-L407 HydrophobicContact CE2-CD2 4.02Å; F371-L407 HydrophobicContact CG-CD2 3.51Å; F371-L407 HydrophobicContact CZ-CD2 4.33Å; L381-L407 HydrophobicContact CD1-CD2 4.28Å; L381-L407 HydrophobicContact CD2-CD2 4.24Å; L404-L407 HydrophobicContact CD2-CD1 4.47Å; L404-L407 VanDerWaalsContact O-CB 3.27Å; L404-L407 WeakPolarHBondContact O-CB 3.44Å; L404-L407 WeakPolarHBondContact O-CG 3.44Å; L404-L407 PolarHBondContact O-N 3.26Å; Y405-L407 PolarHBondContact O-N 2.83Å; L407-H409 PolarHBondContact O-N 3.11Å; L407-L410 HydrophobicContact CB-CD1 4.29Å; L407-L410 HydrophobicContact CD2-CD1 3.64Å; L407-L410 WeakPolarHBondContact O-CB 3.29Å; L407-L410 PolarHBondContact O-N 2.6Å; L407-F433 CarbonylContact C-O 2.85Å; L407-F433 HydrophobicContact CD1-CD2 3.79Å; L407-F433 HydrophobicContact CD1-CE2 3.95Å; L407-L434 HydrophobicContact CB-CD2 3.85Å; L407-L434 HydrophobicContact CB-CG 4.46Å |
| 408 | L | 91.9 | Very high | 87 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 23% | 0.225 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19 | -171 | -174 | 64.6 | 0 | 0 | 0 | 114.2 | Y405 N406 F433 E435 N436 | Y405-L408 HydrophobicContact CD1-CD1 4.35Å; Y405-L408 HydrophobicContact CD1-CD2 4.35Å; Y405-L408 WeakPolarHBondContact O-CB 3.23Å; Y405-L408 PolarHBondContact O-N 2.93Å; N406-L408 VanDerWaalsContact C-N 3.28Å; L408-F433 WeakPolarHBondContact CA-O 3.49Å; L408-F433 PolarHBondContact N-O 3.02Å; L408-E435 HydrophobicContact CD1-CG 3.64Å; L408-N436 WeakPolarHBondContact CD1-ND2 3.13Å; L408-N436 PolarHBondContact O-ND2 3.21Å |
| 409 | H | 87.7 | Confident | 87.2 | Confident | 101 Ų | 101 | 43.6 Ų | 43.6 | 47% | 0.468 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.4 | 178.6 | -59.6 | 153.5 | 0 | 0 | 0 | 114.3 | K372 C374 L407 K411 | K372-H409 PolarHBondContact O-ND1 3.05Å; C374-H409 CarbonylContact O-C 3.1Å; L407-H409 PolarHBondContact O-N 3.11Å; H409-K411 PolarHBondContact O-N 3.25Å |
| 410 | L | 90.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -69.4 | 119 | 179.4 | -70 | 177.5 | 0 | 0 | 0 | 111.3 | F371 C374 L381 L407 L434 N436 L437 | F371-L410 HydrophobicContact CD1-CD1 3.96Å; F371-L410 HydrophobicContact CD1-CD2 4.2Å; F371-L410 HydrophobicContact CD1-CG 4.4Å; F371-L410 HydrophobicContact CE1-CD1 3.99Å; F371-L410 HydrophobicContact CE1-CD2 4.37Å; C374-L410 HydrophobicContact CB-CD2 3.64Å; L381-L410 HydrophobicContact CD1-CD1 4Å; L407-L410 HydrophobicContact CB-CD1 4.29Å; L407-L410 HydrophobicContact CD2-CD1 3.64Å; L407-L410 WeakPolarHBondContact O-CB 3.29Å; L407-L410 PolarHBondContact O-N 2.6Å; L410-L434 HydrophobicContact CB-CD2 4.5Å; L410-L434 HydrophobicContact CD1-CD2 4.3Å; L410-N436 CarbonylContact O-C 3.21Å; L410-L437 WeakPolarHBondContact O-CA 3.32Å | ||
| 411 | K | 87.3 | Confident | 88 | Confident | 80 Ų | 80 | 32.8 Ų | 32.8 | 35% | 0.348 | 16% | 0.158 | S | C | . | . | trans | -95.7 | -33.8 | 173.4 | -76.3 | 178.1 | 166.5 | -76.1 | 0 | 113.1 | V375 H409 E438 S439 | V375-K411 HydrophobicContact CG1-CB 4.35Å; V375-K411 HydrophobicContact CG1-CD 3.94Å; V375-K411 HydrophobicContact CG1-CG 4.26Å; V375-K411 PolarHBondContact O-N 3.35Å; H409-K411 PolarHBondContact O-N 3.25Å; K411-E438 IonicContact NZ-OE1 2.65Å; K411-E438 PolarHBondContact NZ-OE1 2.78Å; K411-E438 WeakPolarHBondContact O-CA 3.25Å; K411-E438 WeakPolarHBondContact O-CB 3.3Å; K411-E438 PolarHBondContact O-N 3.27Å; K411-S439 PolarHBondContact O-N 3.01Å | ||
| 412 | S | 82.9 | Confident | 88.1 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 134.8 | -174.3 | -168 | 0 | 0 | 0 | 0 | 112.2 | Y377 S439 | Y377-S412 PolarHBondContact N-O 2.98Å; S412-S439 WeakPolarHBondContact CA-O 3.48Å; S412-S439 VanDerWaalsContact CB-OG 3.28Å; S412-S439 WeakPolarHBondContact CB-OG 3Å; S412-S439 PolarHBondContact OG-OG 2.79Å |
| 413 | I | 82.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.4 | 174.7 | -63.8 | 165.7 | 0 | 0 | 0 | 108.6 | Y377 G379 L381 G415 I417 L437 S439 V440 V441 | Y377-I413 HydrophobicContact CD1-CG1 4.38Å; Y377-I413 HydrophobicContact CD1-CG2 4.23Å; Y377-I413 CarbonylContact O-C 3.57Å; Y377-I413 VanDerWaalsContact O-CA 3.31Å; Y377-I413 WeakPolarHBondContact O-CA 3.24Å; G379-I413 WeakPolarHBondContact O-CG2 3.33Å; L381-I413 HydrophobicContact CD1-CD1 3.44Å; L381-I413 VanDerWaalsContact CD1-CD1 3.44Å; L381-I413 HydrophobicContact CD1-CG1 4.45Å; L381-I413 HydrophobicContact CG-CD1 3.92Å; I413-G415 PolarHBondContact O-N 3.39Å; I413-I417 HydrophobicContact CD1-CD1 3.94Å; I413-I417 HydrophobicContact CD1-CG1 4.06Å; I413-L437 HydrophobicContact CD1-CD1 3.64Å; I413-L437 HydrophobicContact CD1-CD2 3.87Å; I413-L437 HydrophobicContact CD1-CG 4.43Å; I413-L437 HydrophobicContact CG1-CD1 3.79Å; I413-S439 PolarHBondContact N-O 2.67Å; I413-V440 HydrophobicContact CB-CG1 4.2Å; I413-V440 HydrophobicContact CB-CG2 4.49Å; I413-V440 HydrophobicContact CD1-CG2 4.5Å; I413-V440 HydrophobicContact CG2-CG1 4.16Å; I413-V440 WeakPolarHBondContact O-CA 3.07Å; I413-V441 PolarHBondContact O-N 2.8Å |
| 414 | V | 75.9 | Confident | 87.8 | Confident | 48 Ų | 48 | 37.9 Ų | 37.9 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 85.4 | 168.9 | -177.5 | 0 | 0 | 0 | 0 | 107.3 | Y377 T378 G379 V441 E443 | Y377-V414 PolarHBondContact O-N 2.75Å; T378-V414 CarbonylContact C-O 3.48Å; T378-V414 WeakPolarHBondContact CA-O 3.31Å; T378-V414 HydrophobicContact CG2-CB 4.3Å; T378-V414 HydrophobicContact CG2-CG1 4.32Å; G379-V414 PolarHBondContact N-O 3.44Å; V414-V441 CarbonylContact C-O 3.37Å; V414-V441 VanDerWaalsContact CA-O 3.28Å; V414-V441 WeakPolarHBondContact CA-O 3.21Å; V414-E443 HydrophobicContact CG1-CB 3.92Å; V414-E443 HydrophobicContact CG1-CG 4Å |
| 415 | G | 74.8 | Confident | 87.7 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 162.2 | -139.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I413 V441 L442 | I413-G415 PolarHBondContact O-N 3.39Å; G415-V441 PolarHBondContact N-O 3.26Å; G415-V441 CarbonylContact O-C 3.42Å; G415-L442 WeakPolarHBondContact O-CA 3.24Å |
| 416 | Y | 81.9 | Confident | 87.5 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | trans | -149.9 | 164.8 | 179.4 | 59.8 | -77.8 | 0 | 0 | 0 | 112.7 | G380 L381 Y382 L442 V452 Q1326 N1330 | G380-Y416 CarbonylContact C-O 3.6Å; G380-Y416 WeakPolarHBondContact CA-O 3.01Å; L381-Y416 PolarHBondContact N-O 3.26Å; Y382-Y416 HydrophobicContact CE1-CD2 4.47Å; Y382-Y416 AromaticContact CE1-CE2 3.7Å; Y382-Y416 HydrophobicContact CE1-CE2 3.7Å; Y382-Y416 AromaticContact CE1-CZ 3.97Å; Y382-Y416 AromaticContact CZ-CE2 3.82Å; Y382-Y416 AromaticContact CZ-CZ 3.73Å; Y382-Y416 WeakPolarHBondContact OH-CE1 3.43Å; Y382-Y416 WeakPolarHBondContact OH-CE2 3.37Å; Y382-Y416 PolarHBondContact OH-OH 3.4Å; Y416-L442 HydrophobicContact CD1-CD2 4.08Å; Y416-L442 HydrophobicContact CG-CD2 4.34Å; Y416-V452 CarbonylContact C-O 3.42Å; Y416-V452 WeakPolarHBondContact CA-O 3.12Å; Y416-V452 WeakPolarHBondContact CB-O 3.38Å; Y416-Q1326 PolarHBondContact OH-O 3.38Å; Y416-Q1326 VanDerWaalsContact OH-O 3.04Å; Y416-N1330 PolarHBondContact OH-ND2 3.26Å; Y416-N1330 VanDerWaalsContact OH-ND2 3.08Å | ||
| 417 | I | 90.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.9 | 175.6 | -65.3 | 179.5 | 0 | 0 | 0 | 109.2 | L381 I413 F419 L434 L437 V440 V452 I453 T454 F466 | L381-I417 HydrophobicContact CB-CG1 4.39Å; L381-I417 CarbonylContact O-C 3.11Å; L381-I417 WeakPolarHBondContact O-CA 3.39Å; I413-I417 HydrophobicContact CD1-CD1 3.94Å; I413-I417 HydrophobicContact CD1-CG1 4.06Å; I417-F419 HydrophobicContact CG2-CD1 3.68Å; I417-F419 HydrophobicContact CG2-CD2 4.04Å; I417-F419 HydrophobicContact CG2-CE1 3.58Å; I417-F419 HydrophobicContact CG2-CE2 3.93Å; I417-F419 HydrophobicContact CG2-CG 3.93Å; I417-F419 HydrophobicContact CG2-CZ 3.71Å; I417-L434 HydrophobicContact CD1-CD1 3.89Å; I417-L437 HydrophobicContact CD1-CD2 3.56Å; I417-V440 HydrophobicContact CD1-CG2 4.02Å; I417-V440 HydrophobicContact CG1-CG1 4.45Å; I417-V452 PolarHBondContact N-O 2.77Å; I417-I453 HydrophobicContact CB-CB 4.43Å; I417-I453 HydrophobicContact CB-CG1 4.21Å; I417-I453 HydrophobicContact CB-CG2 4.21Å; I417-I453 HydrophobicContact CD1-CG1 4.31Å; I417-I453 HydrophobicContact CG2-CG2 4.11Å; I417-I453 CarbonylContact O-C 3.38Å; I417-I453 WeakPolarHBondContact O-CA 3.35Å; I417-T454 PolarHBondContact O-N 3.13Å; I417-F466 HydrophobicContact CD1-CE2 3.86Å; I417-F466 HydrophobicContact CD1-CZ 4.31Å |
| 418 | Y | 91.2 | Very high | 87.3 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 99.1 | 175 | -173.6 | -83.1 | 0 | 0 | 0 | 110.8 | L381 Y382 I383 D420 T454 | L381-Y418 PolarHBondContact O-N 3.06Å; Y382-Y418 CarbonylContact C-O 3.44Å; Y382-Y418 WeakPolarHBondContact CA-O 3.38Å; Y382-Y418 HydrophobicContact CD1-CD1 4.26Å; Y382-Y418 HydrophobicContact CD1-CG 4.17Å; I383-Y418 PolarHBondContact N-O 3.49Å; I383-Y418 VanDerWaalsContact O-O 3.13Å; Y418-D420 HydrophobicContact CE1-CB 4.15Å; Y418-T454 CarbonylContact C-O 3.57Å; Y418-T454 WeakPolarHBondContact CA-O 3.15Å; Y418-T454 HydrophobicContact CD2-CG2 3.62Å; Y418-T454 HydrophobicContact CE2-CG2 3.58Å; Y418-T454 HydrophobicContact CG-CG2 4.48Å |
| 419 | F | 93.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 103.8 | -177.3 | -68.3 | -7 | 0 | 0 | 0 | 111.4 | L363 L381 I383 I417 L421 L431 F433 L434 T454 I455 M456 F466 | L363-F419 HydrophobicContact CD1-CE1 4.35Å; L381-F419 HydrophobicContact CB-CE1 4.35Å; I383-F419 HydrophobicContact CB-CB 4.22Å; I383-F419 HydrophobicContact CB-CD1 3.6Å; I383-F419 HydrophobicContact CB-CE1 4.21Å; I383-F419 HydrophobicContact CB-CG 4.05Å; I383-F419 HydrophobicContact CD1-CD1 3.65Å; I383-F419 HydrophobicContact CD1-CD2 4.14Å; I383-F419 HydrophobicContact CD1-CE1 3.54Å; I383-F419 HydrophobicContact CD1-CE2 4.04Å; I383-F419 HydrophobicContact CD1-CG 3.96Å; I383-F419 HydrophobicContact CD1-CZ 3.74Å; I383-F419 HydrophobicContact CG1-CD1 3.48Å; I383-F419 VanDerWaalsContact CG1-CD1 3.48Å; I383-F419 HydrophobicContact CG1-CE1 3.55Å; I383-F419 HydrophobicContact CG1-CG 4.16Å; I383-F419 HydrophobicContact CG1-CZ 4.28Å; I383-F419 CarbonylContact O-C 3.49Å; I417-F419 HydrophobicContact CG2-CD1 3.68Å; I417-F419 HydrophobicContact CG2-CD2 4.04Å; I417-F419 HydrophobicContact CG2-CE1 3.58Å; I417-F419 HydrophobicContact CG2-CE2 3.93Å; I417-F419 HydrophobicContact CG2-CG 3.93Å; I417-F419 HydrophobicContact CG2-CZ 3.71Å; F419-L421 HydrophobicContact CB-CD2 4.1Å; F419-L421 HydrophobicContact CB-CG 4.23Å; F419-L431 HydrophobicContact CD2-CD1 4.49Å; F419-F433 HydrophobicContact CD2-CZ 4.34Å; F419-F433 AromaticContact CE2-CE2 3.76Å; F419-F433 HydrophobicContact CE2-CE2 3.76Å; F419-F433 AromaticContact CE2-CZ 3.58Å; F419-F433 HydrophobicContact CE2-CZ 3.58Å; F419-F433 AromaticContact CZ-CE2 3.79Å; F419-F433 HydrophobicContact CZ-CE2 3.79Å; F419-F433 HydrophobicContact CZ-CZ 4.02Å; F419-L434 HydrophobicContact CE2-CD1 4.01Å; F419-L434 HydrophobicContact CZ-CD1 3.65Å; F419-T454 PolarHBondContact N-O 3.45Å; F419-I455 HydrophobicContact CB-CB 4.48Å; F419-I455 HydrophobicContact CB-CG1 4.36Å; F419-I455 HydrophobicContact CB-CG2 4.06Å; F419-I455 HydrophobicContact CD2-CD1 4.19Å; F419-I455 CarbonylContact O-C 3.57Å; F419-I455 VanDerWaalsContact O-CA 3.28Å; F419-I455 WeakPolarHBondContact O-CA 3.38Å; F419-M456 PolarHBondContact O-N 3.48Å; F419-F466 HydrophobicContact CE2-CZ 4.08Å |
| 420 | D | 91.4 | Very high | 87.5 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 98.2 | 167.6 | -173.9 | -18.6 | 0 | 0 | 0 | 109.5 | I383 S384 K385 Y418 R422 M456 N457 | I383-D420 PolarHBondContact O-N 2.96Å; S384-D420 CarbonylContact C-O 3.32Å; S384-D420 WeakPolarHBondContact CA-O 3.37Å; K385-D420 PolarHBondContact N-O 3.07Å; Y418-D420 HydrophobicContact CE1-CB 4.15Å; D420-R422 PolarHBondContact O-N 3.28Å; D420-R422 WeakPolarHBondContact OD1-CG 3.27Å; D420-R422 IonicContact OD1-CZ 3.15Å; D420-R422 PolarHBondContact OD1-N 3.25Å; D420-R422 IonicContact OD1-NE 2.69Å; D420-R422 PolarHBondContact OD1-NE 2.94Å; D420-R422 IonicContact OD1-NH2 3.38Å; D420-R422 IonicContact OD2-CZ 3.15Å; D420-R422 VanDerWaalsContact OD2-CZ 3.23Å; D420-R422 IonicContact OD2-NE 2.76Å; D420-R422 PolarHBondContact OD2-NE 3.48Å; D420-R422 IonicContact OD2-NH2 2.69Å; D420-R422 PolarHBondContact OD2-NH2 2.77Å; D420-M456 CarbonylContact C-O 3.33Å; D420-M456 HydrophobicContact CB-CG 3.97Å; D420-N457 PolarHBondContact OD1-ND2 3.09Å |
| 421 | L | 92.2 | Very high | 87.6 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -87.9 | 19.9 | -169 | -56.7 | 174.6 | 0 | 0 | 0 | 113.3 | I383 F388 F419 E423 A424 L428 L431 I455 M456 N457 I461 | I383-L421 HydrophobicContact CB-CD2 4.44Å; I383-L421 HydrophobicContact CG2-CD2 3.77Å; F388-L421 HydrophobicContact CE2-CD2 4.06Å; F388-L421 HydrophobicContact CZ-CD2 4.21Å; F419-L421 HydrophobicContact CB-CD2 4.1Å; F419-L421 HydrophobicContact CB-CG 4.23Å; L421-E423 PolarHBondContact O-N 3.03Å; L421-A424 HydrophobicContact CB-CB 4.19Å; L421-A424 WeakPolarHBondContact O-CB 3.11Å; L421-A424 PolarHBondContact O-N 3.49Å; L421-A424 VanDerWaalsContact O-N 3.16Å; L421-L428 HydrophobicContact CD2-CD2 4.28Å; L421-L431 HydrophobicContact CD1-CD2 3.93Å; L421-I455 HydrophobicContact CD1-CG2 3.75Å; L421-I455 HydrophobicContact CG-CG2 4.43Å; L421-M456 PolarHBondContact N-O 2.95Å; L421-N457 CarbonylContact C-O 3.45Å; L421-I461 HydrophobicContact CD1-CD1 3.88Å; L421-I461 HydrophobicContact CD1-CG1 3.64Å | ||
| 422 | R | 88.4 | Confident | 87.9 | Confident | 116 Ų | 116 | 44.9 Ų | 44.9 | 44% | 0.438 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 138.1 | 163.3 | -78.6 | -179.3 | -73.6 | 170.2 | -0.1 | 109.1 | K385 D420 A424 N457 | K385-R422 VanDerWaalsContact CA-O 3.24Å; K385-R422 WeakPolarHBondContact CA-O 3.46Å; K385-R422 HydrophobicContact CB-CB 3.93Å; D420-R422 PolarHBondContact O-N 3.28Å; D420-R422 WeakPolarHBondContact OD1-CG 3.27Å; D420-R422 IonicContact OD1-CZ 3.15Å; D420-R422 PolarHBondContact OD1-N 3.25Å; D420-R422 IonicContact OD1-NE 2.69Å; D420-R422 PolarHBondContact OD1-NE 2.94Å; D420-R422 IonicContact OD1-NH2 3.38Å; D420-R422 IonicContact OD2-CZ 3.15Å; D420-R422 VanDerWaalsContact OD2-CZ 3.23Å; D420-R422 IonicContact OD2-NE 2.76Å; D420-R422 PolarHBondContact OD2-NE 3.48Å; D420-R422 IonicContact OD2-NH2 2.69Å; D420-R422 PolarHBondContact OD2-NH2 2.77Å; R422-A424 PolarHBondContact O-N 3.49Å; R422-A424 VanDerWaalsContact O-N 3.11Å; R422-N457 HydrophobicContact CB-CB 4.4Å; R422-N457 HydrophobicContact CG-CB 3.44Å; R422-N457 VanDerWaalsContact CG-CB 3.44Å; R422-N457 PolarHBondContact NE-ND2 3.31Å |
| 423 | E | 85.7 | Confident | 88.4 | Confident | 118 Ų | 118 | 43.9 Ų | 43.9 | 55% | 0.551 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 13.5 | 178.8 | -45.6 | -68.8 | 160.6 | 0 | 0 | 114.6 | K385 F388 Q389 L421 | K385-E423 HydrophobicContact CB-CB 4.2Å; K385-E423 HydrophobicContact CB-CG 3.89Å; F388-E423 VanDerWaalsContact CB-O 3.28Å; F388-E423 WeakPolarHBondContact CB-O 3.13Å; Q389-E423 HydrophobicContact CG-CB 3.72Å; Q389-E423 HydrophobicContact CG-CG 4.01Å; Q389-E423 VanDerWaalsContact NE2-CG 3.28Å; Q389-E423 PolarHBondContact NE2-OE2 3.41Å; L421-E423 PolarHBondContact O-N 3.03Å |
| 424 | A | 87.8 | Confident | 88.9 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | trans | -63.6 | 137.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F388 L421 R422 L428 | F388-A424 HydrophobicContact CD2-CB 3.88Å; F388-A424 HydrophobicContact CE1-CB 4.46Å; F388-A424 HydrophobicContact CE2-CB 3.59Å; F388-A424 HydrophobicContact CG-CB 4.43Å; F388-A424 HydrophobicContact CZ-CB 3.91Å; L421-A424 HydrophobicContact CB-CB 4.19Å; L421-A424 WeakPolarHBondContact O-CB 3.11Å; L421-A424 PolarHBondContact O-N 3.49Å; L421-A424 VanDerWaalsContact O-N 3.16Å; R422-A424 PolarHBondContact O-N 3.49Å; R422-A424 VanDerWaalsContact O-N 3.11Å; A424-L428 HydrophobicContact CB-CD2 4.01Å | ||
| 425 | P | 89 | Confident | 89.7 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | trans | -56.7 | 149.4 | 178.6 | -24.2 | 33.2 | 0 | 0 | 0 | 112.7 | F388 V401 E427 L428 | F388-P425 VanDerWaalsContact CD1-CD 3.49Å; F388-P425 HydrophobicContact CD1-CG 4.33Å; V401-P425 HydrophobicContact CG1-CB 4.01Å; V401-P425 HydrophobicContact CG1-CG 3.95Å; P425-E427 WeakPolarHBondContact CB-OE2 3.03Å; P425-E427 PolarHBondContact O-N 3.26Å; P425-E427 VanDerWaalsContact O-N 3.14Å; P425-L428 WeakPolarHBondContact O-CB 3.35Å; P425-L428 PolarHBondContact O-N 2.83Å | ||
| 426 | E | 88.6 | Confident | 90.4 | Very high | 150 Ų | 150 | 45.6 Ų | 45.6 | 70% | 0.701 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.6 | 179.9 | -56.1 | -159.8 | 142.9 | 0 | 0 | 112.8 | L428 | E426-L428 VanDerWaalsContact C-N 3.27Å; E426-L428 PolarHBondContact O-N 2.62Å |
| 427 | E | 89.1 | Confident | 90.8 | Very high | 140 Ų | 140 | 43.8 Ų | 43.8 | 65% | 0.654 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.8 | 170.2 | -60.9 | 87.6 | 163.7 | 0 | 0 | 113.1 | V401 P425 K429 | V401-E427 HydrophobicContact CG1-CB 4.3Å; V401-E427 HydrophobicContact CG2-CB 4.01Å; P425-E427 WeakPolarHBondContact CB-OE2 3.03Å; P425-E427 PolarHBondContact O-N 3.26Å; P425-E427 VanDerWaalsContact O-N 3.14Å; E427-K429 VanDerWaalsContact C-N 3.32Å; E427-K429 PolarHBondContact O-N 3.11Å |
| 428 | L | 90.8 | Very high | 90.6 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | trans | -79.2 | 81.9 | 177 | -166.4 | 68.7 | 0 | 0 | 0 | 110.3 | F388 V401 L404 L421 A424 P425 E426 N430 F433 I461 | F388-L428 HydrophobicContact CE1-CD2 4.3Å; F388-L428 HydrophobicContact CZ-CD2 3.84Å; V401-L428 HydrophobicContact CB-CD1 4.29Å; V401-L428 HydrophobicContact CG1-CB 3.92Å; V401-L428 HydrophobicContact CG1-CD1 4.3Å; L404-L428 HydrophobicContact CD1-CD1 3.75Å; L404-L428 HydrophobicContact CD1-CD2 4.28Å; L421-L428 HydrophobicContact CD2-CD2 4.28Å; A424-L428 HydrophobicContact CB-CD2 4.01Å; P425-L428 WeakPolarHBondContact O-CB 3.35Å; P425-L428 PolarHBondContact O-N 2.83Å; E426-L428 VanDerWaalsContact C-N 3.27Å; E426-L428 PolarHBondContact O-N 2.62Å; L428-N430 WeakPolarHBondContact CD1-O 3.31Å; L428-F433 HydrophobicContact CD1-CD1 4.41Å; L428-F433 HydrophobicContact CD1-CE1 4.19Å; L428-I461 HydrophobicContact CD2-CD1 4.25Å; L428-I461 HydrophobicContact CG-CD1 3.99Å; L428-I461 VanDerWaalsContact O-CD1 3.31Å; L428-I461 WeakPolarHBondContact O-CD1 2.97Å | ||
| 429 | K | 92.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 44.1 Ų | 44.1 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -90.8 | -12.3 | 178.5 | -75.4 | 167.6 | 156.7 | -73.7 | 0 | 114.7 | E427 N460 E462 S463 | E427-K429 VanDerWaalsContact C-N 3.32Å; E427-K429 PolarHBondContact O-N 3.11Å; K429-N460 WeakPolarHBondContact CA-O 3.42Å; K429-E462 IonicContact NZ-OE1 3.96Å; K429-E462 PolarHBondContact NZ-OE1 3.19Å; K429-E462 IonicContact NZ-OE2 2.95Å; K429-E462 PolarHBondContact NZ-OE2 3.16Å; K429-E462 PolarHBondContact O-N 2.79Å; K429-S463 PolarHBondContact O-N 3.12Å | ||
| 430 | N | 92 | Very high | 89.3 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -153.7 | 171.7 | -176.5 | 67 | 62.3 | 0 | 0 | 0 | 110.8 | L428 T432 S463 | L428-N430 WeakPolarHBondContact CD1-O 3.31Å; N430-T432 HydrophobicContact CB-CG2 4.23Å; N430-T432 WeakPolarHBondContact OD1-CB 3.3Å; N430-T432 WeakPolarHBondContact OD1-CG2 3.25Å; N430-T432 PolarHBondContact OD1-N 2.04Å; N430-T432 PolarHBondContact OD1-OG1 2.93Å; N430-S463 WeakPolarHBondContact CA-O 3.14Å; N430-S463 VanDerWaalsContact CB-OG 3.26Å; N430-S463 WeakPolarHBondContact CB-OG 3.15Å |
| 431 | L | 92.8 | Very high | 88.2 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -113.5 | 27.3 | 179 | -45.8 | 171.5 | 0 | 0 | 0 | 112.9 | F419 L421 F433 L434 I455 I461 F464 F466 | F419-L431 HydrophobicContact CD2-CD1 4.49Å; L421-L431 HydrophobicContact CD1-CD2 3.93Å; L431-F433 HydrophobicContact CB-CE1 3.96Å; L431-F433 HydrophobicContact CB-CZ 4.28Å; L431-F433 HydrophobicContact CD2-CE1 3.73Å; L431-F433 HydrophobicContact CD2-CZ 4.03Å; L431-F433 HydrophobicContact CG-CE1 4.49Å; L431-F433 PolarHBondContact O-N 3.49Å; L431-L434 PolarHBondContact O-N 2.95Å; L431-I455 HydrophobicContact CD1-CD1 3.39Å; L431-I455 HydrophobicContact CD1-CG2 4.22Å; L431-I461 HydrophobicContact CD2-CD1 3.7Å; L431-I461 HydrophobicContact CG-CD1 4.33Å; L431-I461 HydrophobicContact CG-CG2 4.45Å; L431-F464 WeakPolarHBondContact CB-O 3.29Å; L431-F466 HydrophobicContact CB-CD1 4.27Å; L431-F466 HydrophobicContact CB-CE1 3.65Å; L431-F466 HydrophobicContact CD1-CE1 4.35Å; L431-F466 WeakPolarHBondContact O-CE1 3.4Å | ||
| 432 | T | 93.2 | Very high | 86.7 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -66.3 | -5.2 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 114.2 | Y405 N430 L434 E435 M531 | Y405-T432 PolarHBondContact OH-OG1 3.27Å; N430-T432 HydrophobicContact CB-CG2 4.23Å; N430-T432 WeakPolarHBondContact OD1-CB 3.3Å; N430-T432 WeakPolarHBondContact OD1-CG2 3.25Å; N430-T432 PolarHBondContact OD1-N 2.04Å; N430-T432 PolarHBondContact OD1-OG1 2.93Å; T432-L434 PolarHBondContact O-N 3.4Å; T432-E435 VanDerWaalsContact O-CB 3.29Å; T432-E435 WeakPolarHBondContact O-CB 3.49Å; T432-E435 WeakPolarHBondContact O-CG 3.4Å; T432-E435 PolarHBondContact O-N 2.93Å; T432-M531 HydrophobicContact CG2-CE 3.53Å; T432-M531 HydrophobicContact CG2-SD 4.38Å |
| 433 | F | 92 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -64.3 | -12.1 | 169.2 | 61.6 | -98.9 | 0 | 0 | 0 | 114 | I383 L404 Y405 L407 L408 F419 L428 L431 | I383-F433 HydrophobicContact CD1-CE2 4.25Å; I383-F433 HydrophobicContact CD1-CZ 3.9Å; L404-F433 HydrophobicContact CB-CB 3.79Å; L404-F433 HydrophobicContact CB-CD1 3.86Å; L404-F433 HydrophobicContact CB-CD2 3.92Å; L404-F433 HydrophobicContact CB-CE1 4.39Å; L404-F433 HydrophobicContact CB-CE2 4.45Å; L404-F433 HydrophobicContact CB-CG 3.6Å; L404-F433 HydrophobicContact CD1-CD1 3.96Å; L404-F433 HydrophobicContact CD1-CE1 3.83Å; L404-F433 HydrophobicContact CD1-CZ 4.29Å; L404-F433 HydrophobicContact CD2-CD2 4.35Å; L404-F433 HydrophobicContact CD2-CE2 4.1Å; L404-F433 HydrophobicContact CD2-CZ 4.19Å; L404-F433 HydrophobicContact CG-CD1 4.41Å; L404-F433 HydrophobicContact CG-CE1 4.48Å; L404-F433 HydrophobicContact CG-CG 4.48Å; Y405-F433 HydrophobicContact CD1-CB 4.07Å; Y405-F433 HydrophobicContact CD2-CB 4.04Å; Y405-F433 HydrophobicContact CE1-CB 4.21Å; Y405-F433 HydrophobicContact CE2-CB 4.2Å; Y405-F433 HydrophobicContact CG-CB 3.99Å; L407-F433 CarbonylContact C-O 2.85Å; L407-F433 HydrophobicContact CD1-CD2 3.79Å; L407-F433 HydrophobicContact CD1-CE2 3.95Å; L408-F433 WeakPolarHBondContact CA-O 3.49Å; L408-F433 PolarHBondContact N-O 3.02Å; F419-F433 HydrophobicContact CD2-CZ 4.34Å; F419-F433 AromaticContact CE2-CE2 3.76Å; F419-F433 HydrophobicContact CE2-CE2 3.76Å; F419-F433 AromaticContact CE2-CZ 3.58Å; F419-F433 HydrophobicContact CE2-CZ 3.58Å; F419-F433 AromaticContact CZ-CE2 3.79Å; F419-F433 HydrophobicContact CZ-CE2 3.79Å; F419-F433 HydrophobicContact CZ-CZ 4.02Å; L428-F433 HydrophobicContact CD1-CD1 4.41Å; L428-F433 HydrophobicContact CD1-CE1 4.19Å; L431-F433 HydrophobicContact CB-CE1 3.96Å; L431-F433 HydrophobicContact CB-CZ 4.28Å; L431-F433 HydrophobicContact CD2-CE1 3.73Å; L431-F433 HydrophobicContact CD2-CZ 4.03Å; L431-F433 HydrophobicContact CG-CE1 4.49Å; L431-F433 PolarHBondContact O-N 3.49Å |
| 434 | L | 93.8 | Very high | 83.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -115.5 | 27 | 168.2 | -77.1 | 175.2 | 0 | 0 | 0 | 112.4 | L381 L407 L410 I417 F419 L431 T432 N436 L437 F466 | L381-L434 HydrophobicContact CD1-CD1 4.16Å; L381-L434 HydrophobicContact CD1-CD2 4.19Å; L407-L434 HydrophobicContact CB-CD2 3.85Å; L407-L434 HydrophobicContact CB-CG 4.46Å; L410-L434 HydrophobicContact CB-CD2 4.5Å; L410-L434 HydrophobicContact CD1-CD2 4.3Å; I417-L434 HydrophobicContact CD1-CD1 3.89Å; F419-L434 HydrophobicContact CE2-CD1 4.01Å; F419-L434 HydrophobicContact CZ-CD1 3.65Å; L431-L434 PolarHBondContact O-N 2.95Å; T432-L434 PolarHBondContact O-N 3.4Å; L434-N436 PolarHBondContact O-N 2.88Å; L434-L437 HydrophobicContact CB-CB 4.33Å; L434-L437 HydrophobicContact CB-CD2 4.4Å; L434-L437 HydrophobicContact CD1-CD2 4.21Å; L434-L437 HydrophobicContact CD2-CD2 4.33Å; L434-L437 VanDerWaalsContact O-CB 3.26Å; L434-L437 WeakPolarHBondContact O-CB 3.41Å; L434-L437 PolarHBondContact O-N 3.27Å; L434-F466 HydrophobicContact CB-CD1 3.93Å; L434-F466 HydrophobicContact CB-CE1 3.63Å; L434-F466 HydrophobicContact CB-CZ 4.07Å; L434-F466 HydrophobicContact CD1-CE1 4.05Å; L434-F466 HydrophobicContact CD1-CE2 4.36Å; L434-F466 HydrophobicContact CD1-CZ 3.7Å; L434-F466 HydrophobicContact CG-CE1 4.45Å |
| 435 | E | 92.1 | Very high | 81 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -35.2 | -176.6 | 65.8 | 165.4 | -174.2 | 0 | 0 | 113.4 | L408 T432 L437 G465 K467 S468 | L408-E435 HydrophobicContact CD1-CG 3.64Å; T432-E435 VanDerWaalsContact O-CB 3.29Å; T432-E435 WeakPolarHBondContact O-CB 3.49Å; T432-E435 WeakPolarHBondContact O-CG 3.4Å; T432-E435 PolarHBondContact O-N 2.93Å; E435-L437 VanDerWaalsContact C-N 3.29Å; E435-L437 PolarHBondContact O-N 3.22Å; E435-G465 WeakPolarHBondContact CA-O 3.43Å; E435-G465 WeakPolarHBondContact CB-O 3.24Å; E435-K467 HydrophobicContact CB-CD 4.05Å; E435-K467 HydrophobicContact CB-CG 4.07Å; E435-K467 VanDerWaalsContact CD-CE 3.49Å; E435-K467 HydrophobicContact CG-CD 4.48Å; E435-K467 WeakPolarHBondContact O-CG 3.21Å; E435-K467 PolarHBondContact O-N 3.37Å; E435-K467 IonicContact OE1-NZ 2.75Å; E435-K467 PolarHBondContact OE1-NZ 2.75Å; E435-K467 WeakPolarHBondContact OE2-CD 3Å; E435-K467 WeakPolarHBondContact OE2-CE 3.3Å; E435-K467 IonicContact OE2-NZ 3.44Å; E435-K467 PolarHBondContact OE2-NZ 3.35Å; E435-S468 VanDerWaalsContact O-CB 3.3Å; E435-S468 WeakPolarHBondContact O-CB 3.26Å; E435-S468 PolarHBondContact O-N 3.27Å; E435-S468 PolarHBondContact O-OG 2.96Å |
| 436 | N | 89.9 | Confident | 78.3 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 7.1 | -176.4 | -59.2 | -45.8 | 0 | 0 | 0 | 114.3 | L408 L410 L434 E438 | L408-N436 WeakPolarHBondContact CD1-ND2 3.13Å; L408-N436 PolarHBondContact O-ND2 3.21Å; L410-N436 CarbonylContact O-C 3.21Å; L434-N436 PolarHBondContact O-N 2.88Å; N436-E438 PolarHBondContact O-N 2.99Å |
| 437 | L | 91.5 | Very high | 75.7 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -74.6 | 107 | -179 | 179 | 63.5 | 0 | 0 | 0 | 110.7 | L410 I413 I417 L434 E435 S439 V440 F466 S468 L469 | L410-L437 WeakPolarHBondContact O-CA 3.32Å; I413-L437 HydrophobicContact CD1-CD1 3.64Å; I413-L437 HydrophobicContact CD1-CD2 3.87Å; I413-L437 HydrophobicContact CD1-CG 4.43Å; I413-L437 HydrophobicContact CG1-CD1 3.79Å; I417-L437 HydrophobicContact CD1-CD2 3.56Å; L434-L437 HydrophobicContact CB-CB 4.33Å; L434-L437 HydrophobicContact CB-CD2 4.4Å; L434-L437 HydrophobicContact CD1-CD2 4.21Å; L434-L437 HydrophobicContact CD2-CD2 4.33Å; L434-L437 VanDerWaalsContact O-CB 3.26Å; L434-L437 WeakPolarHBondContact O-CB 3.41Å; L434-L437 PolarHBondContact O-N 3.27Å; E435-L437 VanDerWaalsContact C-N 3.29Å; E435-L437 PolarHBondContact O-N 3.22Å; L437-S439 WeakPolarHBondContact CD1-O 3.44Å; L437-V440 HydrophobicContact CD1-CG2 4.3Å; L437-V440 HydrophobicContact CD2-CG2 3.67Å; L437-V440 HydrophobicContact CG-CG2 4.11Å; L437-F466 HydrophobicContact CD2-CD2 4.42Å; L437-F466 HydrophobicContact CD2-CE2 4.39Å; L437-S468 CarbonylContact O-C 3.49Å; L437-L469 HydrophobicContact CG-CD1 4.42Å; L437-L469 VanDerWaalsContact O-CA 3.23Å; L437-L469 WeakPolarHBondContact O-CA 3.41Å; L437-L469 PolarHBondContact O-N 2.96Å | ||
| 438 | E | 86 | Confident | 73.2 | Confident | 70 Ų | 70 | 31.7 Ų | 31.7 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | trans | -81.3 | -35.2 | -177 | -64.8 | 164 | -175 | 0 | 0 | 112.4 | K411 N436 S468 T470 N471 | K411-E438 IonicContact NZ-OE1 2.65Å; K411-E438 PolarHBondContact NZ-OE1 2.78Å; K411-E438 WeakPolarHBondContact O-CA 3.25Å; K411-E438 WeakPolarHBondContact O-CB 3.3Å; K411-E438 PolarHBondContact O-N 3.27Å; N436-E438 PolarHBondContact O-N 2.99Å; E438-S468 WeakPolarHBondContact CA-O 3.33Å; E438-T470 PolarHBondContact O-N 2.94Å; E438-T470 PolarHBondContact O-OG1 2.67Å; E438-T470 VanDerWaalsContact O-OG1 3.12Å; E438-N471 PolarHBondContact O-N 2.76Å | ||
| 439 | S | 79.1 | Confident | 70.9 | Confident | 19 Ų | 19 | 35.6 Ų | 35.6 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 141.8 | -171.6 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | K411 S412 I413 L437 N471 | K411-S439 PolarHBondContact O-N 3.01Å; S412-S439 WeakPolarHBondContact CA-O 3.48Å; S412-S439 VanDerWaalsContact CB-OG 3.28Å; S412-S439 WeakPolarHBondContact CB-OG 3Å; S412-S439 PolarHBondContact OG-OG 2.79Å; I413-S439 PolarHBondContact N-O 2.67Å; L437-S439 WeakPolarHBondContact CD1-O 3.44Å; S439-N471 CarbonylContact C-O 3.56Å; S439-N471 VanDerWaalsContact CA-O 3.24Å; S439-N471 WeakPolarHBondContact CA-O 3.2Å |
| 440 | V | 76.9 | Confident | 68.9 | Low | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 101.4 | 169.4 | -166.9 | 0 | 0 | 0 | 0 | 108.9 | I413 I417 L437 V452 I453 L469 N471 I472 G473 | I413-V440 HydrophobicContact CB-CG1 4.2Å; I413-V440 HydrophobicContact CB-CG2 4.49Å; I413-V440 HydrophobicContact CD1-CG2 4.5Å; I413-V440 HydrophobicContact CG2-CG1 4.16Å; I413-V440 WeakPolarHBondContact O-CA 3.07Å; I417-V440 HydrophobicContact CD1-CG2 4.02Å; I417-V440 HydrophobicContact CG1-CG1 4.45Å; L437-V440 HydrophobicContact CD1-CG2 4.3Å; L437-V440 HydrophobicContact CD2-CG2 3.67Å; L437-V440 HydrophobicContact CG-CG2 4.11Å; V440-V452 HydrophobicContact CB-CG1 4Å; V440-V452 HydrophobicContact CG1-CG1 3.53Å; V440-V452 WeakPolarHBondContact O-CG1 3.48Å; V440-I453 HydrophobicContact CG2-CD1 4.42Å; V440-L469 HydrophobicContact CG2-CD1 4.2Å; V440-N471 PolarHBondContact N-O 2.74Å; V440-I472 VanDerWaalsContact O-CA 3.3Å; V440-I472 WeakPolarHBondContact O-CA 3.31Å; V440-G473 PolarHBondContact O-N 3.11Å |
| 441 | V | 68.5 | Low | 67.7 | Low | 52 Ų | 52 | 29.7 Ų | 29.7 | 32% | 0.315 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.2 | -177 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | I413 V414 G415 E443 | I413-V441 PolarHBondContact O-N 2.8Å; V414-V441 CarbonylContact C-O 3.37Å; V414-V441 VanDerWaalsContact CA-O 3.28Å; V414-V441 WeakPolarHBondContact CA-O 3.21Å; G415-V441 PolarHBondContact N-O 3.26Å; G415-V441 CarbonylContact O-C 3.42Å; V441-E443 PolarHBondContact O-N 2.93Å |
| 442 | L | 62.1 | Low | 67 | Low | 22 Ų | 22 | 29.6 Ų | 29.6 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | trans | -56.8 | 123.8 | 176.7 | -79.6 | 169 | 0 | 0 | 0 | 110.5 | G415 Y416 V444 V452 | G415-L442 WeakPolarHBondContact O-CA 3.24Å; Y416-L442 HydrophobicContact CD1-CD2 4.08Å; Y416-L442 HydrophobicContact CG-CD2 4.34Å; L442-V444 PolarHBondContact O-N 3.39Å; L442-V452 HydrophobicContact CD1-CG2 3.73Å; L442-V452 HydrophobicContact CG-CG1 4.4Å; L442-V452 HydrophobicContact CG-CG2 3.83Å | ||
| 443 | E | 54.6 | Low | 66.8 | Low | 55 Ų | 55 | 28.8 Ų | 28.8 | 26% | 0.257 | 16% | 0.159 | S | C | . | . | trans | -58 | 131.2 | 160.4 | -156.5 | -163.7 | -177.5 | 0 | 0 | 107.8 | V414 V441 K445 S446 | V414-E443 HydrophobicContact CG1-CB 3.92Å; V414-E443 HydrophobicContact CG1-CG 4Å; V441-E443 PolarHBondContact O-N 2.93Å; E443-K445 PolarHBondContact O-N 3.47Å; E443-K445 WeakPolarHBondContact OE1-CE 3.4Å; E443-K445 IonicContact OE1-NZ 3.81Å; E443-K445 PolarHBondContact OE1-NZ 3.17Å; E443-K445 VanDerWaalsContact OE2-CD 3.3Å; E443-K445 WeakPolarHBondContact OE2-CD 3.45Å; E443-K445 WeakPolarHBondContact OE2-CE 3.26Å; E443-K445 IonicContact OE2-NZ 2.74Å; E443-K445 PolarHBondContact OE2-NZ 2.94Å; E443-S446 PolarHBondContact O-N 3.42Å | ||
| 444 | V | 47.3 | Very low | 66.7 | Low | 45 Ų | 45 | 29.4 Ų | 29.4 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 33.6 | -156.7 | -147.9 | 0 | 0 | 0 | 0 | 113.7 | L19 P313 L442 | L19-V444 HydrophobicContact CD1-CB 4.06Å; L19-V444 HydrophobicContact CD1-CG1 3.74Å; L19-V444 HydrophobicContact CD2-CG1 3.71Å; L19-V444 HydrophobicContact CG-CG1 4.13Å; P313-V444 HydrophobicContact CB-CG2 3.69Å; P313-V444 HydrophobicContact CG-CB 4.3Å; P313-V444 HydrophobicContact CG-CG1 4.32Å; P313-V444 HydrophobicContact CG-CG2 3.83Å; L442-V444 PolarHBondContact O-N 3.39Å |
| 445 | K | 40.5 | Very low | 66.7 | Low | 61 Ų | 61 | 29.4 Ų | 29.4 | 27% | 0.265 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -14.7 | 168.2 | -59.1 | 172.2 | -172.3 | 158.3 | 0 | 111.6 | E443 K1314 T1315 | E443-K445 PolarHBondContact O-N 3.47Å; E443-K445 WeakPolarHBondContact OE1-CE 3.4Å; E443-K445 IonicContact OE1-NZ 3.81Å; E443-K445 PolarHBondContact OE1-NZ 3.17Å; E443-K445 VanDerWaalsContact OE2-CD 3.3Å; E443-K445 WeakPolarHBondContact OE2-CD 3.45Å; E443-K445 WeakPolarHBondContact OE2-CE 3.26Å; E443-K445 IonicContact OE2-NZ 2.74Å; E443-K445 PolarHBondContact OE2-NZ 2.94Å; K445-K1314 PolarHBondContact NZ-O 3.25Å; K445-T1315 HydrophobicContact CD-CG2 4.04Å; K445-T1315 HydrophobicContact CG-CG2 4.43Å |
| 446 | S | 32.4 | Very low | 66.7 | Low | 23 Ų | 23 | 28.7 Ų | 28.7 | 16% | 0.161 | 16% | 0.16 | C | C | . | . | trans | -104 | 149.3 | 167.5 | -172.8 | 0 | 0 | 0 | 0 | 110.5 | E443 | E443-S446 PolarHBondContact O-N 3.42Š| ||
| 447 | Q | 33 | Very low | 66.8 | Low | 45 Ų | 45 | 27.2 Ų | 27.2 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | trans | -148.7 | 0.6 | -163.6 | -134.5 | 165.2 | 89.4 | 0 | 0 | 116 | N15 C16 S18 | N15-Q447 WeakPolarHBondContact O-CB 3.22Å; N15-Q447 PolarHBondContact O-OE1 3.39Å; C16-Q447 VanDerWaalsContact C-CD 3.47Å; C16-Q447 VanDerWaalsContact C-OE1 3.24Å; C16-Q447 HydrophobicContact CB-CB 4.29Å; C16-Q447 PolarHBondContact O-NE2 2.81Å; S18-Q447 PolarHBondContact O-OE1 2.97Å; S18-Q447 VanDerWaalsContact O-OE1 3.05Å | ||
| 448 | S | 36.6 | Very low | 66.7 | Low | 21 Ų | 21 | 27.3 Ų | 27.3 | 15% | 0.147 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -82.3 | 149.8 | 143.7 | 61.4 | 0 | 0 | 0 | 0 | 107.7 | G450 F1332 | S448-G450 PolarHBondContact O-N 3.25Å; S448-F1332 VanDerWaalsContact OG-CB 3.31Å; S448-F1332 WeakPolarHBondContact OG-CB 3.11Å; S448-F1332 WeakPolarHBondContact OG-CD2 3.04Å; S448-F1332 WeakPolarHBondContact OG-CG 3.37Å |
| 449 | P | 42.4 | Very low | 66.9 | Low | 89 Ų | 89 | 30.5 Ų | 30.5 | 58% | 0.578 | 17% | 0.168 | S | C | * | . | trans | -63.2 | 93.2 | 156.1 | 28.9 | -31.3 | 0 | 0 | 0 | 106.1 | Y475 | P449-Y475 WeakPolarHBondContact O-CD1 3.2Å; P449-Y475 WeakPolarHBondContact O-CE1 3.4Å | ||
| 450 | G | 50.4 | Low | 67.5 | Low | 4 Ų | 4 | 31 Ų | 31 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | trans | -69.8 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S448 V452 Y475 | S448-G450 PolarHBondContact O-N 3.25Å; G450-V452 VanDerWaalsContact C-N 3.27Å; G450-V452 PolarHBondContact O-N 2.94Å; G450-Y475 PolarHBondContact O-N 3.17Å | ||
| 451 | A | 66.5 | Low | 68.3 | Low | 9 Ų | 9 | 31 Ų | 31 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 88.5 | 162 | 0 | 0 | 0 | 0 | 0 | 108.6 | I453 T454 Y475 Y477 | A451-I453 CarbonylContact O-C 3.59Å; A451-I453 PolarHBondContact O-N 2.94Å; A451-T454 WeakPolarHBondContact CB-OG1 3.29Å; A451-T454 PolarHBondContact O-OG1 2.84Å; A451-Y475 CarbonylContact C-O 3.51Å; A451-Y475 VanDerWaalsContact CA-O 3.31Å; A451-Y475 WeakPolarHBondContact CA-O 3.4Å; A451-Y475 HydrophobicContact CB-CD2 4.18Å; A451-Y475 HydrophobicContact CB-CE2 3.69Å; A451-Y477 VanDerWaalsContact CB-CB 3.46Å; A451-Y477 HydrophobicContact CB-CG 4.5Å |
| 452 | V | 77.7 | Confident | 69.5 | Low | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -28.9 | -176.6 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | Y416 I417 V440 L442 G450 I472 Y475 | Y416-V452 CarbonylContact C-O 3.42Å; Y416-V452 WeakPolarHBondContact CA-O 3.12Å; Y416-V452 WeakPolarHBondContact CB-O 3.38Å; I417-V452 PolarHBondContact N-O 2.77Å; V440-V452 HydrophobicContact CB-CG1 4Å; V440-V452 HydrophobicContact CG1-CG1 3.53Å; V440-V452 WeakPolarHBondContact O-CG1 3.48Å; L442-V452 HydrophobicContact CD1-CG2 3.73Å; L442-V452 HydrophobicContact CG-CG1 4.4Å; L442-V452 HydrophobicContact CG-CG2 3.83Å; G450-V452 VanDerWaalsContact C-N 3.27Å; G450-V452 PolarHBondContact O-N 2.94Å; V452-I472 HydrophobicContact CB-CG2 3.65Å; V452-I472 HydrophobicContact CG1-CG2 3.59Å; V452-I472 HydrophobicContact CG2-CG2 4.28Å; V452-Y475 PolarHBondContact N-O 3.22Å |
| 453 | I | 89.1 | Confident | 70.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.9 | 157.6 | -56.2 | 175.1 | 0 | 0 | 0 | 107.2 | I417 V440 A451 I455 F464 F466 L469 I472 V476 Y477 | I417-I453 HydrophobicContact CB-CB 4.43Å; I417-I453 HydrophobicContact CB-CG1 4.21Å; I417-I453 HydrophobicContact CB-CG2 4.21Å; I417-I453 HydrophobicContact CD1-CG1 4.31Å; I417-I453 HydrophobicContact CG2-CG2 4.11Å; I417-I453 CarbonylContact O-C 3.38Å; I417-I453 WeakPolarHBondContact O-CA 3.35Å; V440-I453 HydrophobicContact CG2-CD1 4.42Å; A451-I453 CarbonylContact O-C 3.59Å; A451-I453 PolarHBondContact O-N 2.94Å; I453-I455 HydrophobicContact CG2-CD1 3.88Å; I453-I455 HydrophobicContact CG2-CG1 3.69Å; I453-F464 HydrophobicContact CG2-CZ 4.33Å; I453-F466 HydrophobicContact CD1-CD2 4.06Å; I453-F466 HydrophobicContact CD1-CE2 3.95Å; I453-F466 HydrophobicContact CG2-CE2 4.39Å; I453-L469 HydrophobicContact CD1-CD1 4.47Å; I453-L469 HydrophobicContact CD1-CD2 3.87Å; I453-I472 HydrophobicContact CD1-CD1 3.71Å; I453-I472 HydrophobicContact CG1-CD1 4.48Å; I453-V476 HydrophobicContact CB-CB 4.46Å; I453-V476 HydrophobicContact CB-CG1 3.92Å; I453-V476 HydrophobicContact CB-CG2 3.96Å; I453-V476 HydrophobicContact CD1-CG2 4.42Å; I453-V476 HydrophobicContact CG1-CG2 4.41Å; I453-V476 HydrophobicContact CG2-CG1 4.18Å; I453-V476 CarbonylContact O-C 3.47Å; I453-V476 WeakPolarHBondContact O-CA 3.39Å; I453-V476 WeakPolarHBondContact O-CG1 3.43Å; I453-Y477 PolarHBondContact O-N 2.98Å |
| 454 | T | 91 | Very high | 72.6 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 9% | 0.086 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.1 | 168.9 | -61.7 | 0 | 0 | 0 | 0 | 107.8 | I417 Y418 F419 A451 M456 Y477 | I417-T454 PolarHBondContact O-N 3.13Å; Y418-T454 CarbonylContact C-O 3.57Å; Y418-T454 WeakPolarHBondContact CA-O 3.15Å; Y418-T454 HydrophobicContact CD2-CG2 3.62Å; Y418-T454 HydrophobicContact CE2-CG2 3.58Å; Y418-T454 HydrophobicContact CG-CG2 4.48Å; F419-T454 PolarHBondContact N-O 3.45Å; A451-T454 WeakPolarHBondContact CB-OG1 3.29Å; A451-T454 PolarHBondContact O-OG1 2.84Å; T454-M456 HydrophobicContact CG2-SD 4.49Å; T454-Y477 CarbonylContact C-O 3.34Å; T454-Y477 WeakPolarHBondContact CA-O 3.42Å; T454-Y477 HydrophobicContact CG2-CD1 4.09Å |
| 455 | I | 92.9 | Very high | 74.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.5 | 174 | -45.1 | -164.4 | 0 | 0 | 0 | 109.1 | F419 L421 L431 I453 F464 F466 Y477 L478 K479 M481 | F419-I455 HydrophobicContact CB-CB 4.48Å; F419-I455 HydrophobicContact CB-CG1 4.36Å; F419-I455 HydrophobicContact CB-CG2 4.06Å; F419-I455 HydrophobicContact CD2-CD1 4.19Å; F419-I455 CarbonylContact O-C 3.57Å; F419-I455 VanDerWaalsContact O-CA 3.28Å; F419-I455 WeakPolarHBondContact O-CA 3.38Å; L421-I455 HydrophobicContact CD1-CG2 3.75Å; L421-I455 HydrophobicContact CG-CG2 4.43Å; L431-I455 HydrophobicContact CD1-CD1 3.39Å; L431-I455 HydrophobicContact CD1-CG2 4.22Å; I453-I455 HydrophobicContact CG2-CD1 3.88Å; I453-I455 HydrophobicContact CG2-CG1 3.69Å; I455-F464 HydrophobicContact CD1-CD2 4.27Å; I455-F464 HydrophobicContact CD1-CE2 3.53Å; I455-F464 HydrophobicContact CD1-CZ 4.04Å; I455-F464 HydrophobicContact CG1-CE2 4.41Å; I455-F466 HydrophobicContact CD1-CZ 4.44Å; I455-Y477 PolarHBondContact N-O 2.66Å; I455-L478 HydrophobicContact CB-CD2 4.01Å; I455-L478 HydrophobicContact CG1-CD2 4.24Å; I455-L478 CarbonylContact O-C 3.51Å; I455-L478 VanDerWaalsContact O-CA 3.27Å; I455-L478 WeakPolarHBondContact O-CA 3.42Å; I455-K479 PolarHBondContact O-N 3.22Å; I455-M481 HydrophobicContact CB-CE 3.95Å; I455-M481 HydrophobicContact CB-SD 4.38Å; I455-M481 HydrophobicContact CG2-CE 3.91Å; I455-M481 HydrophobicContact CG2-SD 3.67Å; I455-M481 WeakPolarHBondContact O-CE 3.34Å |
| 456 | M | 92.6 | Very high | 77 | Confident | 24 Ų | 24 | 23.6 Ų | 23.6 | 12% | 0.118 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 156 | -176.8 | 56.1 | -172.5 | -89.5 | 0 | 0 | 114.9 | F419 D420 L421 T454 G458 K479 | F419-M456 PolarHBondContact O-N 3.48Å; D420-M456 CarbonylContact C-O 3.33Å; D420-M456 HydrophobicContact CB-CG 3.97Å; L421-M456 PolarHBondContact N-O 2.95Å; T454-M456 HydrophobicContact CG2-SD 4.49Å; M456-G458 PolarHBondContact O-N 3.38Å; M456-K479 CarbonylContact C-O 3.48Å; M456-K479 WeakPolarHBondContact CA-O 3.04Å; M456-K479 HydrophobicContact CB-CB 3.93Å; M456-K479 HydrophobicContact CB-CG 4.49Å; M456-K479 WeakPolarHBondContact CB-O 3.04Å |
| 457 | N | 92.4 | Very high | 79.7 | Confident | 19 Ų | 19 | 23.9 Ų | 23.9 | 10% | 0.102 | 13% | 0.129 | C | C | . | . | trans | 61 | 22.5 | 175.7 | -51.2 | -55.1 | 0 | 0 | 0 | 115.7 | D420 L421 R422 E459 K479 N480 | D420-N457 PolarHBondContact OD1-ND2 3.09Å; L421-N457 CarbonylContact C-O 3.45Å; R422-N457 HydrophobicContact CB-CB 4.4Å; R422-N457 HydrophobicContact CG-CB 3.44Å; R422-N457 VanDerWaalsContact CG-CB 3.44Å; R422-N457 PolarHBondContact NE-ND2 3.31Å; N457-E459 VanDerWaalsContact C-N 3.29Å; N457-E459 PolarHBondContact O-N 3.32Å; N457-K479 PolarHBondContact N-O 2.91Å; N457-N480 CarbonylContact C-O 3.39Å; N457-N480 WeakPolarHBondContact CA-O 3.38Å; N457-N480 PolarHBondContact N-O 3.06Å; N457-N480 WeakPolarHBondContact OD1-CB 3.38Å; N457-N480 PolarHBondContact OD1-ND2 3.08Å | ||
| 458 | G | 89.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | trans | -74.4 | 74 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M456 N460 I461 N480 | M456-G458 PolarHBondContact O-N 3.38Å; G458-N460 PolarHBondContact O-N 2.84Å; G458-I461 PolarHBondContact O-N 3.03Å; G458-N480 PolarHBondContact N-O 2.84Å | ||
| 459 | E | 89.2 | Confident | 84.6 | Confident | 136 Ų | 136 | 22.5 Ų | 22.5 | 64% | 0.636 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.2 | -179.9 | -67 | -171 | -168.9 | 0 | 0 | 113.9 | N457 K483 | N457-E459 VanDerWaalsContact C-N 3.29Å; N457-E459 PolarHBondContact O-N 3.32Å; E459-K483 WeakPolarHBondContact O-CD 3.21Å; E459-K483 WeakPolarHBondContact O-CE 3.4Å; E459-K483 WeakPolarHBondContact O-CG 3.45Å; E459-K483 PolarHBondContact O-NZ 3.45Å |
| 460 | N | 92.4 | Very high | 86.1 | Confident | 29 Ų | 29 | 23.9 Ų | 23.9 | 16% | 0.155 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -4.7 | -179.8 | -68.5 | -46.5 | 0 | 0 | 0 | 114.5 | K429 G458 E462 K483 | K429-N460 WeakPolarHBondContact CA-O 3.42Å; G458-N460 PolarHBondContact O-N 2.84Å; N460-E462 PolarHBondContact O-N 3.19Å; N460-K483 PolarHBondContact OD1-NZ 2.74Å |
| 461 | I | 93.7 | Very high | 87 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | -73.8 | 122.4 | -179.3 | -55.3 | -66.3 | 0 | 0 | 0 | 109.7 | L421 L428 L431 G458 S463 K483 L484 | L421-I461 HydrophobicContact CD1-CD1 3.88Å; L421-I461 HydrophobicContact CD1-CG1 3.64Å; L428-I461 HydrophobicContact CD2-CD1 4.25Å; L428-I461 HydrophobicContact CG-CD1 3.99Å; L428-I461 VanDerWaalsContact O-CD1 3.31Å; L428-I461 WeakPolarHBondContact O-CD1 2.97Å; L431-I461 HydrophobicContact CD2-CD1 3.7Å; L431-I461 HydrophobicContact CG-CD1 4.33Å; L431-I461 HydrophobicContact CG-CG2 4.45Å; G458-I461 PolarHBondContact O-N 3.03Å; I461-S463 WeakPolarHBondContact CG2-O 3.06Å; I461-K483 CarbonylContact O-C 3.6Å; I461-K483 WeakPolarHBondContact O-CB 3.47Å; I461-L484 HydrophobicContact CG2-CD1 3.88Å; I461-L484 WeakPolarHBondContact O-CA 3.39Å; I461-L484 PolarHBondContact O-N 2.97Å | ||
| 462 | E | 92.8 | Very high | 87.2 | Confident | 59 Ų | 59 | 28.5 Ų | 28.5 | 28% | 0.276 | 15% | 0.153 | S | C | . | . | trans | -104 | -26.1 | 179.9 | -73.7 | 161.3 | -170.8 | 0 | 0 | 111.7 | K429 N460 K483 C485 Y486 | K429-E462 IonicContact NZ-OE1 3.96Å; K429-E462 PolarHBondContact NZ-OE1 3.19Å; K429-E462 IonicContact NZ-OE2 2.95Å; K429-E462 PolarHBondContact NZ-OE2 3.16Å; K429-E462 PolarHBondContact O-N 2.79Å; N460-E462 PolarHBondContact O-N 3.19Å; E462-K483 HydrophobicContact CG-CB 4.27Å; E462-C485 PolarHBondContact O-N 2.79Å; E462-Y486 VanDerWaalsContact O-CD2 3.29Å; E462-Y486 WeakPolarHBondContact O-CD2 3.24Å | ||
| 463 | S | 91.6 | Very high | 86.5 | Confident | 18 Ų | 18 | 30.2 Ų | 30.2 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -146.3 | 156.1 | 177.5 | 67.2 | 0 | 0 | 0 | 0 | 115 | K429 N430 I461 | K429-S463 PolarHBondContact O-N 3.12Å; N430-S463 WeakPolarHBondContact CA-O 3.14Å; N430-S463 VanDerWaalsContact CB-OG 3.26Å; N430-S463 WeakPolarHBondContact CB-OG 3.15Å; I461-S463 WeakPolarHBondContact CG2-O 3.06Å |
| 464 | F | 90.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | trans | -86.7 | -34.7 | -173.6 | -167 | -92.4 | 0 | 0 | 0 | 114.2 | L431 I453 I455 F466 L469 L478 L484 I487 L490 W525 | L431-F464 WeakPolarHBondContact CB-O 3.29Å; I453-F464 HydrophobicContact CG2-CZ 4.33Å; I455-F464 HydrophobicContact CD1-CD2 4.27Å; I455-F464 HydrophobicContact CD1-CE2 3.53Å; I455-F464 HydrophobicContact CD1-CZ 4.04Å; I455-F464 HydrophobicContact CG1-CE2 4.41Å; F464-F466 VanDerWaalsContact C-N 3.3Å; F464-F466 HydrophobicContact CD1-CB 3.94Å; F464-F466 HydrophobicContact CD1-CD1 4.39Å; F464-F466 HydrophobicContact CD1-CD2 4.35Å; F464-F466 AromaticContact CD1-CG 3.97Å; F464-F466 HydrophobicContact CD1-CG 3.97Å; F464-F466 HydrophobicContact CE1-CB 3.78Å; F464-F466 HydrophobicContact CE1-CD1 4.29Å; F464-F466 AromaticContact CE1-CD2 3.52Å; F464-F466 HydrophobicContact CE1-CD2 3.52Å; F464-F466 HydrophobicContact CE1-CE2 4.14Å; F464-F466 AromaticContact CE1-CG 3.59Å; F464-F466 HydrophobicContact CE1-CG 3.59Å; F464-F466 HydrophobicContact CZ-CD2 4.01Å; F464-F466 HydrophobicContact CZ-CE2 4.2Å; F464-F466 HydrophobicContact CZ-CG 4.43Å; F464-F466 WeakPolarHBondContact O-CD1 3.27Å; F464-F466 PolarHBondContact O-N 3.38Å; F464-L469 HydrophobicContact CE1-CD2 4.45Å; F464-L478 HydrophobicContact CE2-CD2 3.88Å; F464-L484 HydrophobicContact CB-CD1 4.4Å; F464-I487 HydrophobicContact CB-CG2 4.26Å; F464-I487 HydrophobicContact CD2-CG2 4.5Å; F464-L490 HydrophobicContact CD2-CD2 4.17Å; F464-L490 HydrophobicContact CE1-CD1 3.91Å; F464-L490 HydrophobicContact CE1-CD2 4.31Å; F464-L490 HydrophobicContact CE2-CD2 3.75Å; F464-L490 HydrophobicContact CZ-CD1 3.89Å; F464-L490 HydrophobicContact CZ-CD2 3.82Å; F464-L490 HydrophobicContact CZ-CG 4.47Å; F464-W525 AromaticContact CD1-CE3 3.59Å; F464-W525 HydrophobicContact CD1-CE3 3.59Å; F464-W525 AromaticContact CD1-CZ3 3.66Å; F464-W525 HydrophobicContact CD1-CZ3 3.66Å; F464-W525 HydrophobicContact CE1-CE3 4.22Å; F464-W525 AromaticContact CE1-CZ3 3.81Å; F464-W525 HydrophobicContact CE1-CZ3 3.81Å; F464-W525 HydrophobicContact CG-CE3 4.46Å; F464-W525 PolarHBondContact N-O 3.04Å | ||
| 465 | G | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 70.4 | -6.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | E435 K467 W525 | E435-G465 WeakPolarHBondContact CA-O 3.43Å; E435-G465 WeakPolarHBondContact CB-O 3.24Å; G465-K467 PolarHBondContact O-N 2.8Å; G465-W525 PolarHBondContact N-O 2.83Å | ||
| 466 | F | 91.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -78 | 63.8 | -178.7 | -66.6 | 10 | 0 | 0 | 0 | 112.1 | I417 F419 L431 L434 L437 I453 I455 F464 S468 L469 | I417-F466 HydrophobicContact CD1-CE2 3.86Å; I417-F466 HydrophobicContact CD1-CZ 4.31Å; F419-F466 HydrophobicContact CE2-CZ 4.08Å; L431-F466 HydrophobicContact CB-CD1 4.27Å; L431-F466 HydrophobicContact CB-CE1 3.65Å; L431-F466 HydrophobicContact CD1-CE1 4.35Å; L431-F466 WeakPolarHBondContact O-CE1 3.4Å; L434-F466 HydrophobicContact CB-CD1 3.93Å; L434-F466 HydrophobicContact CB-CE1 3.63Å; L434-F466 HydrophobicContact CB-CZ 4.07Å; L434-F466 HydrophobicContact CD1-CE1 4.05Å; L434-F466 HydrophobicContact CD1-CE2 4.36Å; L434-F466 HydrophobicContact CD1-CZ 3.7Å; L434-F466 HydrophobicContact CG-CE1 4.45Å; L437-F466 HydrophobicContact CD2-CD2 4.42Å; L437-F466 HydrophobicContact CD2-CE2 4.39Å; I453-F466 HydrophobicContact CD1-CD2 4.06Å; I453-F466 HydrophobicContact CD1-CE2 3.95Å; I453-F466 HydrophobicContact CG2-CE2 4.39Å; I455-F466 HydrophobicContact CD1-CZ 4.44Å; F464-F466 VanDerWaalsContact C-N 3.3Å; F464-F466 HydrophobicContact CD1-CB 3.94Å; F464-F466 HydrophobicContact CD1-CD1 4.39Å; F464-F466 HydrophobicContact CD1-CD2 4.35Å; F464-F466 AromaticContact CD1-CG 3.97Å; F464-F466 HydrophobicContact CD1-CG 3.97Å; F464-F466 HydrophobicContact CE1-CB 3.78Å; F464-F466 HydrophobicContact CE1-CD1 4.29Å; F464-F466 AromaticContact CE1-CD2 3.52Å; F464-F466 HydrophobicContact CE1-CD2 3.52Å; F464-F466 HydrophobicContact CE1-CE2 4.14Å; F464-F466 AromaticContact CE1-CG 3.59Å; F464-F466 HydrophobicContact CE1-CG 3.59Å; F464-F466 HydrophobicContact CZ-CD2 4.01Å; F464-F466 HydrophobicContact CZ-CE2 4.2Å; F464-F466 HydrophobicContact CZ-CG 4.43Å; F464-F466 WeakPolarHBondContact O-CD1 3.27Å; F464-F466 PolarHBondContact O-N 3.38Å; F466-S468 VanDerWaalsContact C-N 3.35Å; F466-S468 PolarHBondContact O-N 2.87Å; F466-L469 HydrophobicContact CB-CB 4.17Å; F466-L469 HydrophobicContact CB-CD2 4.07Å; F466-L469 HydrophobicContact CD2-CD2 4Å; F466-L469 VanDerWaalsContact O-CB 3.27Å; F466-L469 WeakPolarHBondContact O-CB 3.3Å; F466-L469 PolarHBondContact O-N 3.22Å | ||
| 467 | K | 87.9 | Confident | 84.2 | Confident | 30 Ų | 30 | 33.2 Ų | 33.2 | 13% | 0.13 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -33.6 | -167.4 | 75.4 | -171.5 | 176 | -174.9 | 0 | 115.5 | E435 G465 L469 W525 M531 E542 | E435-K467 HydrophobicContact CB-CD 4.05Å; E435-K467 HydrophobicContact CB-CG 4.07Å; E435-K467 VanDerWaalsContact CD-CE 3.49Å; E435-K467 HydrophobicContact CG-CD 4.48Å; E435-K467 WeakPolarHBondContact O-CG 3.21Å; E435-K467 PolarHBondContact O-N 3.37Å; E435-K467 IonicContact OE1-NZ 2.75Å; E435-K467 PolarHBondContact OE1-NZ 2.75Å; E435-K467 WeakPolarHBondContact OE2-CD 3Å; E435-K467 WeakPolarHBondContact OE2-CE 3.3Å; E435-K467 IonicContact OE2-NZ 3.44Å; E435-K467 PolarHBondContact OE2-NZ 3.35Å; G465-K467 PolarHBondContact O-N 2.8Å; K467-L469 VanDerWaalsContact C-N 3.35Å; K467-W525 PolarHBondContact O-NE1 2.89Å; K467-M531 HydrophobicContact CB-SD 4.35Å; K467-E542 WeakPolarHBondContact CE-OE2 3.36Å; K467-E542 IonicContact NZ-OE2 3.18Å; K467-E542 PolarHBondContact NZ-OE2 3.37Å |
| 468 | S | 87.1 | Confident | 84.1 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 23% | 0.231 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -2.4 | -175.3 | -64.6 | 0 | 0 | 0 | 0 | 114.5 | E435 L437 E438 F466 T470 | E435-S468 VanDerWaalsContact O-CB 3.3Å; E435-S468 WeakPolarHBondContact O-CB 3.26Å; E435-S468 PolarHBondContact O-N 3.27Å; E435-S468 PolarHBondContact O-OG 2.96Å; L437-S468 CarbonylContact O-C 3.49Å; E438-S468 WeakPolarHBondContact CA-O 3.33Å; F466-S468 VanDerWaalsContact C-N 3.35Å; F466-S468 PolarHBondContact O-N 2.87Å; S468-T470 PolarHBondContact O-N 3.19Å |
| 469 | L | 85.5 | Confident | 84.3 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | trans | -68.8 | 116.1 | -168.8 | -169.4 | 67.5 | 0 | 0 | 0 | 112.2 | L437 V440 I453 F464 F466 K467 I472 L490 W525 | L437-L469 HydrophobicContact CG-CD1 4.42Å; L437-L469 VanDerWaalsContact O-CA 3.23Å; L437-L469 WeakPolarHBondContact O-CA 3.41Å; L437-L469 PolarHBondContact O-N 2.96Å; V440-L469 HydrophobicContact CG2-CD1 4.2Å; I453-L469 HydrophobicContact CD1-CD1 4.47Å; I453-L469 HydrophobicContact CD1-CD2 3.87Å; F464-L469 HydrophobicContact CE1-CD2 4.45Å; F466-L469 HydrophobicContact CB-CB 4.17Å; F466-L469 HydrophobicContact CB-CD2 4.07Å; F466-L469 HydrophobicContact CD2-CD2 4Å; F466-L469 VanDerWaalsContact O-CB 3.27Å; F466-L469 WeakPolarHBondContact O-CB 3.3Å; F466-L469 PolarHBondContact O-N 3.22Å; K467-L469 VanDerWaalsContact C-N 3.35Å; L469-I472 HydrophobicContact CD1-CD1 3.94Å; L469-I472 HydrophobicContact CD1-CG1 4.11Å; L469-I472 HydrophobicContact CD2-CD1 3.55Å; L469-I472 HydrophobicContact CD2-CG1 4.48Å; L469-I472 HydrophobicContact CG-CD1 3.79Å; L469-I472 HydrophobicContact CG-CG1 4.19Å; L469-L490 HydrophobicContact CD2-CD1 4.46Å; L469-W525 HydrophobicContact CB-CH2 4.17Å; L469-W525 HydrophobicContact CB-CZ2 4.24Å; L469-W525 HydrophobicContact CD2-CH2 3.96Å; L469-W525 HydrophobicContact CD2-CZ3 4.34Å | ||
| 470 | T | 74.4 | Confident | 84.4 | Confident | 117 Ų | 117 | 31 Ų | 31 | 72% | 0.718 | 18% | 0.175 | S | C | * | . | trans | -129.1 | -23.2 | -174.2 | 50 | 0 | 0 | 0 | 0 | 114.8 | E438 S468 | E438-T470 PolarHBondContact O-N 2.94Å; E438-T470 PolarHBondContact O-OG1 2.67Å; E438-T470 VanDerWaalsContact O-OG1 3.12Å; S468-T470 PolarHBondContact O-N 3.19Å | ||
| 471 | N | 69.4 | Low | 84.4 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 47% | 0.471 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 116.6 | -176.8 | 179 | 4.4 | 0 | 0 | 0 | 111.5 | E438 S439 V440 | E438-N471 PolarHBondContact O-N 2.76Å; S439-N471 CarbonylContact C-O 3.56Å; S439-N471 VanDerWaalsContact CA-O 3.24Å; S439-N471 WeakPolarHBondContact CA-O 3.2Å; V440-N471 PolarHBondContact N-O 2.74Å |
| 472 | I | 69.5 | Low | 84.3 | Confident | 22 Ų | 22 | 32 Ų | 32 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.8 | 177.1 | -47.2 | -166.4 | 0 | 0 | 0 | 111 | V440 V452 I453 L469 G474 V476 L494 | V440-I472 VanDerWaalsContact O-CA 3.3Å; V440-I472 WeakPolarHBondContact O-CA 3.31Å; V452-I472 HydrophobicContact CB-CG2 3.65Å; V452-I472 HydrophobicContact CG1-CG2 3.59Å; V452-I472 HydrophobicContact CG2-CG2 4.28Å; I453-I472 HydrophobicContact CD1-CD1 3.71Å; I453-I472 HydrophobicContact CG1-CD1 4.48Å; L469-I472 HydrophobicContact CD1-CD1 3.94Å; L469-I472 HydrophobicContact CD1-CG1 4.11Å; L469-I472 HydrophobicContact CD2-CD1 3.55Å; L469-I472 HydrophobicContact CD2-CG1 4.48Å; L469-I472 HydrophobicContact CG-CD1 3.79Å; L469-I472 HydrophobicContact CG-CG1 4.19Å; I472-G474 PolarHBondContact O-N 3.09Å; I472-V476 HydrophobicContact CD1-CG2 4.21Å; I472-L494 HydrophobicContact CB-CD1 3.67Å; I472-L494 HydrophobicContact CD1-CD1 3.31Å; I472-L494 HydrophobicContact CG1-CD1 3.62Å; I472-L494 HydrophobicContact CG2-CD1 4.35Å |
| 473 | G | 63 | Low | 84.2 | Confident | 37 Ų | 37 | 33.2 Ų | 33.2 | 38% | 0.381 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -75.2 | 28.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V440 | V440-G473 PolarHBondContact O-N 3.11Š|
| 474 | G | 68.6 | Low | 84.3 | Confident | 18 Ų | 18 | 32.4 Ų | 32.4 | 19% | 0.186 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 161.5 | -161 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I472 | I472-G474 PolarHBondContact O-N 3.09Š|
| 475 | Y | 75.4 | Confident | 84.4 | Confident | 28 Ų | 28 | 32.5 Ų | 32.5 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 171 | -172.2 | 78.2 | -104.3 | 0 | 0 | 0 | 113.1 | P449 G450 A451 V452 P495 R497 | P449-Y475 WeakPolarHBondContact O-CD1 3.2Å; P449-Y475 WeakPolarHBondContact O-CE1 3.4Å; G450-Y475 PolarHBondContact O-N 3.17Å; A451-Y475 CarbonylContact C-O 3.51Å; A451-Y475 VanDerWaalsContact CA-O 3.31Å; A451-Y475 WeakPolarHBondContact CA-O 3.4Å; A451-Y475 HydrophobicContact CB-CD2 4.18Å; A451-Y475 HydrophobicContact CB-CE2 3.69Å; V452-Y475 PolarHBondContact N-O 3.22Å; Y475-P495 WeakPolarHBondContact CB-O 3.32Å; Y475-R497 HydrophobicContact CD2-CG 4.14Å; Y475-R497 HydrophobicContact CE2-CG 4.03Å; Y475-R497 PolarHBondContact OH-NH1 2.93Å |
| 476 | V | 84.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.9 | 177.8 | 179 | 0 | 0 | 0 | 0 | 111.3 | I453 I472 L478 L490 L494 P495 V496 R497 | I453-V476 HydrophobicContact CB-CB 4.46Å; I453-V476 HydrophobicContact CB-CG1 3.92Å; I453-V476 HydrophobicContact CB-CG2 3.96Å; I453-V476 HydrophobicContact CD1-CG2 4.42Å; I453-V476 HydrophobicContact CG1-CG2 4.41Å; I453-V476 HydrophobicContact CG2-CG1 4.18Å; I453-V476 CarbonylContact O-C 3.47Å; I453-V476 WeakPolarHBondContact O-CA 3.39Å; I453-V476 WeakPolarHBondContact O-CG1 3.43Å; I472-V476 HydrophobicContact CD1-CG2 4.21Å; V476-L478 HydrophobicContact CG1-CD2 3.91Å; V476-L478 HydrophobicContact CG1-CG 4.4Å; V476-L490 HydrophobicContact CB-CD1 4.48Å; V476-L490 HydrophobicContact CG1-CD1 4.31Å; V476-L490 HydrophobicContact CG1-CD2 3.91Å; V476-L490 HydrophobicContact CG1-CG 4.49Å; V476-L490 HydrophobicContact CG2-CD1 4.18Å; V476-L494 HydrophobicContact CG2-CD1 4.31Å; V476-P495 PolarHBondContact N-O 2.97Å; V476-V496 HydrophobicContact CB-CG2 4.49Å; V476-V496 CarbonylContact O-C 3.59Å; V476-V496 WeakPolarHBondContact O-CA 3.41Å; V476-R497 PolarHBondContact O-N 2.6Å |
| 477 | Y | 89.5 | Confident | 84.4 | Confident | 54 Ų | 54 | 34.5 Ų | 34.5 | 21% | 0.212 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.7 | -177.4 | -175.1 | -88.7 | 0 | 0 | 0 | 111.1 | A451 I453 T454 I455 K479 R497 I499 | A451-Y477 VanDerWaalsContact CB-CB 3.46Å; A451-Y477 HydrophobicContact CB-CG 4.5Å; I453-Y477 PolarHBondContact O-N 2.98Å; T454-Y477 CarbonylContact C-O 3.34Å; T454-Y477 WeakPolarHBondContact CA-O 3.42Å; T454-Y477 HydrophobicContact CG2-CD1 4.09Å; I455-Y477 PolarHBondContact N-O 2.66Å; Y477-K479 HydrophobicContact CD1-CB 4.32Å; Y477-K479 HydrophobicContact CE1-CB 3.66Å; Y477-K479 HydrophobicContact CE1-CD 4.08Å; Y477-K479 HydrophobicContact CE1-CG 4.49Å; Y477-R497 WeakPolarHBondContact CA-O 3.29Å; Y477-R497 HydrophobicContact CD2-CB 3.71Å; Y477-R497 HydrophobicContact CE2-CB 4.36Å; Y477-I499 HydrophobicContact CE2-CD1 4.43Å; Y477-I499 WeakPolarHBondContact OH-CD1 3.35Å |
| 478 | L | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.5 | -179 | -53.9 | -174.1 | 0 | 0 | 0 | 109.8 | I455 F464 V476 M481 L484 I487 L490 V496 R497 M498 I499 V501 | I455-L478 HydrophobicContact CB-CD2 4.01Å; I455-L478 HydrophobicContact CG1-CD2 4.24Å; I455-L478 CarbonylContact O-C 3.51Å; I455-L478 VanDerWaalsContact O-CA 3.27Å; I455-L478 WeakPolarHBondContact O-CA 3.42Å; F464-L478 HydrophobicContact CE2-CD2 3.88Å; V476-L478 HydrophobicContact CG1-CD2 3.91Å; V476-L478 HydrophobicContact CG1-CG 4.4Å; L478-M481 HydrophobicContact CB-CE 3.64Å; L478-M481 HydrophobicContact CD1-CE 4.47Å; L478-M481 HydrophobicContact CD2-CE 3.84Å; L478-M481 HydrophobicContact CG-CE 4.16Å; L478-L484 HydrophobicContact CD1-CD2 4.16Å; L478-I487 HydrophobicContact CD1-CD1 4.39Å; L478-I487 HydrophobicContact CD1-CG2 4.14Å; L478-L490 HydrophobicContact CD1-CD2 3.86Å; L478-L490 HydrophobicContact CD2-CD2 4.39Å; L478-L490 HydrophobicContact CG-CD2 4.44Å; L478-V496 HydrophobicContact CD1-CG1 3.8Å; L478-V496 HydrophobicContact CG-CG1 3.76Å; L478-R497 PolarHBondContact N-O 3.37Å; L478-M498 HydrophobicContact CB-CG 4.34Å; L478-M498 CarbonylContact O-C 3.6Å; L478-M498 VanDerWaalsContact O-CA 3.31Å; L478-M498 WeakPolarHBondContact O-CA 3.45Å; L478-I499 PolarHBondContact O-N 3.02Å; L478-V501 HydrophobicContact CB-CG2 3.83Å |
| 479 | K | 92.1 | Very high | 84.3 | Confident | 63 Ų | 63 | 31.7 Ų | 31.7 | 27% | 0.274 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 140.9 | -177.5 | 173.1 | 174.8 | 175.1 | -173.1 | 0 | 114.7 | I455 M456 N457 Y477 I499 | I455-K479 PolarHBondContact O-N 3.22Å; M456-K479 CarbonylContact C-O 3.48Å; M456-K479 WeakPolarHBondContact CA-O 3.04Å; M456-K479 HydrophobicContact CB-CB 3.93Å; M456-K479 HydrophobicContact CB-CG 4.49Å; M456-K479 WeakPolarHBondContact CB-O 3.04Å; N457-K479 PolarHBondContact N-O 2.91Å; Y477-K479 HydrophobicContact CD1-CB 4.32Å; Y477-K479 HydrophobicContact CE1-CB 3.66Å; Y477-K479 HydrophobicContact CE1-CD 4.08Å; Y477-K479 HydrophobicContact CE1-CG 4.49Å; K479-I499 CarbonylContact C-O 3.47Å; K479-I499 WeakPolarHBondContact CA-O 3.38Å; K479-I499 HydrophobicContact CB-CB 4.44Å; K479-I499 HydrophobicContact CG-CB 4.21Å; K479-I499 HydrophobicContact CG-CG2 4.49Å |
| 480 | N | 91.5 | Very high | 84.3 | Confident | 47 Ų | 47 | 31.6 Ų | 31.6 | 25% | 0.251 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53 | 56.9 | 174.9 | -60.7 | 10.4 | 0 | 0 | 0 | 111.6 | N457 G458 P482 I499 D500 | N457-N480 CarbonylContact C-O 3.39Å; N457-N480 WeakPolarHBondContact CA-O 3.38Å; N457-N480 PolarHBondContact N-O 3.06Å; N457-N480 WeakPolarHBondContact OD1-CB 3.38Å; N457-N480 PolarHBondContact OD1-ND2 3.08Å; G458-N480 PolarHBondContact N-O 2.84Å; N480-P482 VanDerWaalsContact C-CD 3.5Å; N480-I499 PolarHBondContact N-O 3.06Å; N480-D500 CarbonylContact C-O 3.58Å; N480-D500 VanDerWaalsContact CA-O 3.25Å; N480-D500 WeakPolarHBondContact CA-O 3.38Å; N480-D500 PolarHBondContact N-O 3.36Å |
| 481 | M | 92.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 72.2 | 177.9 | -68.2 | -166.6 | -74.1 | 0 | 0 | 110.3 | I455 L478 K483 L484 D500 Q502 | I455-M481 HydrophobicContact CB-CE 3.95Å; I455-M481 HydrophobicContact CB-SD 4.38Å; I455-M481 HydrophobicContact CG2-CE 3.91Å; I455-M481 HydrophobicContact CG2-SD 3.67Å; I455-M481 WeakPolarHBondContact O-CE 3.34Å; L478-M481 HydrophobicContact CB-CE 3.64Å; L478-M481 HydrophobicContact CD1-CE 4.47Å; L478-M481 HydrophobicContact CD2-CE 3.84Å; L478-M481 HydrophobicContact CG-CE 4.16Å; M481-K483 PolarHBondContact O-N 3.19Å; M481-K483 VanDerWaalsContact O-N 3.11Å; M481-L484 HydrophobicContact CB-CB 3.77Å; M481-L484 HydrophobicContact CB-CD2 4.16Å; M481-L484 HydrophobicContact CE-CD2 3.49Å; M481-L484 VanDerWaalsContact CE-CD2 3.49Å; M481-L484 PolarHBondContact O-N 2.79Å; M481-L484 HydrophobicContact SD-CD2 3.9Å; M481-D500 PolarHBondContact N-O 2.65Å; M481-Q502 PolarHBondContact O-N 3.39Å; M481-Q502 VanDerWaalsContact O-N 3.12Å |
| 482 | P | 91.6 | Very high | 85.2 | Confident | 53 Ų | 53 | 28.8 Ų | 28.8 | 34% | 0.344 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -0.5 | -169.8 | 30.4 | -38.4 | 0 | 0 | 0 | 115.1 | N480 Q502 | N480-P482 VanDerWaalsContact C-CD 3.5Å; P482-Q502 PolarHBondContact O-OE1 3.15Å |
| 483 | K | 92.5 | Very high | 85.2 | Confident | 83 Ų | 83 | 31.6 Ų | 31.6 | 36% | 0.361 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -9 | 172 | -62.7 | -175.6 | -161.9 | 161.2 | 0 | 114 | E459 N460 I461 E462 M481 C485 | E459-K483 WeakPolarHBondContact O-CD 3.21Å; E459-K483 WeakPolarHBondContact O-CE 3.4Å; E459-K483 WeakPolarHBondContact O-CG 3.45Å; E459-K483 PolarHBondContact O-NZ 3.45Å; N460-K483 PolarHBondContact OD1-NZ 2.74Å; I461-K483 CarbonylContact O-C 3.6Å; I461-K483 WeakPolarHBondContact O-CB 3.47Å; E462-K483 HydrophobicContact CG-CB 4.27Å; M481-K483 PolarHBondContact O-N 3.19Å; M481-K483 VanDerWaalsContact O-N 3.11Å; K483-C485 PolarHBondContact O-N 2.79Å; K483-C485 VanDerWaalsContact O-N 3.16Å |
| 484 | L | 93.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | trans | -72.5 | 110.8 | -169.7 | 171.6 | 64.4 | 0 | 0 | 0 | 111.5 | I461 F464 L478 M481 I487 V501 | I461-L484 HydrophobicContact CG2-CD1 3.88Å; I461-L484 WeakPolarHBondContact O-CA 3.39Å; I461-L484 PolarHBondContact O-N 2.97Å; F464-L484 HydrophobicContact CB-CD1 4.4Å; L478-L484 HydrophobicContact CD1-CD2 4.16Å; M481-L484 HydrophobicContact CB-CB 3.77Å; M481-L484 HydrophobicContact CB-CD2 4.16Å; M481-L484 HydrophobicContact CE-CD2 3.49Å; M481-L484 VanDerWaalsContact CE-CD2 3.49Å; M481-L484 PolarHBondContact O-N 2.79Å; M481-L484 HydrophobicContact SD-CD2 3.9Å; L484-I487 HydrophobicContact CD1-CG2 3.91Å; L484-I487 HydrophobicContact CD2-CG2 3.69Å; L484-I487 HydrophobicContact CG-CG2 3.7Å; L484-V501 HydrophobicContact CB-CG1 4.39Å; L484-V501 HydrophobicContact CD2-CG1 4.23Å | ||
| 485 | C | 91.6 | Very high | 85.4 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | trans | -107.1 | -174.7 | 168.2 | -63.4 | 0 | 0 | 0 | 0 | 109.9 | E462 K483 I487 C507 H512 | E462-C485 PolarHBondContact O-N 2.79Å; K483-C485 PolarHBondContact O-N 2.79Å; K483-C485 VanDerWaalsContact O-N 3.16Å; C485-I487 PolarHBondContact O-N 2.88Å; C485-C507 WeakPolarHBondContact CA-SG 3.31Å; C485-C507 HydrophobicContact CB-CB 3.86Å; C485-C507 WeakPolarHBondContact CB-SG 3.29Å; C485-C507 WeakPolarHBondContact SG-CB 3.21Å; C485-C507 CovalentContact SG-SG 2.04Å; C485-C507 PolarHBondContact SG-SG 2.84Å; C485-H512 HydrophobicContact CB-CB 3.72Å; C485-H512 VanDerWaalsContact SG-CB 3.54Å | ||
| 486 | Y | 92.3 | Very high | 85.6 | Confident | 31 Ų | 31 | 35.3 Ų | 35.3 | 12% | 0.122 | 18% | 0.181 | C | C | . | . | trans | 56.8 | 43.1 | 175 | -36.5 | -88.9 | 0 | 0 | 0 | 114.5 | E462 H512 V513 C524 W525 G526 A527 | E462-Y486 VanDerWaalsContact O-CD2 3.29Å; E462-Y486 WeakPolarHBondContact O-CD2 3.24Å; Y486-H512 HydrophobicContact CE1-CB 4.43Å; Y486-H512 HydrophobicContact CE2-CB 4.12Å; Y486-H512 AromaticContact CZ-ND1 3.96Å; Y486-H512 WeakPolarHBondContact OH-CA 3.23Å; Y486-H512 PolarHBondContact OH-ND1 3.18Å; Y486-H512 VanDerWaalsContact OH-ND1 3.13Å; Y486-V513 WeakPolarHBondContact CE1-O 3.49Å; Y486-C524 CarbonylContact C-O 3.46Å; Y486-C524 VanDerWaalsContact O-O 3.09Å; Y486-W525 CarbonylContact O-C 3.51Å; Y486-W525 WeakPolarHBondContact O-CA 3.41Å; Y486-G526 VanDerWaalsContact CB-CA 3.48Å; Y486-G526 WeakPolarHBondContact CD1-O 3.46Å; Y486-A527 HydrophobicContact CD1-CB 4.43Å; Y486-A527 VanDerWaalsContact CE1-CA 3.45Å; Y486-A527 HydrophobicContact CE1-CB 3.63Å; Y486-A527 HydrophobicContact CE2-CB 4.45Å | ||
| 487 | I | 89.3 | Confident | 85.6 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | trans | -98.8 | 8 | 169.5 | 58.4 | 173.6 | 0 | 0 | 0 | 112.5 | F464 L478 L484 C485 A489 L490 T491 M498 V501 | F464-I487 HydrophobicContact CB-CG2 4.26Å; F464-I487 HydrophobicContact CD2-CG2 4.5Å; L478-I487 HydrophobicContact CD1-CD1 4.39Å; L478-I487 HydrophobicContact CD1-CG2 4.14Å; L484-I487 HydrophobicContact CD1-CG2 3.91Å; L484-I487 HydrophobicContact CD2-CG2 3.69Å; L484-I487 HydrophobicContact CG-CG2 3.7Å; C485-I487 PolarHBondContact O-N 2.88Å; I487-A489 PolarHBondContact O-N 2.94Å; I487-L490 WeakPolarHBondContact O-CB 3.4Å; I487-L490 PolarHBondContact O-N 3.35Å; I487-L490 VanDerWaalsContact O-N 3.1Å; I487-T491 HydrophobicContact CB-CG2 4.47Å; I487-T491 HydrophobicContact CD1-CG2 4.03Å; I487-T491 HydrophobicContact CG1-CG2 4.15Å; I487-T491 PolarHBondContact O-N 3.33Å; I487-T491 PolarHBondContact O-OG1 3.49Å; I487-M498 HydrophobicContact CD1-SD 3.46Å; I487-M498 WeakPolarHBondContact CD1-SD 3.2Å; I487-V501 HydrophobicContact CD1-CG1 4.23Å | ||
| 488 | S | 87.2 | Confident | 85.4 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -8.8 | -167.3 | 73.8 | 0 | 0 | 0 | 0 | 114.6 | K492 E504 C514 G523 C524 | S488-K492 WeakPolarHBondContact O-CD 3.17Å; S488-K492 WeakPolarHBondContact O-CE 3.29Å; S488-K492 VanDerWaalsContact O-CG 3.31Å; S488-K492 WeakPolarHBondContact O-CG 3.49Å; S488-K492 PolarHBondContact O-NZ 2.81Å; S488-E504 WeakPolarHBondContact CB-OE1 3.5Å; S488-C514 PolarHBondContact OG-SG 3.18Å; S488-G523 WeakPolarHBondContact OG-CA 3.29Å; S488-C524 PolarHBondContact N-O 2.76Å; S488-C524 PolarHBondContact OG-N 3.06Å; S488-C524 VanDerWaalsContact OG-N 3.08Å |
| 489 | A | 85.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -53.4 | 164 | 0 | 0 | 0 | 0 | 0 | 111.3 | I487 T491 K492 M493 L522 C524 W525 A533 | I487-A489 PolarHBondContact O-N 2.94Å; A489-T491 VanDerWaalsContact C-N 3.31Å; A489-T491 PolarHBondContact O-N 3.06Å; A489-K492 PolarHBondContact O-N 3.19Å; A489-M493 WeakPolarHBondContact O-CG 3.34Å; A489-M493 PolarHBondContact O-N 3.09Å; A489-L522 VanDerWaalsContact CA-O 3.28Å; A489-L522 WeakPolarHBondContact CA-O 3.38Å; A489-C524 PolarHBondContact N-O 2.97Å; A489-W525 HydrophobicContact CB-CD2 3.71Å; A489-W525 HydrophobicContact CB-CE3 4.06Å; A489-W525 HydrophobicContact CB-CG 4.25Å; A489-W525 HydrophobicContact CB-CH2 4.16Å; A489-W525 HydrophobicContact CB-CZ2 3.79Å; A489-W525 HydrophobicContact CB-CZ3 4.28Å; A489-A533 HydrophobicContact CB-CB 3.71Å |
| 490 | L | 85.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -53.3 | -45.2 | -179.8 | -169.7 | 75.8 | 0 | 0 | 0 | 112.7 | F464 L469 V476 L478 I487 K492 L494 V496 W525 | F464-L490 HydrophobicContact CD2-CD2 4.17Å; F464-L490 HydrophobicContact CE1-CD1 3.91Å; F464-L490 HydrophobicContact CE1-CD2 4.31Å; F464-L490 HydrophobicContact CE2-CD2 3.75Å; F464-L490 HydrophobicContact CZ-CD1 3.89Å; F464-L490 HydrophobicContact CZ-CD2 3.82Å; F464-L490 HydrophobicContact CZ-CG 4.47Å; L469-L490 HydrophobicContact CD2-CD1 4.46Å; V476-L490 HydrophobicContact CB-CD1 4.48Å; V476-L490 HydrophobicContact CG1-CD1 4.31Å; V476-L490 HydrophobicContact CG1-CD2 3.91Å; V476-L490 HydrophobicContact CG1-CG 4.49Å; V476-L490 HydrophobicContact CG2-CD1 4.18Å; L478-L490 HydrophobicContact CD1-CD2 3.86Å; L478-L490 HydrophobicContact CD2-CD2 4.39Å; L478-L490 HydrophobicContact CG-CD2 4.44Å; I487-L490 WeakPolarHBondContact O-CB 3.4Å; I487-L490 PolarHBondContact O-N 3.35Å; I487-L490 VanDerWaalsContact O-N 3.1Å; L490-K492 PolarHBondContact O-N 3.03Å; L490-L494 PolarHBondContact O-N 3.18Å; L490-V496 HydrophobicContact CB-CG2 4.42Å; L490-V496 HydrophobicContact CD2-CG1 4.24Å; L490-V496 HydrophobicContact CD2-CG2 3.9Å; L490-V496 HydrophobicContact CG-CG2 3.68Å; L490-V496 WeakPolarHBondContact O-CG2 3.18Å; L490-W525 HydrophobicContact CB-CH2 4.32Å; L490-W525 HydrophobicContact CB-CZ3 3.72Å; L490-W525 HydrophobicContact CD1-CH2 4.22Å; L490-W525 HydrophobicContact CD1-CZ3 3.87Å; L490-W525 HydrophobicContact CG-CZ3 4.38Å |
| 491 | T | 84.9 | Confident | 84.7 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.3 | -9.5 | -178.5 | 55.3 | 0 | 0 | 0 | 0 | 114.6 | I487 A489 V496 M498 | I487-T491 HydrophobicContact CB-CG2 4.47Å; I487-T491 HydrophobicContact CD1-CG2 4.03Å; I487-T491 HydrophobicContact CG1-CG2 4.15Å; I487-T491 PolarHBondContact O-N 3.33Å; I487-T491 PolarHBondContact O-OG1 3.49Å; A489-T491 VanDerWaalsContact C-N 3.31Å; A489-T491 PolarHBondContact O-N 3.06Å; T491-V496 HydrophobicContact CG2-CB 4.22Å; T491-V496 HydrophobicContact CG2-CG2 4.04Å; T491-M498 HydrophobicContact CG2-CE 4.14Å; T491-M498 HydrophobicContact CG2-SD 4.26Å |
| 492 | K | 78 | Confident | 84.5 | Confident | 101 Ų | 101 | 49.3 Ų | 49.3 | 44% | 0.439 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -107.7 | -31.1 | 177.4 | -60.6 | -179 | -159.4 | 142.2 | 0 | 112.6 | S488 A489 L490 P520 E521 | S488-K492 WeakPolarHBondContact O-CD 3.17Å; S488-K492 WeakPolarHBondContact O-CE 3.29Å; S488-K492 VanDerWaalsContact O-CG 3.31Å; S488-K492 WeakPolarHBondContact O-CG 3.49Å; S488-K492 PolarHBondContact O-NZ 2.81Å; A489-K492 PolarHBondContact O-N 3.19Å; L490-K492 PolarHBondContact O-N 3.03Å; K492-P520 PolarHBondContact NZ-O 3.2Å; K492-E521 WeakPolarHBondContact CD-O 3.19Å |
| 493 | M | 69 | Low | 84.2 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.2 | -34.9 | 173.2 | -68.7 | 178.1 | 177.5 | 0 | 0 | 112.6 | A489 W525 A533 | A489-M493 WeakPolarHBondContact O-CG 3.34Å; A489-M493 PolarHBondContact O-N 3.09Å; M493-W525 HydrophobicContact CE-CZ2 3.86Å; M493-W525 HydrophobicContact SD-CH2 3.92Å; M493-W525 HydrophobicContact SD-CZ2 3.63Å; M493-A533 HydrophobicContact CE-CB 3.98Å |
| 494 | L | 69.1 | Low | 83.7 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -146.7 | 157.3 | -167.6 | -70.5 | 169.6 | 0 | 0 | 0 | 113.2 | I472 V476 L490 V496 | I472-L494 HydrophobicContact CB-CD1 3.67Å; I472-L494 HydrophobicContact CD1-CD1 3.31Å; I472-L494 HydrophobicContact CG1-CD1 3.62Å; I472-L494 HydrophobicContact CG2-CD1 4.35Å; V476-L494 HydrophobicContact CG2-CD1 4.31Å; L490-L494 PolarHBondContact O-N 3.18Å; L494-V496 PolarHBondContact O-N 3.18Å; L494-V496 VanDerWaalsContact O-N 3.09Å |
| 495 | P | 67.9 | Low | 83.3 | Confident | 93 Ų | 93 | 58 Ų | 58 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | trans | -65.3 | 108.8 | 167.8 | 26.8 | -33.5 | 0 | 0 | 0 | 110.7 | Y475 V476 | Y475-P495 WeakPolarHBondContact CB-O 3.32Å; V476-P495 PolarHBondContact N-O 2.97Å | ||
| 496 | V | 79.7 | Confident | 83.1 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 127.8 | 174.6 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | V476 L478 L490 T491 L494 M498 | V476-V496 HydrophobicContact CB-CG2 4.49Å; V476-V496 CarbonylContact O-C 3.59Å; V476-V496 WeakPolarHBondContact O-CA 3.41Å; L478-V496 HydrophobicContact CD1-CG1 3.8Å; L478-V496 HydrophobicContact CG-CG1 3.76Å; L490-V496 HydrophobicContact CB-CG2 4.42Å; L490-V496 HydrophobicContact CD2-CG1 4.24Å; L490-V496 HydrophobicContact CD2-CG2 3.9Å; L490-V496 HydrophobicContact CG-CG2 3.68Å; L490-V496 WeakPolarHBondContact O-CG2 3.18Å; T491-V496 HydrophobicContact CG2-CB 4.22Å; T491-V496 HydrophobicContact CG2-CG2 4.04Å; L494-V496 PolarHBondContact O-N 3.18Å; L494-V496 VanDerWaalsContact O-N 3.09Å; V496-M498 HydrophobicContact CG1-CG 3.75Å; V496-M498 HydrophobicContact CG1-SD 4.41Å |
| 497 | R | 84 | Confident | 83 | Confident | 121 Ų | 121 | 59.9 Ų | 59.9 | 46% | 0.457 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.5 | 169.9 | -65.7 | -171.3 | -177.5 | -168.2 | -4.1 | 109.2 | Y475 V476 Y477 L478 | Y475-R497 HydrophobicContact CD2-CG 4.14Å; Y475-R497 HydrophobicContact CE2-CG 4.03Å; Y475-R497 PolarHBondContact OH-NH1 2.93Å; V476-R497 PolarHBondContact O-N 2.6Å; Y477-R497 WeakPolarHBondContact CA-O 3.29Å; Y477-R497 HydrophobicContact CD2-CB 3.71Å; Y477-R497 HydrophobicContact CE2-CB 4.36Å; L478-R497 PolarHBondContact N-O 3.37Å |
| 498 | M | 86.1 | Confident | 82.9 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 47% | 0.468 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.9 | -176.4 | -61.7 | -175.8 | -77.6 | 0 | 0 | 111.7 | L478 I487 T491 V496 V501 | L478-M498 HydrophobicContact CB-CG 4.34Å; L478-M498 CarbonylContact O-C 3.6Å; L478-M498 VanDerWaalsContact O-CA 3.31Å; L478-M498 WeakPolarHBondContact O-CA 3.45Å; I487-M498 HydrophobicContact CD1-SD 3.46Å; I487-M498 WeakPolarHBondContact CD1-SD 3.2Å; T491-M498 HydrophobicContact CG2-CE 4.14Å; T491-M498 HydrophobicContact CG2-SD 4.26Å; V496-M498 HydrophobicContact CG1-CG 3.75Å; V496-M498 HydrophobicContact CG1-SD 4.41Å; M498-V501 HydrophobicContact CB-CB 4.38Å; M498-V501 HydrophobicContact CB-CG2 4.11Å; M498-V501 HydrophobicContact CG-CG2 4.44Å |
| 499 | I | 86.7 | Confident | 82.9 | Confident | 85 Ų | 85 | 68 Ų | 68 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 123.3 | 172.6 | -58 | -176.4 | 0 | 0 | 0 | 108.5 | Y477 L478 K479 N480 V501 | Y477-I499 HydrophobicContact CE2-CD1 4.43Å; Y477-I499 WeakPolarHBondContact OH-CD1 3.35Å; L478-I499 PolarHBondContact O-N 3.02Å; K479-I499 CarbonylContact C-O 3.47Å; K479-I499 WeakPolarHBondContact CA-O 3.38Å; K479-I499 HydrophobicContact CB-CB 4.44Å; K479-I499 HydrophobicContact CG-CB 4.21Å; K479-I499 HydrophobicContact CG-CG2 4.49Å; N480-I499 PolarHBondContact N-O 3.06Å; I499-V501 PolarHBondContact O-N 2.81Å |
| 500 | D | 85.4 | Confident | 83 | Confident | 107 Ų | 107 | 74 Ų | 74 | 57% | 0.572 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 43.4 | -180 | -165 | 45.2 | 0 | 0 | 0 | 112.9 | N480 M481 | N480-D500 CarbonylContact C-O 3.58Å; N480-D500 VanDerWaalsContact CA-O 3.25Å; N480-D500 WeakPolarHBondContact CA-O 3.38Å; N480-D500 PolarHBondContact N-O 3.36Å; M481-D500 PolarHBondContact N-O 2.65Å |
| 501 | V | 88 | Confident | 83 | Confident | 26 Ų | 26 | 76.4 Ų | 76.4 | 16% | 0.158 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 147.6 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | L478 L484 I487 M498 I499 D503 | L478-V501 HydrophobicContact CB-CG2 3.83Å; L484-V501 HydrophobicContact CB-CG1 4.39Å; L484-V501 HydrophobicContact CD2-CG1 4.23Å; I487-V501 HydrophobicContact CD1-CG1 4.23Å; M498-V501 HydrophobicContact CB-CB 4.38Å; M498-V501 HydrophobicContact CB-CG2 4.11Å; M498-V501 HydrophobicContact CG-CG2 4.44Å; I499-V501 PolarHBondContact O-N 2.81Å; V501-D503 PolarHBondContact O-N 2.83Å; V501-D503 VanDerWaalsContact O-N 3.16Å |
| 502 | Q | 87.6 | Confident | 83.2 | Confident | 25 Ų | 25 | 77.4 Ų | 77.4 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60 | 119.8 | 180 | -176.1 | 50.8 | 93 | 0 | 0 | 111.1 | M481 P482 C507 | M481-Q502 PolarHBondContact O-N 3.39Å; M481-Q502 VanDerWaalsContact O-N 3.12Å; P482-Q502 PolarHBondContact O-OE1 3.15Å; Q502-C507 VanDerWaalsContact CG-SG 3.59Å |
| 503 | D | 85.1 | Confident | 83.7 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 136 | 174.7 | 173.6 | 84.5 | 0 | 0 | 0 | 112.5 | V501 E505 L506 C507 | V501-D503 PolarHBondContact O-N 2.83Å; V501-D503 VanDerWaalsContact O-N 3.16Å; D503-E505 WeakPolarHBondContact OD2-CA 3.45Å; D503-E505 VanDerWaalsContact OD2-CB 3.24Å; D503-E505 WeakPolarHBondContact OD2-CB 3.49Å; D503-E505 PolarHBondContact OD2-N 3.23Å; D503-L506 HydrophobicContact CB-CB 4.33Å; D503-L506 CarbonylContact O-C 3.37Å; D503-L506 PolarHBondContact O-N 3.38Å; D503-L506 PolarHBondContact OD2-N 3.25Å; D503-C507 PolarHBondContact O-N 3.01Å |
| 504 | E | 81.8 | Confident | 84.6 | Confident | 107 Ų | 107 | 74.5 Ų | 74.5 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -70.6 | -31.3 | -172.7 | -169.1 | 171.5 | -157.4 | 0 | 0 | 112.8 | S488 L506 C507 A508 | S488-E504 WeakPolarHBondContact CB-OE1 3.5Å; E504-L506 VanDerWaalsContact C-N 3.31Å; E504-L506 PolarHBondContact O-N 2.92Å; E504-C507 WeakPolarHBondContact O-CB 3.11Å; E504-C507 PolarHBondContact O-N 3.41Å; E504-A508 WeakPolarHBondContact O-CB 3.37Å; E504-A508 PolarHBondContact O-N 3.15Å |
| 505 | E | 84.3 | Confident | 85.7 | Confident | 122 Ų | 122 | 76 Ų | 76 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -68 | -35.1 | 173.5 | -152.4 | -153.6 | 158.3 | 0 | 0 | 110.5 | D503 A508 K509 | D503-E505 WeakPolarHBondContact OD2-CA 3.45Å; D503-E505 VanDerWaalsContact OD2-CB 3.24Å; D503-E505 WeakPolarHBondContact OD2-CB 3.49Å; D503-E505 PolarHBondContact OD2-N 3.23Å; E505-A508 PolarHBondContact O-N 2.77Å; E505-K509 WeakPolarHBondContact O-CB 3.49Å; E505-K509 WeakPolarHBondContact O-CD 3.21Å; E505-K509 WeakPolarHBondContact O-CG 3.22Å; E505-K509 PolarHBondContact O-N 3.49Å; E505-K509 WeakPolarHBondContact OE1-CE 3.06Å; E505-K509 IonicContact OE1-NZ 2.75Å; E505-K509 PolarHBondContact OE1-NZ 3.2Å; E505-K509 IonicContact OE2-NZ 3.15Å; E505-K509 PolarHBondContact OE2-NZ 3.37Å |
| 506 | L | 88 | Confident | 86.6 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -78.5 | -28.4 | 174.7 | -176.2 | 52.5 | 0 | 0 | 0 | 113.1 | D503 E504 K509 R510 | D503-L506 HydrophobicContact CB-CB 4.33Å; D503-L506 CarbonylContact O-C 3.37Å; D503-L506 PolarHBondContact O-N 3.38Å; D503-L506 PolarHBondContact OD2-N 3.25Å; E504-L506 VanDerWaalsContact C-N 3.31Å; E504-L506 PolarHBondContact O-N 2.92Å; L506-K509 HydrophobicContact CD1-CB 4.42Å; L506-R510 WeakPolarHBondContact O-CG 3.41Å; L506-R510 PolarHBondContact O-N 2.87Å |
| 507 | C | 90.2 | Very high | 87 | Confident | 4 Ų | 4 | 76.2 Ų | 76.2 | 3% | 0.027 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.9 | -51.6 | 162.8 | -75.9 | 0 | 0 | 0 | 0 | 110.7 | C485 Q502 D503 E504 K509 R510 G511 H512 | C485-C507 WeakPolarHBondContact CA-SG 3.31Å; C485-C507 HydrophobicContact CB-CB 3.86Å; C485-C507 WeakPolarHBondContact CB-SG 3.29Å; C485-C507 WeakPolarHBondContact SG-CB 3.21Å; C485-C507 CovalentContact SG-SG 2.04Å; C485-C507 PolarHBondContact SG-SG 2.84Å; Q502-C507 VanDerWaalsContact CG-SG 3.59Å; D503-C507 PolarHBondContact O-N 3.01Å; E504-C507 WeakPolarHBondContact O-CB 3.11Å; E504-C507 PolarHBondContact O-N 3.41Å; C507-K509 PolarHBondContact O-N 2.82Å; C507-R510 PolarHBondContact O-N 3.1Å; C507-G511 PolarHBondContact O-N 2.78Å; C507-H512 HydrophobicContact CB-CB 4.06Å; C507-H512 PolarHBondContact O-N 2.72Å |
| 508 | A | 86.4 | Confident | 87.1 | Confident | 50 Ų | 50 | 70.7 Ų | 70.7 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E504 E505 R510 G511 V513 | E504-A508 WeakPolarHBondContact O-CB 3.37Å; E504-A508 PolarHBondContact O-N 3.15Å; E505-A508 PolarHBondContact O-N 2.77Å; A508-R510 PolarHBondContact O-N 2.99Å; A508-G511 PolarHBondContact O-N 2.82Å; A508-V513 HydrophobicContact CB-CG1 3.97Å |
| 509 | K | 87.4 | Confident | 86.8 | Confident | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.9 | -20.1 | 174.6 | -73.5 | 162.3 | -172.8 | 165.1 | 0 | 114.2 | E505 L506 C507 | E505-K509 WeakPolarHBondContact O-CB 3.49Å; E505-K509 WeakPolarHBondContact O-CD 3.21Å; E505-K509 WeakPolarHBondContact O-CG 3.22Å; E505-K509 PolarHBondContact O-N 3.49Å; E505-K509 WeakPolarHBondContact OE1-CE 3.06Å; E505-K509 IonicContact OE1-NZ 2.75Å; E505-K509 PolarHBondContact OE1-NZ 3.2Å; E505-K509 IonicContact OE2-NZ 3.15Å; E505-K509 PolarHBondContact OE2-NZ 3.37Å; L506-K509 HydrophobicContact CD1-CB 4.42Å; C507-K509 PolarHBondContact O-N 2.82Å |
| 510 | R | 86.9 | Confident | 86.3 | Confident | 127 Ų | 127 | 68.1 Ų | 68.1 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1 | 172.9 | -69.8 | 178.7 | -170.9 | 154.3 | 10.6 | 113.4 | L506 C507 A508 | L506-R510 WeakPolarHBondContact O-CG 3.41Å; L506-R510 PolarHBondContact O-N 2.87Å; C507-R510 PolarHBondContact O-N 3.1Å; A508-R510 PolarHBondContact O-N 2.99Å |
| 511 | G | 86.8 | Confident | 85.6 | Confident | 51 Ų | 51 | 66.9 Ų | 66.9 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 7.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C507 A508 V513 | C507-G511 PolarHBondContact O-N 2.78Å; A508-G511 PolarHBondContact O-N 2.82Å; G511-V513 VanDerWaalsContact C-N 3.28Å; G511-V513 PolarHBondContact O-N 3Å |
| 512 | H | 88 | Confident | 85.1 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | trans | -81.7 | 74.2 | 175.5 | -61.5 | -63.1 | 0 | 0 | 0 | 110.8 | C485 Y486 C507 | C485-H512 HydrophobicContact CB-CB 3.72Å; C485-H512 VanDerWaalsContact SG-CB 3.54Å; Y486-H512 HydrophobicContact CE1-CB 4.43Å; Y486-H512 HydrophobicContact CE2-CB 4.12Å; Y486-H512 AromaticContact CZ-ND1 3.96Å; Y486-H512 WeakPolarHBondContact OH-CA 3.23Å; Y486-H512 PolarHBondContact OH-ND1 3.18Å; Y486-H512 VanDerWaalsContact OH-ND1 3.13Å; C507-H512 HydrophobicContact CB-CB 4.06Å; C507-H512 PolarHBondContact O-N 2.72Å | ||
| 513 | V | 88.4 | Confident | 84.9 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -119.8 | 155.2 | 179.5 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | Y486 A508 G511 | Y486-V513 WeakPolarHBondContact CE1-O 3.49Å; A508-V513 HydrophobicContact CB-CG1 3.97Å; G511-V513 VanDerWaalsContact C-N 3.28Å; G511-V513 PolarHBondContact O-N 3Å | ||
| 514 | C | 89.6 | Confident | 85.2 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | trans | -57.5 | 153.8 | 174.9 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | S488 C518 C524 | S488-C514 PolarHBondContact OG-SG 3.18Å; C514-C518 HydrophobicContact CB-CB 4.08Å; C514-C524 WeakPolarHBondContact CA-SG 3.37Å; C514-C524 HydrophobicContact CB-CB 3.66Å; C514-C524 WeakPolarHBondContact CB-SG 3.21Å; C514-C524 WeakPolarHBondContact SG-CB 3.1Å; C514-C524 CovalentContact SG-SG 2.03Å; C514-C524 PolarHBondContact SG-SG 2.77Å | ||
| 515 | H | 90.8 | Very high | 85.7 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | trans | -55.4 | 149.5 | 172.5 | -160.4 | -103 | 0 | 0 | 0 | 112 | E517 C518 A527 A529 | H515-E517 PolarHBondContact ND1-N 2.74Å; H515-E517 PolarHBondContact O-N 2.77Å; H515-E517 VanDerWaalsContact O-N 3.17Å; H515-C518 WeakPolarHBondContact O-CB 3.17Å; H515-C518 PolarHBondContact O-N 3.22Å; H515-C518 PolarHBondContact O-SG 2.96Å; H515-A527 PolarHBondContact N-O 2.91Å; H515-A529 HydrophobicContact CB-CB 4.39Å; H515-A529 WeakPolarHBondContact ND1-CB 3.26Å | ||
| 516 | S | 87.8 | Confident | 86 | Confident | 81 Ų | 81 | 51.6 Ų | 51.6 | 57% | 0.566 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.2 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | C518 | S516-C518 VanDerWaalsContact C-N 3.31Å; S516-C518 PolarHBondContact O-N 3.06Å |
| 517 | E | 88.3 | Confident | 86.2 | Confident | 45 Ų | 45 | 50 Ų | 50 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.1 | -179.3 | -46.6 | -46.2 | 110 | 0 | 0 | 113.5 | H515 C536 C544 S546 | H515-E517 PolarHBondContact ND1-N 2.74Å; H515-E517 PolarHBondContact O-N 2.77Å; H515-E517 VanDerWaalsContact O-N 3.17Å; E517-C536 WeakPolarHBondContact O-CB 2.78Å; E517-C536 PolarHBondContact O-N 2.82Å; E517-C544 HydrophobicContact CB-CB 3.76Å; E517-S546 WeakPolarHBondContact OE2-CA 3.14Å; E517-S546 WeakPolarHBondContact OE2-CB 3.47Å; E517-S546 PolarHBondContact OE2-N 3.02Å |
| 518 | C | 85.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 138.1 | 172.1 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | C514 H515 S516 P520 C532 | C514-C518 HydrophobicContact CB-CB 4.08Å; H515-C518 WeakPolarHBondContact O-CB 3.17Å; H515-C518 PolarHBondContact O-N 3.22Å; H515-C518 PolarHBondContact O-SG 2.96Å; S516-C518 VanDerWaalsContact C-N 3.31Å; S516-C518 PolarHBondContact O-N 3.06Å; C518-P520 VanDerWaalsContact O-CD 3.26Å; C518-P520 WeakPolarHBondContact O-CD 3.23Å; C518-C532 WeakPolarHBondContact CA-SG 3.14Å; C518-C532 HydrophobicContact CB-CB 3.57Å; C518-C532 WeakPolarHBondContact CB-SG 3.42Å; C518-C532 PolarHBondContact N-SG 2.83Å; C518-C532 WeakPolarHBondContact SG-CA 3.19Å; C518-C532 WeakPolarHBondContact SG-CB 3.46Å; C518-C532 CovalentContact SG-SG 2.03Å; C518-C532 PolarHBondContact SG-SG 3.3Å |
| 519 | L | 80.7 | Confident | 86.3 | Confident | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.209 | 29% | 0.294 | C | S | . | . | trans | -67.6 | 118.3 | 173.6 | -171.8 | 69.8 | 0 | 0 | 0 | 110.2 | E521 L522 G523 H534 | L519-E521 PolarHBondContact O-N 2.9Å; L519-E521 VanDerWaalsContact O-N 3.17Å; L519-L522 HydrophobicContact CD2-CB 4.5Å; L519-L522 HydrophobicContact CD2-CD1 3.97Å; L519-L522 HydrophobicContact CD2-CG 4.11Å; L519-L522 PolarHBondContact O-N 2.88Å; L519-L522 VanDerWaalsContact O-N 3.1Å; L519-G523 PolarHBondContact O-N 2.64Å; L519-H534 HydrophobicContact CB-CB 4.28Å; L519-H534 PolarHBondContact N-O 2.81Å | ||
| 520 | P | 75.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -31.7 | -173 | -26.5 | 36.3 | 0 | 0 | 0 | 114.1 | K492 C518 | K492-P520 PolarHBondContact NZ-O 3.2Å; C518-P520 VanDerWaalsContact O-CD 3.26Å; C518-P520 WeakPolarHBondContact O-CD 3.23Å |
| 521 | E | 70.3 | Confident | 86.6 | Confident | 81 Ų | 81 | 42.5 Ų | 42.5 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -28.7 | 179.5 | -71.1 | 165.1 | -144.4 | 0 | 0 | 113 | K492 L519 | K492-E521 WeakPolarHBondContact CD-O 3.19Å; L519-E521 PolarHBondContact O-N 2.9Å; L519-E521 VanDerWaalsContact O-N 3.17Å |
| 522 | L | 77.1 | Confident | 86.7 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -16.4 | 176 | -66.9 | 176.5 | 0 | 0 | 0 | 113.5 | A489 L519 A533 H534 V597 | A489-L522 VanDerWaalsContact CA-O 3.28Å; A489-L522 WeakPolarHBondContact CA-O 3.38Å; L519-L522 HydrophobicContact CD2-CB 4.5Å; L519-L522 HydrophobicContact CD2-CD1 3.97Å; L519-L522 HydrophobicContact CD2-CG 4.11Å; L519-L522 PolarHBondContact O-N 2.88Å; L519-L522 VanDerWaalsContact O-N 3.1Å; L522-A533 HydrophobicContact CB-CB 4.25Å; L522-A533 WeakPolarHBondContact O-CB 3.3Å; L522-H534 HydrophobicContact CB-CB 4.19Å; L522-H534 HydrophobicContact CD1-CB 3.55Å; L522-H534 HydrophobicContact CG-CB 4.49Å; L522-V597 HydrophobicContact CD1-CG1 3.7Å; L522-V597 HydrophobicContact CD1-CG2 4.22Å |
| 523 | G | 84.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | 73.3 | -155.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S488 L519 A533 | S488-G523 WeakPolarHBondContact OG-CA 3.29Å; L519-G523 PolarHBondContact O-N 2.64Å; G523-A533 PolarHBondContact O-N 3.21Å | ||
| 524 | C | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -149.2 | 165.9 | -174.6 | 65 | 0 | 0 | 0 | 0 | 112.8 | Y486 S488 A489 C514 G526 M531 | Y486-C524 CarbonylContact C-O 3.46Å; Y486-C524 VanDerWaalsContact O-O 3.09Å; S488-C524 PolarHBondContact N-O 2.76Å; S488-C524 PolarHBondContact OG-N 3.06Å; S488-C524 VanDerWaalsContact OG-N 3.08Å; A489-C524 PolarHBondContact N-O 2.97Å; C514-C524 WeakPolarHBondContact CA-SG 3.37Å; C514-C524 HydrophobicContact CB-CB 3.66Å; C514-C524 WeakPolarHBondContact CB-SG 3.21Å; C514-C524 WeakPolarHBondContact SG-CB 3.1Å; C514-C524 CovalentContact SG-SG 2.03Å; C514-C524 PolarHBondContact SG-SG 2.77Å; C524-G526 PolarHBondContact SG-O 2.87Å; C524-G526 VanDerWaalsContact SG-O 3.35Å; C524-M531 CarbonylContact C-O 3.16Å; C524-M531 WeakPolarHBondContact CA-O 3.23Å; C524-M531 WeakPolarHBondContact CB-O 3.42Å |
| 525 | W | 90.9 | Very high | 86 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -107.5 | -8.7 | 178.4 | -54.3 | 103.7 | 0 | 0 | 0 | 113 | F464 G465 K467 L469 Y486 A489 L490 M493 M531 | F464-W525 AromaticContact CD1-CE3 3.59Å; F464-W525 HydrophobicContact CD1-CE3 3.59Å; F464-W525 AromaticContact CD1-CZ3 3.66Å; F464-W525 HydrophobicContact CD1-CZ3 3.66Å; F464-W525 HydrophobicContact CE1-CE3 4.22Å; F464-W525 AromaticContact CE1-CZ3 3.81Å; F464-W525 HydrophobicContact CE1-CZ3 3.81Å; F464-W525 HydrophobicContact CG-CE3 4.46Å; F464-W525 PolarHBondContact N-O 3.04Å; G465-W525 PolarHBondContact N-O 2.83Å; K467-W525 PolarHBondContact O-NE1 2.89Å; L469-W525 HydrophobicContact CB-CH2 4.17Å; L469-W525 HydrophobicContact CB-CZ2 4.24Å; L469-W525 HydrophobicContact CD2-CH2 3.96Å; L469-W525 HydrophobicContact CD2-CZ3 4.34Å; Y486-W525 CarbonylContact O-C 3.51Å; Y486-W525 WeakPolarHBondContact O-CA 3.41Å; A489-W525 HydrophobicContact CB-CD2 3.71Å; A489-W525 HydrophobicContact CB-CE3 4.06Å; A489-W525 HydrophobicContact CB-CG 4.25Å; A489-W525 HydrophobicContact CB-CH2 4.16Å; A489-W525 HydrophobicContact CB-CZ2 3.79Å; A489-W525 HydrophobicContact CB-CZ3 4.28Å; L490-W525 HydrophobicContact CB-CH2 4.32Å; L490-W525 HydrophobicContact CB-CZ3 3.72Å; L490-W525 HydrophobicContact CD1-CH2 4.22Å; L490-W525 HydrophobicContact CD1-CZ3 3.87Å; L490-W525 HydrophobicContact CG-CZ3 4.38Å; M493-W525 HydrophobicContact CE-CZ2 3.86Å; M493-W525 HydrophobicContact SD-CH2 3.92Å; M493-W525 HydrophobicContact SD-CZ2 3.63Å; W525-M531 HydrophobicContact CB-SD 4.39Å; W525-M531 PolarHBondContact N-O 2.03Å |
| 526 | G | 91.9 | Very high | 85.3 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -171.1 | -178.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y486 C524 | Y486-G526 VanDerWaalsContact CB-CA 3.48Å; Y486-G526 WeakPolarHBondContact CD1-O 3.46Å; C524-G526 PolarHBondContact SG-O 2.87Å; C524-G526 VanDerWaalsContact SG-O 3.35Å |
| 527 | A | 90.8 | Very high | 84.8 | Confident | 37 Ų | 37 | 32 Ų | 32 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77.2 | -33.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y486 H515 | Y486-A527 HydrophobicContact CD1-CB 4.43Å; Y486-A527 VanDerWaalsContact CE1-CA 3.45Å; Y486-A527 HydrophobicContact CE1-CB 3.63Å; Y486-A527 HydrophobicContact CE2-CB 4.45Å; H515-A527 PolarHBondContact N-O 2.91Å |
| 528 | D | 90.1 | Very high | 84.5 | Confident | 102 Ų | 102 | 30.7 Ų | 30.7 | 55% | 0.545 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -78.7 | 158.7 | -167.8 | -59.2 | -71.6 | 0 | 0 | 0 | 113.5 | N530 M531 | D528-N530 WeakPolarHBondContact CB-OD1 3.35Å; D528-N530 PolarHBondContact O-N 2.84Å; D528-N530 VanDerWaalsContact O-N 3.12Å; D528-M531 HydrophobicContact CB-CG 4.45Å; D528-M531 WeakPolarHBondContact O-CB 3Å; D528-M531 PolarHBondContact O-N 2.77Å |
| 529 | A | 89.8 | Confident | 84.4 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 11% | 0.107 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H515 Y543 C544 | H515-A529 HydrophobicContact CB-CB 4.39Å; H515-A529 WeakPolarHBondContact ND1-CB 3.26Å; A529-Y543 HydrophobicContact CB-CD1 4.29Å; A529-C544 WeakPolarHBondContact CB-O 3.16Å; A529-C544 WeakPolarHBondContact O-CB 3.25Å; A529-C544 PolarHBondContact O-N 3.12Å; A529-C544 PolarHBondContact O-SG 3.41Å; A529-C544 VanDerWaalsContact O-SG 3.41Å |
| 530 | N | 89.7 | Confident | 84.7 | Confident | 29 Ų | 29 | 31.8 Ų | 31.8 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 2.8 | 171.5 | 64 | -23.8 | 0 | 0 | 0 | 113.8 | D528 E542 Y543 | D528-N530 WeakPolarHBondContact CB-OD1 3.35Å; D528-N530 PolarHBondContact O-N 2.84Å; D528-N530 VanDerWaalsContact O-N 3.12Å; N530-E542 VanDerWaalsContact CA-O 3.29Å; N530-E542 WeakPolarHBondContact CA-O 3.42Å; N530-E542 HydrophobicContact CB-CB 4.22Å; N530-E542 WeakPolarHBondContact CB-O 3.46Å; N530-Y543 HydrophobicContact CB-CD1 3.64Å; N530-Y543 HydrophobicContact CB-CE1 3.75Å; N530-Y543 HydrophobicContact CB-CG 4.04Å |
| 531 | M | 91.5 | Very high | 85 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -107.5 | 7.8 | 178.7 | -68.9 | -74 | 163.1 | 0 | 0 | 113 | T432 K467 C524 W525 D528 | T432-M531 HydrophobicContact CG2-CE 3.53Å; T432-M531 HydrophobicContact CG2-SD 4.38Å; K467-M531 HydrophobicContact CB-SD 4.35Å; C524-M531 CarbonylContact C-O 3.16Å; C524-M531 WeakPolarHBondContact CA-O 3.23Å; C524-M531 WeakPolarHBondContact CB-O 3.42Å; W525-M531 HydrophobicContact CB-SD 4.39Å; W525-M531 PolarHBondContact N-O 2.03Å; D528-M531 HydrophobicContact CB-CG 4.45Å; D528-M531 WeakPolarHBondContact O-CB 3Å; D528-M531 PolarHBondContact O-N 2.77Å |
| 532 | C | 88.5 | Confident | 85.6 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 10% | 0.095 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 140.3 | 170.1 | -52.9 | 0 | 0 | 0 | 0 | 110.6 | C518 H534 C544 | C518-C532 WeakPolarHBondContact CA-SG 3.14Å; C518-C532 HydrophobicContact CB-CB 3.57Å; C518-C532 WeakPolarHBondContact CB-SG 3.42Å; C518-C532 PolarHBondContact N-SG 2.83Å; C518-C532 WeakPolarHBondContact SG-CA 3.19Å; C518-C532 WeakPolarHBondContact SG-CB 3.46Å; C518-C532 CovalentContact SG-SG 2.03Å; C518-C532 PolarHBondContact SG-SG 3.3Å; C532-H534 VanDerWaalsContact C-N 3.26Å; C532-H534 PolarHBondContact O-N 2.88Å; C532-C544 VanDerWaalsContact CB-SG 3.5Å |
| 533 | A | 84.1 | Confident | 86.1 | Confident | 27 Ų | 27 | 31 Ų | 31 | 22% | 0.223 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -69.1 | -29.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | A489 M493 L522 G523 | A489-A533 HydrophobicContact CB-CB 3.71Å; M493-A533 HydrophobicContact CE-CB 3.98Å; L522-A533 HydrophobicContact CB-CB 4.25Å; L522-A533 WeakPolarHBondContact O-CB 3.3Å; G523-A533 PolarHBondContact O-N 3.21Å |
| 534 | H | 81.9 | Confident | 86.3 | Confident | 42 Ų | 42 | 31.3 Ų | 31.3 | 19% | 0.194 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -151.3 | 145 | 172.9 | -156.3 | 73.7 | 0 | 0 | 0 | 110 | L519 L522 C532 I598 S600 | L519-H534 HydrophobicContact CB-CB 4.28Å; L519-H534 PolarHBondContact N-O 2.81Å; L522-H534 HydrophobicContact CB-CB 4.19Å; L522-H534 HydrophobicContact CD1-CB 3.55Å; L522-H534 HydrophobicContact CG-CB 4.49Å; C532-H534 VanDerWaalsContact C-N 3.26Å; C532-H534 PolarHBondContact O-N 2.88Å; H534-I598 PolarHBondContact CE1-O 3.35Å; H534-I598 PolarHBondContact NE2-O 2.03Å; H534-S600 PolarHBondContact CD2-OG 2.75Å; H534-S600 PolarHBondContact NE2-OG 2.65Å |
| 535 | C | 85 | Confident | 86.2 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.061 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 134.8 | 177.1 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | G537 C544 S600 | C535-G537 PolarHBondContact O-N 3.49Å; C535-C544 WeakPolarHBondContact CA-SG 3.4Å; C535-C544 HydrophobicContact CB-CB 3.54Å; C535-C544 WeakPolarHBondContact CB-SG 3.32Å; C535-C544 WeakPolarHBondContact SG-CA 3.47Å; C535-C544 WeakPolarHBondContact SG-CB 3.26Å; C535-C544 CovalentContact SG-SG 2.03Å; C535-C544 PolarHBondContact SG-SG 3.41Å; C535-S600 WeakPolarHBondContact CB-OG 3.34Å; C535-S600 PolarHBondContact N-OG 3.49Å; C535-S600 PolarHBondContact O-OG 3.37Å |
| 536 | C | 76.7 | Confident | 85.8 | Confident | 41 Ų | 41 | 34.7 Ų | 34.7 | 28% | 0.277 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -65.7 | -20.7 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 113.3 | E517 C575 | E517-C536 WeakPolarHBondContact O-CB 2.78Å; E517-C536 PolarHBondContact O-N 2.82Å; C536-C575 HydrophobicContact CB-CB 4.41Å; C536-C575 WeakPolarHBondContact CB-SG 3.35Å; C536-C575 WeakPolarHBondContact SG-CA 3.25Å; C536-C575 WeakPolarHBondContact SG-CB 3.46Å; C536-C575 CovalentContact SG-SG 2.04Å; C536-C575 PolarHBondContact SG-SG 2.68Å |
| 537 | G | 75.4 | Confident | 85.4 | Confident | 38 Ų | 38 | 42.4 Ų | 42.4 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -140.9 | -83.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C535 K601 | C535-G537 PolarHBondContact O-N 3.49Å; G537-K601 PolarHBondContact O-N 3.46Å |
| 538 | L | 82.2 | Confident | 85.1 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 152 | -172.2 | -49.9 | 177.1 | 0 | 0 | 0 | 111.6 | C544 V545 K601 | L538-C544 WeakPolarHBondContact O-CA 3.43Å; L538-V545 HydrophobicContact CB-CG2 3.97Å; L538-V545 PolarHBondContact N-O 3.3Å; L538-V545 PolarHBondContact O-N 3.28Å; L538-K601 CarbonylContact C-O 3.58Å; L538-K601 WeakPolarHBondContact CA-O 3.48Å; L538-K601 HydrophobicContact CD2-CB 3.74Å; L538-K601 HydrophobicContact CD2-CD 4.19Å |
| 539 | K | 84.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 39.7 Ų | 39.7 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 111.1 | 173.2 | -177.3 | 165.8 | 174.3 | 168 | 0 | 110.6 | G541 E542 Y543 K601 T602 C603 | K539-G541 WeakPolarHBondContact CE-O 3.36Å; K539-G541 WeakPolarHBondContact CG-O 3.32Å; K539-E542 VanDerWaalsContact CE-OE1 3.25Å; K539-E542 WeakPolarHBondContact CE-OE1 3.46Å; K539-E542 IonicContact NZ-OE1 3.37Å; K539-E542 PolarHBondContact NZ-OE1 3.33Å; K539-Y543 CarbonylContact C-O 3.56Å; K539-Y543 WeakPolarHBondContact CA-O 3.29Å; K539-K601 PolarHBondContact N-O 3.07Å; K539-T602 WeakPolarHBondContact O-CA 3.06Å; K539-C603 PolarHBondContact O-N 3.26Å |
| 540 | A | 85.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 98.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | E542 Y543 V545 H551 F554 C603 | A540-E542 PolarHBondContact O-N 2.79Å; A540-Y543 PolarHBondContact N-O 2.03Å; A540-Y543 PolarHBondContact O-N 3.38Å; A540-V545 HydrophobicContact CB-CG1 4.08Å; A540-V545 HydrophobicContact CB-CG2 3.72Å; A540-H551 HydrophobicContact CB-CB 3.89Å; A540-F554 HydrophobicContact CB-CB 4.1Å; A540-F554 HydrophobicContact CB-CD1 4.17Å; A540-F554 HydrophobicContact CB-CD2 4.12Å; A540-F554 HydrophobicContact CB-CG 3.85Å; A540-C603 HydrophobicContact CB-CB 4.14Å |
| 541 | G | 82.5 | Confident | 83.7 | Confident | 36 Ų | 36 | 44 Ų | 44 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | -108.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K539 F554 | K539-G541 WeakPolarHBondContact CE-O 3.36Å; K539-G541 WeakPolarHBondContact CG-O 3.32Å; G541-F554 VanDerWaalsContact N-CZ 3.29Å |
| 542 | E | 82.2 | Confident | 83.2 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -12.6 | 173.5 | -77.6 | -74.8 | 87.7 | 0 | 0 | 114.1 | K467 N530 K539 A540 | K467-E542 WeakPolarHBondContact CE-OE2 3.36Å; K467-E542 IonicContact NZ-OE2 3.18Å; K467-E542 PolarHBondContact NZ-OE2 3.37Å; N530-E542 VanDerWaalsContact CA-O 3.29Å; N530-E542 WeakPolarHBondContact CA-O 3.42Å; N530-E542 HydrophobicContact CB-CB 4.22Å; N530-E542 WeakPolarHBondContact CB-O 3.46Å; K539-E542 VanDerWaalsContact CE-OE1 3.25Å; K539-E542 WeakPolarHBondContact CE-OE1 3.46Å; K539-E542 IonicContact NZ-OE1 3.37Å; K539-E542 PolarHBondContact NZ-OE1 3.33Å; A540-E542 PolarHBondContact O-N 2.79Å |
| 543 | Y | 88.7 | Confident | 82.8 | Confident | 87 Ų | 87 | 48.1 Ų | 48.1 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 134.1 | -172.8 | -63.8 | -91 | 0 | 0 | 0 | 112.6 | A529 N530 K539 A540 H551 | A529-Y543 HydrophobicContact CB-CD1 4.29Å; N530-Y543 HydrophobicContact CB-CD1 3.64Å; N530-Y543 HydrophobicContact CB-CE1 3.75Å; N530-Y543 HydrophobicContact CB-CG 4.04Å; K539-Y543 CarbonylContact C-O 3.56Å; K539-Y543 WeakPolarHBondContact CA-O 3.29Å; A540-Y543 PolarHBondContact N-O 2.03Å; A540-Y543 PolarHBondContact O-N 3.38Å; Y543-H551 AromaticContact CD2-CE1 3.2Å; Y543-H551 WeakPolarHBondContact CD2-CE1 3.29Å; Y543-H551 AromaticContact CD2-ND1 3.74Å; Y543-H551 AromaticContact CD2-NE2 3.44Å; Y543-H551 WeakPolarHBondContact CD2-NE2 3.09Å; Y543-H551 AromaticContact CE2-CE1 3.33Å; Y543-H551 WeakPolarHBondContact CE2-CE1 3.2Å; Y543-H551 AromaticContact CE2-NE2 3.61Å; Y543-H551 AromaticContact CG-CE1 3.77Å; Y543-H551 AromaticContact CG-ND1 3.89Å; Y543-H551 AromaticContact CZ-CE1 3.98Å |
| 544 | C | 89.5 | Confident | 82.8 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132 | 166.6 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | E517 A529 C532 C535 L538 | E517-C544 HydrophobicContact CB-CB 3.76Å; A529-C544 WeakPolarHBondContact CB-O 3.16Å; A529-C544 WeakPolarHBondContact O-CB 3.25Å; A529-C544 PolarHBondContact O-N 3.12Å; A529-C544 PolarHBondContact O-SG 3.41Å; A529-C544 VanDerWaalsContact O-SG 3.41Å; C532-C544 VanDerWaalsContact CB-SG 3.5Å; C535-C544 WeakPolarHBondContact CA-SG 3.4Å; C535-C544 HydrophobicContact CB-CB 3.54Å; C535-C544 WeakPolarHBondContact CB-SG 3.32Å; C535-C544 WeakPolarHBondContact SG-CA 3.47Å; C535-C544 WeakPolarHBondContact SG-CB 3.26Å; C535-C544 CovalentContact SG-SG 2.03Å; C535-C544 PolarHBondContact SG-SG 3.41Å; L538-C544 WeakPolarHBondContact O-CA 3.43Å |
| 545 | V | 87.6 | Confident | 83 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 155.3 | -174.5 | -65.6 | 0 | 0 | 0 | 0 | 112.4 | L538 A540 R547 D550 H551 | L538-V545 HydrophobicContact CB-CG2 3.97Å; L538-V545 PolarHBondContact N-O 3.3Å; L538-V545 PolarHBondContact O-N 3.28Å; A540-V545 HydrophobicContact CB-CG1 4.08Å; A540-V545 HydrophobicContact CB-CG2 3.72Å; V545-R547 WeakPolarHBondContact CB-O 3.36Å; V545-R547 WeakPolarHBondContact CG2-O 3.34Å; V545-D550 HydrophobicContact CB-CB 4.21Å; V545-D550 HydrophobicContact CG1-CB 4.27Å; V545-H551 HydrophobicContact CG1-CB 4.04Å |
| 546 | S | 83.2 | Confident | 82.8 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -76.4 | -31.2 | 175 | 89.2 | 0 | 0 | 0 | 0 | 111.6 | E517 D550 | E517-S546 WeakPolarHBondContact OE2-CA 3.14Å; E517-S546 WeakPolarHBondContact OE2-CB 3.47Å; E517-S546 PolarHBondContact OE2-N 3.02Å; S546-D550 WeakPolarHBondContact CB-OD2 3.32Å; S546-D550 PolarHBondContact N-OD2 3.2Å; S546-D550 PolarHBondContact OG-OD2 3.5Å |
| 547 | R | 83.9 | Confident | 82.4 | Confident | 163 Ų | 163 | 53.9 Ų | 53.9 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -143 | 146.6 | 175.4 | -59.1 | 174.3 | 178 | 172.2 | -0.9 | 109.6 | V545 T549 D550 | V545-R547 WeakPolarHBondContact CB-O 3.36Å; V545-R547 WeakPolarHBondContact CG2-O 3.34Å; R547-T549 PolarHBondContact O-N 3.17Å; R547-T549 VanDerWaalsContact O-N 3.09Å; R547-D550 PolarHBondContact N-OD2 2.9Å; R547-D550 VanDerWaalsContact O-CB 3.32Å; R547-D550 WeakPolarHBondContact O-CB 3.43Å; R547-D550 VanDerWaalsContact O-CG 3.3Å; R547-D550 PolarHBondContact O-N 3.49Å |
| 548 | C | 83.5 | Confident | 81.8 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -58.3 | -26.5 | 177.5 | -65 | 0 | 0 | 0 | 0 | 114.2 | D550 F554 E556 C603 | C548-D550 VanDerWaalsContact C-N 3.3Å; C548-D550 PolarHBondContact O-N 3.16Å; C548-F554 WeakPolarHBondContact O-CB 3.45Å; C548-E556 HydrophobicContact CB-CB 4.1Å; C548-C603 WeakPolarHBondContact CA-SG 3.39Å; C548-C603 HydrophobicContact CB-CB 3.59Å; C548-C603 WeakPolarHBondContact CB-SG 3.34Å; C548-C603 VanDerWaalsContact SG-CA 3.58Å; C548-C603 WeakPolarHBondContact SG-CB 3.48Å; C548-C603 CovalentContact SG-SG 2.03Å; C548-C603 PolarHBondContact SG-SG 2.9Å |
| 549 | T | 81.2 | Confident | 80.4 | Confident | 80 Ų | 80 | 61.2 Ų | 61.2 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -76 | -11.2 | 176.1 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | R547 H551 | R547-T549 PolarHBondContact O-N 3.17Å; R547-T549 VanDerWaalsContact O-N 3.09Å; T549-H551 PolarHBondContact O-N 3.47Å |
| 550 | D | 81.1 | Confident | 78.2 | Confident | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -72 | -22.3 | -179.7 | -58.3 | -19.3 | 0 | 0 | 0 | 111.6 | V545 S546 R547 C548 | V545-D550 HydrophobicContact CB-CB 4.21Å; V545-D550 HydrophobicContact CG1-CB 4.27Å; S546-D550 WeakPolarHBondContact CB-OD2 3.32Å; S546-D550 PolarHBondContact N-OD2 3.2Å; S546-D550 PolarHBondContact OG-OD2 3.5Å; R547-D550 PolarHBondContact N-OD2 2.9Å; R547-D550 VanDerWaalsContact O-CB 3.32Å; R547-D550 WeakPolarHBondContact O-CB 3.43Å; R547-D550 VanDerWaalsContact O-CG 3.3Å; R547-D550 PolarHBondContact O-N 3.49Å; C548-D550 VanDerWaalsContact C-N 3.3Å; C548-D550 PolarHBondContact O-N 3.16Å |
| 551 | H | 78.1 | Confident | 75.8 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -109.6 | 124.7 | 171.2 | -161.1 | 77.1 | 0 | 0 | 0 | 110 | A540 Y543 V545 T549 F554 | A540-H551 HydrophobicContact CB-CB 3.89Å; Y543-H551 AromaticContact CD2-CE1 3.2Å; Y543-H551 WeakPolarHBondContact CD2-CE1 3.29Å; Y543-H551 AromaticContact CD2-ND1 3.74Å; Y543-H551 AromaticContact CD2-NE2 3.44Å; Y543-H551 WeakPolarHBondContact CD2-NE2 3.09Å; Y543-H551 AromaticContact CE2-CE1 3.33Å; Y543-H551 WeakPolarHBondContact CE2-CE1 3.2Å; Y543-H551 AromaticContact CE2-NE2 3.61Å; Y543-H551 AromaticContact CG-CE1 3.77Å; Y543-H551 AromaticContact CG-ND1 3.89Å; Y543-H551 AromaticContact CZ-CE1 3.98Å; V545-H551 HydrophobicContact CG1-CB 4.04Å; T549-H551 PolarHBondContact O-N 3.47Å; H551-F554 AromaticContact CD2-CD2 3.76Å; H551-F554 AromaticContact CD2-CE2 3.75Å |
| 552 | P | 81.2 | Confident | 73.2 | Confident | 90 Ų | 90 | 77.6 Ų | 77.6 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 143.3 | -179.6 | -27.5 | 35.8 | 0 | 0 | 0 | 113.3 | F554 Q612 | P552-F554 WeakPolarHBondContact O-CD2 2.92Å; P552-Q612 CarbonylContact C-O 3.52Å; P552-Q612 VanDerWaalsContact CA-O 3.24Å; P552-Q612 WeakPolarHBondContact CA-O 3.43Å |
| 553 | G | 79.8 | Confident | 70.9 | Confident | 22 Ų | 22 | 82.6 Ų | 82.6 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 10.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | C606 Q612 | G553-C606 WeakPolarHBondContact O-CB 3.05Å; G553-C606 PolarHBondContact O-N 2.96Å; G553-C606 PolarHBondContact O-SG 2.7Å; G553-C606 VanDerWaalsContact O-SG 3.42Å; G553-Q612 PolarHBondContact N-O 2.75Å |
| 554 | F | 85.2 | Confident | 68 | Low | 23 Ų | 23 | 83.6 Ų | 83.6 | 10% | 0.101 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 154 | 178.2 | -71.5 | -91.9 | 0 | 0 | 0 | 113.7 | A540 G541 C548 H551 P552 C603 A604 I605 T613 | A540-F554 HydrophobicContact CB-CB 4.1Å; A540-F554 HydrophobicContact CB-CD1 4.17Å; A540-F554 HydrophobicContact CB-CD2 4.12Å; A540-F554 HydrophobicContact CB-CG 3.85Å; G541-F554 VanDerWaalsContact N-CZ 3.29Å; C548-F554 WeakPolarHBondContact O-CB 3.45Å; H551-F554 AromaticContact CD2-CD2 3.76Å; H551-F554 AromaticContact CD2-CE2 3.75Å; P552-F554 WeakPolarHBondContact O-CD2 2.92Å; F554-C603 HydrophobicContact CB-CB 4.04Å; F554-C603 HydrophobicContact CD1-CB 3.88Å; F554-C603 HydrophobicContact CG-CB 4.35Å; F554-A604 CarbonylContact C-O 3.52Å; F554-A604 WeakPolarHBondContact CA-O 3.42Å; F554-A604 WeakPolarHBondContact CD1-O 3.47Å; F554-I605 HydrophobicContact CD1-CG1 4.23Å; F554-I605 HydrophobicContact CE1-CB 4.42Å; F554-I605 HydrophobicContact CE1-CG1 3.56Å; F554-I605 HydrophobicContact CZ-CG1 4.11Å; F554-T613 PolarHBondContact O-OG1 3.31Å |
| 555 | Y | 86.5 | Confident | 65.2 | Low | 22 Ų | 22 | 89.7 Ų | 89.7 | 9% | 0.086 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 162 | 174.9 | 77.8 | -80.8 | 0 | 0 | 0 | 112.1 | L557 C603 A604 C614 P617 | Y555-L557 HydrophobicContact CE2-CD2 4.33Å; Y555-C603 CarbonylContact O-C 3.5Å; Y555-C603 WeakPolarHBondContact O-CA 3.41Å; Y555-C603 WeakPolarHBondContact O-CB 3.32Å; Y555-A604 HydrophobicContact CD1-CB 3.85Å; Y555-A604 VanDerWaalsContact CD1-O 3.32Å; Y555-A604 WeakPolarHBondContact CD1-O 2.97Å; Y555-A604 HydrophobicContact CD2-CB 4.5Å; Y555-A604 HydrophobicContact CE1-CB 3.3Å; Y555-A604 HydrophobicContact CE2-CB 4Å; Y555-A604 HydrophobicContact CG-CB 4.42Å; Y555-A604 PolarHBondContact N-O 2.77Å; Y555-A604 PolarHBondContact O-N 2.96Å; Y555-C614 VanDerWaalsContact CB-O 3.31Å; Y555-C614 WeakPolarHBondContact CB-O 3.46Å; Y555-C614 WeakPolarHBondContact CD1-SG 3.18Å; Y555-P617 HydrophobicContact CE1-CB 4.43Å; Y555-P617 WeakPolarHBondContact OH-CD 3.25Å |
| 556 | E | 80.3 | Confident | 62.5 | Low | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | trans | -92.3 | 134.5 | 179.3 | -165 | 169.7 | -172.6 | 0 | 0 | 111 | C548 | C548-E556 HydrophobicContact CB-CB 4.1Š| ||
| 557 | L | 68.6 | Low | 59.8 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | trans | -69.4 | 132.3 | -179.4 | -76.3 | 169.9 | 0 | 0 | 0 | 111.2 | Y555 T559 A604 | Y555-L557 HydrophobicContact CE2-CD2 4.33Å; L557-T559 PolarHBondContact O-N 2.56Å; L557-A604 HydrophobicContact CD2-CB 3.79Å; L557-A604 HydrophobicContact CG-CB 3.93Å | ||
| 558 | P | 62.7 | Low | 57.1 | Low | 114 Ų | 114 | 98.7 Ų | 98.7 | 74% | 0.74 | 54% | 0.544 | S | S | * | . | trans | -61.8 | 105.2 | 172.9 | -22.3 | 33.6 | 0 | 0 | 0 | 111.2 | P560 | P558-P560 WeakPolarHBondContact O-CD 3.5Š| ||
| 559 | T | 52.4 | Low | 54.5 | Low | 97 Ų | 97 | 102.7 Ų | 102.7 | 60% | 0.595 | 57% | 0.568 | S | S | * | * | trans | -72.3 | 123.2 | 179.2 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | L557 | L557-T559 PolarHBondContact O-N 2.56Š| ||
| 560 | P | 38.4 | Very low | 51.9 | Low | 113 Ų | 113 | 104.6 Ų | 104.6 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | trans | -72.2 | 138.7 | 171.8 | 30.7 | -33.8 | 0 | 0 | 0 | 110.8 | P558 | P558-P560 WeakPolarHBondContact O-CD 3.5Š| ||
| 561 | F | 34.8 | Very low | 49.4 | Very low | 199 Ų | 199 | 108.2 Ų | 108.2 | 87% | 0.873 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 73.4 | 149.5 | 176.5 | -67 | -84.7 | 0 | 0 | 0 | 119.1 | ||
| 562 | N | 28.7 | Very low | 47 | Very low | 136 Ų | 136 | 112 Ų | 112 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -74.3 | 140.2 | -175.7 | -69.8 | -55.3 | 0 | 0 | 0 | 112.4 | ||||
| 563 | H | 33.3 | Very low | 44.9 | Very low | 178 Ų | 178 | 113.3 Ų | 113.3 | 82% | 0.824 | 63% | 0.63 | S | S | * | * | trans | -131.9 | 71.3 | 152.4 | -105.5 | -79.1 | 0 | 0 | 0 | 112.2 | I565 | H563-I565 PolarHBondContact O-N 3.36Š| ||
| 564 | S | 28.3 | Very low | 43.2 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 65% | 0.648 | S | S | * | * | trans | -75.2 | 50.7 | 174.9 | -58.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 565 | I | 31.4 | Very low | 41.2 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | trans | -136.9 | 77.9 | 166.9 | -56.2 | 89.6 | 0 | 0 | 0 | 110.4 | H563 | H563-I565 PolarHBondContact O-N 3.36Š| ||
| 566 | L | 29.2 | Very low | 39.1 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | S | Bend | -163.2 | 133.6 | 125.9 | -138 | 69.8 | 0 | 0 | 0 | 110.2 | |||
| 567 | G | 27.6 | Very low | 37.2 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 62% | 0.619 | 68% | 0.684 | S | S | * | * | trans | -86.1 | 136.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | T569 | G567-T569 PolarHBondContact O-N 2.63Š| ||
| 568 | K | 27.2 | Very low | 36.1 | Very low | 215 Ų | 215 | 125.6 Ų | 125.6 | 94% | 0.935 | 69% | 0.694 | S | S | * | * | trans | 3 | 96.1 | 143.9 | -61.1 | 174.8 | 179.8 | 176.4 | 0 | 116.6 | ||||
| 569 | T | 27.6 | Very low | 35.4 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 53% | 0.528 | 69% | 0.687 | S | S | . | * | trans | -139.3 | 105.9 | 154.6 | 41.2 | 0 | 0 | 0 | 0 | 111.6 | G567 R576 | G567-T569 PolarHBondContact O-N 2.63Å; T569-R576 PolarHBondContact O-NH2 2.83Å; T569-R576 VanDerWaalsContact O-NH2 3.12Å; T569-R576 PolarHBondContact OG1-NH2 3.47Å | ||
| 570 | T | 27.3 | Very low | 34.9 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | trans | 21.1 | 122.1 | 148.5 | 54.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 571 | N | 29.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 119.2 Ų | 119.2 | 85% | 0.845 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 58.5 | 124.4 | 148.7 | -60.4 | -2.1 | 0 | 0 | 0 | 119.3 | ||
| 572 | N | 27.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 118.8 Ų | 118.8 | 70% | 0.695 | 65% | 0.649 | S | S | * | * | trans | 70.7 | 116.2 | 169 | -145.9 | 33.6 | 0 | 0 | 0 | 115.5 | V574 | N572-V574 HydrophobicContact CB-CG2 4.36Å; N572-V574 WeakPolarHBondContact ND2-CG2 3.46Å; N572-V574 PolarHBondContact O-N 3.37Å | ||
| 573 | P | 37.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 115.1 Ų | 115.1 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | trans | -79.2 | 60.8 | 174.6 | 35.9 | -35.5 | 0 | 0 | 0 | 110.9 | C575 | P573-C575 PolarHBondContact O-N 2.96Š| ||
| 574 | V | 42.3 | Very low | 38.5 | Very low | 99 Ų | 99 | 109.3 Ų | 109.3 | 60% | 0.6 | 61% | 0.609 | S | S | * | * | trans | -61.2 | 134.4 | 163.6 | -179 | 0 | 0 | 0 | 0 | 107.4 | N572 R576 | N572-V574 HydrophobicContact CB-CG2 4.36Å; N572-V574 WeakPolarHBondContact ND2-CG2 3.46Å; N572-V574 PolarHBondContact O-N 3.37Å; V574-R576 PolarHBondContact O-N 2.64Å | ||
| 575 | C | 44 | Very low | 39.5 | Very low | 31 Ų | 31 | 108.2 Ų | 108.2 | 21% | 0.209 | 59% | 0.593 | C | S | . | * | trans | -45.3 | 105.5 | 179.1 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | C536 P573 T577 | C536-C575 HydrophobicContact CB-CB 4.41Å; C536-C575 WeakPolarHBondContact CB-SG 3.35Å; C536-C575 WeakPolarHBondContact SG-CA 3.25Å; C536-C575 WeakPolarHBondContact SG-CB 3.46Å; C536-C575 CovalentContact SG-SG 2.04Å; C536-C575 PolarHBondContact SG-SG 2.68Å; P573-C575 PolarHBondContact O-N 2.96Å; C575-T577 PolarHBondContact O-N 2.79Å | ||
| 576 | R | 43.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 104.2 Ų | 104.2 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | trans | -79.3 | 91.8 | -179 | -74.5 | -167.8 | 175.9 | -162.1 | -1.6 | 108.7 | T569 V574 L578 | T569-R576 PolarHBondContact O-NH2 2.83Å; T569-R576 VanDerWaalsContact O-NH2 3.12Å; T569-R576 PolarHBondContact OG1-NH2 3.47Å; V574-R576 PolarHBondContact O-N 2.64Å; R576-L578 PolarHBondContact O-N 3.5Å | ||
| 577 | T | 39.8 | Very low | 42 | Very low | 104 Ų | 104 | 101.2 Ų | 101.2 | 64% | 0.638 | 56% | 0.562 | S | S | * | * | trans | -36.5 | 115.2 | 167.8 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | C575 | C575-T577 PolarHBondContact O-N 2.79Š| ||
| 578 | L | 45.6 | Very low | 43.1 | Very low | 130 Ų | 130 | 101.4 Ų | 101.4 | 68% | 0.681 | 55% | 0.547 | S | S | * | . | trans | -155.5 | 104.1 | -177.9 | -112.3 | 155.8 | 0 | 0 | 0 | 111.4 | R576 | R576-L578 PolarHBondContact O-N 3.5Š| ||
| 579 | P | 48.2 | Very low | 44.3 | Very low | 91 Ų | 91 | 95.7 Ų | 95.7 | 59% | 0.591 | 53% | 0.527 | S | S | * | . | S | Bend | cis | -139.1 | 124.7 | -33.1 | 33 | -16 | 0 | 0 | 0 | 113.2 | ||
| 580 | L | 41.9 | Very low | 45.3 | Very low | 28 Ų | 28 | 98.3 Ų | 98.3 | 15% | 0.147 | 53% | 0.533 | C | S | . | . | trans | -140.3 | 118.3 | 150.3 | -67 | 178.4 | 0 | 0 | 0 | 110.3 | D584 M585 M588 I593 | L580-D584 HydrophobicContact CD2-CB 3.81Å; L580-M585 HydrophobicContact CB-CG 3.65Å; L580-M585 HydrophobicContact CD1-CG 4.06Å; L580-M585 HydrophobicContact CG-CG 4.43Å; L580-M588 HydrophobicContact CD1-CE 4.13Å; L580-M588 HydrophobicContact CD2-CE 3.79Å; L580-M588 HydrophobicContact CD2-SD 3.33Å; L580-M588 WeakPolarHBondContact CD2-SD 3.32Å; L580-I593 HydrophobicContact CD1-CB 4.49Å; L580-I593 HydrophobicContact CD1-CG1 4.16Å; L580-I593 HydrophobicContact CD1-CG2 4.18Å | ||
| 581 | T | 51.1 | Low | 46.2 | Very low | 72 Ų | 72 | 99.1 Ų | 99.1 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | trans | -77.3 | 164.8 | 165.3 | 70 | 0 | 0 | 0 | 0 | 110.2 | S583 D584 M585 | T581-S583 PolarHBondContact O-N 3.15Å; T581-S583 PolarHBondContact OG1-OG 2.96Å; T581-D584 WeakPolarHBondContact CB-OD2 3.28Å; T581-D584 WeakPolarHBondContact CG2-OD2 3.49Å; T581-D584 PolarHBondContact N-OD2 2.94Å; T581-D584 PolarHBondContact O-N 3.38Å; T581-D584 PolarHBondContact OG1-N 3.43Å; T581-D584 PolarHBondContact OG1-OD1 3.23Å; T581-D584 PolarHBondContact OG1-OD2 2.84Å; T581-M585 WeakPolarHBondContact O-CG 3.32Å; T581-M585 PolarHBondContact O-N 3.2Å | ||
| 582 | K | 49.3 | Very low | 47 | Very low | 190 Ų | 190 | 93 Ų | 93 | 83% | 0.826 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.4 | 176.1 | -82.5 | -168 | 172.3 | -172.6 | 0 | 113.7 | A586 | K582-A586 WeakPolarHBondContact O-CB 3.34Å; K582-A586 PolarHBondContact O-N 3.18Å |
| 583 | S | 55.1 | Low | 48.1 | Very low | 58 Ų | 58 | 89.1 Ų | 89.1 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -51.7 | 171 | 19.4 | 0 | 0 | 0 | 0 | 111 | T581 M585 A586 E587 | T581-S583 PolarHBondContact O-N 3.15Å; T581-S583 PolarHBondContact OG1-OG 2.96Å; S583-M585 VanDerWaalsContact C-N 3.29Å; S583-M585 PolarHBondContact O-N 3.04Å; S583-A586 WeakPolarHBondContact O-CA 3.47Å; S583-A586 WeakPolarHBondContact O-CB 3.29Å; S583-A586 PolarHBondContact O-N 3.35Å; S583-E587 WeakPolarHBondContact O-CG 3.32Å; S583-E587 PolarHBondContact O-N 2.68Å |
| 584 | D | 54.2 | Low | 48.6 | Very low | 57 Ų | 57 | 89.2 Ų | 89.2 | 31% | 0.305 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.9 | -40.4 | -29.5 | 0 | 0 | 0 | 111.3 | L580 T581 A586 E587 M588 | L580-D584 HydrophobicContact CD2-CB 3.81Å; T581-D584 WeakPolarHBondContact CB-OD2 3.28Å; T581-D584 WeakPolarHBondContact CG2-OD2 3.49Å; T581-D584 PolarHBondContact N-OD2 2.94Å; T581-D584 PolarHBondContact O-N 3.38Å; T581-D584 PolarHBondContact OG1-N 3.43Å; T581-D584 PolarHBondContact OG1-OD1 3.23Å; T581-D584 PolarHBondContact OG1-OD2 2.84Å; D584-A586 VanDerWaalsContact C-N 3.27Å; D584-A586 PolarHBondContact O-N 3.11Å; D584-E587 PolarHBondContact O-N 3.29Å; D584-M588 WeakPolarHBondContact O-CG 3.38Å; D584-M588 PolarHBondContact O-N 3.44Å; D584-M588 VanDerWaalsContact O-N 3.15Å |
| 585 | M | 49 | Very low | 48.8 | Very low | 84 Ų | 84 | 88.7 Ų | 88.7 | 41% | 0.414 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -22.2 | 173.1 | -64.5 | -169.5 | 82.4 | 0 | 0 | 114.3 | L580 T581 S583 | L580-M585 HydrophobicContact CB-CG 3.65Å; L580-M585 HydrophobicContact CD1-CG 4.06Å; L580-M585 HydrophobicContact CG-CG 4.43Å; T581-M585 WeakPolarHBondContact O-CG 3.32Å; T581-M585 PolarHBondContact O-N 3.2Å; S583-M585 VanDerWaalsContact C-N 3.29Å; S583-M585 PolarHBondContact O-N 3.04Å |
| 586 | A | 58 | Low | 49 | Very low | 50 Ų | 50 | 89.7 Ų | 89.7 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -86.6 | -10.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K582 S583 D584 E1417 | K582-A586 WeakPolarHBondContact O-CB 3.34Å; K582-A586 PolarHBondContact O-N 3.18Å; S583-A586 WeakPolarHBondContact O-CA 3.47Å; S583-A586 WeakPolarHBondContact O-CB 3.29Å; S583-A586 PolarHBondContact O-N 3.35Å; D584-A586 VanDerWaalsContact C-N 3.27Å; D584-A586 PolarHBondContact O-N 3.11Å; A586-E1417 HydrophobicContact CB-CG 3.89Å |
| 587 | E | 55.8 | Low | 49.5 | Very low | 88 Ų | 88 | 85 Ų | 85 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -106.2 | -27.3 | -179.2 | -63.9 | 175.7 | 164.3 | 0 | 0 | 112.9 | S583 D584 H1415 T1416 | S583-E587 WeakPolarHBondContact O-CG 3.32Å; S583-E587 PolarHBondContact O-N 2.68Å; D584-E587 PolarHBondContact O-N 3.29Å; E587-H1415 VanDerWaalsContact CD-CE1 3.41Å; E587-H1415 IonicContact OE1-CE1 2.76Å; E587-H1415 PolarHBondContact OE1-CE1 3.13Å; E587-H1415 IonicContact OE1-CG 2.64Å; E587-H1415 IonicContact OE1-ND1 2.63Å; E587-H1415 PolarHBondContact OE1-ND1 1.91Å; E587-H1415 IonicContact OE2-CE1 2.69Å; E587-H1415 PolarHBondContact OE2-CE1 2.62Å; E587-H1415 IonicContact OE2-ND1 2.77Å; E587-H1415 PolarHBondContact OE2-ND1 2.97Å; E587-T1416 HydrophobicContact CG-CG2 4.03Å; E587-T1416 WeakPolarHBondContact OE1-CG2 3.34Å |
| 588 | M | 51.4 | Low | 50.1 | Low | 64 Ų | 64 | 86.4 Ų | 86.4 | 32% | 0.315 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -85.9 | 141.8 | -178.3 | -76.5 | 173.7 | 51.8 | 0 | 0 | 113 | L580 D584 A592 I593 | L580-M588 HydrophobicContact CD1-CE 4.13Å; L580-M588 HydrophobicContact CD2-CE 3.79Å; L580-M588 HydrophobicContact CD2-SD 3.33Å; L580-M588 WeakPolarHBondContact CD2-SD 3.32Å; D584-M588 WeakPolarHBondContact O-CG 3.38Å; D584-M588 PolarHBondContact O-N 3.44Å; D584-M588 VanDerWaalsContact O-N 3.15Å; M588-A592 HydrophobicContact CB-CB 4.16Å; M588-A592 VanDerWaalsContact CE-C 3.42Å; M588-A592 HydrophobicContact CE-CB 3.82Å; M588-A592 VanDerWaalsContact CE-O 3.29Å; M588-A592 WeakPolarHBondContact CE-O 3.35Å; M588-A592 HydrophobicContact CG-CB 4.39Å; M588-I593 HydrophobicContact CB-CG1 3.97Å; M588-I593 HydrophobicContact CE-CG1 4.28Å |
| 589 | D | 52.2 | Low | 50.5 | Low | 94 Ų | 94 | 85.2 Ų | 85.2 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | trans | -74.7 | 165.9 | 171.4 | 73.3 | 61.9 | 0 | 0 | 0 | 112.6 | Q591 A592 I593 | D589-Q591 VanDerWaalsContact C-N 3.28Å; D589-Q591 PolarHBondContact O-N 2.82Å; D589-Q591 WeakPolarHBondContact OD1-CA 3.48Å; D589-Q591 WeakPolarHBondContact OD1-CB 2.98Å; D589-Q591 PolarHBondContact OD1-N 2.83Å; D589-A592 WeakPolarHBondContact O-CB 3.4Å; D589-A592 PolarHBondContact O-N 2.99Å; D589-A592 VanDerWaalsContact O-N 3.08Å; D589-A592 PolarHBondContact OD1-N 3.05Å; D589-I593 PolarHBondContact O-N 3.28Å | ||
| 590 | E | 47.8 | Very low | 51.3 | Low | 142 Ų | 142 | 82 Ų | 82 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -59.3 | -33.6 | -177.1 | -172.1 | 175.2 | -160 | 0 | 0 | 113.1 | I594 | E590-I594 HydrophobicContact CG-CD1 4.5Å; E590-I594 WeakPolarHBondContact O-CD1 3.43Å; E590-I594 VanDerWaalsContact O-CG1 3.28Å; E590-I594 WeakPolarHBondContact O-CG1 3.22Å; E590-I594 PolarHBondContact O-N 2.92Å |
| 591 | Q | 45.8 | Very low | 52.8 | Low | 137 Ų | 137 | 86.6 Ų | 86.6 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.6 | -37.9 | 174.7 | -67.4 | 94 | 82.1 | 0 | 0 | 111.5 | D589 I594 A595 | D589-Q591 VanDerWaalsContact C-N 3.28Å; D589-Q591 PolarHBondContact O-N 2.82Å; D589-Q591 WeakPolarHBondContact OD1-CA 3.48Å; D589-Q591 WeakPolarHBondContact OD1-CB 2.98Å; D589-Q591 PolarHBondContact OD1-N 2.83Å; Q591-I594 PolarHBondContact O-N 3.31Å; Q591-A595 VanDerWaalsContact O-CB 3.3Å; Q591-A595 WeakPolarHBondContact O-CB 3.32Å; Q591-A595 PolarHBondContact O-N 3.24Å |
| 592 | A | 47.5 | Very low | 54.1 | Low | 31 Ų | 31 | 87.8 Ų | 87.8 | 26% | 0.256 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M588 D589 A595 S596 | M588-A592 HydrophobicContact CB-CB 4.16Å; M588-A592 VanDerWaalsContact CE-C 3.42Å; M588-A592 HydrophobicContact CE-CB 3.82Å; M588-A592 VanDerWaalsContact CE-O 3.29Å; M588-A592 WeakPolarHBondContact CE-O 3.35Å; M588-A592 HydrophobicContact CG-CB 4.39Å; D589-A592 WeakPolarHBondContact O-CB 3.4Å; D589-A592 PolarHBondContact O-N 2.99Å; D589-A592 VanDerWaalsContact O-N 3.08Å; D589-A592 PolarHBondContact OD1-N 3.05Å; A592-A595 PolarHBondContact O-N 2.93Å; A592-S596 PolarHBondContact O-N 2.81Å |
| 593 | I | 50.8 | Low | 55.9 | Low | 47 Ų | 47 | 79.3 Ų | 79.3 | 24% | 0.241 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63 | -49.8 | 174 | -65 | 171.7 | 0 | 0 | 0 | 110 | L580 M588 D589 A595 S596 | L580-I593 HydrophobicContact CD1-CB 4.49Å; L580-I593 HydrophobicContact CD1-CG1 4.16Å; L580-I593 HydrophobicContact CD1-CG2 4.18Å; M588-I593 HydrophobicContact CB-CG1 3.97Å; M588-I593 HydrophobicContact CE-CG1 4.28Å; D589-I593 PolarHBondContact O-N 3.28Å; I593-A595 VanDerWaalsContact C-N 3.29Å; I593-A595 PolarHBondContact O-N 3.43Å; I593-S596 PolarHBondContact O-N 2.72Å; I593-S596 VanDerWaalsContact O-N 3.13Å; I593-S596 PolarHBondContact O-OG 2.77Å |
| 594 | I | 48.1 | Very low | 57.3 | Low | 121 Ų | 121 | 77.4 Ų | 77.4 | 62% | 0.621 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.6 | -39.3 | 178.8 | -67.5 | 168.2 | 0 | 0 | 0 | 111.2 | E590 Q591 S596 V597 | E590-I594 HydrophobicContact CG-CD1 4.5Å; E590-I594 WeakPolarHBondContact O-CD1 3.43Å; E590-I594 VanDerWaalsContact O-CG1 3.28Å; E590-I594 WeakPolarHBondContact O-CG1 3.22Å; E590-I594 PolarHBondContact O-N 2.92Å; Q591-I594 PolarHBondContact O-N 3.31Å; I594-S596 VanDerWaalsContact C-N 3.25Å; I594-S596 PolarHBondContact O-N 3.32Å; I594-V597 PolarHBondContact O-N 3.17Å |
| 595 | A | 46.1 | Very low | 58.7 | Low | 88 Ų | 88 | 80.4 Ų | 80.4 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.1 | -18.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q591 A592 I593 | Q591-A595 VanDerWaalsContact O-CB 3.3Å; Q591-A595 WeakPolarHBondContact O-CB 3.32Å; Q591-A595 PolarHBondContact O-N 3.24Å; A592-A595 PolarHBondContact O-N 2.93Å; I593-A595 VanDerWaalsContact C-N 3.29Å; I593-A595 PolarHBondContact O-N 3.43Å |
| 596 | S | 47 | Very low | 60.5 | Low | 52 Ų | 52 | 76.8 Ų | 76.8 | 36% | 0.364 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12.3 | 177.2 | 71 | 0 | 0 | 0 | 0 | 114.8 | A592 I593 I594 I598 | A592-S596 PolarHBondContact O-N 2.81Å; I593-S596 PolarHBondContact O-N 2.72Å; I593-S596 VanDerWaalsContact O-N 3.13Å; I593-S596 PolarHBondContact O-OG 2.77Å; I594-S596 VanDerWaalsContact C-N 3.25Å; I594-S596 PolarHBondContact O-N 3.32Å; S596-I598 PolarHBondContact O-N 3.04Å |
| 597 | V | 53.8 | Low | 61.9 | Low | 56 Ų | 56 | 77.2 Ų | 77.2 | 34% | 0.339 | 43% | 0.425 | S | S | . | . | trans | -77.1 | 94.6 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | L522 I594 P599 | L522-V597 HydrophobicContact CD1-CG1 3.7Å; L522-V597 HydrophobicContact CD1-CG2 4.22Å; I594-V597 PolarHBondContact O-N 3.17Å; V597-P599 WeakPolarHBondContact O-CD 3.37Å | ||
| 598 | I | 52.6 | Low | 63.3 | Low | 134 Ų | 134 | 77.2 Ų | 77.2 | 69% | 0.687 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 127.2 | 176.7 | -55.9 | 177 | 0 | 0 | 0 | 109.8 | H534 S596 S600 | H534-I598 PolarHBondContact CE1-O 3.35Å; H534-I598 PolarHBondContact NE2-O 2.03Å; S596-I598 PolarHBondContact O-N 3.04Å; I598-S600 PolarHBondContact O-N 3.13Å |
| 599 | P | 55.1 | Low | 65.1 | Low | 106 Ų | 106 | 74.8 Ų | 74.8 | 69% | 0.688 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 130.5 | 174.7 | -26.2 | 35.3 | 0 | 0 | 0 | 112.7 | V597 | V597-P599 WeakPolarHBondContact O-CD 3.37Š|
| 600 | S | 64.2 | Low | 66.8 | Low | 23 Ų | 23 | 71 Ų | 71 | 16% | 0.161 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 137.5 | 174.4 | -44.1 | 0 | 0 | 0 | 0 | 110.6 | H534 C535 I598 T602 | H534-S600 PolarHBondContact CD2-OG 2.75Å; H534-S600 PolarHBondContact NE2-OG 2.65Å; C535-S600 WeakPolarHBondContact CB-OG 3.34Å; C535-S600 PolarHBondContact N-OG 3.49Å; C535-S600 PolarHBondContact O-OG 3.37Å; I598-S600 PolarHBondContact O-N 3.13Å; S600-T602 PolarHBondContact O-N 2.9Å |
| 601 | K | 72.7 | Confident | 68.4 | Low | 124 Ų | 124 | 66.7 Ų | 66.7 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 127.9 | 179.3 | -69.1 | -177.8 | 178.3 | -177.8 | 0 | 110.3 | G537 L538 K539 | G537-K601 PolarHBondContact O-N 3.46Å; L538-K601 CarbonylContact C-O 3.58Å; L538-K601 WeakPolarHBondContact CA-O 3.48Å; L538-K601 HydrophobicContact CD2-CB 3.74Å; L538-K601 HydrophobicContact CD2-CD 4.19Å; K539-K601 PolarHBondContact N-O 3.07Å |
| 602 | T | 80.2 | Confident | 70.1 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 133.1 | 175.9 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | K539 S600 | K539-T602 WeakPolarHBondContact O-CA 3.06Å; S600-T602 PolarHBondContact O-N 2.9Å |
| 603 | C | 85.5 | Confident | 71.7 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 145.2 | 168.2 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | K539 A540 C548 F554 Y555 | K539-C603 PolarHBondContact O-N 3.26Å; A540-C603 HydrophobicContact CB-CB 4.14Å; C548-C603 WeakPolarHBondContact CA-SG 3.39Å; C548-C603 HydrophobicContact CB-CB 3.59Å; C548-C603 WeakPolarHBondContact CB-SG 3.34Å; C548-C603 VanDerWaalsContact SG-CA 3.58Å; C548-C603 WeakPolarHBondContact SG-CB 3.48Å; C548-C603 CovalentContact SG-SG 2.03Å; C548-C603 PolarHBondContact SG-SG 2.9Å; F554-C603 HydrophobicContact CB-CB 4.04Å; F554-C603 HydrophobicContact CD1-CB 3.88Å; F554-C603 HydrophobicContact CG-CB 4.35Å; Y555-C603 CarbonylContact O-C 3.5Å; Y555-C603 WeakPolarHBondContact O-CA 3.41Å; Y555-C603 WeakPolarHBondContact O-CB 3.32Å |
| 604 | A | 84.7 | Confident | 73.4 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 152.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | F554 Y555 L557 | F554-A604 CarbonylContact C-O 3.52Å; F554-A604 WeakPolarHBondContact CA-O 3.42Å; F554-A604 WeakPolarHBondContact CD1-O 3.47Å; Y555-A604 HydrophobicContact CD1-CB 3.85Å; Y555-A604 VanDerWaalsContact CD1-O 3.32Å; Y555-A604 WeakPolarHBondContact CD1-O 2.97Å; Y555-A604 HydrophobicContact CD2-CB 4.5Å; Y555-A604 HydrophobicContact CE1-CB 3.3Å; Y555-A604 HydrophobicContact CE2-CB 4Å; Y555-A604 HydrophobicContact CG-CB 4.42Å; Y555-A604 PolarHBondContact N-O 2.77Å; Y555-A604 PolarHBondContact O-N 2.96Å; L557-A604 HydrophobicContact CD2-CB 3.79Å; L557-A604 HydrophobicContact CG-CB 3.93Å |
| 605 | I | 84.4 | Confident | 75.2 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 62% | 0.621 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 135.8 | -174.9 | -52.8 | 167.6 | 0 | 0 | 0 | 109.3 | F554 | F554-I605 HydrophobicContact CD1-CG1 4.23Å; F554-I605 HydrophobicContact CE1-CB 4.42Å; F554-I605 HydrophobicContact CE1-CG1 3.56Å; F554-I605 HydrophobicContact CZ-CG1 4.11Å |
| 606 | C | 86.9 | Confident | 76.9 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.054 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 161.7 | 173.5 | -65 | 0 | 0 | 0 | 0 | 112.6 | G553 C610 C614 | G553-C606 WeakPolarHBondContact O-CB 3.05Å; G553-C606 PolarHBondContact O-N 2.96Å; G553-C606 PolarHBondContact O-SG 2.7Å; G553-C606 VanDerWaalsContact O-SG 3.42Å; C606-C610 HydrophobicContact CB-CB 4.25Å; C606-C614 WeakPolarHBondContact CA-SG 3.37Å; C606-C614 HydrophobicContact CB-CB 3.71Å; C606-C614 WeakPolarHBondContact CB-SG 3.05Å; C606-C614 WeakPolarHBondContact SG-CB 3.25Å; C606-C614 PolarHBondContact SG-N 3.34Å; C606-C614 CovalentContact SG-SG 2.03Å; C606-C614 PolarHBondContact SG-SG 2.78Å |
| 607 | H | 86.9 | Confident | 78.6 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 138.4 | 171.2 | -166.3 | -101.9 | 0 | 0 | 0 | 110.5 | E609 C610 A619 | H607-E609 PolarHBondContact O-N 2.95Å; H607-C610 PolarHBondContact O-N 2.73Å; H607-C610 PolarHBondContact O-SG 3.32Å; H607-A619 HydrophobicContact CB-CB 4.49Å; H607-A619 WeakPolarHBondContact ND1-CB 3.45Å |
| 608 | P | 86.1 | Confident | 80.1 | Confident | 88 Ų | 88 | 62.4 Ų | 62.4 | 57% | 0.571 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.2 | -174.8 | -29.1 | 36.6 | 0 | 0 | 0 | 116.4 | K627 | P608-K627 WeakPolarHBondContact O-CD 3.39Å; P608-K627 PolarHBondContact O-NZ 2.87Å |
| 609 | E | 89.2 | Confident | 81.7 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -2.3 | -179.9 | -62.5 | -57.9 | 119.1 | 0 | 0 | 114.7 | H607 K627 H628 C635 L636 P637 | H607-E609 PolarHBondContact O-N 2.95Å; E609-K627 VanDerWaalsContact O-CB 3.25Å; E609-K627 WeakPolarHBondContact O-CB 3.42Å; E609-K627 PolarHBondContact O-N 3.14Å; E609-H628 VanDerWaalsContact CD-ND1 3.28Å; E609-H628 IonicContact OE1-CE1 3.34Å; E609-H628 PolarHBondContact OE1-CE1 3.15Å; E609-H628 IonicContact OE1-ND1 3.02Å; E609-H628 PolarHBondContact OE1-ND1 2.02Å; E609-H628 VanDerWaalsContact OE1-ND1 3.09Å; E609-H628 IonicContact OE2-CE1 2.81Å; E609-H628 IonicContact OE2-CG 2.7Å; E609-H628 IonicContact OE2-ND1 3.05Å; E609-H628 PolarHBondContact OE2-ND1 2.97Å; E609-C635 HydrophobicContact CB-CB 3.57Å; E609-L636 VanDerWaalsContact OE2-C 3.23Å; E609-P637 WeakPolarHBondContact OE2-CA 3.08Å |
| 610 | C | 87.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 10% | 0.095 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -78.6 | 127.2 | 171.2 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | C606 H607 C622 | C606-C610 HydrophobicContact CB-CB 4.25Å; H607-C610 PolarHBondContact O-N 2.73Å; H607-C610 PolarHBondContact O-SG 3.32Å; C610-C622 WeakPolarHBondContact CA-SG 3.11Å; C610-C622 HydrophobicContact CB-CB 3.62Å; C610-C622 WeakPolarHBondContact CB-SG 3.21Å; C610-C622 WeakPolarHBondContact SG-CA 3.4Å; C610-C622 WeakPolarHBondContact SG-CB 3.48Å; C610-C622 CovalentContact SG-SG 2.04Å; C610-C622 PolarHBondContact SG-SG 3.1Å |
| 611 | A | 81.6 | Confident | 84.4 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 44% | 0.438 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -81.1 | -19.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E625 K627 | A611-E625 WeakPolarHBondContact CB-O 3.03Å; A611-E625 PolarHBondContact N-O 2.83Å; A611-K627 HydrophobicContact CB-CB 4.41Å |
| 612 | Q | 81.1 | Confident | 85.1 | Confident | 109 Ų | 109 | 51.5 Ų | 51.5 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -127.4 | -68.6 | -175.1 | -53.5 | 178 | 11.2 | 0 | 0 | 112.3 | P552 G553 | P552-Q612 CarbonylContact C-O 3.52Å; P552-Q612 VanDerWaalsContact CA-O 3.24Å; P552-Q612 WeakPolarHBondContact CA-O 3.43Å; G553-Q612 PolarHBondContact N-O 2.75Å |
| 613 | T | 81 | Confident | 85.1 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | -166.8 | 178.8 | -179 | 0 | 0 | 0 | 0 | 108.9 | F554 V623 | F554-T613 PolarHBondContact O-OG1 3.31Å; T613-V623 HydrophobicContact CG2-CB 3.85Å; T613-V623 HydrophobicContact CG2-CG1 4.1Å; T613-V623 HydrophobicContact CG2-CG2 4.48Å; T613-V623 PolarHBondContact O-N 3.17Å |
| 614 | C | 86.5 | Confident | 85 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 171.4 | -176.2 | 63.7 | 0 | 0 | 0 | 0 | 110.6 | Y555 C606 G616 Q621 | Y555-C614 VanDerWaalsContact CB-O 3.31Å; Y555-C614 WeakPolarHBondContact CB-O 3.46Å; Y555-C614 WeakPolarHBondContact CD1-SG 3.18Å; C606-C614 WeakPolarHBondContact CA-SG 3.37Å; C606-C614 HydrophobicContact CB-CB 3.71Å; C606-C614 WeakPolarHBondContact CB-SG 3.05Å; C606-C614 WeakPolarHBondContact SG-CB 3.25Å; C606-C614 PolarHBondContact SG-N 3.34Å; C606-C614 CovalentContact SG-SG 2.03Å; C606-C614 PolarHBondContact SG-SG 2.78Å; C614-G616 WeakPolarHBondContact CB-O 3.4Å; C614-G616 PolarHBondContact SG-O 3.39Å; C614-Q621 CarbonylContact C-O 3.59Å; C614-Q621 WeakPolarHBondContact CA-O 3.4Å; C614-Q621 WeakPolarHBondContact CB-O 3.33Å |
| 615 | Y | 85.7 | Confident | 84.9 | Confident | 148 Ų | 148 | 56.7 Ų | 56.7 | 58% | 0.58 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -116 | 14.3 | 169.6 | 55.9 | -92.3 | 0 | 0 | 0 | 112.7 | N620 Q621 V623 | Y615-N620 PolarHBondContact OH-O 3.32Å; Y615-Q621 VanDerWaalsContact CD1-O 3.29Å; Y615-Q621 WeakPolarHBondContact CD1-O 3.47Å; Y615-Q621 HydrophobicContact CD2-CB 4.04Å; Y615-Q621 HydrophobicContact CD2-CG 4.3Å; Y615-Q621 HydrophobicContact CE1-CB 4.42Å; Y615-Q621 WeakPolarHBondContact CE1-O 3.24Å; Y615-Q621 HydrophobicContact CE2-CB 3.77Å; Y615-Q621 HydrophobicContact CE2-CG 3.77Å; Y615-Q621 HydrophobicContact CG-CB 4.48Å; Y615-Q621 PolarHBondContact N-O 3.18Å; Y615-V623 HydrophobicContact CD1-CG2 3.83Å; Y615-V623 HydrophobicContact CE1-CG2 4.42Å |
| 616 | G | 82.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 178.3 | 172.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C614 N618 | C614-G616 WeakPolarHBondContact CB-O 3.4Å; C614-G616 PolarHBondContact SG-O 3.39Å; G616-N618 VanDerWaalsContact C-N 3.35Å; G616-N618 PolarHBondContact O-N 3.28Å |
| 617 | P | 82.6 | Confident | 85.1 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -79.5 | -13.8 | -167.8 | 32 | -35.7 | 0 | 0 | 0 | 114.1 | Y555 | Y555-P617 HydrophobicContact CE1-CB 4.43Å; Y555-P617 WeakPolarHBondContact OH-CD 3.25Å |
| 618 | N | 86.2 | Confident | 85.2 | Confident | 90 Ų | 90 | 56.4 Ų | 56.4 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -86.8 | 155.4 | -170.9 | -61 | -69.9 | 0 | 0 | 0 | 113.2 | G616 N620 Q621 | G616-N618 VanDerWaalsContact C-N 3.35Å; G616-N618 PolarHBondContact O-N 3.28Å; N618-N620 WeakPolarHBondContact CB-OD1 3.01Å; N618-N620 PolarHBondContact O-N 2.9Å; N618-Q621 HydrophobicContact CB-CG 4.18Å; N618-Q621 PolarHBondContact ND2-OE1 3.25Å; N618-Q621 PolarHBondContact O-N 3.33Å |
| 619 | A | 84.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 55.5 Ų | 55.5 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -14.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H607 T634 C635 | H607-A619 HydrophobicContact CB-CB 4.49Å; H607-A619 WeakPolarHBondContact ND1-CB 3.45Å; A619-T634 HydrophobicContact CB-CG2 3.55Å; A619-C635 PolarHBondContact O-N 3.44Å |
| 620 | N | 88.7 | Confident | 85.3 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 20.2 | 176.1 | 69 | -24.7 | 0 | 0 | 0 | 113.6 | Y615 N618 D633 | Y615-N620 PolarHBondContact OH-O 3.32Å; N618-N620 WeakPolarHBondContact CB-OD1 3.01Å; N618-N620 PolarHBondContact O-N 2.9Å; N620-D633 WeakPolarHBondContact CA-O 3.12Å; N620-D633 HydrophobicContact CB-CB 4.43Å; N620-D633 VanDerWaalsContact CB-O 3.23Å; N620-D633 WeakPolarHBondContact CB-O 3.37Å |
| 621 | Q | 88.5 | Confident | 85.3 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -122.5 | 16.3 | 177.7 | -60 | -177.6 | -77.4 | 0 | 0 | 112.7 | C614 Y615 N618 | C614-Q621 CarbonylContact C-O 3.59Å; C614-Q621 WeakPolarHBondContact CA-O 3.4Å; C614-Q621 WeakPolarHBondContact CB-O 3.33Å; Y615-Q621 VanDerWaalsContact CD1-O 3.29Å; Y615-Q621 WeakPolarHBondContact CD1-O 3.47Å; Y615-Q621 HydrophobicContact CD2-CB 4.04Å; Y615-Q621 HydrophobicContact CD2-CG 4.3Å; Y615-Q621 HydrophobicContact CE1-CB 4.42Å; Y615-Q621 WeakPolarHBondContact CE1-O 3.24Å; Y615-Q621 HydrophobicContact CE2-CB 3.77Å; Y615-Q621 HydrophobicContact CE2-CG 3.77Å; Y615-Q621 HydrophobicContact CG-CB 4.48Å; Y615-Q621 PolarHBondContact N-O 3.18Å; N618-Q621 HydrophobicContact CB-CG 4.18Å; N618-Q621 PolarHBondContact ND2-OE1 3.25Å; N618-Q621 PolarHBondContact O-N 3.33Å |
| 622 | C | 86.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 61 Ų | 61 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 153.2 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | C610 C635 | C610-C622 WeakPolarHBondContact CA-SG 3.11Å; C610-C622 HydrophobicContact CB-CB 3.62Å; C610-C622 WeakPolarHBondContact CB-SG 3.21Å; C610-C622 WeakPolarHBondContact SG-CA 3.4Å; C610-C622 WeakPolarHBondContact SG-CB 3.48Å; C610-C622 CovalentContact SG-SG 2.04Å; C610-C622 PolarHBondContact SG-SG 3.1Å; C622-C635 VanDerWaalsContact SG-SG 3.66Å |
| 623 | V | 82.1 | Confident | 85.7 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 37% | 0.37 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.5 | 171.6 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | T613 Y615 | T613-V623 HydrophobicContact CG2-CB 3.85Å; T613-V623 HydrophobicContact CG2-CG1 4.1Å; T613-V623 HydrophobicContact CG2-CG2 4.48Å; T613-V623 PolarHBondContact O-N 3.17Å; Y615-V623 HydrophobicContact CD1-CG2 3.83Å; Y615-V623 HydrophobicContact CE1-CG2 4.42Å |
| 624 | G | 81.6 | Confident | 86.1 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 87.9 | -167.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 625 | E | 84 | Confident | 86.2 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -67.1 | 154.9 | 177.8 | -62.8 | -178 | 174 | 0 | 0 | 112.2 | A611 R650 | A611-E625 WeakPolarHBondContact CB-O 3.03Å; A611-E625 PolarHBondContact N-O 2.83Å; E625-R650 IonicContact OE2-NH2 3.31Å |
| 626 | C | 87.7 | Confident | 86.4 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 7% | 0.068 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 143.7 | 165.9 | -62.6 | 0 | 0 | 0 | 0 | 110.8 | Y629 Q630 C635 | C626-Y629 WeakPolarHBondContact CB-O 3.5Å; C626-Q630 HydrophobicContact CB-CB 4.31Å; C626-Q630 VanDerWaalsContact SG-CB 3.59Å; C626-C635 WeakPolarHBondContact CA-SG 3.46Å; C626-C635 HydrophobicContact CB-CB 3.57Å; C626-C635 WeakPolarHBondContact CB-SG 3.19Å; C626-C635 WeakPolarHBondContact SG-CA 3.31Å; C626-C635 WeakPolarHBondContact SG-CB 3.39Å; C626-C635 CovalentContact SG-SG 2.03Å; C626-C635 PolarHBondContact SG-SG 2.69Å |
| 627 | K | 86.3 | Confident | 86.5 | Confident | 101 Ų | 101 | 62 Ų | 62 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -62.7 | -44.9 | -177.4 | -177.6 | -176.6 | 176.9 | -173.8 | 0 | 112.8 | P608 E609 A611 | P608-K627 WeakPolarHBondContact O-CD 3.39Å; P608-K627 PolarHBondContact O-NZ 2.87Å; E609-K627 VanDerWaalsContact O-CB 3.25Å; E609-K627 WeakPolarHBondContact O-CB 3.42Å; E609-K627 PolarHBondContact O-N 3.14Å; A611-K627 HydrophobicContact CB-CB 4.41Å |
| 628 | H | 88.8 | Confident | 86.6 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -111.2 | -76.3 | 176.2 | -52.6 | 110.9 | 0 | 0 | 0 | 110.9 | E609 R650 | E609-H628 VanDerWaalsContact CD-ND1 3.28Å; E609-H628 IonicContact OE1-CE1 3.34Å; E609-H628 PolarHBondContact OE1-CE1 3.15Å; E609-H628 IonicContact OE1-ND1 3.02Å; E609-H628 PolarHBondContact OE1-ND1 2.02Å; E609-H628 VanDerWaalsContact OE1-ND1 3.09Å; E609-H628 IonicContact OE2-CE1 2.81Å; E609-H628 IonicContact OE2-CG 2.7Å; E609-H628 IonicContact OE2-ND1 3.05Å; E609-H628 PolarHBondContact OE2-ND1 2.97Å; H628-R650 WeakPolarHBondContact O-CD 3.43Å |
| 629 | Y | 88.9 | Confident | 86.6 | Confident | 69 Ų | 69 | 62.6 Ų | 62.6 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 163 | -176.1 | -49.7 | -69.6 | 0 | 0 | 0 | 112.9 | C626 C635 L636 P637 I645 R650 | C626-Y629 WeakPolarHBondContact CB-O 3.5Å; Y629-C635 CarbonylContact O-C 3.34Å; Y629-C635 WeakPolarHBondContact O-CA 3.27Å; Y629-L636 PolarHBondContact N-O 3.15Å; Y629-L636 VanDerWaalsContact N-O 3.09Å; Y629-L636 PolarHBondContact O-N 3.34Å; Y629-P637 WeakPolarHBondContact CD2-O 3.45Å; Y629-P637 VanDerWaalsContact CE2-O 3.28Å; Y629-P637 WeakPolarHBondContact CE2-O 3.41Å; Y629-I645 HydrophobicContact CD1-CD1 4.21Å; Y629-I645 HydrophobicContact CD1-CG1 3.89Å; Y629-I645 HydrophobicContact CD1-CG2 3.85Å; Y629-I645 HydrophobicContact CE1-CB 4.35Å; Y629-I645 HydrophobicContact CE1-CD1 3.53Å; Y629-I645 HydrophobicContact CE1-CG1 3.7Å; Y629-I645 HydrophobicContact CE1-CG2 3.67Å; Y629-I645 HydrophobicContact CE2-CD1 4.25Å; Y629-R650 WeakPolarHBondContact CA-O 3.16Å; Y629-R650 HydrophobicContact CD1-CB 4.21Å |
| 630 | Q | 88.5 | Confident | 86.5 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.7 | 177.4 | -174.5 | 169.4 | -17.6 | 0 | 0 | 111.6 | C626 G632 R650 H651 C652 | C626-Q630 HydrophobicContact CB-CB 4.31Å; C626-Q630 VanDerWaalsContact SG-CB 3.59Å; Q630-G632 WeakPolarHBondContact CG-O 3.47Å; Q630-G632 PolarHBondContact NE2-O 3.04Å; Q630-R650 PolarHBondContact N-O 2.66Å; Q630-R650 VanDerWaalsContact N-O 3.14Å; Q630-H651 CarbonylContact O-C 3.5Å; Q630-H651 VanDerWaalsContact O-CA 3.32Å; Q630-H651 WeakPolarHBondContact O-CA 3.1Å; Q630-C652 PolarHBondContact O-N 2.93Å |
| 631 | H | 89.2 | Confident | 86 | Confident | 76 Ų | 76 | 65.8 Ų | 65.8 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 106.4 | 175 | -173.6 | 62.6 | 0 | 0 | 0 | 109.9 | D633 T634 L636 C652 | H631-D633 PolarHBondContact O-N 3.02Å; H631-T634 PolarHBondContact N-O 2.87Å; H631-T634 WeakPolarHBondContact O-CB 3.19Å; H631-T634 PolarHBondContact O-N 3.2Å; H631-L636 HydrophobicContact CB-CD1 3.69Å; H631-L636 HydrophobicContact CB-CG 4.46Å; H631-C652 HydrophobicContact CB-CB 3.96Å; H631-C652 PolarHBondContact ND1-O 2.81Å |
| 632 | G | 85.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 61% | 0.608 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -129.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q630 T634 | Q630-G632 WeakPolarHBondContact CG-O 3.47Å; Q630-G632 PolarHBondContact NE2-O 3.04Å; G632-T634 VanDerWaalsContact C-N 3.26Å; G632-T634 PolarHBondContact O-N 3.29Å |
| 633 | D | 85.1 | Confident | 85.7 | Confident | 136 Ų | 136 | 67.4 Ų | 67.4 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.8 | 175.7 | -54.3 | -42 | 0 | 0 | 0 | 113.3 | N620 H631 | N620-D633 WeakPolarHBondContact CA-O 3.12Å; N620-D633 HydrophobicContact CB-CB 4.43Å; N620-D633 VanDerWaalsContact CB-O 3.23Å; N620-D633 WeakPolarHBondContact CB-O 3.37Å; H631-D633 PolarHBondContact O-N 3.02Å |
| 634 | T | 88.6 | Confident | 85.8 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.3 | -168.2 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | A619 H631 G632 L636 | A619-T634 HydrophobicContact CB-CG2 3.55Å; H631-T634 PolarHBondContact N-O 2.87Å; H631-T634 WeakPolarHBondContact O-CB 3.19Å; H631-T634 PolarHBondContact O-N 3.2Å; G632-T634 VanDerWaalsContact C-N 3.26Å; G632-T634 PolarHBondContact O-N 3.29Å; T634-L636 HydrophobicContact CG2-CD2 4.01Å; T634-L636 HydrophobicContact CG2-CG 4.37Å |
| 635 | C | 90.1 | Very high | 86 | Confident | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.034 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.3 | 172.6 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | E609 A619 C622 C626 Y629 | E609-C635 HydrophobicContact CB-CB 3.57Å; A619-C635 PolarHBondContact O-N 3.44Å; C622-C635 VanDerWaalsContact SG-SG 3.66Å; C626-C635 WeakPolarHBondContact CA-SG 3.46Å; C626-C635 HydrophobicContact CB-CB 3.57Å; C626-C635 WeakPolarHBondContact CB-SG 3.19Å; C626-C635 WeakPolarHBondContact SG-CA 3.31Å; C626-C635 WeakPolarHBondContact SG-CB 3.39Å; C626-C635 CovalentContact SG-SG 2.03Å; C626-C635 PolarHBondContact SG-SG 2.69Å; Y629-C635 CarbonylContact O-C 3.34Å; Y629-C635 WeakPolarHBondContact O-CA 3.27Å |
| 636 | L | 89.1 | Confident | 86 | Confident | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.9 | -175.4 | -63.5 | 178.6 | 0 | 0 | 0 | 112.3 | E609 Y629 H631 T634 P640 | E609-L636 VanDerWaalsContact OE2-C 3.23Å; Y629-L636 PolarHBondContact N-O 3.15Å; Y629-L636 VanDerWaalsContact N-O 3.09Å; Y629-L636 PolarHBondContact O-N 3.34Å; H631-L636 HydrophobicContact CB-CD1 3.69Å; H631-L636 HydrophobicContact CB-CG 4.46Å; T634-L636 HydrophobicContact CG2-CD2 4.01Å; T634-L636 HydrophobicContact CG2-CG 4.37Å; L636-P640 HydrophobicContact CD1-CG 4.27Å |
| 637 | P | 85.2 | Confident | 85.4 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -72.1 | -29.4 | 178.9 | 29.5 | -35 | 0 | 0 | 0 | 113.2 | E609 Y629 | E609-P637 WeakPolarHBondContact OE2-CA 3.08Å; Y629-P637 WeakPolarHBondContact CD2-O 3.45Å; Y629-P637 VanDerWaalsContact CE2-O 3.28Å; Y629-P637 WeakPolarHBondContact CE2-O 3.41Å |
| 638 | E | 84.7 | Confident | 85.1 | Confident | 156 Ų | 156 | 71.1 Ų | 71.1 | 73% | 0.729 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -137.8 | 144.4 | 175.7 | -66.1 | -173.1 | 162 | 0 | 0 | 109.3 | ||
| 639 | C | 85.2 | Confident | 84.9 | Confident | 15 Ų | 15 | 71 Ų | 71 | 10% | 0.101 | 38% | 0.38 | C | S | . | . | trans | -72.8 | 140.8 | 175.1 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | T643 I645 C652 | C639-T643 WeakPolarHBondContact CB-OG1 3.24Å; C639-I645 HydrophobicContact CB-CG1 4.31Å; C639-I645 VanDerWaalsContact SG-CG1 3.55Å; C639-C652 WeakPolarHBondContact CA-SG 3.23Å; C639-C652 HydrophobicContact CB-CB 3.71Å; C639-C652 WeakPolarHBondContact CB-SG 3.41Å; C639-C652 VanDerWaalsContact SG-CA 3.53Å; C639-C652 WeakPolarHBondContact SG-CB 3.28Å; C639-C652 CovalentContact SG-SG 2.04Å; C639-C652 PolarHBondContact SG-SG 2.92Å | ||
| 640 | P | 83.2 | Confident | 84.7 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | trans | -51.7 | 144.3 | 175.1 | -28.3 | 35.4 | 0 | 0 | 0 | 113 | L636 N642 T643 | L636-P640 HydrophobicContact CD1-CG 4.27Å; P640-N642 WeakPolarHBondContact CB-OD1 2.94Å; P640-N642 PolarHBondContact O-N 3.24Å; P640-T643 HydrophobicContact CB-CG2 4.35Å; P640-T643 WeakPolarHBondContact CD-OG1 3.46Å; P640-T643 WeakPolarHBondContact O-CA 3.19Å; P640-T643 PolarHBondContact O-N 2.76Å; P640-T643 PolarHBondContact O-OG1 3.36Å | ||
| 641 | R | 78.6 | Confident | 84.7 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 45% | 0.445 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.4 | -171 | -62 | -174.7 | -169.6 | -176.5 | 1.4 | 114.9 | T643 G666 L670 | R641-T643 VanDerWaalsContact C-N 3.26Å; R641-T643 PolarHBondContact O-N 3.26Å; R641-G666 PolarHBondContact NH1-O 2.85Å; R641-G666 PolarHBondContact NH2-O 3.22Å; R641-G666 VanDerWaalsContact NH2-O 3.11Å; R641-L670 VanDerWaalsContact O-CB 3.3Å; R641-L670 WeakPolarHBondContact O-CB 3.4Å; R641-L670 PolarHBondContact O-N 3.19Å |
| 642 | N | 80.5 | Confident | 84.8 | Confident | 97 Ų | 97 | 70.9 Ų | 70.9 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 18.6 | 177.2 | 65.5 | -37.8 | 0 | 0 | 0 | 113.6 | P640 C655 L670 | P640-N642 WeakPolarHBondContact CB-OD1 2.94Å; P640-N642 PolarHBondContact O-N 3.24Å; N642-C655 WeakPolarHBondContact O-CB 3.32Å; N642-C655 PolarHBondContact O-N 2.88Å; N642-C655 PolarHBondContact O-SG 2.99Å; N642-L670 HydrophobicContact CB-CD1 4.19Å |
| 643 | T | 86.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 152.8 | 176.7 | 65.1 | 0 | 0 | 0 | 0 | 110.9 | C639 P640 R641 L653 Q669 | C639-T643 WeakPolarHBondContact CB-OG1 3.24Å; P640-T643 HydrophobicContact CB-CG2 4.35Å; P640-T643 WeakPolarHBondContact CD-OG1 3.46Å; P640-T643 WeakPolarHBondContact O-CA 3.19Å; P640-T643 PolarHBondContact O-N 2.76Å; P640-T643 PolarHBondContact O-OG1 3.36Å; R641-T643 VanDerWaalsContact C-N 3.26Å; R641-T643 PolarHBondContact O-N 3.26Å; T643-L653 CarbonylContact C-O 3.43Å; T643-L653 WeakPolarHBondContact CA-O 3.07Å; T643-L653 WeakPolarHBondContact CB-O 3.45Å; T643-Q669 WeakPolarHBondContact O-CG 3.14Å; T643-Q669 PolarHBondContact O-NE2 2.87Å |
| 644 | Y | 85.2 | Confident | 85.1 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 161.8 | 169.6 | 68 | -86 | 0 | 0 | 0 | 110.6 | C652 L653 P654 P674 | Y644-C652 CarbonylContact O-C 3.48Å; Y644-C652 WeakPolarHBondContact O-CA 3.49Å; Y644-L653 HydrophobicContact CD1-CB 4.34Å; Y644-L653 VanDerWaalsContact CD1-O 3.29Å; Y644-L653 WeakPolarHBondContact CD1-O 3.46Å; Y644-L653 HydrophobicContact CE1-CB 3.76Å; Y644-L653 HydrophobicContact CE2-CB 4.01Å; Y644-L653 HydrophobicContact CE2-CD1 4.06Å; Y644-L653 PolarHBondContact N-O 3.49Å; Y644-L653 PolarHBondContact O-N 2.87Å; Y644-L653 WeakPolarHBondContact OH-CD1 3.47Å; Y644-P654 WeakPolarHBondContact CE1-O 3.23Å; Y644-P674 HydrophobicContact CE1-CB 3.94Å |
| 645 | I | 84.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 29% | 0.292 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.5 | 177.8 | -61.4 | 153.5 | 0 | 0 | 0 | 109.3 | Y629 C639 P647 | Y629-I645 HydrophobicContact CD1-CD1 4.21Å; Y629-I645 HydrophobicContact CD1-CG1 3.89Å; Y629-I645 HydrophobicContact CD1-CG2 3.85Å; Y629-I645 HydrophobicContact CE1-CB 4.35Å; Y629-I645 HydrophobicContact CE1-CD1 3.53Å; Y629-I645 HydrophobicContact CE1-CG1 3.7Å; Y629-I645 HydrophobicContact CE1-CG2 3.67Å; Y629-I645 HydrophobicContact CE2-CD1 4.25Å; C639-I645 HydrophobicContact CB-CG1 4.31Å; C639-I645 VanDerWaalsContact SG-CG1 3.55Å; I645-P647 WeakPolarHBondContact O-CD 3.36Å |
| 646 | D | 85.1 | Confident | 84.7 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 17% | 0.171 | 36% | 0.363 | C | S | . | . | trans | -72.9 | 117.2 | 161.6 | 173.3 | 11.8 | 0 | 0 | 0 | 109.8 | Q648 T649 R650 H651 L653 | D646-Q648 PolarHBondContact O-N 3.49Å; D646-Q648 PolarHBondContact OD1-N 3.28Å; D646-T649 WeakPolarHBondContact CB-OG1 3.38Å; D646-T649 VanDerWaalsContact CG-OG1 3.29Å; D646-T649 WeakPolarHBondContact OD2-CB 3.36Å; D646-T649 VanDerWaalsContact OD2-CG2 3.28Å; D646-T649 WeakPolarHBondContact OD2-CG2 3.49Å; D646-T649 PolarHBondContact OD2-N 2.93Å; D646-T649 PolarHBondContact OD2-OG1 2.74Å; D646-R650 WeakPolarHBondContact O-CA 3.2Å; D646-R650 PolarHBondContact O-N 3.09Å; D646-H651 PolarHBondContact N-O 3.1Å; D646-L653 HydrophobicContact CB-CD1 3.9Å; D646-L653 HydrophobicContact CB-CG 4.35Å | ||
| 647 | P | 75.6 | Confident | 84.4 | Confident | 121 Ų | 121 | 75.7 Ų | 75.7 | 79% | 0.786 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.3 | -179.5 | 30.4 | -37 | 0 | 0 | 0 | 114.4 | I645 | I645-P647 WeakPolarHBondContact O-CD 3.36Š|
| 648 | Q | 79.7 | Confident | 84.1 | Confident | 180 Ų | 180 | 73.5 Ų | 73.5 | 84% | 0.841 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -48.9 | 175.6 | -61.5 | -169.3 | 6.1 | 0 | 0 | 112.4 | D646 | D646-Q648 PolarHBondContact O-N 3.49Å; D646-Q648 PolarHBondContact OD1-N 3.28Å |
| 649 | T | 83.9 | Confident | 83.8 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -14.3 | -176.5 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | D646 H651 | D646-T649 WeakPolarHBondContact CB-OG1 3.38Å; D646-T649 VanDerWaalsContact CG-OG1 3.29Å; D646-T649 WeakPolarHBondContact OD2-CB 3.36Å; D646-T649 VanDerWaalsContact OD2-CG2 3.28Å; D646-T649 WeakPolarHBondContact OD2-CG2 3.49Å; D646-T649 PolarHBondContact OD2-N 2.93Å; D646-T649 PolarHBondContact OD2-OG1 2.74Å; T649-H651 PolarHBondContact O-CD2 2.57Å; T649-H651 VanDerWaalsContact O-CD2 3.28Å; T649-H651 PolarHBondContact O-N 3.22Å; T649-H651 WeakPolarHBondContact OG1-CB 3.05Å; T649-H651 VanDerWaalsContact OG1-CG 3.28Å; T649-H651 PolarHBondContact OG1-N 3.21Å |
| 650 | R | 84.3 | Confident | 82.8 | Confident | 120 Ų | 120 | 69.2 Ų | 69.2 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | trans | 59.1 | 18.6 | -166 | -47.1 | -172 | -159.2 | 151.6 | 17.4 | 114.3 | E625 H628 Y629 Q630 D646 | E625-R650 IonicContact OE2-NH2 3.31Å; H628-R650 WeakPolarHBondContact O-CD 3.43Å; Y629-R650 WeakPolarHBondContact CA-O 3.16Å; Y629-R650 HydrophobicContact CD1-CB 4.21Å; Q630-R650 PolarHBondContact N-O 2.66Å; Q630-R650 VanDerWaalsContact N-O 3.14Å; D646-R650 WeakPolarHBondContact O-CA 3.2Å; D646-R650 PolarHBondContact O-N 3.09Å | ||
| 651 | H | 89.6 | Confident | 81.6 | Confident | 74 Ų | 74 | 72 Ų | 72 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -76.9 | 145.1 | 174.2 | -65 | -174.7 | 0 | 0 | 0 | 111.5 | Q630 D646 T649 L653 | Q630-H651 CarbonylContact O-C 3.5Å; Q630-H651 VanDerWaalsContact O-CA 3.32Å; Q630-H651 WeakPolarHBondContact O-CA 3.1Å; D646-H651 PolarHBondContact N-O 3.1Å; T649-H651 PolarHBondContact O-CD2 2.57Å; T649-H651 VanDerWaalsContact O-CD2 3.28Å; T649-H651 PolarHBondContact O-N 3.22Å; T649-H651 WeakPolarHBondContact OG1-CB 3.05Å; T649-H651 VanDerWaalsContact OG1-CG 3.28Å; T649-H651 PolarHBondContact OG1-N 3.21Å; H651-L653 HydrophobicContact CB-CD2 4.34Å; H651-L653 PolarHBondContact O-N 3.46Å |
| 652 | C | 89.8 | Confident | 80.5 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 5% | 0.054 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 98.7 | 174.3 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | Q630 H631 C639 Y644 | Q630-C652 PolarHBondContact O-N 2.93Å; H631-C652 HydrophobicContact CB-CB 3.96Å; H631-C652 PolarHBondContact ND1-O 2.81Å; C639-C652 WeakPolarHBondContact CA-SG 3.23Å; C639-C652 HydrophobicContact CB-CB 3.71Å; C639-C652 WeakPolarHBondContact CB-SG 3.41Å; C639-C652 VanDerWaalsContact SG-CA 3.53Å; C639-C652 WeakPolarHBondContact SG-CB 3.28Å; C639-C652 CovalentContact SG-SG 2.04Å; C639-C652 PolarHBondContact SG-SG 2.92Å; Y644-C652 CarbonylContact O-C 3.48Å; Y644-C652 WeakPolarHBondContact O-CA 3.49Å |
| 653 | L | 89.2 | Confident | 79 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.8 | -176.5 | -61.4 | -177.6 | 0 | 0 | 0 | 111.7 | T643 Y644 D646 H651 | T643-L653 CarbonylContact C-O 3.43Å; T643-L653 WeakPolarHBondContact CA-O 3.07Å; T643-L653 WeakPolarHBondContact CB-O 3.45Å; Y644-L653 HydrophobicContact CD1-CB 4.34Å; Y644-L653 VanDerWaalsContact CD1-O 3.29Å; Y644-L653 WeakPolarHBondContact CD1-O 3.46Å; Y644-L653 HydrophobicContact CE1-CB 3.76Å; Y644-L653 HydrophobicContact CE2-CB 4.01Å; Y644-L653 HydrophobicContact CE2-CD1 4.06Å; Y644-L653 PolarHBondContact N-O 3.49Å; Y644-L653 PolarHBondContact O-N 2.87Å; Y644-L653 WeakPolarHBondContact OH-CD1 3.47Å; D646-L653 HydrophobicContact CB-CD1 3.9Å; D646-L653 HydrophobicContact CB-CG 4.35Å; H651-L653 HydrophobicContact CB-CD2 4.34Å; H651-L653 PolarHBondContact O-N 3.46Å |
| 654 | P | 87.4 | Confident | 77.2 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.2 | -173.9 | 26 | -34.9 | 0 | 0 | 0 | 113.7 | Y644 | Y644-P654 WeakPolarHBondContact CE1-O 3.23Å |
| 655 | C | 86.1 | Confident | 75.3 | Confident | 21 Ų | 21 | 82.7 Ų | 82.7 | 14% | 0.142 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -63 | 158.2 | 168.6 | -68 | 0 | 0 | 0 | 0 | 111.6 | N642 C671 | N642-C655 WeakPolarHBondContact O-CB 3.32Å; N642-C655 PolarHBondContact O-N 2.88Å; N642-C655 PolarHBondContact O-SG 2.99Å; C655-C671 WeakPolarHBondContact CA-SG 3.42Å; C655-C671 HydrophobicContact CB-CB 3.81Å; C655-C671 WeakPolarHBondContact CB-SG 3.42Å; C655-C671 WeakPolarHBondContact SG-CB 3.08Å; C655-C671 CovalentContact SG-SG 2.03Å; C655-C671 PolarHBondContact SG-SG 3.39Å |
| 656 | N | 86.3 | Confident | 73.7 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 28% | 0.283 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 141.4 | 170.4 | -168.1 | -87.3 | 0 | 0 | 0 | 111 | S658 C659 N676 | N656-S658 PolarHBondContact O-N 3.34Å; N656-S658 VanDerWaalsContact OD1-CB 3.25Å; N656-S658 WeakPolarHBondContact OD1-CB 3.12Å; N656-S658 PolarHBondContact OD1-N 3.08Å; N656-S658 PolarHBondContact OD1-OG 2.67Å; N656-C659 WeakPolarHBondContact O-CB 3.24Å; N656-C659 PolarHBondContact O-N 3.19Å; N656-C659 PolarHBondContact O-SG 2.9Å; N656-C659 VanDerWaalsContact O-SG 3.42Å; N656-N676 HydrophobicContact CB-CB 4.34Å; N656-N676 WeakPolarHBondContact OD1-CB 3.48Å |
| 657 | E | 82.3 | Confident | 72.3 | Confident | 164 Ų | 164 | 88.4 Ų | 88.4 | 77% | 0.766 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -55.5 | -27.8 | 179.7 | -62.4 | -179.9 | 157.7 | 0 | 0 | 112.9 | C659 S660 | E657-C659 PolarHBondContact O-N 3.17Å; E657-C659 VanDerWaalsContact O-N 3.1Å; E657-S660 VanDerWaalsContact O-CB 3.29Å; E657-S660 WeakPolarHBondContact O-CB 3.49Å; E657-S660 PolarHBondContact O-N 3.3Å; E657-S660 PolarHBondContact O-OG 2.99Å |
| 658 | S | 78.9 | Confident | 71.5 | Confident | 23 Ų | 23 | 86.2 Ų | 86.2 | 16% | 0.161 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -62.4 | -14.8 | 175.7 | -45.6 | 0 | 0 | 0 | 0 | 114.2 | N656 | N656-S658 PolarHBondContact O-N 3.34Å; N656-S658 VanDerWaalsContact OD1-CB 3.25Å; N656-S658 WeakPolarHBondContact OD1-CB 3.12Å; N656-S658 PolarHBondContact OD1-N 3.08Å; N656-S658 PolarHBondContact OD1-OG 2.67Å |
| 659 | C | 78.8 | Confident | 71 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.034 | 44% | 0.439 | C | S | . | . | G | 310 helix | trans | -89.8 | 0.1 | 178.8 | -45.8 | 0 | 0 | 0 | 0 | 113.7 | N656 E657 H661 C683 | N656-C659 WeakPolarHBondContact O-CB 3.24Å; N656-C659 PolarHBondContact O-N 3.19Å; N656-C659 PolarHBondContact O-SG 2.9Å; N656-C659 VanDerWaalsContact O-SG 3.42Å; E657-C659 PolarHBondContact O-N 3.17Å; E657-C659 VanDerWaalsContact O-N 3.1Å; C659-H661 PolarHBondContact O-N 3.07Å; C659-C683 WeakPolarHBondContact CA-SG 3.43Å; C659-C683 HydrophobicContact CB-CB 3.76Å; C659-C683 WeakPolarHBondContact CB-SG 3.28Å; C659-C683 VanDerWaalsContact SG-CA 3.54Å; C659-C683 WeakPolarHBondContact SG-CB 3.24Å; C659-C683 CovalentContact SG-SG 2.04Å; C659-C683 PolarHBondContact SG-SG 3.3Å |
| 660 | S | 62.7 | Low | 70.7 | Confident | 76 Ų | 76 | 79.8 Ų | 79.8 | 53% | 0.531 | 43% | 0.429 | S | S | . | . | trans | -80.1 | -1.9 | -158.6 | -53.4 | 0 | 0 | 0 | 0 | 117.2 | E657 | E657-S660 VanDerWaalsContact O-CB 3.29Å; E657-S660 WeakPolarHBondContact O-CB 3.49Å; E657-S660 PolarHBondContact O-N 3.3Å; E657-S660 PolarHBondContact O-OG 2.99Å | ||
| 661 | H | 59 | Low | 70.8 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 46% | 0.463 | 41% | 0.408 | S | S | . | . | trans | -116.4 | 100.8 | -165.6 | -62.5 | -97.6 | 0 | 0 | 0 | 113.6 | C659 W687 | C659-H661 PolarHBondContact O-N 3.07Å; H661-W687 HydrophobicContact CB-CE3 4.46Å | ||
| 662 | I | 55.6 | Low | 70.4 | Confident | 57 Ų | 57 | 72.3 Ų | 72.3 | 29% | 0.292 | 40% | 0.403 | S | S | . | . | trans | -179.7 | 137.7 | 143.3 | -96.6 | 152.8 | 0 | 0 | 0 | 109.8 | T664 W687 | I662-T664 HydrophobicContact CG2-CG2 3.51Å; I662-T664 PolarHBondContact O-N 2.89Å; I662-T664 VanDerWaalsContact O-N 3.12Å; I662-W687 HydrophobicContact CD1-CB 4.38Å; I662-W687 HydrophobicContact CD1-CD2 3.81Å; I662-W687 HydrophobicContact CD1-CE3 4.03Å; I662-W687 HydrophobicContact CD1-CG 4.02Å; I662-W687 HydrophobicContact CD1-CZ3 4.5Å; I662-W687 HydrophobicContact CG1-CD2 3.82Å; I662-W687 HydrophobicContact CG1-CE3 3.54Å; I662-W687 HydrophobicContact CG1-CH2 3.92Å; I662-W687 HydrophobicContact CG1-CZ2 4.18Å; I662-W687 HydrophobicContact CG1-CZ3 3.6Å | ||
| 663 | L | 48.9 | Very low | 70.2 | Confident | 182 Ų | 182 | 72 Ų | 72 | 95% | 0.953 | 40% | 0.402 | S | S | * | . | trans | -78.3 | 85.7 | 165.6 | -72.2 | 101 | 0 | 0 | 0 | 110.4 | ||||
| 664 | T | 48.7 | Very low | 70.1 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | trans | -100 | 124.9 | 169 | 29.5 | 0 | 0 | 0 | 0 | 111.8 | I662 G666 | I662-T664 HydrophobicContact CG2-CG2 3.51Å; I662-T664 PolarHBondContact O-N 2.89Å; I662-T664 VanDerWaalsContact O-N 3.12Å; T664-G666 PolarHBondContact O-N 2.74Å | ||
| 665 | T | 45.9 | Very low | 70 | Confident | 157 Ų | 157 | 69 Ų | 69 | 96% | 0.963 | 39% | 0.388 | S | S | * | . | trans | -74.2 | 8.5 | 175.1 | 42.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 666 | G | 50.6 | Low | 70.1 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 37% | 0.371 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -90.1 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R641 T664 | R641-G666 PolarHBondContact NH1-O 2.85Å; R641-G666 PolarHBondContact NH2-O 3.22Å; R641-G666 VanDerWaalsContact NH2-O 3.11Å; T664-G666 PolarHBondContact O-N 2.74Å |
| 667 | Q | 54.7 | Low | 70.2 | Confident | 174 Ų | 174 | 69.7 Ų | 69.7 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | trans | -89 | -1.5 | -174 | -71.7 | 175.6 | -79.3 | 0 | 0 | 115.4 | ||||
| 668 | N | 58.6 | Low | 70.4 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | trans | -72.5 | 156 | -163.6 | -57.1 | 11.1 | 0 | 0 | 0 | 114.8 | V733 | N668-V733 WeakPolarHBondContact ND2-CG2 3.35Š| ||
| 669 | Q | 69.7 | Low | 70.5 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | trans | -76.7 | 143.7 | 176.7 | -156.2 | 166.6 | 14.1 | 0 | 0 | 111.4 | T643 | T643-Q669 WeakPolarHBondContact O-CG 3.14Å; T643-Q669 PolarHBondContact O-NE2 2.87Å | ||
| 670 | L | 77.5 | Confident | 70.7 | Confident | 42 Ų | 42 | 66 Ų | 66 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -81.7 | -27.5 | -173.4 | -71 | 162.8 | 0 | 0 | 0 | 113.5 | R641 N642 E684 | R641-L670 VanDerWaalsContact O-CB 3.3Å; R641-L670 WeakPolarHBondContact O-CB 3.4Å; R641-L670 PolarHBondContact O-N 3.19Å; N642-L670 HydrophobicContact CB-CD1 4.19Å; L670-E684 PolarHBondContact O-N 3.43Å |
| 671 | C | 85.8 | Confident | 71.7 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -144.4 | 155.3 | 179.1 | 73.4 | 0 | 0 | 0 | 0 | 112 | C655 G682 | C655-C671 WeakPolarHBondContact CA-SG 3.42Å; C655-C671 HydrophobicContact CB-CB 3.81Å; C655-C671 WeakPolarHBondContact CB-SG 3.42Å; C655-C671 WeakPolarHBondContact SG-CB 3.08Å; C655-C671 CovalentContact SG-SG 2.03Å; C655-C671 PolarHBondContact SG-SG 3.39Å; C671-G682 CarbonylContact C-O 3.49Å; C671-G682 WeakPolarHBondContact CA-O 3.38Å; C671-G682 WeakPolarHBondContact CB-O 3.34Å |
| 672 | S | 82.9 | Confident | 73 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -109.9 | 11.4 | 172.6 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | L680 G681 G682 E684 | S672-L680 WeakPolarHBondContact OG-CA 3.41Å; S672-G681 PolarHBondContact OG-N 2.86Å; S672-G682 PolarHBondContact N-O 2.78Å; S672-G682 PolarHBondContact OG-O 2.81Å; S672-E684 WeakPolarHBondContact CB-OE2 2.93Å; S672-E684 PolarHBondContact OG-OE2 2.03Å |
| 673 | G | 84 | Confident | 74.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 175.3 | -177.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | G675 G681 | G673-G675 PolarHBondContact O-N 3.2Å; G673-G681 CarbonylContact C-O 3.5Å; G673-G681 WeakPolarHBondContact CA-O 3.46Å |
| 674 | P | 87.4 | Confident | 75.8 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -75 | -3.9 | -176.5 | 29.5 | -33.6 | 0 | 0 | 0 | 114.5 | Y644 | Y644-P674 HydrophobicContact CE1-CB 3.94Š|
| 675 | G | 85.8 | Confident | 77.1 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | trans | -67 | 139.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G673 F677 G681 G682 | G673-G675 PolarHBondContact O-N 3.2Å; G675-F677 VanDerWaalsContact CA-CE1 3.44Å; G675-F677 PolarHBondContact O-N 3.2Å; G675-G681 WeakPolarHBondContact CA-O 3.46Å; G675-G681 PolarHBondContact N-O 2.98Å; G675-G682 WeakPolarHBondContact O-CA 3.01Å | ||
| 676 | N | 88.1 | Confident | 78.7 | Confident | 55 Ų | 55 | 39.7 Ų | 39.7 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -87.8 | 32 | 170.9 | 66.4 | -14.8 | 0 | 0 | 0 | 112.5 | N656 Q699 C700 | N656-N676 HydrophobicContact CB-CB 4.34Å; N656-N676 WeakPolarHBondContact OD1-CB 3.48Å; N676-Q699 PolarHBondContact ND2-NE2 3.18Å; N676-Q699 VanDerWaalsContact ND2-NE2 3.19Å; N676-Q699 CarbonylContact O-C 3.44Å; N676-Q699 WeakPolarHBondContact O-CA 3.43Å; N676-Q699 WeakPolarHBondContact O-CG 3.18Å; N676-C700 PolarHBondContact O-N 3.08Å |
| 677 | F | 88.9 | Confident | 80 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -129.5 | 154.7 | -175.8 | 54.7 | -101.9 | 0 | 0 | 0 | 111.1 | G675 G681 G682 C683 K697 Y698 | G675-F677 VanDerWaalsContact CA-CE1 3.44Å; G675-F677 PolarHBondContact O-N 3.2Å; F677-G681 WeakPolarHBondContact CZ-O 3.41Å; F677-G682 CarbonylContact O-C 3.5Å; F677-G682 WeakPolarHBondContact O-CA 3Å; F677-C683 PolarHBondContact O-N 3Å; F677-K697 HydrophobicContact CB-CB 4.09Å; F677-K697 HydrophobicContact CB-CD 4.34Å; F677-K697 HydrophobicContact CD1-CD 3.72Å; F677-K697 HydrophobicContact CD2-CD 3.82Å; F677-K697 HydrophobicContact CE1-CD 3.96Å; F677-K697 VanDerWaalsContact CE1-NZ 3.33Å; F677-K697 HydrophobicContact CE2-CD 4.07Å; F677-K697 VanDerWaalsContact CE2-NZ 3.32Å; F677-K697 HydrophobicContact CG-CB 4.32Å; F677-K697 HydrophobicContact CG-CD 3.67Å; F677-K697 HydrophobicContact CZ-CD 4.17Å; F677-Y698 CarbonylContact C-O 3.55Å; F677-Y698 VanDerWaalsContact CA-O 3.24Å; F677-Y698 WeakPolarHBondContact CA-O 3.47Å; F677-Y698 WeakPolarHBondContact CB-O 3.15Å |
| 678 | L | 86.6 | Confident | 81.4 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -73.2 | 127.7 | 179.9 | -176.2 | 63.5 | 0 | 0 | 0 | 111 | C683 C686 V689 Y698 C700 F719 I725 I742 | L678-C683 WeakPolarHBondContact CA-O 3.5Å; L678-C686 HydrophobicContact CD1-CB 4.24Å; L678-V689 HydrophobicContact CB-CG1 4.36Å; L678-V689 HydrophobicContact CD2-CG1 4.44Å; L678-Y698 PolarHBondContact N-O 3.21Å; L678-C700 PolarHBondContact N-SG 2.88Å; L678-C700 VanDerWaalsContact N-SG 3.35Å; L678-F719 HydrophobicContact CD2-CD1 4.34Å; L678-F719 HydrophobicContact CD2-CE1 4.25Å; L678-I725 HydrophobicContact CD2-CD1 3.73Å; L678-I725 HydrophobicContact CG-CD1 4.16Å; L678-I725 HydrophobicContact CG-CG2 4.35Å; L678-I725 WeakPolarHBondContact O-CG2 3.28Å; L678-I742 HydrophobicContact CD2-CD1 3.47Å; L678-I742 VanDerWaalsContact CD2-CD1 3.47Å |
| 679 | G | 80.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 101 | -175.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G681 G682 C683 I726 | G679-G681 PolarHBondContact O-N 3.42Å; G679-G682 CarbonylContact O-C 3.48Å; G679-G682 WeakPolarHBondContact O-CA 3.32Å; G679-G682 PolarHBondContact O-N 2.7Å; G679-C683 PolarHBondContact N-O 3.25Å; G679-I726 CarbonylContact C-O 3.5Å; G679-I726 WeakPolarHBondContact CA-O 3Å |
| 680 | L | 83.2 | Confident | 83.8 | Confident | 103 Ų | 103 | 30.2 Ų | 30.2 | 54% | 0.539 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 121.7 | -163.7 | -167.8 | 70.6 | 0 | 0 | 0 | 113.7 | S672 I726 | S672-L680 WeakPolarHBondContact OG-CA 3.41Å; L680-I726 HydrophobicContact CB-CB 4.36Å; L680-I726 HydrophobicContact CB-CG2 4.18Å; L680-I726 HydrophobicContact CD2-CG2 4.12Å; L680-I726 PolarHBondContact N-O 3.18Å |
| 681 | G | 83.1 | Confident | 84.2 | Confident | 24 Ų | 24 | 32 Ų | 32 | 25% | 0.247 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | 5.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S672 G673 G675 F677 G679 | S672-G681 PolarHBondContact OG-N 2.86Å; G673-G681 CarbonylContact C-O 3.5Å; G673-G681 WeakPolarHBondContact CA-O 3.46Å; G675-G681 WeakPolarHBondContact CA-O 3.46Å; G675-G681 PolarHBondContact N-O 2.98Å; F677-G681 WeakPolarHBondContact CZ-O 3.41Å; G679-G681 PolarHBondContact O-N 3.42Å |
| 682 | G | 86.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -143.4 | -144.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C671 S672 G675 F677 G679 | C671-G682 CarbonylContact C-O 3.49Å; C671-G682 WeakPolarHBondContact CA-O 3.38Å; C671-G682 WeakPolarHBondContact CB-O 3.34Å; S672-G682 PolarHBondContact N-O 2.78Å; S672-G682 PolarHBondContact OG-O 2.81Å; G675-G682 WeakPolarHBondContact O-CA 3.01Å; F677-G682 CarbonylContact O-C 3.5Å; F677-G682 WeakPolarHBondContact O-CA 3Å; G679-G682 CarbonylContact O-C 3.48Å; G679-G682 WeakPolarHBondContact O-CA 3.32Å; G679-G682 PolarHBondContact O-N 2.7Å |
| 683 | C | 85.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -74.5 | 139 | -178.6 | -49.3 | 0 | 0 | 0 | 0 | 112.1 | C659 F677 L678 G679 C686 | C659-C683 WeakPolarHBondContact CA-SG 3.43Å; C659-C683 HydrophobicContact CB-CB 3.76Å; C659-C683 WeakPolarHBondContact CB-SG 3.28Å; C659-C683 VanDerWaalsContact SG-CA 3.54Å; C659-C683 WeakPolarHBondContact SG-CB 3.24Å; C659-C683 CovalentContact SG-SG 2.04Å; C659-C683 PolarHBondContact SG-SG 3.3Å; F677-C683 PolarHBondContact O-N 3Å; L678-C683 WeakPolarHBondContact CA-O 3.5Å; G679-C683 PolarHBondContact N-O 3.25Å; C683-C686 WeakPolarHBondContact CB-SG 2.97Å |
| 684 | E | 78.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -83.8 | -21.9 | 179.3 | -62.4 | -61.9 | -81.8 | 0 | 0 | 113.1 | L670 S672 V727 S728 | L670-E684 PolarHBondContact O-N 3.43Å; S672-E684 WeakPolarHBondContact CB-OE2 2.93Å; S672-E684 PolarHBondContact OG-OE2 2.03Å; E684-V727 HydrophobicContact CB-CG1 4.41Å; E684-V727 WeakPolarHBondContact OE1-CG1 3.33Å; E684-S728 WeakPolarHBondContact OE1-CA 3.26Å; E684-S728 WeakPolarHBondContact OE1-CB 3.06Å; E684-S728 PolarHBondContact OE1-N 3.12Å; E684-S728 PolarHBondContact OE1-OG 3.5Å |
| 685 | T | 75.5 | Confident | 83.2 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | trans | -142.4 | 143.9 | 171.4 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 686 | C | 78.6 | Confident | 82.9 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | trans | -143.2 | 135.8 | 177 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | L678 C683 V689 C700 I742 | L678-C686 HydrophobicContact CD1-CB 4.24Å; C683-C686 WeakPolarHBondContact CB-SG 2.97Å; C686-V689 HydrophobicContact CB-CG1 3.65Å; C686-C700 HydrophobicContact CB-CB 3.69Å; C686-C700 WeakPolarHBondContact CB-SG 3.37Å; C686-C700 WeakPolarHBondContact SG-CB 3.43Å; C686-C700 CovalentContact SG-SG 2.02Å; C686-C700 PolarHBondContact SG-SG 3.01Å; C686-I742 WeakPolarHBondContact O-CG1 3.46Å | ||
| 687 | W | 78.8 | Confident | 82.7 | Confident | 125 Ų | 125 | 54.2 Ų | 54.2 | 47% | 0.473 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -78.4 | -40.5 | -179 | -139.5 | -19.9 | 0 | 0 | 0 | 112.1 | H661 I662 R743 | H661-W687 HydrophobicContact CB-CE3 4.46Å; I662-W687 HydrophobicContact CD1-CB 4.38Å; I662-W687 HydrophobicContact CD1-CD2 3.81Å; I662-W687 HydrophobicContact CD1-CE3 4.03Å; I662-W687 HydrophobicContact CD1-CG 4.02Å; I662-W687 HydrophobicContact CD1-CZ3 4.5Å; I662-W687 HydrophobicContact CG1-CD2 3.82Å; I662-W687 HydrophobicContact CG1-CE3 3.54Å; I662-W687 HydrophobicContact CG1-CH2 3.92Å; I662-W687 HydrophobicContact CG1-CZ2 4.18Å; I662-W687 HydrophobicContact CG1-CZ3 3.6Å; W687-R743 VanDerWaalsContact O-CB 3.27Å; W687-R743 WeakPolarHBondContact O-CB 3.31Å; W687-R743 PolarHBondContact O-N 3.5Å |
| 688 | T | 84.8 | Confident | 82.7 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.6 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 109.5 | L701 D703 R743 C745 | T688-L701 HydrophobicContact CG2-CB 4.11Å; T688-L701 HydrophobicContact CG2-CD1 4.12Å; T688-L701 PolarHBondContact O-N 2.87Å; T688-D703 WeakPolarHBondContact CB-O 3.26Å; T688-D703 PolarHBondContact OG1-O 2.97Å; T688-R743 CarbonylContact C-O 3.44Å; T688-R743 VanDerWaalsContact CA-O 3.28Å; T688-R743 WeakPolarHBondContact CA-O 3.46Å; T688-R743 PolarHBondContact OG1-NH2 2.93Å; T688-C745 WeakPolarHBondContact CG2-SG 3.16Å |
| 689 | V | 88 | Confident | 82.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 144.2 | 178.2 | -65 | 0 | 0 | 0 | 0 | 113.2 | L678 C686 Y698 Q699 F719 I742 R743 V744 C745 | L678-V689 HydrophobicContact CB-CG1 4.36Å; L678-V689 HydrophobicContact CD2-CG1 4.44Å; C686-V689 HydrophobicContact CB-CG1 3.65Å; V689-Y698 HydrophobicContact CG2-CD1 4.2Å; V689-Q699 CarbonylContact C-O 3.58Å; V689-Q699 VanDerWaalsContact CA-O 3.22Å; V689-Q699 WeakPolarHBondContact CA-O 3.18Å; V689-F719 HydrophobicContact CG2-CE1 4.29Å; V689-F719 HydrophobicContact CG2-CZ 4.37Å; V689-I742 HydrophobicContact CG1-CD1 3.93Å; V689-I742 HydrophobicContact CG2-CD1 3.82Å; V689-I742 HydrophobicContact CG2-CG1 4.06Å; V689-R743 PolarHBondContact N-O 3.41Å; V689-V744 HydrophobicContact CG2-CB 4.43Å; V689-V744 HydrophobicContact CG2-CG1 4.49Å; V689-V744 HydrophobicContact CG2-CG2 4Å; V689-C745 WeakPolarHBondContact O-CB 3.31Å; V689-C745 PolarHBondContact O-N 3.31Å |
| 690 | I | 88.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143 | 172.1 | -170.2 | 166.3 | 0 | 0 | 0 | 110.1 | D692 Y698 Q699 L701 P706 C745 | I690-D692 PolarHBondContact O-N 2.97Å; I690-Y698 CarbonylContact O-C 3.53Å; I690-Y698 WeakPolarHBondContact O-CA 3.5Å; I690-Q699 HydrophobicContact CG2-CB 4.06Å; I690-Q699 PolarHBondContact N-O 2.82Å; I690-Q699 PolarHBondContact O-N 2.84Å; I690-L701 HydrophobicContact CB-CD1 4.02Å; I690-L701 HydrophobicContact CG2-CD1 3.96Å; I690-L701 HydrophobicContact CG2-CD2 4.03Å; I690-L701 HydrophobicContact CG2-CG 4.02Å; I690-P706 HydrophobicContact CD1-CG 3.89Å; I690-C745 HydrophobicContact CB-CB 4.02Å; I690-C745 HydrophobicContact CD1-CB 4.47Å; I690-C745 HydrophobicContact CG1-CB 4.16Å |
| 691 | Q | 87.1 | Confident | 83.3 | Confident | 80 Ų | 80 | 53 Ų | 53 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.9 | -179.4 | -166.9 | 172.6 | 6.6 | 0 | 0 | 110.9 | K693 Y698 | Q691-K693 PolarHBondContact O-N 3.44Å; Q691-Y698 HydrophobicContact CB-CD1 3.98Å; Q691-Y698 HydrophobicContact CB-CE1 3.64Å; Q691-Y698 HydrophobicContact CG-CD1 4.3Å; Q691-Y698 HydrophobicContact CG-CE1 3.82Å; Q691-Y698 PolarHBondContact OE1-OH 3.03Å |
| 692 | D | 83.8 | Confident | 82.7 | Confident | 43 Ų | 43 | 54.8 Ų | 54.8 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | trans | -71.1 | 121.2 | 167.1 | 171.3 | 25.7 | 0 | 0 | 0 | 109.6 | I690 I694 T695 N696 K697 | I690-D692 PolarHBondContact O-N 2.97Å; D692-I694 VanDerWaalsContact C-N 3.26Å; D692-I694 PolarHBondContact O-N 2.95Å; D692-I694 WeakPolarHBondContact OD1-CB 3.44Å; D692-I694 PolarHBondContact OD1-N 2.98Å; D692-T695 WeakPolarHBondContact OD2-CB 3.39Å; D692-T695 VanDerWaalsContact OD2-CG2 3.24Å; D692-T695 WeakPolarHBondContact OD2-CG2 3.24Å; D692-T695 PolarHBondContact OD2-N 2.82Å; D692-T695 PolarHBondContact OD2-OG1 3.23Å; D692-N696 WeakPolarHBondContact O-CA 3.43Å; D692-N696 PolarHBondContact O-N 3.1Å; D692-K697 PolarHBondContact N-O 3.27Å | ||
| 693 | K | 77.2 | Confident | 82 | Confident | 178 Ų | 178 | 60.6 Ų | 60.6 | 77% | 0.774 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.4 | -179.4 | -62.2 | 178.4 | -177.7 | 174.6 | 0 | 113.2 | Q691 | Q691-K693 PolarHBondContact O-N 3.44Š|
| 694 | I | 77.7 | Confident | 81.5 | Confident | 152 Ų | 152 | 65.8 Ų | 65.8 | 78% | 0.779 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -54.9 | -179.8 | -55.2 | 179.6 | 0 | 0 | 0 | 110.1 | D692 | D692-I694 VanDerWaalsContact C-N 3.26Å; D692-I694 PolarHBondContact O-N 2.95Å; D692-I694 WeakPolarHBondContact OD1-CB 3.44Å; D692-I694 PolarHBondContact OD1-N 2.98Å |
| 695 | T | 79.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -11 | -179.4 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | D692 K697 | D692-T695 WeakPolarHBondContact OD2-CB 3.39Å; D692-T695 VanDerWaalsContact OD2-CG2 3.24Å; D692-T695 WeakPolarHBondContact OD2-CG2 3.24Å; D692-T695 PolarHBondContact OD2-N 2.82Å; D692-T695 PolarHBondContact OD2-OG1 3.23Å; T695-K697 PolarHBondContact O-N 2.86Å; T695-K697 WeakPolarHBondContact OG1-CB 3.4Å; T695-K697 PolarHBondContact OG1-N 3.28Å |
| 696 | N | 80.2 | Confident | 82 | Confident | 112 Ų | 112 | 65.9 Ų | 65.9 | 60% | 0.599 | 33% | 0.334 | S | S | * | . | trans | 57.6 | 18.1 | -168.7 | -70.3 | -75 | 0 | 0 | 0 | 114.6 | D692 | D692-N696 WeakPolarHBondContact O-CA 3.43Å; D692-N696 PolarHBondContact O-N 3.1Å | ||
| 697 | K | 83.3 | Confident | 81.9 | Confident | 88 Ų | 88 | 70.8 Ų | 70.8 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | trans | -88.6 | 154 | 174.6 | -63.7 | -172.9 | 172 | -166.9 | 0 | 111.5 | F677 D692 T695 Q699 | F677-K697 HydrophobicContact CB-CB 4.09Å; F677-K697 HydrophobicContact CB-CD 4.34Å; F677-K697 HydrophobicContact CD1-CD 3.72Å; F677-K697 HydrophobicContact CD2-CD 3.82Å; F677-K697 HydrophobicContact CE1-CD 3.96Å; F677-K697 VanDerWaalsContact CE1-NZ 3.33Å; F677-K697 HydrophobicContact CE2-CD 4.07Å; F677-K697 VanDerWaalsContact CE2-NZ 3.32Å; F677-K697 HydrophobicContact CG-CB 4.32Å; F677-K697 HydrophobicContact CG-CD 3.67Å; F677-K697 HydrophobicContact CZ-CD 4.17Å; D692-K697 PolarHBondContact N-O 3.27Å; T695-K697 PolarHBondContact O-N 2.86Å; T695-K697 WeakPolarHBondContact OG1-CB 3.4Å; T695-K697 PolarHBondContact OG1-N 3.28Å; K697-Q699 PolarHBondContact O-N 3.02Å | ||
| 698 | Y | 89.1 | Confident | 81.9 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 6% | 0.055 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 94 | 171.8 | -73.6 | -74.7 | 0 | 0 | 0 | 109.3 | F677 L678 V689 I690 Q691 F719 E723 I725 V744 | F677-Y698 CarbonylContact C-O 3.55Å; F677-Y698 VanDerWaalsContact CA-O 3.24Å; F677-Y698 WeakPolarHBondContact CA-O 3.47Å; F677-Y698 WeakPolarHBondContact CB-O 3.15Å; L678-Y698 PolarHBondContact N-O 3.21Å; V689-Y698 HydrophobicContact CG2-CD1 4.2Å; I690-Y698 CarbonylContact O-C 3.53Å; I690-Y698 WeakPolarHBondContact O-CA 3.5Å; Q691-Y698 HydrophobicContact CB-CD1 3.98Å; Q691-Y698 HydrophobicContact CB-CE1 3.64Å; Q691-Y698 HydrophobicContact CG-CD1 4.3Å; Q691-Y698 HydrophobicContact CG-CE1 3.82Å; Q691-Y698 PolarHBondContact OE1-OH 3.03Å; Y698-F719 HydrophobicContact CD1-CE1 4.47Å; Y698-F719 AromaticContact CD1-CZ 3.9Å; Y698-F719 HydrophobicContact CD1-CZ 3.9Å; Y698-F719 HydrophobicContact CD2-CE1 4.22Å; Y698-F719 HydrophobicContact CD2-CZ 4.06Å; Y698-F719 AromaticContact CE1-CZ 3.78Å; Y698-F719 HydrophobicContact CE1-CZ 3.78Å; Y698-F719 HydrophobicContact CE2-CE1 4.46Å; Y698-F719 AromaticContact CE2-CZ 3.94Å; Y698-F719 HydrophobicContact CE2-CZ 3.94Å; Y698-F719 HydrophobicContact CG-CE1 4.23Å; Y698-F719 HydrophobicContact CG-CZ 4.05Å; Y698-F719 AromaticContact CZ-CZ 3.82Å; Y698-E723 HydrophobicContact CE2-CB 3.91Å; Y698-E723 HydrophobicContact CE2-CG 3.94Å; Y698-E723 PolarHBondContact OH-OE2 2.89Å; Y698-I725 HydrophobicContact CD2-CD1 3.86Å; Y698-I725 HydrophobicContact CD2-CG1 4.49Å; Y698-V744 HydrophobicContact CE1-CG1 4.46Å |
| 699 | Q | 89 | Confident | 82 | Confident | 71 Ų | 71 | 71.9 Ų | 71.9 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 133.8 | 174.8 | -175.3 | -179 | -9.1 | 0 | 0 | 109.5 | N676 V689 I690 K697 | N676-Q699 PolarHBondContact ND2-NE2 3.18Å; N676-Q699 VanDerWaalsContact ND2-NE2 3.19Å; N676-Q699 CarbonylContact O-C 3.44Å; N676-Q699 WeakPolarHBondContact O-CA 3.43Å; N676-Q699 WeakPolarHBondContact O-CG 3.18Å; V689-Q699 CarbonylContact C-O 3.58Å; V689-Q699 VanDerWaalsContact CA-O 3.22Å; V689-Q699 WeakPolarHBondContact CA-O 3.18Å; I690-Q699 HydrophobicContact CG2-CB 4.06Å; I690-Q699 PolarHBondContact N-O 2.82Å; I690-Q699 PolarHBondContact O-N 2.84Å; K697-Q699 PolarHBondContact O-N 3.02Å |
| 700 | C | 88.1 | Confident | 82 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.007 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 145.7 | 179.3 | -57.1 | 0 | 0 | 0 | 0 | 110.9 | N676 L678 C686 | N676-C700 PolarHBondContact O-N 3.08Å; L678-C700 PolarHBondContact N-SG 2.88Å; L678-C700 VanDerWaalsContact N-SG 3.35Å; C686-C700 HydrophobicContact CB-CB 3.69Å; C686-C700 WeakPolarHBondContact CB-SG 3.37Å; C686-C700 WeakPolarHBondContact SG-CB 3.43Å; C686-C700 CovalentContact SG-SG 2.02Å; C686-C700 PolarHBondContact SG-SG 3.01Å |
| 701 | L | 84.4 | Confident | 81.8 | Confident | 34 Ų | 34 | 74.1 Ų | 74.1 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.3 | 180 | -63 | 174.9 | 0 | 0 | 0 | 109.4 | T688 I690 | T688-L701 HydrophobicContact CG2-CB 4.11Å; T688-L701 HydrophobicContact CG2-CD1 4.12Å; T688-L701 PolarHBondContact O-N 2.87Å; I690-L701 HydrophobicContact CB-CD1 4.02Å; I690-L701 HydrophobicContact CG2-CD1 3.96Å; I690-L701 HydrophobicContact CG2-CD2 4.03Å; I690-L701 HydrophobicContact CG2-CG 4.02Å |
| 702 | P | 72.1 | Confident | 81.6 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 41% | 0.409 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -70.7 | -34.1 | 175.1 | 28.7 | -33.5 | 0 | 0 | 0 | 111.9 | ||
| 703 | D | 71.8 | Confident | 81.6 | Confident | 121 Ų | 121 | 74.4 Ų | 74.4 | 65% | 0.647 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -102 | -170.9 | -177.2 | -64.4 | -64 | 0 | 0 | 0 | 112.9 | T688 | T688-D703 WeakPolarHBondContact CB-O 3.26Å; T688-D703 PolarHBondContact OG1-O 2.97Å |
| 704 | D | 74.1 | Confident | 81.8 | Confident | 110 Ų | 110 | 68.7 Ų | 68.7 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -67.1 | 167.4 | 166.6 | -77.4 | -32.3 | 0 | 0 | 0 | 112.4 | R743 | D704-R743 IonicContact OD1-CZ 3.93Å; D704-R743 IonicContact OD1-NH1 3.58Å; D704-R743 PolarHBondContact OD1-NH1 2.87Å; D704-R743 IonicContact OD1-NH2 4Å |
| 705 | C | 83 | Confident | 81.9 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 139.5 | -176.2 | -63.7 | 0 | 0 | 0 | 0 | 113 | H709 T711 C745 | C705-H709 HydrophobicContact CB-CB 3.97Å; C705-T711 PolarHBondContact SG-OG1 3.03Å; C705-T711 VanDerWaalsContact SG-OG1 3.38Å; C705-C745 WeakPolarHBondContact CA-SG 3.04Å; C705-C745 HydrophobicContact CB-CB 3.76Å; C705-C745 WeakPolarHBondContact CB-SG 2.98Å; C705-C745 WeakPolarHBondContact SG-CA 3.4Å; C705-C745 WeakPolarHBondContact SG-CB 3.02Å; C705-C745 CovalentContact SG-SG 2.03Å; C705-C745 PolarHBondContact SG-SG 2.79Å |
| 706 | P | 83 | Confident | 81.6 | Confident | 46 Ų | 46 | 64 Ų | 64 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 157.9 | 178.6 | 26.2 | -34.5 | 0 | 0 | 0 | 111.4 | I690 H709 | I690-P706 HydrophobicContact CD1-CG 3.89Å; P706-H709 VanDerWaalsContact O-CB 3.32Å; P706-H709 WeakPolarHBondContact O-CB 3.3Å; P706-H709 PolarHBondContact O-N 2.8Å; P706-H709 PolarHBondContact O-ND1 3.1Å; P706-H709 VanDerWaalsContact O-ND1 3.14Å |
| 707 | P | 75.3 | Confident | 81.3 | Confident | 110 Ų | 110 | 63.1 Ų | 63.1 | 71% | 0.714 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 153.5 | 175.9 | -28.8 | 35.6 | 0 | 0 | 0 | 113.3 | H709 | P707-H709 VanDerWaalsContact C-N 3.27Å; P707-H709 PolarHBondContact O-ND1 3.17Å |
| 708 | K | 79.1 | Confident | 81.2 | Confident | 102 Ų | 102 | 63.1 Ų | 63.1 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 24.4 | -168.3 | -57.5 | 177.9 | 175.1 | -172.6 | 0 | 114.5 | P747 C748 D753 | K708-P747 CarbonylContact O-C 3.39Å; K708-P747 WeakPolarHBondContact O-CA 3.44Å; K708-C748 WeakPolarHBondContact O-CB 3.3Å; K708-C748 PolarHBondContact O-N 3.08Å; K708-D753 WeakPolarHBondContact CE-OD1 3.28Å; K708-D753 PolarHBondContact N-O 2.97Å; K708-D753 IonicContact NZ-OD1 2.68Å |
| 709 | H | 87.7 | Confident | 81 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.9 | 171.9 | -59.6 | 74.4 | 0 | 0 | 0 | 112 | C705 P706 P707 C745 K746 | C705-H709 HydrophobicContact CB-CB 3.97Å; P706-H709 VanDerWaalsContact O-CB 3.32Å; P706-H709 WeakPolarHBondContact O-CB 3.3Å; P706-H709 PolarHBondContact O-N 2.8Å; P706-H709 PolarHBondContact O-ND1 3.1Å; P706-H709 VanDerWaalsContact O-ND1 3.14Å; P707-H709 VanDerWaalsContact C-N 3.27Å; P707-H709 PolarHBondContact O-ND1 3.17Å; H709-C745 HydrophobicContact CB-CB 4.34Å; H709-K746 CarbonylContact C-O 3.58Å; H709-K746 WeakPolarHBondContact CA-O 3.45Å; H709-K746 WeakPolarHBondContact CB-O 3.26Å |
| 710 | Y | 87.4 | Confident | 80.6 | Confident | 23 Ų | 23 | 60 Ų | 60 | 9% | 0.09 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 172.5 | 165.8 | 71.9 | -80.8 | 0 | 0 | 0 | 110 | E712 C745 K746 P747 C755 A757 N758 | Y710-E712 HydrophobicContact CD2-CG 4.47Å; Y710-E712 HydrophobicContact CE2-CG 3.63Å; Y710-C745 WeakPolarHBondContact O-CA 3.2Å; Y710-K746 HydrophobicContact CD1-CB 3.99Å; Y710-K746 WeakPolarHBondContact CD1-O 3.36Å; Y710-K746 HydrophobicContact CD2-CB 4.49Å; Y710-K746 HydrophobicContact CE1-CB 3.35Å; Y710-K746 HydrophobicContact CE1-CG 4.41Å; Y710-K746 HydrophobicContact CE2-CB 3.95Å; Y710-K746 HydrophobicContact CE2-CG 4.28Å; Y710-K746 PolarHBondContact N-O 2.04Å; Y710-K746 PolarHBondContact O-N 2.77Å; Y710-K746 WeakPolarHBondContact OH-CB 3.25Å; Y710-P747 WeakPolarHBondContact CE1-O 3.48Å; Y710-C755 WeakPolarHBondContact CB-O 3.41Å; Y710-A757 VanDerWaalsContact CD1-C 3.48Å; Y710-A757 WeakPolarHBondContact CD1-O 3.49Å; Y710-A757 VanDerWaalsContact CD2-CA 3.41Å; Y710-N758 HydrophobicContact CE1-CB 3.9Å; Y710-N758 VanDerWaalsContact CE1-N 3.32Å; Y710-N758 VanDerWaalsContact CZ-N 3.26Å; Y710-N758 WeakPolarHBondContact OH-CB 3.44Å |
| 711 | T | 84.2 | Confident | 80.2 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 118.3 | -171.6 | -54.7 | 0 | 0 | 0 | 0 | 112 | C705 R743 | C705-T711 PolarHBondContact SG-OG1 3.03Å; C705-T711 VanDerWaalsContact SG-OG1 3.38Å; T711-R743 HydrophobicContact CG2-CB 3.43Å; T711-R743 VanDerWaalsContact CG2-CB 3.43Å; T711-R743 HydrophobicContact CG2-CG 3.7Å |
| 712 | E | 83.7 | Confident | 80.2 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.4 | 163 | -67.2 | -174.4 | 152.3 | 0 | 0 | 110.1 | Y710 Y714 V744 K746 | Y710-E712 HydrophobicContact CD2-CG 4.47Å; Y710-E712 HydrophobicContact CE2-CG 3.63Å; E712-Y714 HydrophobicContact CB-CD2 4.27Å; E712-Y714 HydrophobicContact CB-CE2 3.56Å; E712-Y714 WeakPolarHBondContact OE2-CE2 3.48Å; E712-Y714 PolarHBondContact OE2-OH 2.8Å; E712-V744 PolarHBondContact N-O 2.89Å; E712-V744 PolarHBondContact O-N 3.19Å; E712-K746 HydrophobicContact CB-CG 4.43Å; E712-K746 HydrophobicContact CG-CG 3.78Å; E712-K746 WeakPolarHBondContact OE2-CE 3.4Å; E712-K746 IonicContact OE2-NZ 2.86Å |
| 713 | S | 83.4 | Confident | 80.7 | Confident | 70 Ų | 70 | 68 Ų | 68 | 49% | 0.49 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.8 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | I742 | S713-I742 WeakPolarHBondContact CA-O 3.41Å |
| 714 | Y | 82.5 | Confident | 81.2 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.5 | 177.3 | -64.2 | -93.7 | 0 | 0 | 0 | 110 | E712 T716 F719 K722 M741 I742 V744 | E712-Y714 HydrophobicContact CB-CD2 4.27Å; E712-Y714 HydrophobicContact CB-CE2 3.56Å; E712-Y714 WeakPolarHBondContact OE2-CE2 3.48Å; E712-Y714 PolarHBondContact OE2-OH 2.8Å; Y714-T716 PolarHBondContact O-N 3.02Å; Y714-F719 HydrophobicContact CD2-CD2 4.01Å; Y714-F719 HydrophobicContact CE2-CD2 4.47Å; Y714-F719 HydrophobicContact CG-CD2 4.1Å; Y714-K722 HydrophobicContact CE1-CD 4.44Å; Y714-K722 PolarHBondContact OH-NZ 2.95Å; Y714-M741 CarbonylContact O-C 3.58Å; Y714-M741 VanDerWaalsContact O-CA 3.28Å; Y714-M741 WeakPolarHBondContact O-CA 3.41Å; Y714-I742 PolarHBondContact N-O 2.83Å; Y714-I742 PolarHBondContact O-N 3.12Å; Y714-V744 HydrophobicContact CD2-CB 4.35Å; Y714-V744 HydrophobicContact CD2-CG2 3.66Å; Y714-V744 HydrophobicContact CE2-CB 4.21Å; Y714-V744 HydrophobicContact CE2-CG2 3.92Å |
| 715 | Q | 79.1 | Confident | 81.4 | Confident | 119 Ų | 119 | 66.8 Ų | 66.8 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 134.3 | 163.5 | -65.2 | -167 | 16.9 | 0 | 0 | 108.6 | Q717 D718 F719 M741 | Q715-Q717 VanDerWaalsContact C-N 3.28Å; Q715-Q717 PolarHBondContact O-N 3.09Å; Q715-D718 HydrophobicContact CB-CB 4.18Å; Q715-D718 PolarHBondContact O-N 3.3Å; Q715-D718 VanDerWaalsContact O-N 3.08Å; Q715-F719 PolarHBondContact O-N 3.14Å; Q715-M741 HydrophobicContact CG-SD 3.93Å |
| 716 | T | 73.8 | Confident | 81 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.3 | -41 | -171.9 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | Y714 F719 I720 G740 I742 | Y714-T716 PolarHBondContact O-N 3.02Å; T716-F719 PolarHBondContact O-N 2.9Å; T716-I720 HydrophobicContact CG2-CD1 3.87Å; T716-I720 WeakPolarHBondContact O-CD1 3.04Å; T716-I720 VanDerWaalsContact O-CG1 3.27Å; T716-I720 WeakPolarHBondContact O-CG1 3.27Å; T716-I720 PolarHBondContact O-N 2.95Å; T716-G740 PolarHBondContact N-O 2.87Å; T716-G740 PolarHBondContact OG1-O 2.94Å; T716-I742 PolarHBondContact OG1-N 3.08Å |
| 717 | Q | 73.7 | Confident | 80.3 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 177.1 | -169.2 | 62.3 | 60.7 | 0 | 0 | 112.8 | Q715 F719 I720 N721 | Q715-Q717 VanDerWaalsContact C-N 3.28Å; Q715-Q717 PolarHBondContact O-N 3.09Å; Q717-F719 VanDerWaalsContact C-N 3.33Å; Q717-F719 PolarHBondContact O-N 3.01Å; Q717-I720 PolarHBondContact O-N 2.86Å; Q717-N721 PolarHBondContact NE2-OD1 3.28Å; Q717-N721 VanDerWaalsContact O-CB 3.32Å; Q717-N721 WeakPolarHBondContact O-CB 3.27Å; Q717-N721 PolarHBondContact O-N 3.23Å; Q717-N721 PolarHBondContact O-ND2 2.8Å; Q717-N721 PolarHBondContact O-OD1 2.71Å |
| 718 | D | 81.2 | Confident | 79.6 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 177 | -74.9 | -22.4 | 0 | 0 | 0 | 111.5 | Q715 N721 K722 | Q715-D718 HydrophobicContact CB-CB 4.18Å; Q715-D718 PolarHBondContact O-N 3.3Å; Q715-D718 VanDerWaalsContact O-N 3.08Å; D718-N721 PolarHBondContact O-N 3.48Å; D718-K722 WeakPolarHBondContact O-CB 3.39Å; D718-K722 PolarHBondContact O-N 3.49Å |
| 719 | F | 85 | Confident | 78.4 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 174.8 | -174.7 | -104.9 | 0 | 0 | 0 | 111.9 | L678 V689 Y698 Y714 Q715 T716 Q717 N721 K722 E723 I725 I742 V744 | L678-F719 HydrophobicContact CD2-CD1 4.34Å; L678-F719 HydrophobicContact CD2-CE1 4.25Å; V689-F719 HydrophobicContact CG2-CE1 4.29Å; V689-F719 HydrophobicContact CG2-CZ 4.37Å; Y698-F719 HydrophobicContact CD1-CE1 4.47Å; Y698-F719 AromaticContact CD1-CZ 3.9Å; Y698-F719 HydrophobicContact CD1-CZ 3.9Å; Y698-F719 HydrophobicContact CD2-CE1 4.22Å; Y698-F719 HydrophobicContact CD2-CZ 4.06Å; Y698-F719 AromaticContact CE1-CZ 3.78Å; Y698-F719 HydrophobicContact CE1-CZ 3.78Å; Y698-F719 HydrophobicContact CE2-CE1 4.46Å; Y698-F719 AromaticContact CE2-CZ 3.94Å; Y698-F719 HydrophobicContact CE2-CZ 3.94Å; Y698-F719 HydrophobicContact CG-CE1 4.23Å; Y698-F719 HydrophobicContact CG-CZ 4.05Å; Y698-F719 AromaticContact CZ-CZ 3.82Å; Y714-F719 HydrophobicContact CD2-CD2 4.01Å; Y714-F719 HydrophobicContact CE2-CD2 4.47Å; Y714-F719 HydrophobicContact CG-CD2 4.1Å; Q715-F719 PolarHBondContact O-N 3.14Å; T716-F719 PolarHBondContact O-N 2.9Å; Q717-F719 VanDerWaalsContact C-N 3.33Å; Q717-F719 PolarHBondContact O-N 3.01Å; F719-N721 VanDerWaalsContact C-N 3.3Å; F719-N721 PolarHBondContact O-N 3.08Å; F719-K722 PolarHBondContact O-N 2.87Å; F719-E723 HydrophobicContact CD2-CG 3.83Å; F719-E723 HydrophobicContact CE1-CG 4.25Å; F719-E723 HydrophobicContact CE2-CG 3.45Å; F719-E723 VanDerWaalsContact CE2-CG 3.45Å; F719-E723 HydrophobicContact CG-CG 4.36Å; F719-E723 HydrophobicContact CZ-CG 3.71Å; F719-E723 PolarHBondContact O-N 3.22Å; F719-I725 HydrophobicContact CD1-CD1 4.09Å; F719-I725 HydrophobicContact CE1-CD1 3.75Å; F719-I742 HydrophobicContact CB-CG2 3.6Å; F719-I742 HydrophobicContact CD1-CD1 3.87Å; F719-I742 HydrophobicContact CD1-CG2 3.97Å; F719-I742 HydrophobicContact CE1-CD1 4.06Å; F719-I742 HydrophobicContact CG-CG2 3.78Å; F719-V744 HydrophobicContact CD2-CG2 3.87Å; F719-V744 HydrophobicContact CE1-CG2 4.36Å; F719-V744 HydrophobicContact CE2-CG1 4.34Å; F719-V744 HydrophobicContact CE2-CG2 3.4Å; F719-V744 VanDerWaalsContact CE2-CG2 3.4Å; F719-V744 HydrophobicContact CZ-CG1 4.43Å; F719-V744 HydrophobicContact CZ-CG2 3.67Å |
| 720 | I | 80.7 | Confident | 76.6 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 11% | 0.108 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.8 | -45.8 | 174.5 | -72.2 | 164.2 | 0 | 0 | 0 | 110.7 | T716 Q717 K724 I725 V727 | T716-I720 HydrophobicContact CG2-CD1 3.87Å; T716-I720 WeakPolarHBondContact O-CD1 3.04Å; T716-I720 VanDerWaalsContact O-CG1 3.27Å; T716-I720 WeakPolarHBondContact O-CG1 3.27Å; T716-I720 PolarHBondContact O-N 2.95Å; Q717-I720 PolarHBondContact O-N 2.86Å; I720-K724 VanDerWaalsContact O-CA 3.27Å; I720-K724 WeakPolarHBondContact O-CA 3.38Å; I720-K724 PolarHBondContact O-N 3.4Å; I720-I725 HydrophobicContact CG2-CB 4.44Å; I720-I725 WeakPolarHBondContact CG2-O 3.34Å; I720-I725 PolarHBondContact O-N 2.77Å; I720-I725 VanDerWaalsContact O-N 3.08Å; I720-V727 HydrophobicContact CD1-CG2 4.11Å; I720-V727 HydrophobicContact CG1-CG2 4.4Å; I720-V727 HydrophobicContact CG2-CG2 4.11Å |
| 721 | N | 80.1 | Confident | 74.4 | Confident | 97 Ų | 97 | 73.8 Ų | 73.8 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 178.6 | -67.8 | -15.5 | 0 | 0 | 0 | 112.7 | Q717 D718 F719 | Q717-N721 PolarHBondContact NE2-OD1 3.28Å; Q717-N721 VanDerWaalsContact O-CB 3.32Å; Q717-N721 WeakPolarHBondContact O-CB 3.27Å; Q717-N721 PolarHBondContact O-N 3.23Å; Q717-N721 PolarHBondContact O-ND2 2.8Å; Q717-N721 PolarHBondContact O-OD1 2.71Å; D718-N721 PolarHBondContact O-N 3.48Å; F719-N721 VanDerWaalsContact C-N 3.3Å; F719-N721 PolarHBondContact O-N 3.08Å |
| 722 | K | 83.3 | Confident | 72.3 | Confident | 106 Ų | 106 | 80 Ų | 80 | 46% | 0.461 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.2 | -50.7 | -177.4 | 176.9 | -169.2 | 172.7 | -140.6 | 0 | 111.9 | Y714 D718 F719 K724 | Y714-K722 HydrophobicContact CE1-CD 4.44Å; Y714-K722 PolarHBondContact OH-NZ 2.95Å; D718-K722 WeakPolarHBondContact O-CB 3.39Å; D718-K722 PolarHBondContact O-N 3.49Å; F719-K722 PolarHBondContact O-N 2.87Å; K722-K724 VanDerWaalsContact C-N 3.31Å |
| 723 | E | 83.5 | Confident | 70.2 | Confident | 63 Ų | 63 | 79.4 Ų | 79.4 | 29% | 0.294 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -85.8 | -4.7 | -177.9 | -51.7 | -57.3 | 152.6 | 0 | 0 | 112.5 | Y698 F719 I725 | Y698-E723 HydrophobicContact CE2-CB 3.91Å; Y698-E723 HydrophobicContact CE2-CG 3.94Å; Y698-E723 PolarHBondContact OH-OE2 2.89Å; F719-E723 HydrophobicContact CD2-CG 3.83Å; F719-E723 HydrophobicContact CE1-CG 4.25Å; F719-E723 HydrophobicContact CE2-CG 3.45Å; F719-E723 VanDerWaalsContact CE2-CG 3.45Å; F719-E723 HydrophobicContact CG-CG 4.36Å; F719-E723 HydrophobicContact CZ-CG 3.71Å; F719-E723 PolarHBondContact O-N 3.22Å; E723-I725 HydrophobicContact CB-CD1 4.39Å; E723-I725 HydrophobicContact CB-CG1 4.16Å |
| 724 | K | 80.6 | Confident | 67.9 | Low | 175 Ų | 175 | 82.9 Ų | 82.9 | 76% | 0.761 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 40 | 176.5 | -54.4 | 170.7 | -171.9 | 163.7 | 0 | 113.8 | I720 K722 I726 | I720-K724 VanDerWaalsContact O-CA 3.27Å; I720-K724 WeakPolarHBondContact O-CA 3.38Å; I720-K724 PolarHBondContact O-N 3.4Å; K722-K724 VanDerWaalsContact C-N 3.31Å; K724-I726 PolarHBondContact O-N 2.78Å |
| 725 | I | 78.9 | Confident | 65.6 | Low | 29 Ų | 29 | 90.8 Ų | 90.8 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | trans | -70.9 | 127.6 | 177 | -56.4 | 177.4 | 0 | 0 | 0 | 108.3 | L678 Y698 F719 I720 E723 V727 | L678-I725 HydrophobicContact CD2-CD1 3.73Å; L678-I725 HydrophobicContact CG-CD1 4.16Å; L678-I725 HydrophobicContact CG-CG2 4.35Å; L678-I725 WeakPolarHBondContact O-CG2 3.28Å; Y698-I725 HydrophobicContact CD2-CD1 3.86Å; Y698-I725 HydrophobicContact CD2-CG1 4.49Å; F719-I725 HydrophobicContact CD1-CD1 4.09Å; F719-I725 HydrophobicContact CE1-CD1 3.75Å; I720-I725 HydrophobicContact CG2-CB 4.44Å; I720-I725 WeakPolarHBondContact CG2-O 3.34Å; I720-I725 PolarHBondContact O-N 2.77Å; I720-I725 VanDerWaalsContact O-N 3.08Å; E723-I725 HydrophobicContact CB-CD1 4.39Å; E723-I725 HydrophobicContact CB-CG1 4.16Å; I725-V727 HydrophobicContact CG2-CG2 4.23Å | ||
| 726 | I | 74.7 | Confident | 63.7 | Low | 118 Ų | 118 | 88.8 Ų | 88.8 | 61% | 0.605 | 46% | 0.462 | S | S | * | . | trans | -82.7 | 128.4 | 174.1 | -56.8 | 177.1 | 0 | 0 | 0 | 107.5 | G679 L680 K724 | G679-I726 CarbonylContact C-O 3.5Å; G679-I726 WeakPolarHBondContact CA-O 3Å; L680-I726 HydrophobicContact CB-CB 4.36Å; L680-I726 HydrophobicContact CB-CG2 4.18Å; L680-I726 HydrophobicContact CD2-CG2 4.12Å; L680-I726 PolarHBondContact N-O 3.18Å; K724-I726 PolarHBondContact O-N 2.78Å | ||
| 727 | V | 69 | Low | 62.2 | Low | 33 Ų | 33 | 93.8 Ų | 93.8 | 20% | 0.2 | 48% | 0.484 | C | S | . | . | trans | -124.7 | 153.4 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | E684 I720 I725 | E684-V727 HydrophobicContact CB-CG1 4.41Å; E684-V727 WeakPolarHBondContact OE1-CG1 3.33Å; I720-V727 HydrophobicContact CD1-CG2 4.11Å; I720-V727 HydrophobicContact CG1-CG2 4.4Å; I720-V727 HydrophobicContact CG2-CG2 4.11Å; I725-V727 HydrophobicContact CG2-CG2 4.23Å | ||
| 728 | S | 60.3 | Low | 60.7 | Low | 36 Ų | 36 | 94 Ų | 94 | 25% | 0.252 | 49% | 0.488 | S | S | . | . | trans | -64.4 | 151 | -173.3 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | E684 H730 S731 | E684-S728 WeakPolarHBondContact OE1-CA 3.26Å; E684-S728 WeakPolarHBondContact OE1-CB 3.06Å; E684-S728 PolarHBondContact OE1-N 3.12Å; E684-S728 PolarHBondContact OE1-OG 3.5Å; S728-H730 PolarHBondContact O-N 3.15Å; S728-H730 VanDerWaalsContact O-N 3.17Å; S728-S731 WeakPolarHBondContact O-CB 3.42Å; S728-S731 PolarHBondContact O-N 3.44Å; S728-S731 PolarHBondContact O-OG 3.43Å | ||
| 729 | S | 53.6 | Low | 58.7 | Low | 96 Ų | 96 | 93.5 Ų | 93.5 | 67% | 0.671 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.8 | -167 | 59.7 | 0 | 0 | 0 | 0 | 115.3 | S731 | S729-S731 PolarHBondContact O-N 2.81Š|
| 730 | H | 49.7 | Very low | 57.5 | Low | 163 Ų | 163 | 95.1 Ų | 95.1 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.6 | 179.2 | -66.7 | 18.5 | 0 | 0 | 0 | 112.5 | S728 Q732 | S728-H730 PolarHBondContact O-N 3.15Å; S728-H730 VanDerWaalsContact O-N 3.17Å; H730-Q732 PolarHBondContact O-N 2.95Å; H730-Q732 VanDerWaalsContact O-N 3.09Å |
| 731 | S | 41.9 | Very low | 57.1 | Low | 54 Ų | 54 | 98.9 Ų | 98.9 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | trans | -73.3 | 13.7 | 178.5 | 57.2 | 0 | 0 | 0 | 0 | 115.8 | S728 S729 V733 | S728-S731 WeakPolarHBondContact O-CB 3.42Å; S728-S731 PolarHBondContact O-N 3.44Å; S728-S731 PolarHBondContact O-OG 3.43Å; S729-S731 PolarHBondContact O-N 2.81Å; S731-V733 PolarHBondContact O-N 3.24Å | ||
| 732 | Q | 39.6 | Very low | 57.1 | Low | 187 Ų | 187 | 94.2 Ų | 94.2 | 87% | 0.874 | 51% | 0.513 | S | S | * | . | trans | -75.3 | 55.8 | 173.7 | -66.7 | -156.5 | 27.3 | 0 | 0 | 113.2 | H730 | H730-Q732 PolarHBondContact O-N 2.95Å; H730-Q732 VanDerWaalsContact O-N 3.09Å | ||
| 733 | V | 38.7 | Very low | 57.2 | Low | 46 Ų | 46 | 92.6 Ų | 92.6 | 28% | 0.279 | 50% | 0.504 | S | S | . | . | trans | -60.1 | 147.1 | 166.7 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | N668 S731 E737 L738 | N668-V733 WeakPolarHBondContact ND2-CG2 3.35Å; S731-V733 PolarHBondContact O-N 3.24Å; V733-E737 HydrophobicContact CG1-CB 3.63Å; V733-L738 HydrophobicContact CB-CD1 4.35Å; V733-L738 HydrophobicContact CG1-CD1 4.28Å; V733-L738 HydrophobicContact CG2-CD1 4.18Å | ||
| 734 | K | 36.4 | Very low | 57.4 | Low | 143 Ų | 143 | 89.6 Ų | 89.6 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | trans | -58.5 | 146.7 | -177.5 | -52 | -175.6 | -146.7 | 91 | 0 | 110.6 | G736 E737 | K734-G736 PolarHBondContact O-N 3.48Å; K734-E737 IonicContact NZ-OE1 3.14Å; K734-E737 PolarHBondContact NZ-OE1 3.2Å; K734-E737 IonicContact NZ-OE2 3.3Å; K734-E737 PolarHBondContact NZ-OE2 2.81Å; K734-E737 PolarHBondContact O-N 3.16Å | ||
| 735 | K | 35 | Very low | 57.8 | Low | 225 Ų | 225 | 81.5 Ų | 81.5 | 98% | 0.978 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 98.1 | 167.4 | -78.8 | -171.9 | 173.2 | -174.4 | 0 | 109.7 | ||
| 736 | G | 37.8 | Very low | 58.2 | Low | 77 Ų | 77 | 82 Ų | 82 | 79% | 0.794 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150.1 | -27.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K734 | K734-G736 PolarHBondContact O-N 3.48Š|
| 737 | E | 43.7 | Very low | 58.7 | Low | 119 Ų | 119 | 79.7 Ų | 79.7 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -103.6 | -3.3 | -163 | -68.7 | 165.1 | 151.9 | 0 | 0 | 115.2 | V733 K734 | V733-E737 HydrophobicContact CG1-CB 3.63Å; K734-E737 IonicContact NZ-OE1 3.14Å; K734-E737 PolarHBondContact NZ-OE1 3.2Å; K734-E737 IonicContact NZ-OE2 3.3Å; K734-E737 PolarHBondContact NZ-OE2 2.81Å; K734-E737 PolarHBondContact O-N 3.16Å |
| 738 | L | 40.3 | Very low | 59.5 | Low | 99 Ų | 99 | 78.6 Ų | 78.6 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | trans | -109.9 | 51.9 | -174.8 | -137.5 | 80.7 | 0 | 0 | 0 | 114.7 | V733 G740 | V733-L738 HydrophobicContact CB-CD1 4.35Å; V733-L738 HydrophobicContact CG1-CD1 4.28Å; V733-L738 HydrophobicContact CG2-CD1 4.18Å; L738-G740 PolarHBondContact O-N 3.5Å | ||
| 739 | G | 40.4 | Very low | 60.4 | Low | 76 Ų | 76 | 79.2 Ų | 79.2 | 78% | 0.784 | 44% | 0.442 | S | S | * | . | trans | -74.2 | 35.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 740 | G | 60.5 | Low | 61.7 | Low | 35 Ų | 35 | 79.2 Ų | 79.2 | 36% | 0.361 | 44% | 0.439 | S | S | . | . | trans | -82.9 | 145.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | T716 L738 | T716-G740 PolarHBondContact N-O 2.87Å; T716-G740 PolarHBondContact OG1-O 2.94Å; L738-G740 PolarHBondContact O-N 3.5Å | ||
| 741 | M | 71.4 | Confident | 63.3 | Low | 99 Ų | 99 | 73.3 Ų | 73.3 | 49% | 0.488 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.1 | 168.7 | -68.7 | -78 | -84.2 | 0 | 0 | 109.7 | Y714 Q715 | Y714-M741 CarbonylContact O-C 3.58Å; Y714-M741 VanDerWaalsContact O-CA 3.28Å; Y714-M741 WeakPolarHBondContact O-CA 3.41Å; Q715-M741 HydrophobicContact CG-SD 3.93Å |
| 742 | I | 79.6 | Confident | 65.2 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.1 | 177 | -174.4 | 165.4 | 0 | 0 | 0 | 111.2 | L678 C686 V689 S713 Y714 T716 F719 | L678-I742 HydrophobicContact CD2-CD1 3.47Å; L678-I742 VanDerWaalsContact CD2-CD1 3.47Å; C686-I742 WeakPolarHBondContact O-CG1 3.46Å; V689-I742 HydrophobicContact CG1-CD1 3.93Å; V689-I742 HydrophobicContact CG2-CD1 3.82Å; V689-I742 HydrophobicContact CG2-CG1 4.06Å; S713-I742 WeakPolarHBondContact CA-O 3.41Å; Y714-I742 PolarHBondContact N-O 2.83Å; Y714-I742 PolarHBondContact O-N 3.12Å; T716-I742 PolarHBondContact OG1-N 3.08Å; F719-I742 HydrophobicContact CB-CG2 3.6Å; F719-I742 HydrophobicContact CD1-CD1 3.87Å; F719-I742 HydrophobicContact CD1-CG2 3.97Å; F719-I742 HydrophobicContact CE1-CD1 4.06Å; F719-I742 HydrophobicContact CG-CG2 3.78Å |
| 743 | R | 85.5 | Confident | 67.2 | Low | 71 Ų | 71 | 63.9 Ų | 63.9 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110 | -178.2 | -70.3 | -174.8 | -68.5 | 159.6 | 2.7 | 110.1 | W687 T688 V689 D704 T711 | W687-R743 VanDerWaalsContact O-CB 3.27Å; W687-R743 WeakPolarHBondContact O-CB 3.31Å; W687-R743 PolarHBondContact O-N 3.5Å; T688-R743 CarbonylContact C-O 3.44Å; T688-R743 VanDerWaalsContact CA-O 3.28Å; T688-R743 WeakPolarHBondContact CA-O 3.46Å; T688-R743 PolarHBondContact OG1-NH2 2.93Å; V689-R743 PolarHBondContact N-O 3.41Å; D704-R743 IonicContact OD1-CZ 3.93Å; D704-R743 IonicContact OD1-NH1 3.58Å; D704-R743 PolarHBondContact OD1-NH1 2.87Å; D704-R743 IonicContact OD1-NH2 4Å; T711-R743 HydrophobicContact CG2-CB 3.43Å; T711-R743 VanDerWaalsContact CG2-CB 3.43Å; T711-R743 HydrophobicContact CG2-CG 3.7Å |
| 744 | V | 87.6 | Confident | 69.3 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.5 | -176.8 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | V689 Y698 E712 Y714 F719 K746 | V689-V744 HydrophobicContact CG2-CB 4.43Å; V689-V744 HydrophobicContact CG2-CG1 4.49Å; V689-V744 HydrophobicContact CG2-CG2 4Å; Y698-V744 HydrophobicContact CE1-CG1 4.46Å; E712-V744 PolarHBondContact N-O 2.89Å; E712-V744 PolarHBondContact O-N 3.19Å; Y714-V744 HydrophobicContact CD2-CB 4.35Å; Y714-V744 HydrophobicContact CD2-CG2 3.66Å; Y714-V744 HydrophobicContact CE2-CB 4.21Å; Y714-V744 HydrophobicContact CE2-CG2 3.92Å; F719-V744 HydrophobicContact CD2-CG2 3.87Å; F719-V744 HydrophobicContact CE1-CG2 4.36Å; F719-V744 HydrophobicContact CE2-CG1 4.34Å; F719-V744 HydrophobicContact CE2-CG2 3.4Å; F719-V744 VanDerWaalsContact CE2-CG2 3.4Å; F719-V744 HydrophobicContact CZ-CG1 4.43Å; F719-V744 HydrophobicContact CZ-CG2 3.67Å; V744-K746 HydrophobicContact CG1-CD 4.05Å; V744-K746 PolarHBondContact O-N 3.47Å |
| 745 | C | 89.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 110.5 | 174.6 | -56 | 0 | 0 | 0 | 0 | 109.9 | T688 V689 I690 C705 H709 Y710 | T688-C745 WeakPolarHBondContact CG2-SG 3.16Å; V689-C745 WeakPolarHBondContact O-CB 3.31Å; V689-C745 PolarHBondContact O-N 3.31Å; I690-C745 HydrophobicContact CB-CB 4.02Å; I690-C745 HydrophobicContact CD1-CB 4.47Å; I690-C745 HydrophobicContact CG1-CB 4.16Å; C705-C745 WeakPolarHBondContact CA-SG 3.04Å; C705-C745 HydrophobicContact CB-CB 3.76Å; C705-C745 WeakPolarHBondContact CB-SG 2.98Å; C705-C745 WeakPolarHBondContact SG-CA 3.4Å; C705-C745 WeakPolarHBondContact SG-CB 3.02Å; C705-C745 CovalentContact SG-SG 2.03Å; C705-C745 PolarHBondContact SG-SG 2.79Å; H709-C745 HydrophobicContact CB-CB 4.34Å; Y710-C745 WeakPolarHBondContact O-CA 3.2Å |
| 746 | K | 87.3 | Confident | 73.8 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 17% | 0.17 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138.9 | 173.4 | -63.8 | -55.7 | -170.8 | -173.4 | 0 | 108.9 | H709 Y710 E712 V744 C748 | H709-K746 CarbonylContact C-O 3.58Å; H709-K746 WeakPolarHBondContact CA-O 3.45Å; H709-K746 WeakPolarHBondContact CB-O 3.26Å; Y710-K746 HydrophobicContact CD1-CB 3.99Å; Y710-K746 WeakPolarHBondContact CD1-O 3.36Å; Y710-K746 HydrophobicContact CD2-CB 4.49Å; Y710-K746 HydrophobicContact CE1-CB 3.35Å; Y710-K746 HydrophobicContact CE1-CG 4.41Å; Y710-K746 HydrophobicContact CE2-CB 3.95Å; Y710-K746 HydrophobicContact CE2-CG 4.28Å; Y710-K746 PolarHBondContact N-O 2.04Å; Y710-K746 PolarHBondContact O-N 2.77Å; Y710-K746 WeakPolarHBondContact OH-CB 3.25Å; E712-K746 HydrophobicContact CB-CG 4.43Å; E712-K746 HydrophobicContact CG-CG 3.78Å; E712-K746 WeakPolarHBondContact OE2-CE 3.4Å; E712-K746 IonicContact OE2-NZ 2.86Å; V744-K746 HydrophobicContact CG1-CD 4.05Å; V744-K746 PolarHBondContact O-N 3.47Å; K746-C748 PolarHBondContact O-N 3.28Å |
| 747 | P | 85.7 | Confident | 75.8 | Confident | 71 Ų | 71 | 51.4 Ų | 51.4 | 46% | 0.461 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140.4 | 178.4 | 27.4 | -34.6 | 0 | 0 | 0 | 110.5 | K708 Y710 | K708-P747 CarbonylContact O-C 3.39Å; K708-P747 WeakPolarHBondContact O-CA 3.44Å; Y710-P747 WeakPolarHBondContact CE1-O 3.48Å |
| 748 | C | 85.3 | Confident | 77.5 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 166.7 | 164.5 | -69.1 | 0 | 0 | 0 | 0 | 110.7 | K708 K746 C752 C755 | K708-C748 WeakPolarHBondContact O-CB 3.3Å; K708-C748 PolarHBondContact O-N 3.08Å; K746-C748 PolarHBondContact O-N 3.28Å; C748-C752 HydrophobicContact CB-CB 4.16Å; C748-C752 WeakPolarHBondContact CB-O 3.36Å; C748-C755 WeakPolarHBondContact CA-SG 3.47Å; C748-C755 HydrophobicContact CB-CB 3.99Å; C748-C755 WeakPolarHBondContact CB-SG 3.23Å; C748-C755 WeakPolarHBondContact SG-CB 3.45Å; C748-C755 PolarHBondContact SG-N 3.46Å; C748-C755 VanDerWaalsContact SG-N 3.42Å; C748-C755 CovalentContact SG-SG 2.03Å; C748-C755 PolarHBondContact SG-SG 3.39Å |
| 749 | H | 79.3 | Confident | 79.1 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 139.6 | 165.9 | -166.6 | -106.6 | 0 | 0 | 0 | 109.8 | F751 C752 T760 | H749-F751 AromaticContact CE1-CD2 3.34Å; H749-F751 WeakPolarHBondContact CE1-CD2 3.19Å; H749-F751 AromaticContact CE1-CE2 3.47Å; H749-F751 VanDerWaalsContact CE1-CE2 3.47Å; H749-F751 WeakPolarHBondContact CE1-CE2 3.41Å; H749-F751 AromaticContact ND1-CD2 3.54Å; H749-F751 PolarHBondContact O-N 3.05Å; H749-C752 WeakPolarHBondContact O-CB 3.47Å; H749-C752 PolarHBondContact O-N 3.29Å; H749-T760 VanDerWaalsContact CE1-CG2 3.47Å; H749-T760 WeakPolarHBondContact CE1-CG2 3.4Å |
| 750 | P | 80.4 | Confident | 80.9 | Confident | 95 Ų | 95 | 44.3 Ų | 44.3 | 62% | 0.617 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26.9 | -170 | -31 | 37.2 | 0 | 0 | 0 | 115.7 | C752 | P750-C752 VanDerWaalsContact C-N 3.3Å; P750-C752 PolarHBondContact O-N 2.81Å |
| 751 | F | 83.3 | Confident | 81.9 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.1 | 179 | -46 | -37.2 | 0 | 0 | 0 | 113.7 | H749 T769 H770 C777 E779 | H749-F751 AromaticContact CE1-CD2 3.34Å; H749-F751 WeakPolarHBondContact CE1-CD2 3.19Å; H749-F751 AromaticContact CE1-CE2 3.47Å; H749-F751 VanDerWaalsContact CE1-CE2 3.47Å; H749-F751 WeakPolarHBondContact CE1-CE2 3.41Å; H749-F751 AromaticContact ND1-CD2 3.54Å; H749-F751 PolarHBondContact O-N 3.05Å; F751-T769 VanDerWaalsContact C-OG1 3.29Å; F751-T769 WeakPolarHBondContact CA-OG1 3.18Å; F751-T769 PolarHBondContact O-N 3.38Å; F751-T769 PolarHBondContact O-OG1 3.35Å; F751-H770 AromaticContact CD1-CD2 3.6Å; F751-H770 AromaticContact CD1-NE2 3.7Å; F751-H770 AromaticContact CG-CD2 3.91Å; F751-C777 PolarHBondContact O-SG 2.88Å; F751-E779 HydrophobicContact CD1-CB 4.02Å; F751-E779 HydrophobicContact CD1-CG 4.07Å; F751-E779 HydrophobicContact CD2-CB 4.22Å; F751-E779 HydrophobicContact CE1-CB 3.6Å; F751-E779 HydrophobicContact CE1-CG 3.59Å; F751-E779 WeakPolarHBondContact CE1-OE2 3.32Å; F751-E779 HydrophobicContact CE2-CB 3.81Å; F751-E779 HydrophobicContact CG-CB 4.36Å; F751-E779 HydrophobicContact CZ-CB 3.52Å; F751-E779 HydrophobicContact CZ-CG 3.97Å; F751-E779 WeakPolarHBondContact CZ-OE2 3.47Å |
| 752 | C | 82.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 121.4 | -172.6 | -166 | 0 | 0 | 0 | 0 | 113.1 | C748 H749 P750 L754 C765 S767 | C748-C752 HydrophobicContact CB-CB 4.16Å; C748-C752 WeakPolarHBondContact CB-O 3.36Å; H749-C752 WeakPolarHBondContact O-CB 3.47Å; H749-C752 PolarHBondContact O-N 3.29Å; P750-C752 VanDerWaalsContact C-N 3.3Å; P750-C752 PolarHBondContact O-N 2.81Å; C752-L754 PolarHBondContact SG-O 3.32Å; C752-C765 HydrophobicContact CB-CB 3.98Å; C752-C765 WeakPolarHBondContact CB-SG 3.42Å; C752-C765 WeakPolarHBondContact SG-CA 3.23Å; C752-C765 WeakPolarHBondContact SG-CB 3.26Å; C752-C765 CovalentContact SG-SG 2.03Å; C752-C765 PolarHBondContact SG-SG 3.26Å; C752-S767 CarbonylContact C-O 3.37Å; C752-S767 WeakPolarHBondContact CA-O 3.34Å; C752-S767 PolarHBondContact SG-O 3.49Å |
| 753 | D | 80.8 | Confident | 82.2 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -31.2 | 176.7 | -86.2 | -17.6 | 0 | 0 | 0 | 113.3 | K708 S767 T769 R860 | K708-D753 WeakPolarHBondContact CE-OD1 3.28Å; K708-D753 PolarHBondContact N-O 2.97Å; K708-D753 IonicContact NZ-OD1 2.68Å; D753-S767 PolarHBondContact N-O 2.82Å; D753-T769 HydrophobicContact CB-CG2 4.18Å; D753-T769 WeakPolarHBondContact OD1-CG2 3.42Å; D753-R860 IonicContact OD2-NH1 3.32Å |
| 754 | L | 82.6 | Confident | 82 | Confident | 102 Ų | 102 | 47 Ų | 47 | 53% | 0.534 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 118.8 | -172.2 | 179.8 | 67.8 | 0 | 0 | 0 | 109.8 | C752 H766 S767 | C752-L754 PolarHBondContact SG-O 3.32Å; L754-H766 HydrophobicContact CD2-CB 4.14Å; L754-H766 HydrophobicContact CG-CB 4.3Å; L754-H766 PolarHBondContact O-N 3.1Å; L754-S767 PolarHBondContact O-N 3.4Å |
| 755 | C | 83.6 | Confident | 81.7 | Confident | 10 Ų | 10 | 47 Ų | 47 | 7% | 0.068 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 163.8 | -179.7 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | Y710 C748 A757 I764 | Y710-C755 WeakPolarHBondContact CB-O 3.41Å; C748-C755 WeakPolarHBondContact CA-SG 3.47Å; C748-C755 HydrophobicContact CB-CB 3.99Å; C748-C755 WeakPolarHBondContact CB-SG 3.23Å; C748-C755 WeakPolarHBondContact SG-CB 3.45Å; C748-C755 PolarHBondContact SG-N 3.46Å; C748-C755 VanDerWaalsContact SG-N 3.42Å; C748-C755 CovalentContact SG-SG 2.03Å; C748-C755 PolarHBondContact SG-SG 3.39Å; C755-A757 PolarHBondContact SG-O 2.79Å; C755-A757 VanDerWaalsContact SG-O 3.35Å; C755-I764 CarbonylContact C-O 3.6Å; C755-I764 WeakPolarHBondContact CA-O 3.4Å; C755-I764 HydrophobicContact CB-CG2 4.47Å; C755-I764 VanDerWaalsContact CB-O 3.26Å; C755-I764 WeakPolarHBondContact CB-O 3.47Å |
| 756 | T | 82.9 | Confident | 81.3 | Confident | 83 Ų | 83 | 51 Ų | 51 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -109.1 | -13.5 | 178.7 | 42.2 | 0 | 0 | 0 | 0 | 114.3 | I764 H766 | T756-I764 PolarHBondContact N-O 2.87Å; T756-I764 PolarHBondContact OG1-O 3.49Å; T756-H766 VanDerWaalsContact CG2-NE2 3.29Å; T756-H766 WeakPolarHBondContact CG2-NE2 3.44Å; T756-H766 PolarHBondContact OG1-NE2 3.47Å |
| 757 | A | 80.4 | Confident | 81 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -152.8 | 178 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y710 C755 G759 I764 | Y710-A757 VanDerWaalsContact CD1-C 3.48Å; Y710-A757 WeakPolarHBondContact CD1-O 3.49Å; Y710-A757 VanDerWaalsContact CD2-CA 3.41Å; C755-A757 PolarHBondContact SG-O 2.79Å; C755-A757 VanDerWaalsContact SG-O 3.35Å; A757-G759 PolarHBondContact O-N 3.14Å; A757-I764 VanDerWaalsContact C-CG2 3.49Å; A757-I764 HydrophobicContact CB-CD1 4.44Å; A757-I764 HydrophobicContact CB-CG1 4.25Å; A757-I764 HydrophobicContact CB-CG2 3.81Å; A757-I764 WeakPolarHBondContact O-CG2 3.47Å |
| 758 | N | 78.1 | Confident | 80.6 | Confident | 108 Ų | 108 | 47.6 Ų | 47.6 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -73.5 | 114 | 167.3 | -176.5 | 18 | 0 | 0 | 0 | 110.1 | Y710 | Y710-N758 HydrophobicContact CE1-CB 3.9Å; Y710-N758 VanDerWaalsContact CE1-N 3.32Å; Y710-N758 VanDerWaalsContact CZ-N 3.26Å; Y710-N758 WeakPolarHBondContact OH-CB 3.44Å |
| 759 | G | 74.7 | Confident | 80.4 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 167.4 | 161.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | A757 | A757-G759 PolarHBondContact O-N 3.14Š|
| 760 | T | 78.5 | Confident | 80.5 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.4 | -26.5 | 173.4 | 39 | 0 | 0 | 0 | 0 | 113.7 | H749 W772 E776 C777 | H749-T760 VanDerWaalsContact CE1-CG2 3.47Å; H749-T760 WeakPolarHBondContact CE1-CG2 3.4Å; T760-W772 WeakPolarHBondContact O-CZ3 3.48Å; T760-E776 WeakPolarHBondContact CB-OE1 3.09Å; T760-E776 CarbonylContact O-C 3.59Å; T760-E776 WeakPolarHBondContact O-CA 3.08Å; T760-E776 PolarHBondContact OG1-OE1 3.24Å; T760-C777 PolarHBondContact O-N 3.27Å |
| 761 | H | 80.7 | Confident | 80.5 | Confident | 88 Ų | 88 | 48.2 Ų | 48.2 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 151.3 | -164.3 | -78.5 | 67.2 | 0 | 0 | 0 | 113.9 | S763 I764 C765 S775 E776 | H761-S763 PolarHBondContact O-N 2.84Å; H761-I764 HydrophobicContact CB-CD1 4.4Å; H761-I764 CarbonylContact O-C 3.47Å; H761-I764 WeakPolarHBondContact O-CA 3.43Å; H761-I764 WeakPolarHBondContact O-CB 3.47Å; H761-I764 PolarHBondContact O-N 3.36Å; H761-C765 PolarHBondContact O-N 2.8Å; H761-S775 CarbonylContact C-O 3.47Å; H761-S775 VanDerWaalsContact CA-O 3.23Å; H761-S775 WeakPolarHBondContact CA-O 3.28Å; H761-E776 IonicContact CE1-OE1 3.41Å; H761-E776 PolarHBondContact CE1-OE1 3.47Å; H761-E776 IonicContact ND1-OE1 3.06Å; H761-E776 PolarHBondContact ND1-OE1 2.92Å |
| 762 | A | 76.2 | Confident | 80.4 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 40% | 0.397 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I764 W772 S775 | A762-I764 VanDerWaalsContact C-N 3.28Å; A762-W772 HydrophobicContact CB-CE3 4.45Å; A762-W772 HydrophobicContact CB-CH2 3.89Å; A762-W772 HydrophobicContact CB-CZ3 3.8Å; A762-S775 PolarHBondContact N-O 2.95Å |
| 763 | S | 80.5 | Confident | 80.2 | Confident | 89 Ų | 89 | 48.7 Ų | 48.7 | 62% | 0.622 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.7 | 168.6 | 48 | 0 | 0 | 0 | 0 | 113.4 | H761 | H761-S763 PolarHBondContact O-N 2.84Š|
| 764 | I | 81.6 | Confident | 79.9 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -52.7 | -171.5 | -65.8 | 175.1 | 0 | 0 | 0 | 110.7 | C755 T756 A757 H761 A762 | C755-I764 CarbonylContact C-O 3.6Å; C755-I764 WeakPolarHBondContact CA-O 3.4Å; C755-I764 HydrophobicContact CB-CG2 4.47Å; C755-I764 VanDerWaalsContact CB-O 3.26Å; C755-I764 WeakPolarHBondContact CB-O 3.47Å; T756-I764 PolarHBondContact N-O 2.87Å; T756-I764 PolarHBondContact OG1-O 3.49Å; A757-I764 VanDerWaalsContact C-CG2 3.49Å; A757-I764 HydrophobicContact CB-CD1 4.44Å; A757-I764 HydrophobicContact CB-CG1 4.25Å; A757-I764 HydrophobicContact CB-CG2 3.81Å; A757-I764 WeakPolarHBondContact O-CG2 3.47Å; H761-I764 HydrophobicContact CB-CD1 4.4Å; H761-I764 CarbonylContact O-C 3.47Å; H761-I764 WeakPolarHBondContact O-CA 3.43Å; H761-I764 WeakPolarHBondContact O-CB 3.47Å; H761-I764 PolarHBondContact O-N 3.36Å; A762-I764 VanDerWaalsContact C-N 3.28Å |
| 765 | C | 82.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 122.8 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | C752 H761 W772 | C752-C765 HydrophobicContact CB-CB 3.98Å; C752-C765 WeakPolarHBondContact CB-SG 3.42Å; C752-C765 WeakPolarHBondContact SG-CA 3.23Å; C752-C765 WeakPolarHBondContact SG-CB 3.26Å; C752-C765 CovalentContact SG-SG 2.03Å; C752-C765 PolarHBondContact SG-SG 3.26Å; H761-C765 PolarHBondContact O-N 2.8Å; C765-W772 HydrophobicContact CB-CH2 3.96Å; C765-W772 VanDerWaalsContact O-CH2 3.28Å; C765-W772 WeakPolarHBondContact O-CH2 3.33Å |
| 766 | H | 80.7 | Confident | 79.4 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 40% | 0.403 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -20.1 | 179.4 | -57.7 | -37 | 0 | 0 | 0 | 112.8 | L754 T756 Q862 | L754-H766 HydrophobicContact CD2-CB 4.14Å; L754-H766 HydrophobicContact CG-CB 4.3Å; L754-H766 PolarHBondContact O-N 3.1Å; T756-H766 VanDerWaalsContact CG2-NE2 3.29Å; T756-H766 WeakPolarHBondContact CG2-NE2 3.44Å; T756-H766 PolarHBondContact OG1-NE2 3.47Å; H766-Q862 PolarHBondContact O-NE2 2.98Å |
| 767 | S | 80.4 | Confident | 79.4 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 100.9 | 174.9 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | C752 D753 L754 | C752-S767 CarbonylContact C-O 3.37Å; C752-S767 WeakPolarHBondContact CA-O 3.34Å; C752-S767 PolarHBondContact SG-O 3.49Å; D753-S767 PolarHBondContact N-O 2.82Å; L754-S767 PolarHBondContact O-N 3.4Å |
| 768 | C | 78.9 | Confident | 79.5 | Confident | 13 Ų | 13 | 50 Ų | 50 | 9% | 0.088 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 111 | W772 C777 | C768-W772 HydrophobicContact CB-CD2 4.22Å; C768-W772 HydrophobicContact CB-CZ2 3.89Å; C768-C777 WeakPolarHBondContact CA-SG 3.47Å; C768-C777 HydrophobicContact CB-CB 3.69Å; C768-C777 WeakPolarHBondContact CB-SG 3.05Å; C768-C777 VanDerWaalsContact SG-CA 3.6Å; C768-C777 WeakPolarHBondContact SG-CB 3.32Å; C768-C777 CovalentContact SG-SG 2.03Å; C768-C777 PolarHBondContact SG-SG 2.95Å |
| 769 | T | 80 | Confident | 79.5 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -84 | -20.2 | 176.2 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | F751 D753 | F751-T769 VanDerWaalsContact C-OG1 3.29Å; F751-T769 WeakPolarHBondContact CA-OG1 3.18Å; F751-T769 PolarHBondContact O-N 3.38Å; F751-T769 PolarHBondContact O-OG1 3.35Å; D753-T769 HydrophobicContact CB-CG2 4.18Å; D753-T769 WeakPolarHBondContact OD1-CG2 3.42Å |
| 770 | H | 80.8 | Confident | 79.6 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -111.8 | -117.9 | 178.8 | -64.2 | -100.8 | 0 | 0 | 0 | 110.1 | F751 V778 E779 | F751-H770 AromaticContact CD1-CD2 3.6Å; F751-H770 AromaticContact CD1-NE2 3.7Å; F751-H770 AromaticContact CG-CD2 3.91Å; H770-V778 WeakPolarHBondContact CB-O 3.25Å; H770-E779 WeakPolarHBondContact CB-O 3.37Å; H770-E779 PolarHBondContact ND1-O 2.7Å |
| 771 | W | 80.8 | Confident | 79.5 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.1 | -172.6 | -57.1 | 83.5 | 0 | 0 | 0 | 112.5 | V778 C781 R863 C865 | W771-V778 PolarHBondContact N-O 2.84Å; W771-V778 WeakPolarHBondContact O-CG2 3.29Å; W771-V778 PolarHBondContact O-N 3.12Å; W771-C781 WeakPolarHBondContact CB-SG 3.28Å; W771-R863 HydrophobicContact CD2-CB 3.93Å; W771-R863 HydrophobicContact CE3-CB 3.67Å; W771-R863 HydrophobicContact CG-CB 4.47Å; W771-R863 HydrophobicContact CZ3-CB 4Å; W771-C865 WeakPolarHBondContact CB-SG 3.26Å |
| 772 | W | 81.5 | Confident | 79 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.106 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.2 | 168 | -76.7 | 113.8 | 0 | 0 | 0 | 112.1 | T760 A762 C765 C768 E776 C777 R863 R864 C865 | T760-W772 WeakPolarHBondContact O-CZ3 3.48Å; A762-W772 HydrophobicContact CB-CE3 4.45Å; A762-W772 HydrophobicContact CB-CH2 3.89Å; A762-W772 HydrophobicContact CB-CZ3 3.8Å; C765-W772 HydrophobicContact CB-CH2 3.96Å; C765-W772 VanDerWaalsContact O-CH2 3.28Å; C765-W772 WeakPolarHBondContact O-CH2 3.33Å; C768-W772 HydrophobicContact CB-CD2 4.22Å; C768-W772 HydrophobicContact CB-CZ2 3.89Å; W772-E776 WeakPolarHBondContact CA-O 3.29Å; W772-E776 VanDerWaalsContact CZ3-C 3.5Å; W772-C777 HydrophobicContact CE3-CB 4.2Å; W772-C777 HydrophobicContact CH2-CB 4.14Å; W772-C777 HydrophobicContact CZ3-CB 3.94Å; W772-R863 PolarHBondContact N-O 2.99Å; W772-R864 HydrophobicContact CB-CG 4.18Å; W772-C865 PolarHBondContact O-N 2.9Å |
| 773 | F | 78.8 | Confident | 78.7 | Confident | 21 Ų | 21 | 54 Ų | 54 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 125.4 | 172.6 | 172.9 | -112.1 | 0 | 0 | 0 | 110.3 | S775 E776 V778 P782 E785 T786 C865 L867 | F773-S775 PolarHBondContact O-N 3.5Å; F773-E776 PolarHBondContact N-O 3.5Å; F773-E776 WeakPolarHBondContact O-CA 3.35Å; F773-E776 PolarHBondContact O-N 3.37Å; F773-E776 VanDerWaalsContact O-O 3.1Å; F773-V778 HydrophobicContact CB-CG2 3.76Å; F773-P782 HydrophobicContact CD1-CG 3.59Å; F773-P782 HydrophobicContact CD2-CG 3.93Å; F773-P782 HydrophobicContact CE1-CG 3.46Å; F773-P782 VanDerWaalsContact CE1-CG 3.46Å; F773-P782 HydrophobicContact CE2-CG 3.82Å; F773-P782 HydrophobicContact CG-CG 3.79Å; F773-P782 HydrophobicContact CZ-CG 3.54Å; F773-E785 HydrophobicContact CE2-CB 4.25Å; F773-E785 HydrophobicContact CZ-CB 4.02Å; F773-T786 HydrophobicContact CD2-CG2 3.42Å; F773-T786 VanDerWaalsContact CD2-CG2 3.42Å; F773-T786 HydrophobicContact CE2-CG2 3.31Å; F773-T786 HydrophobicContact CZ-CG2 4.4Å; F773-C865 HydrophobicContact CB-CB 4.28Å; F773-C865 HydrophobicContact CD2-CB 4.27Å; F773-L867 HydrophobicContact CE2-CD2 3.91Å |
| 774 | K | 74.5 | Confident | 78 | Confident | 127 Ų | 127 | 51.9 Ų | 51.9 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 37.9 | 179 | -64.8 | -179.6 | -175.4 | 165.5 | 0 | 114.7 | E776 E785 | K774-E776 VanDerWaalsContact C-N 3.3Å; K774-E776 PolarHBondContact O-N 3.39Å; K774-E785 WeakPolarHBondContact CE-OE2 3.45Å; K774-E785 IonicContact NZ-OE1 2.59Å; K774-E785 PolarHBondContact NZ-OE1 2.75Å; K774-E785 IonicContact NZ-OE2 3.39Å; K774-E785 PolarHBondContact NZ-OE2 3.3Å |
| 775 | S | 75.3 | Confident | 77.4 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 54% | 0.538 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 18.4 | -174.9 | -50.4 | 0 | 0 | 0 | 0 | 115.8 | H761 A762 F773 | H761-S775 CarbonylContact C-O 3.47Å; H761-S775 VanDerWaalsContact CA-O 3.23Å; H761-S775 WeakPolarHBondContact CA-O 3.28Å; A762-S775 PolarHBondContact N-O 2.95Å; F773-S775 PolarHBondContact O-N 3.5Å |
| 776 | E | 79.6 | Confident | 77.1 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.1 | 166 | -69.2 | -161.2 | 115.8 | 0 | 0 | 111.5 | T760 H761 W772 F773 K774 V778 | T760-E776 WeakPolarHBondContact CB-OE1 3.09Å; T760-E776 CarbonylContact O-C 3.59Å; T760-E776 WeakPolarHBondContact O-CA 3.08Å; T760-E776 PolarHBondContact OG1-OE1 3.24Å; H761-E776 IonicContact CE1-OE1 3.41Å; H761-E776 PolarHBondContact CE1-OE1 3.47Å; H761-E776 IonicContact ND1-OE1 3.06Å; H761-E776 PolarHBondContact ND1-OE1 2.92Å; W772-E776 WeakPolarHBondContact CA-O 3.29Å; W772-E776 VanDerWaalsContact CZ3-C 3.5Å; F773-E776 PolarHBondContact N-O 3.5Å; F773-E776 WeakPolarHBondContact O-CA 3.35Å; F773-E776 PolarHBondContact O-N 3.37Å; F773-E776 VanDerWaalsContact O-O 3.1Å; K774-E776 VanDerWaalsContact C-N 3.3Å; K774-E776 PolarHBondContact O-N 3.39Å; E776-V778 HydrophobicContact CB-CG1 4.49Å |
| 777 | C | 83.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 118.6 | 173.1 | 177.7 | 0 | 0 | 0 | 0 | 111 | F751 T760 C768 W772 | F751-C777 PolarHBondContact O-SG 2.88Å; T760-C777 PolarHBondContact O-N 3.27Å; C768-C777 WeakPolarHBondContact CA-SG 3.47Å; C768-C777 HydrophobicContact CB-CB 3.69Å; C768-C777 WeakPolarHBondContact CB-SG 3.05Å; C768-C777 VanDerWaalsContact SG-CA 3.6Å; C768-C777 WeakPolarHBondContact SG-CB 3.32Å; C768-C777 CovalentContact SG-SG 2.03Å; C768-C777 PolarHBondContact SG-SG 2.95Å; W772-C777 HydrophobicContact CE3-CB 4.2Å; W772-C777 HydrophobicContact CH2-CB 4.14Å; W772-C777 HydrophobicContact CZ3-CB 3.94Å |
| 778 | V | 81.1 | Confident | 75.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.176 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142.7 | -172.8 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | H770 W771 F773 E776 I780 | H770-V778 WeakPolarHBondContact CB-O 3.25Å; W771-V778 PolarHBondContact N-O 2.84Å; W771-V778 WeakPolarHBondContact O-CG2 3.29Å; W771-V778 PolarHBondContact O-N 3.12Å; F773-V778 HydrophobicContact CB-CG2 3.76Å; E776-V778 HydrophobicContact CB-CG1 4.49Å; V778-I780 VanDerWaalsContact C-N 3.33Å; V778-I780 PolarHBondContact O-N 2.94Å |
| 779 | E | 79.7 | Confident | 75 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -57.8 | -44.6 | -177.2 | -158.6 | 178.7 | 163.9 | 0 | 0 | 113.2 | F751 H770 | F751-E779 HydrophobicContact CD1-CB 4.02Å; F751-E779 HydrophobicContact CD1-CG 4.07Å; F751-E779 HydrophobicContact CD2-CB 4.22Å; F751-E779 HydrophobicContact CE1-CB 3.6Å; F751-E779 HydrophobicContact CE1-CG 3.59Å; F751-E779 WeakPolarHBondContact CE1-OE2 3.32Å; F751-E779 HydrophobicContact CE2-CB 3.81Å; F751-E779 HydrophobicContact CG-CB 4.36Å; F751-E779 HydrophobicContact CZ-CB 3.52Å; F751-E779 HydrophobicContact CZ-CG 3.97Å; F751-E779 WeakPolarHBondContact CZ-OE2 3.47Å; H770-E779 WeakPolarHBondContact CB-O 3.37Å; H770-E779 PolarHBondContact ND1-O 2.7Å |
| 780 | I | 76.4 | Confident | 73.5 | Confident | 119 Ų | 119 | 64.1 Ų | 64.1 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -132.2 | 128.7 | -176.6 | -55.9 | 175.9 | 0 | 0 | 0 | 104.9 | V778 | V778-I780 VanDerWaalsContact C-N 3.33Å; V778-I780 PolarHBondContact O-N 2.94Å |
| 781 | C | 75.7 | Confident | 71.7 | Confident | 14 Ų | 14 | 65 Ų | 65 | 10% | 0.095 | 38% | 0.381 | C | S | . | . | trans | -53 | 122.4 | 169.5 | -73 | 0 | 0 | 0 | 0 | 109 | W771 P783 T786 C865 | W771-C781 WeakPolarHBondContact CB-SG 3.28Å; C781-P783 VanDerWaalsContact O-CD 3.28Å; C781-P783 WeakPolarHBondContact O-CD 3.45Å; C781-T786 VanDerWaalsContact C-OG1 3.23Å; C781-T786 WeakPolarHBondContact CB-OG1 2.98Å; C781-C865 WeakPolarHBondContact CA-SG 3.03Å; C781-C865 HydrophobicContact CB-CB 3.76Å; C781-C865 WeakPolarHBondContact CB-SG 3.06Å; C781-C865 WeakPolarHBondContact SG-CA 3.1Å; C781-C865 WeakPolarHBondContact SG-CB 3.32Å; C781-C865 CovalentContact SG-SG 2.03Å; C781-C865 PolarHBondContact SG-SG 2.59Å | ||
| 782 | P | 71.1 | Confident | 69.6 | Low | 32 Ų | 32 | 67 Ų | 67 | 21% | 0.208 | 40% | 0.404 | C | S | . | . | trans | -59.2 | 113.1 | -168.5 | 19.5 | -30.4 | 0 | 0 | 0 | 109.3 | F773 A784 E785 T786 | F773-P782 HydrophobicContact CD1-CG 3.59Å; F773-P782 HydrophobicContact CD2-CG 3.93Å; F773-P782 HydrophobicContact CE1-CG 3.46Å; F773-P782 VanDerWaalsContact CE1-CG 3.46Å; F773-P782 HydrophobicContact CE2-CG 3.82Å; F773-P782 HydrophobicContact CG-CG 3.79Å; F773-P782 HydrophobicContact CZ-CG 3.54Å; P782-A784 PolarHBondContact O-N 3.01Å; P782-E785 PolarHBondContact O-N 2.92Å; P782-T786 WeakPolarHBondContact CD-OG1 3.41Å; P782-T786 HydrophobicContact CG-CG2 4.36Å; P782-T786 PolarHBondContact O-N 2.87Å; P782-T786 VanDerWaalsContact O-N 3.11Å; P782-T786 PolarHBondContact O-OG1 2.87Å | ||
| 783 | P | 69.7 | Low | 67.5 | Low | 97 Ų | 97 | 71.1 Ų | 71.1 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.5 | -167.5 | 26.3 | -35.3 | 0 | 0 | 0 | 111.9 | C781 E785 G875 | C781-P783 VanDerWaalsContact O-CD 3.28Å; C781-P783 WeakPolarHBondContact O-CD 3.45Å; P783-E785 VanDerWaalsContact C-N 3.35Å; P783-G875 WeakPolarHBondContact O-CA 3.43Å |
| 784 | A | 66.2 | Low | 65.5 | Low | 44 Ų | 44 | 79.4 Ų | 79.4 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -15.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P782 Q874 G875 | P782-A784 PolarHBondContact O-N 3.01Å; A784-Q874 VanDerWaalsContact CA-C 3.46Å; A784-Q874 PolarHBondContact O-N 2.56Å; A784-G875 PolarHBondContact O-N 3.23Å |
| 785 | E | 67.7 | Low | 63.7 | Low | 84 Ų | 84 | 82.2 Ų | 82.2 | 39% | 0.393 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | -4.6 | -171 | -63.5 | -164.3 | -116.1 | 0 | 0 | 114.3 | F773 K774 P782 P783 C868 | F773-E785 HydrophobicContact CE2-CB 4.25Å; F773-E785 HydrophobicContact CZ-CB 4.02Å; K774-E785 WeakPolarHBondContact CE-OE2 3.45Å; K774-E785 IonicContact NZ-OE1 2.59Å; K774-E785 PolarHBondContact NZ-OE1 2.75Å; K774-E785 IonicContact NZ-OE2 3.39Å; K774-E785 PolarHBondContact NZ-OE2 3.3Å; P782-E785 PolarHBondContact O-N 2.92Å; P783-E785 VanDerWaalsContact C-N 3.35Å; E785-C868 PolarHBondContact O-N 2.89Å; E785-C868 PolarHBondContact O-SG 3.17Å |
| 786 | T | 76.5 | Confident | 61.8 | Low | 7 Ų | 7 | 86 Ų | 86 | 4% | 0.043 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 158.5 | -170.1 | 54.5 | 0 | 0 | 0 | 0 | 115.6 | F773 C781 P782 C865 L866 L867 C868 | F773-T786 HydrophobicContact CD2-CG2 3.42Å; F773-T786 VanDerWaalsContact CD2-CG2 3.42Å; F773-T786 HydrophobicContact CE2-CG2 3.31Å; F773-T786 HydrophobicContact CZ-CG2 4.4Å; C781-T786 VanDerWaalsContact C-OG1 3.23Å; C781-T786 WeakPolarHBondContact CB-OG1 2.98Å; P782-T786 WeakPolarHBondContact CD-OG1 3.41Å; P782-T786 HydrophobicContact CG-CG2 4.36Å; P782-T786 PolarHBondContact O-N 2.87Å; P782-T786 VanDerWaalsContact O-N 3.11Å; P782-T786 PolarHBondContact O-OG1 2.87Å; T786-C865 HydrophobicContact CG2-CB 3.75Å; T786-L866 CarbonylContact C-O 3.59Å; T786-L866 WeakPolarHBondContact CA-O 3.18Å; T786-L866 WeakPolarHBondContact CB-O 3.22Å; T786-L866 WeakPolarHBondContact CG2-O 3.48Å; T786-L867 HydrophobicContact CG2-CD2 4.37Å; T786-C868 PolarHBondContact N-SG 3.04Å |
| 787 | Y | 76.7 | Confident | 59.5 | Low | 56 Ų | 56 | 90 Ų | 90 | 22% | 0.22 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 171.7 | 172.5 | 74.4 | -81.3 | 0 | 0 | 0 | 111.8 | L866 L867 P879 | Y787-L866 HydrophobicContact CD1-CB 3.8Å; Y787-L866 HydrophobicContact CD2-CB 4.27Å; Y787-L866 HydrophobicContact CD2-CD1 4.19Å; Y787-L866 HydrophobicContact CE1-CB 3.46Å; Y787-L866 VanDerWaalsContact CE1-CB 3.46Å; Y787-L866 HydrophobicContact CE1-CD1 4.49Å; Y787-L866 HydrophobicContact CE2-CB 3.98Å; Y787-L866 HydrophobicContact CE2-CD1 3.54Å; Y787-L866 HydrophobicContact CE2-CG 4.41Å; Y787-L866 HydrophobicContact CG-CB 4.19Å; Y787-L866 PolarHBondContact N-O 3.11Å; Y787-L866 PolarHBondContact O-N 2.59Å; Y787-L866 VanDerWaalsContact O-N 3.16Å; Y787-L867 WeakPolarHBondContact CE1-O 3.49Å; Y787-P879 HydrophobicContact CE1-CB 4.41Å |
| 788 | S | 60.3 | Low | 57.1 | Low | 69 Ų | 69 | 96.7 Ų | 96.7 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | trans | -144.9 | 160.4 | -177.5 | 64.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 789 | L | 58.8 | Low | 54.8 | Low | 142 Ų | 142 | 104.3 Ų | 104.3 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | trans | -106.1 | 138 | 175.6 | -73.2 | 163.4 | 0 | 0 | 0 | 109.9 | L866 | L789-L866 HydrophobicContact CD1-CD1 4.18Å; L789-L866 HydrophobicContact CG-CD1 4.39Å | ||
| 790 | A | 48.6 | Very low | 52.5 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 93% | 0.926 | 61% | 0.605 | S | S | * | * | trans | -107.6 | 123.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 791 | G | 43.8 | Very low | 50.2 | Low | 79 Ų | 79 | 110.8 Ų | 110.8 | 81% | 0.814 | 62% | 0.615 | S | S | * | * | trans | 132.1 | 99.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 792 | S | 35 | Very low | 48.1 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | trans | -155.3 | 0.1 | 161.8 | 64.5 | 0 | 0 | 0 | 0 | 115.5 | K794 | S792-K794 PolarHBondContact O-N 2.92Š| ||
| 793 | D | 38.3 | Very low | 46.2 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -96.8 | 66.4 | -164.9 | -65 | -7.2 | 0 | 0 | 0 | 112.1 | R863 | D793-R863 IonicContact OD1-NH2 2.73Å; D793-R863 PolarHBondContact OD1-NH2 2.83Å; D793-R863 IonicContact OD2-CZ 3.28Å; D793-R863 IonicContact OD2-NH1 3.77Å; D793-R863 IonicContact OD2-NH2 3.96Å; D793-R863 PolarHBondContact OD2-NH2 2.99Å | ||
| 794 | K | 36.5 | Very low | 44.4 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | trans | -150.9 | 137 | 168.2 | -71.1 | -168.7 | 178.8 | -178.3 | 0 | 112.1 | S792 | S792-K794 PolarHBondContact O-N 2.92Š| ||
| 795 | E | 36.6 | Very low | 42.7 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | 123.1 | 154.1 | 160.9 | -70.9 | -175 | 167.9 | 0 | 0 | 116 | ||||
| 796 | L | 35 | Very low | 41.2 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | trans | 68.5 | 62.2 | 174.3 | -69.6 | 142.8 | 0 | 0 | 0 | 117.3 | ||||
| 797 | D | 32.7 | Very low | 39 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -84.1 | 164.1 | 131.8 | -127.4 | -35 | 0 | 0 | 0 | 109.2 | ||||
| 798 | N | 32.5 | Very low | 36.6 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 76.6 | 111 | -175.7 | -43.1 | -81.6 | 0 | 0 | 0 | 117.2 | ||||
| 799 | Q | 33.2 | Very low | 35.3 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | -176.3 | 123.5 | 116.6 | -101.2 | 179.3 | -67.2 | 0 | 0 | 111 | |||||
| 800 | E | 30.9 | Very low | 34.1 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -103.3 | 158.2 | 164.9 | -68.3 | -174.2 | 122.7 | 0 | 0 | 110.4 | ||||
| 801 | M | 29 | Very low | 33 | Very low | 168 Ų | 168 | 149.1 Ų | 149.1 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | 71.2 | 166.2 | 168.4 | -150.6 | 167.5 | 67.4 | 0 | 0 | 116 | ||||
| 802 | F | 30.5 | Very low | 32.3 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 136.9 | -156.7 | -68.6 | -100.4 | 0 | 0 | 0 | 113.2 | ||||
| 803 | E | 32.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | cis | -143.5 | 129.6 | 6 | -156.9 | 152.8 | -132.4 | 0 | 0 | 111.7 | D805 | E803-D805 PolarHBondContact O-N 2.79Š| ||
| 804 | N | 30.7 | Very low | 31.7 | Very low | 167 Ų | 167 | 157.3 Ų | 157.3 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -89.9 | 82.5 | 166.8 | -88.9 | -37.8 | 0 | 0 | 0 | 108.3 | ||||
| 805 | D | 31.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 158 Ų | 158 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -165.2 | 101.9 | 163.3 | -104.3 | -31.3 | 0 | 0 | 0 | 112 | E803 | E803-D805 PolarHBondContact O-N 2.79Š| ||
| 806 | L | 35 | Very low | 30.9 | Very low | 154 Ų | 154 | 153.7 Ų | 153.7 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -172.8 | 54.6 | 141.5 | -103.6 | 160.9 | 0 | 0 | 0 | 111.9 | ||||
| 807 | I | 30.1 | Very low | 30.5 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -63 | 161 | 143.9 | -69.4 | 172.2 | 0 | 0 | 0 | 107.6 | ||||
| 808 | T | 27.6 | Very low | 30.3 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 64.5 | 76.9 | 176.7 | 36.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 809 | L | 32.5 | Very low | 30.5 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -172.1 | 112.6 | 135.6 | -100.5 | 165.8 | 0 | 0 | 0 | 108.6 | ||
| 810 | S | 32.6 | Very low | 30.2 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | cis | -147.1 | 139.6 | -5.7 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 811 | N | 25.9 | Very low | 30.1 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -63 | 168.4 | 157.3 | -75.6 | -39.6 | 0 | 0 | 0 | 110.5 | ||||
| 812 | N | 30.2 | Very low | 30 | Very low | 153 Ų | 153 | 152 Ų | 152 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 83.3 | 126.9 | -175.7 | -46.1 | -35.5 | 0 | 0 | 0 | 112.7 | ||||
| 813 | T | 33 | Very low | 30 | Very low | 135 Ų | 135 | 153.9 Ų | 153.9 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | cis | -133 | 156.4 | 5.8 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 814 | Q | 26.6 | Very low | 29.8 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -63.7 | 142.8 | 167.3 | -59 | 153.8 | -35 | 0 | 0 | 110 | ||||
| 815 | F | 30.1 | Very low | 29.6 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | -160.8 | 145.5 | 125.1 | -118.9 | -80.5 | 0 | 0 | 0 | 110.9 | |||||
| 816 | S | 26.3 | Very low | 29.8 | Very low | 96 Ų | 96 | 153 Ų | 153 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -94 | 169.6 | 171.8 | 90.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 817 | S | 26.9 | Very low | 29.7 | Very low | 93 Ų | 93 | 149.9 Ų | 149.9 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | cis | -159.5 | 177.4 | 2 | 23.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 818 | N | 28.7 | Very low | 29.8 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 75.4 | 119.7 | 165.1 | -67.4 | -18.4 | 0 | 0 | 0 | 119 | ||
| 819 | Q | 36.5 | Very low | 30.1 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 66.7 | 46.4 | 152 | -45.4 | -52.5 | -12.1 | 0 | 0 | 120 | K821 | Q819-K821 PolarHBondContact O-N 3.18Š| ||
| 820 | L | 27.3 | Very low | 30.2 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | trans | -77.3 | 99.7 | 154.2 | -98.2 | 157.3 | 0 | 0 | 0 | 110.4 | ||||
| 821 | K | 28.9 | Very low | 30.2 | Very low | 199 Ų | 199 | 148 Ų | 148 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -158.1 | 11.7 | 167.2 | -119.3 | 163.1 | -170.5 | 177.6 | 0 | 118.6 | Q819 | Q819-K821 PolarHBondContact O-N 3.18Š| ||
| 822 | E | 26.9 | Very low | 30.4 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -133.4 | 127.7 | 165.7 | -72.7 | -172.2 | 125.3 | 0 | 0 | 110 | ||||
| 823 | F | 29.2 | Very low | 30.5 | Very low | 214 Ų | 214 | 144.4 Ų | 144.4 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -162.5 | 99 | 150.1 | -115.8 | -70.4 | 0 | 0 | 0 | 110.4 | ||||
| 824 | T | 29.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -74.5 | 158.7 | 161.8 | 48.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 825 | F | 27.3 | Very low | 30.8 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | -176 | 169.8 | 115.7 | -129.5 | -108.3 | 0 | 0 | 0 | 114.5 | |||||
| 826 | L | 34.4 | Very low | 30.7 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 74.7 | 131.7 | 171.9 | -55.4 | 173.3 | 0 | 0 | 0 | 117 | ||||
| 827 | S | 34.1 | Very low | 31 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | cis | -162.9 | 130.5 | -10.1 | 53 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 828 | N | 32 | Very low | 31 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 53.1 | 129.1 | 138.7 | -52.8 | -11.4 | 0 | 0 | 0 | 121.7 | ||||
| 829 | V | 34.4 | Very low | 31.1 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | -175 | 125.2 | 94.4 | 152.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 830 | S | 34 | Very low | 30.7 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 29 | 143.2 | 140.8 | -46.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 831 | T | 31.6 | Very low | 30.8 | Very low | 121 Ų | 121 | 142 Ų | 142 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 177.8 | 152.7 | 17.1 | 13.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 832 | T | 30.9 | Very low | 30.8 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | cis | -167.9 | 175 | -9.1 | 5.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 833 | T | 32.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | 69.1 | 93.1 | 151 | 46.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 834 | N | 32.2 | Very low | 30.7 | Very low | 156 Ų | 156 | 135.9 Ų | 135.9 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | 86.3 | 133 | 115.4 | -63.8 | 3.5 | 0 | 0 | 0 | 123.6 | |||||
| 835 | A | 33.8 | Very low | 30.5 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 85.4 | 78.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 836 | S | 28.2 | Very low | 30.4 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 34.3 | 122.5 | 128.3 | 61 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 837 | I | 31.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | -162.4 | 164.5 | 105.8 | -97.2 | 158.1 | 0 | 0 | 0 | 108.4 | |||||
| 838 | D | 28.6 | Very low | 29.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -66.1 | -179.9 | -173.9 | -70.9 | -72.7 | 0 | 0 | 0 | 116 | ||||
| 839 | D | 29.7 | Very low | 29.6 | Very low | 153 Ų | 153 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 74.1 | 89.8 | -176.4 | -75.1 | -26.7 | 0 | 0 | 0 | 117.6 | ||||
| 840 | N | 28.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -125.5 | 123.1 | 148 | -78.4 | -66.4 | 0 | 0 | 0 | 106.7 | ||||
| 841 | Q | 29.2 | Very low | 29.3 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | cis | 59.3 | 116.1 | 49.7 | -62.8 | -154.8 | 7.3 | 0 | 0 | 115.6 | ||||
| 842 | Q | 28.6 | Very low | 29.6 | Very low | 149 Ų | 149 | 135 Ų | 135 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 34.6 | 124.8 | 138.2 | -74.3 | 172.3 | -108.6 | 0 | 0 | 121.8 | ||||
| 843 | E | 27.7 | Very low | 29.6 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | 79.6 | 123.1 | 128.6 | -72.1 | -177 | 86.2 | 0 | 0 | 122.2 | |||||
| 844 | Y | 25.9 | Very low | 29.6 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | trans | 52.1 | 108.9 | 139.9 | -69.2 | -57.9 | 0 | 0 | 0 | 118.4 | ||||
| 845 | K | 25.9 | Very low | 29.5 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 79% | 0.787 | 78% | 0.784 | S | S | * | * | -179.6 | 159.6 | 66.2 | -112.1 | 156.5 | -177.9 | 171.7 | 0 | 115.5 | |||||
| 846 | T | 25.7 | Very low | 29.4 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | 55.6 | 120.6 | 148 | 53 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 847 | S | 27.3 | Very low | 29.7 | Very low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 62.4 | 145.3 | 135.1 | 63.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 848 | S | 28.2 | Very low | 29.9 | Very low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -176.5 | 133.9 | -17 | 49.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 849 | L | 28 | Very low | 30 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -162.2 | 95.9 | 166.6 | -110.4 | 154.2 | 0 | 0 | 0 | 110.6 | ||||
| 850 | A | 30.3 | Very low | 30.7 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | trans | -150 | 98.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 851 | A | 31.2 | Very low | 31.7 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -164.4 | 162.7 | 175 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 852 | P | 37.6 | Very low | 33 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -135.4 | 121 | -0.7 | 33.8 | -13.5 | 0 | 0 | 0 | 114.7 | ||||
| 853 | V | 31.3 | Very low | 34.9 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -141.1 | 58.1 | 162.2 | -162.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 854 | F | 31.9 | Very low | 36.9 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -157.7 | 38.9 | 157.2 | -124.7 | -75.2 | 0 | 0 | 0 | 114.6 | ||||
| 855 | L | 29.5 | Very low | 39.3 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 85% | 0.848 | 73% | 0.727 | S | S | * | * | trans | -105.8 | 63.1 | 171.6 | -80.4 | 176.4 | 0 | 0 | 0 | 111.9 | ||||
| 856 | I | 33.1 | Very low | 41.7 | Very low | 139 Ų | 139 | 133 Ų | 133 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | -161.4 | 136.9 | 166.3 | -96.5 | 137.5 | 0 | 0 | 0 | 107.5 | ||||
| 857 | K | 33.3 | Very low | 44.1 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 69.8 | 127.6 | -168 | -52.5 | 172.5 | -176.6 | 178.8 | 0 | 113.1 | ||
| 858 | L | 35.9 | Very low | 46.5 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 80% | 0.801 | 67% | 0.67 | S | S | * | * | cis | -130.3 | 141.5 | -6.5 | -67.6 | 93.9 | 0 | 0 | 0 | 111 | R860 | L858-R860 PolarHBondContact O-N 2.75Š| ||
| 859 | K | 31.8 | Very low | 49 | Very low | 218 Ų | 218 | 126.3 Ų | 126.3 | 95% | 0.948 | 65% | 0.648 | S | S | * | * | trans | -81.5 | 97.7 | 161.7 | -71.8 | -179.2 | 178.1 | 177.5 | 0 | 109.2 | ||||
| 860 | R | 43.5 | Very low | 51.6 | Low | 189 Ų | 189 | 123.5 Ų | 123.5 | 71% | 0.713 | 63% | 0.63 | S | S | * | * | trans | -87.5 | 130.8 | 163.9 | -90.4 | -175.2 | 170.9 | 166.7 | -1.4 | 110.3 | D753 L858 Q862 | D753-R860 IonicContact OD2-NH1 3.32Å; L858-R860 PolarHBondContact O-N 2.75Å; R860-Q862 PolarHBondContact O-N 2.85Å | ||
| 861 | T | 49.1 | Very low | 54.1 | Low | 141 Ų | 141 | 119 Ų | 119 | 87% | 0.865 | 59% | 0.591 | S | S | * | * | trans | -74 | 104.2 | 176.9 | 31.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 862 | Q | 57.2 | Low | 56.3 | Low | 84 Ų | 84 | 115.2 Ų | 115.2 | 39% | 0.393 | 56% | 0.558 | S | S | . | * | trans | -74.4 | 129.8 | -178.5 | -63.5 | -175.7 | -15.6 | 0 | 0 | 111.7 | H766 R860 | H766-Q862 PolarHBondContact O-NE2 2.98Å; R860-Q862 PolarHBondContact O-N 2.85Å | ||
| 863 | R | 68.6 | Low | 58 | Low | 107 Ų | 107 | 113.1 Ų | 113.1 | 40% | 0.404 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 142.5 | 178.9 | -57.5 | 174.4 | 171.5 | -176.7 | -8.2 | 110.1 | W771 W772 D793 | W771-R863 HydrophobicContact CD2-CB 3.93Å; W771-R863 HydrophobicContact CE3-CB 3.67Å; W771-R863 HydrophobicContact CG-CB 4.47Å; W771-R863 HydrophobicContact CZ3-CB 4Å; W772-R863 PolarHBondContact N-O 2.99Å; D793-R863 IonicContact OD1-NH2 2.73Å; D793-R863 PolarHBondContact OD1-NH2 2.83Å; D793-R863 IonicContact OD2-CZ 3.28Å; D793-R863 IonicContact OD2-NH1 3.77Å; D793-R863 IonicContact OD2-NH2 3.96Å; D793-R863 PolarHBondContact OD2-NH2 2.99Å |
| 864 | R | 69.8 | Low | 60 | Low | 184 Ų | 184 | 112.1 Ų | 112.1 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 140 | -176 | -68.5 | -178 | 172.6 | 179.2 | -2.3 | 110.9 | W772 | W772-R864 HydrophobicContact CB-CG 4.18Å |
| 865 | C | 75.2 | Confident | 61.8 | Low | 18 Ų | 18 | 103.1 Ų | 103.1 | 12% | 0.122 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 142.4 | 174.6 | -52.8 | 0 | 0 | 0 | 0 | 111.3 | W771 W772 F773 C781 T786 | W771-C865 WeakPolarHBondContact CB-SG 3.26Å; W772-C865 PolarHBondContact O-N 2.9Å; F773-C865 HydrophobicContact CB-CB 4.28Å; F773-C865 HydrophobicContact CD2-CB 4.27Å; C781-C865 WeakPolarHBondContact CA-SG 3.03Å; C781-C865 HydrophobicContact CB-CB 3.76Å; C781-C865 WeakPolarHBondContact CB-SG 3.06Å; C781-C865 WeakPolarHBondContact SG-CA 3.1Å; C781-C865 WeakPolarHBondContact SG-CB 3.32Å; C781-C865 CovalentContact SG-SG 2.03Å; C781-C865 PolarHBondContact SG-SG 2.59Å; T786-C865 HydrophobicContact CG2-CB 3.75Å |
| 866 | L | 76.7 | Confident | 64.3 | Low | 65 Ų | 65 | 96.1 Ų | 96.1 | 34% | 0.34 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.5 | 174.8 | -56.9 | 174.9 | 0 | 0 | 0 | 109.2 | T786 Y787 L789 | T786-L866 CarbonylContact C-O 3.59Å; T786-L866 WeakPolarHBondContact CA-O 3.18Å; T786-L866 WeakPolarHBondContact CB-O 3.22Å; T786-L866 WeakPolarHBondContact CG2-O 3.48Å; Y787-L866 HydrophobicContact CD1-CB 3.8Å; Y787-L866 HydrophobicContact CD2-CB 4.27Å; Y787-L866 HydrophobicContact CD2-CD1 4.19Å; Y787-L866 HydrophobicContact CE1-CB 3.46Å; Y787-L866 VanDerWaalsContact CE1-CB 3.46Å; Y787-L866 HydrophobicContact CE1-CD1 4.49Å; Y787-L866 HydrophobicContact CE2-CB 3.98Å; Y787-L866 HydrophobicContact CE2-CD1 3.54Å; Y787-L866 HydrophobicContact CE2-CG 4.41Å; Y787-L866 HydrophobicContact CG-CB 4.19Å; Y787-L866 PolarHBondContact N-O 3.11Å; Y787-L866 PolarHBondContact O-N 2.59Å; Y787-L866 VanDerWaalsContact O-N 3.16Å; L789-L866 HydrophobicContact CD1-CD1 4.18Å; L789-L866 HydrophobicContact CG-CD1 4.39Å |
| 867 | L | 76.1 | Confident | 66.6 | Low | 108 Ų | 108 | 93.9 Ų | 93.9 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 143.6 | -172.9 | -74.9 | 161.1 | 0 | 0 | 0 | 112.6 | F773 T786 Y787 | F773-L867 HydrophobicContact CE2-CD2 3.91Å; T786-L867 HydrophobicContact CG2-CD2 4.37Å; Y787-L867 WeakPolarHBondContact CE1-O 3.49Å |
| 868 | C | 78.9 | Confident | 68.7 | Low | 21 Ų | 21 | 85.4 Ų | 85.4 | 14% | 0.142 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 163.5 | 168.6 | -62.1 | 0 | 0 | 0 | 0 | 113 | E785 T786 C872 C876 | E785-C868 PolarHBondContact O-N 2.89Å; E785-C868 PolarHBondContact O-SG 3.17Å; T786-C868 PolarHBondContact N-SG 3.04Å; C868-C872 HydrophobicContact CB-CB 3.9Å; C868-C876 WeakPolarHBondContact CA-SG 3.44Å; C868-C876 HydrophobicContact CB-CB 3.68Å; C868-C876 WeakPolarHBondContact CB-SG 3.09Å; C868-C876 WeakPolarHBondContact SG-CB 3.48Å; C868-C876 PolarHBondContact SG-N 3.33Å; C868-C876 VanDerWaalsContact SG-N 3.37Å; C868-C876 CovalentContact SG-SG 2.03Å; C868-C876 PolarHBondContact SG-SG 3.49Å |
| 869 | H | 80.8 | Confident | 70.5 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 146.7 | 170.8 | -167 | -102.6 | 0 | 0 | 0 | 111.7 | Q871 C872 G880 | H869-Q871 PolarHBondContact O-N 2.95Å; H869-C872 WeakPolarHBondContact O-CB 3.22Å; H869-C872 PolarHBondContact O-N 3.21Å; H869-G880 WeakPolarHBondContact CB-O 3.39Å |
| 870 | E | 81.8 | Confident | 72.6 | Confident | 123 Ų | 123 | 72.3 Ų | 72.3 | 58% | 0.575 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.7 | -173.5 | 52.7 | 146.5 | -129.5 | 0 | 0 | 115.5 | R888 | E870-R888 WeakPolarHBondContact O-CD 3.28Å; E870-R888 PolarHBondContact O-NH1 2.9Å |
| 871 | Q | 83.3 | Confident | 74.5 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3.4 | 176.4 | -58.4 | -55.6 | -35.7 | 0 | 0 | 113.7 | H869 C887 R888 C903 | H869-Q871 PolarHBondContact O-N 2.95Å; Q871-C887 WeakPolarHBondContact O-CA 3.5Å; Q871-R888 VanDerWaalsContact O-CB 3.3Å; Q871-R888 WeakPolarHBondContact O-CB 3.49Å; Q871-R888 PolarHBondContact O-N 3.26Å; Q871-C903 HydrophobicContact CB-CB 3.68Å; Q871-C903 WeakPolarHBondContact O-CB 3.46Å |
| 872 | C | 77.6 | Confident | 76.1 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 10% | 0.095 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 147.2 | 174.5 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | C868 H869 C884 K886 | C868-C872 HydrophobicContact CB-CB 3.9Å; H869-C872 WeakPolarHBondContact O-CB 3.22Å; H869-C872 PolarHBondContact O-N 3.21Å; C872-C884 WeakPolarHBondContact CA-SG 3.31Å; C872-C884 HydrophobicContact CB-CB 3.68Å; C872-C884 WeakPolarHBondContact CB-SG 3.26Å; C872-C884 WeakPolarHBondContact SG-CA 3.46Å; C872-C884 WeakPolarHBondContact SG-CB 3.47Å; C872-C884 CovalentContact SG-SG 2.03Å; C872-C884 PolarHBondContact SG-SG 3.28Å; C872-K886 CarbonylContact C-O 3.54Å; C872-K886 WeakPolarHBondContact CA-O 3.24Å |
| 873 | I | 72.3 | Confident | 77.3 | Confident | 61 Ų | 61 | 61.5 Ų | 61.5 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 162.9 | 156.2 | 59.1 | 174.5 | 0 | 0 | 0 | 108.5 | G875 K886 C887 R888 | I873-G875 PolarHBondContact O-N 2.83Å; I873-K886 HydrophobicContact CD1-CD 4.1Å; I873-K886 HydrophobicContact CD1-CG 4.13Å; I873-K886 HydrophobicContact CG1-CB 4Å; I873-K886 HydrophobicContact CG1-CD 4.28Å; I873-K886 HydrophobicContact CG1-CG 3.91Å; I873-K886 PolarHBondContact N-O 2.9Å; I873-K886 CarbonylContact O-C 3.6Å; I873-K886 WeakPolarHBondContact O-CA 3.5Å; I873-K886 WeakPolarHBondContact O-CB 3.14Å; I873-K886 PolarHBondContact O-N 2.9Å; I873-C887 VanDerWaalsContact CD1-O 3.28Å; I873-C887 WeakPolarHBondContact CD1-O 3.18Å; I873-C887 WeakPolarHBondContact CG1-O 3.19Å; I873-R888 HydrophobicContact CG2-CB 3.82Å; I873-R888 HydrophobicContact CG2-CG 3.91Å |
| 874 | Q | 73.9 | Confident | 77.8 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 60.4 | -0.8 | -177.7 | -53.9 | -168.8 | -44.5 | 0 | 0 | 115.7 | A784 V885 K886 | A784-Q874 VanDerWaalsContact CA-C 3.46Å; A784-Q874 PolarHBondContact O-N 2.56Å; Q874-V885 HydrophobicContact CB-CG1 4.35Å; Q874-K886 HydrophobicContact CB-CB 4.09Å; Q874-K886 HydrophobicContact CG-CB 4.37Å; Q874-K886 HydrophobicContact CG-CD 4.34Å |
| 875 | G | 70.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.2 | -175.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | P783 A784 I873 C884 V885 | P783-G875 WeakPolarHBondContact O-CA 3.43Å; A784-G875 PolarHBondContact O-N 3.23Å; I873-G875 PolarHBondContact O-N 2.83Å; G875-C884 CarbonylContact O-C 3.46Å; G875-C884 WeakPolarHBondContact O-CA 3.02Å; G875-V885 PolarHBondContact O-N 3.15Å |
| 876 | C | 80.6 | Confident | 78.5 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 10% | 0.101 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 155.6 | 169.7 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | C868 G878 D883 | C868-C876 WeakPolarHBondContact CA-SG 3.44Å; C868-C876 HydrophobicContact CB-CB 3.68Å; C868-C876 WeakPolarHBondContact CB-SG 3.09Å; C868-C876 WeakPolarHBondContact SG-CB 3.48Å; C868-C876 PolarHBondContact SG-N 3.33Å; C868-C876 VanDerWaalsContact SG-N 3.37Å; C868-C876 CovalentContact SG-SG 2.03Å; C868-C876 PolarHBondContact SG-SG 3.49Å; C876-G878 WeakPolarHBondContact CB-O 3.48Å; C876-G878 PolarHBondContact SG-O 3.08Å; C876-D883 CarbonylContact C-O 3.58Å; C876-D883 WeakPolarHBondContact CA-O 3.14Å; C876-D883 HydrophobicContact CB-CB 4.2Å |
| 877 | S | 81.5 | Confident | 78.9 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -84 | -15 | 166.9 | 41.6 | 0 | 0 | 0 | 0 | 114.2 | D883 | S877-D883 PolarHBondContact N-O 3.28Å; S877-D883 WeakPolarHBondContact OG-CA 3.42Å; S877-D883 WeakPolarHBondContact OG-CB 3.06Å; S877-D883 PolarHBondContact OG-O 2.9Å; S877-D883 PolarHBondContact OG-OD1 3.12Å |
| 878 | G | 77.9 | Confident | 79 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 5% | 0.052 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -176.4 | -167.2 | -169 | 0 | 0 | 0 | 0 | 0 | 112.5 | C876 D883 | C876-G878 WeakPolarHBondContact CB-O 3.48Å; C876-G878 PolarHBondContact SG-O 3.08Å; G878-D883 VanDerWaalsContact CA-OD2 3.28Å; G878-D883 WeakPolarHBondContact CA-OD2 3.14Å; G878-D883 VanDerWaalsContact N-CG 3.35Å; G878-D883 PolarHBondContact N-OD1 3.22Å; G878-D883 WeakPolarHBondContact O-CB 3.39Å |
| 879 | P | 73.9 | Confident | 79.1 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 55% | 0.552 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -84 | -6.7 | -170.1 | 34 | -36.3 | 0 | 0 | 0 | 115.7 | Y787 | Y787-P879 HydrophobicContact CE1-CB 4.41Š|
| 880 | G | 75.5 | Confident | 79.2 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -88.4 | 159.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | H869 E882 D883 | H869-G880 WeakPolarHBondContact CB-O 3.39Å; G880-E882 VanDerWaalsContact CA-OE2 3.31Å; G880-E882 WeakPolarHBondContact CA-OE2 3.2Å; G880-E882 PolarHBondContact O-N 2.83Å; G880-D883 PolarHBondContact N-OD2 2.91Å; G880-D883 WeakPolarHBondContact O-CB 3.38Å; G880-D883 PolarHBondContact O-N 2.94Å; G880-D883 VanDerWaalsContact O-N 3.17Å |
| 881 | P | 83.2 | Confident | 79.2 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 25% | 0.247 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.5 | 168.4 | 27.9 | -36.2 | 0 | 0 | 0 | 114.3 | V902 C903 | P881-V902 HydrophobicContact CB-CG2 3.91Å; P881-V902 HydrophobicContact CG-CG2 4.22Å; P881-C903 PolarHBondContact O-N 3.28Å |
| 882 | E | 83.2 | Confident | 79.1 | Confident | 106 Ų | 106 | 51.6 Ų | 51.6 | 50% | 0.495 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -12.7 | 172.9 | 71.7 | -88.4 | -134.4 | 0 | 0 | 113.8 | G880 C884 | G880-E882 VanDerWaalsContact CA-OE2 3.31Å; G880-E882 WeakPolarHBondContact CA-OE2 3.2Å; G880-E882 PolarHBondContact O-N 2.83Å; E882-C884 VanDerWaalsContact C-N 3.32Å |
| 883 | D | 82.8 | Confident | 79.1 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -81.9 | -9.9 | 177.6 | -82.4 | -60.8 | 0 | 0 | 0 | 112.9 | C876 S877 G878 G880 | C876-D883 CarbonylContact C-O 3.58Å; C876-D883 WeakPolarHBondContact CA-O 3.14Å; C876-D883 HydrophobicContact CB-CB 4.2Å; S877-D883 PolarHBondContact N-O 3.28Å; S877-D883 WeakPolarHBondContact OG-CA 3.42Å; S877-D883 WeakPolarHBondContact OG-CB 3.06Å; S877-D883 PolarHBondContact OG-O 2.9Å; S877-D883 PolarHBondContact OG-OD1 3.12Å; G878-D883 VanDerWaalsContact CA-OD2 3.28Å; G878-D883 WeakPolarHBondContact CA-OD2 3.14Å; G878-D883 VanDerWaalsContact N-CG 3.35Å; G878-D883 PolarHBondContact N-OD1 3.22Å; G878-D883 WeakPolarHBondContact O-CB 3.39Å; G880-D883 PolarHBondContact N-OD2 2.91Å; G880-D883 WeakPolarHBondContact O-CB 3.38Å; G880-D883 PolarHBondContact O-N 2.94Å; G880-D883 VanDerWaalsContact O-N 3.17Å |
| 884 | C | 79.4 | Confident | 79.2 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 143.6 | -169.4 | -57.1 | 0 | 0 | 0 | 0 | 113.7 | C872 G875 E882 F901 C903 | C872-C884 WeakPolarHBondContact CA-SG 3.31Å; C872-C884 HydrophobicContact CB-CB 3.68Å; C872-C884 WeakPolarHBondContact CB-SG 3.26Å; C872-C884 WeakPolarHBondContact SG-CA 3.46Å; C872-C884 WeakPolarHBondContact SG-CB 3.47Å; C872-C884 CovalentContact SG-SG 2.03Å; C872-C884 PolarHBondContact SG-SG 3.28Å; G875-C884 CarbonylContact O-C 3.46Å; G875-C884 WeakPolarHBondContact O-CA 3.02Å; E882-C884 VanDerWaalsContact C-N 3.32Å; C884-F901 HydrophobicContact CB-CE2 4.33Å; C884-F901 VanDerWaalsContact O-CE2 3.28Å; C884-F901 WeakPolarHBondContact O-CE2 3.12Å; C884-F901 WeakPolarHBondContact O-CZ 3.33Å; C884-C903 HydrophobicContact CB-CB 4.49Å; C884-C903 WeakPolarHBondContact CB-SG 3.39Å |
| 885 | V | 80.6 | Confident | 79 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -28.1 | 172.2 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | Q874 G875 F901 | Q874-V885 HydrophobicContact CB-CG1 4.35Å; G875-V885 PolarHBondContact O-N 3.15Å; V885-F901 WeakPolarHBondContact O-CZ 3.44Å |
| 886 | K | 78.4 | Confident | 78.8 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 161.6 | 169.2 | -178.9 | 173.4 | 179 | 174.8 | 0 | 109.8 | C872 I873 Q874 | C872-K886 CarbonylContact C-O 3.54Å; C872-K886 WeakPolarHBondContact CA-O 3.24Å; I873-K886 HydrophobicContact CD1-CD 4.1Å; I873-K886 HydrophobicContact CD1-CG 4.13Å; I873-K886 HydrophobicContact CG1-CB 4Å; I873-K886 HydrophobicContact CG1-CD 4.28Å; I873-K886 HydrophobicContact CG1-CG 3.91Å; I873-K886 PolarHBondContact N-O 2.9Å; I873-K886 CarbonylContact O-C 3.6Å; I873-K886 WeakPolarHBondContact O-CA 3.5Å; I873-K886 WeakPolarHBondContact O-CB 3.14Å; I873-K886 PolarHBondContact O-N 2.9Å; Q874-K886 HydrophobicContact CB-CB 4.09Å; Q874-K886 HydrophobicContact CG-CB 4.37Å; Q874-K886 HydrophobicContact CG-CD 4.34Å |
| 887 | C | 84.4 | Confident | 78.3 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141.6 | -178.2 | -53 | 0 | 0 | 0 | 0 | 114.1 | Q871 I873 Y890 Q891 F901 C903 | Q871-C887 WeakPolarHBondContact O-CA 3.5Å; I873-C887 VanDerWaalsContact CD1-O 3.28Å; I873-C887 WeakPolarHBondContact CD1-O 3.18Å; I873-C887 WeakPolarHBondContact CG1-O 3.19Å; C887-Y890 VanDerWaalsContact CB-C 3.42Å; C887-Y890 WeakPolarHBondContact CB-O 3.48Å; C887-Q891 HydrophobicContact CB-CB 3.91Å; C887-Q891 WeakPolarHBondContact SG-CA 3.46Å; C887-F901 VanDerWaalsContact SG-CD2 3.53Å; C887-C903 WeakPolarHBondContact CA-SG 3.28Å; C887-C903 HydrophobicContact CB-CB 3.5Å; C887-C903 WeakPolarHBondContact CB-SG 3.09Å; C887-C903 WeakPolarHBondContact SG-CA 3.31Å; C887-C903 WeakPolarHBondContact SG-CB 3.41Å; C887-C903 CovalentContact SG-SG 2.03Å; C887-C903 PolarHBondContact SG-SG 3.15Å |
| 888 | R | 79.4 | Confident | 77.8 | Confident | 148 Ų | 148 | 69 Ų | 69 | 56% | 0.558 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -71.6 | -53.1 | -173.1 | -175.4 | 177.6 | -177.8 | 179 | 0.9 | 113.2 | E870 Q871 I873 | E870-R888 WeakPolarHBondContact O-CD 3.28Å; E870-R888 PolarHBondContact O-NH1 2.9Å; Q871-R888 VanDerWaalsContact O-CB 3.3Å; Q871-R888 WeakPolarHBondContact O-CB 3.49Å; Q871-R888 PolarHBondContact O-N 3.26Å; I873-R888 HydrophobicContact CG2-CB 3.82Å; I873-R888 HydrophobicContact CG2-CG 3.91Å |
| 889 | N | 81.3 | Confident | 77.2 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 36% | 0.358 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -95.2 | -66.3 | 174.1 | -69.8 | 6.7 | 0 | 0 | 0 | 108.5 | S905 | N889-S905 PolarHBondContact ND2-O 2.8Š|
| 890 | Y | 82 | Confident | 77.3 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 138.4 | -174.2 | -42.7 | -72.1 | 0 | 0 | 0 | 114.4 | C887 N904 S905 I914 G917 C919 | C887-Y890 VanDerWaalsContact CB-C 3.42Å; C887-Y890 WeakPolarHBondContact CB-O 3.48Å; Y890-N904 PolarHBondContact N-O 3.49Å; Y890-N904 PolarHBondContact O-N 3.34Å; Y890-S905 WeakPolarHBondContact CE2-O 3.47Å; Y890-I914 HydrophobicContact CD1-CG1 4.16Å; Y890-I914 HydrophobicContact CD1-CG2 4.23Å; Y890-I914 HydrophobicContact CE1-CB 4.33Å; Y890-I914 HydrophobicContact CE1-CD1 3.53Å; Y890-I914 HydrophobicContact CE1-CG1 3.57Å; Y890-I914 HydrophobicContact CE1-CG2 3.79Å; Y890-G917 WeakPolarHBondContact CA-O 3.37Å; Y890-C919 WeakPolarHBondContact CB-SG 3.44Å |
| 891 | Q | 81.4 | Confident | 77.8 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 19% | 0.187 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.4 | 174.1 | -171.9 | 172.7 | 6 | 0 | 0 | 111 | C887 F901 G917 M918 C919 | C887-Q891 HydrophobicContact CB-CB 3.91Å; C887-Q891 WeakPolarHBondContact SG-CA 3.46Å; Q891-F901 HydrophobicContact CG-CB 3.91Å; Q891-F901 HydrophobicContact CG-CD1 4.4Å; Q891-F901 HydrophobicContact CG-CD2 3.8Å; Q891-F901 HydrophobicContact CG-CE2 4.42Å; Q891-F901 HydrophobicContact CG-CG 3.78Å; Q891-G917 PolarHBondContact N-O 3.49Å; Q891-G917 VanDerWaalsContact N-O 3.12Å; Q891-M918 HydrophobicContact CB-CG 4.43Å; Q891-C919 WeakPolarHBondContact O-CB 3.41Å; Q891-C919 PolarHBondContact O-N 2.79Å |
| 892 | I | 81.4 | Confident | 77.9 | Confident | 22 Ų | 22 | 77 Ų | 77 | 11% | 0.113 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.1 | 173.9 | -56.1 | 171.2 | 0 | 0 | 0 | 107.9 | L894 F901 V902 N904 P908 C919 | I892-L894 PolarHBondContact O-N 2.87Å; I892-F901 CarbonylContact O-C 3.21Å; I892-F901 WeakPolarHBondContact O-CA 3.38Å; I892-F901 WeakPolarHBondContact O-CB 3.22Å; I892-V902 HydrophobicContact CB-CG1 4.02Å; I892-V902 HydrophobicContact CG2-CG1 4.46Å; I892-V902 PolarHBondContact N-O 2.97Å; I892-V902 PolarHBondContact O-N 3.39Å; I892-N904 HydrophobicContact CD1-CB 3.68Å; I892-P908 HydrophobicContact CD1-CG 4.29Å; I892-C919 HydrophobicContact CG1-CB 4.16Å |
| 893 | I | 78.7 | Confident | 78 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 36% | 0.359 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 121.9 | 176.4 | -56.2 | 173.5 | 0 | 0 | 0 | 108.9 | E896 | I893-E896 HydrophobicContact CG2-CG 3.96Å |
| 894 | L | 72.9 | Confident | 77.9 | Confident | 100 Ų | 100 | 73 Ų | 73 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -34.1 | 176.3 | -69.3 | 177.4 | 0 | 0 | 0 | 111.7 | I892 K900 V902 | I892-L894 PolarHBondContact O-N 2.87Å; L894-K900 WeakPolarHBondContact CA-O 3.4Å; L894-K900 WeakPolarHBondContact CB-O 3.2Å; L894-K900 HydrophobicContact CD1-CG 4.31Å; L894-K900 PolarHBondContact N-O 2.97Å; L894-V902 HydrophobicContact CD1-CB 4.01Å; L894-V902 HydrophobicContact CD1-CG1 4.33Å; L894-V902 HydrophobicContact CD2-CB 4.41Å; L894-V902 HydrophobicContact CD2-CG1 3.83Å; L894-V902 HydrophobicContact CG-CB 4.21Å; L894-V902 HydrophobicContact CG-CG1 4.05Å |
| 895 | D | 69.8 | Low | 78 | Confident | 60 Ų | 60 | 75.3 Ų | 75.3 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 121 | -175.5 | 176.7 | -1.5 | 0 | 0 | 0 | 109.5 | E897 T898 N899 K900 | D895-E897 PolarHBondContact OD1-N 3.33Å; D895-T898 WeakPolarHBondContact CB-OG1 3.4Å; D895-T898 PolarHBondContact OD1-N 2.85Å; D895-T898 WeakPolarHBondContact OD2-CB 3.42Å; D895-T898 VanDerWaalsContact OD2-CG2 3.22Å; D895-T898 WeakPolarHBondContact OD2-CG2 3.24Å; D895-T898 PolarHBondContact OD2-OG1 3.18Å; D895-N899 CarbonylContact O-C 3.52Å; D895-N899 WeakPolarHBondContact O-CA 3.43Å; D895-N899 PolarHBondContact O-N 3.32Å; D895-K900 HydrophobicContact CB-CB 4.21Å; D895-K900 PolarHBondContact N-O 3.04Å; D895-K900 VanDerWaalsContact N-O 3.1Å; D895-K900 PolarHBondContact O-N 3.39Å; D895-K900 VanDerWaalsContact O-N 3.09Å |
| 896 | E | 66.6 | Low | 78 | Confident | 159 Ų | 159 | 74.1 Ų | 74.1 | 74% | 0.743 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -24.8 | -179.6 | -66.5 | -175.9 | 162.5 | 0 | 0 | 112.9 | I893 | I893-E896 HydrophobicContact CG2-CG 3.96Š|
| 897 | E | 70.7 | Confident | 78.1 | Confident | 185 Ų | 185 | 72.6 Ų | 72.6 | 86% | 0.864 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -42.9 | 178.1 | -64.3 | -166.1 | 161.7 | 0 | 0 | 111.3 | D895 | D895-E897 PolarHBondContact OD1-N 3.33Š|
| 898 | T | 70 | Confident | 77.7 | Confident | 93 Ų | 93 | 74.8 Ų | 74.8 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 0.3 | 177.9 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | D895 K900 | D895-T898 WeakPolarHBondContact CB-OG1 3.4Å; D895-T898 PolarHBondContact OD1-N 2.85Å; D895-T898 WeakPolarHBondContact OD2-CB 3.42Å; D895-T898 VanDerWaalsContact OD2-CG2 3.22Å; D895-T898 WeakPolarHBondContact OD2-CG2 3.24Å; D895-T898 PolarHBondContact OD2-OG1 3.18Å; T898-K900 PolarHBondContact O-N 3.29Å; T898-K900 WeakPolarHBondContact OG1-CB 3.23Å |
| 899 | N | 66.7 | Low | 77.4 | Confident | 128 Ų | 128 | 77 Ų | 77 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 24.7 | -170.7 | -88 | -74.6 | 0 | 0 | 0 | 113.7 | D895 F901 | D895-N899 CarbonylContact O-C 3.52Å; D895-N899 WeakPolarHBondContact O-CA 3.43Å; D895-N899 PolarHBondContact O-N 3.32Å; N899-F901 WeakPolarHBondContact O-CD1 3.43Å |
| 900 | K | 76 | Confident | 77.2 | Confident | 113 Ų | 113 | 79 Ų | 79 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 138.2 | -178.4 | -166.8 | 175.3 | -177 | 176.9 | 0 | 110.1 | L894 D895 T898 | L894-K900 WeakPolarHBondContact CA-O 3.4Å; L894-K900 WeakPolarHBondContact CB-O 3.2Å; L894-K900 HydrophobicContact CD1-CG 4.31Å; L894-K900 PolarHBondContact N-O 2.97Å; D895-K900 HydrophobicContact CB-CB 4.21Å; D895-K900 PolarHBondContact N-O 3.04Å; D895-K900 VanDerWaalsContact N-O 3.1Å; D895-K900 PolarHBondContact O-N 3.39Å; D895-K900 VanDerWaalsContact O-N 3.09Å; T898-K900 PolarHBondContact O-N 3.29Å; T898-K900 WeakPolarHBondContact OG1-CB 3.23Å |
| 901 | F | 84.4 | Confident | 76.6 | Confident | 32 Ų | 32 | 80 Ų | 80 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 169.3 | 178.3 | 59 | -93.9 | 0 | 0 | 0 | 111.2 | C884 V885 C887 Q891 I892 N899 | C884-F901 HydrophobicContact CB-CE2 4.33Å; C884-F901 VanDerWaalsContact O-CE2 3.28Å; C884-F901 WeakPolarHBondContact O-CE2 3.12Å; C884-F901 WeakPolarHBondContact O-CZ 3.33Å; V885-F901 WeakPolarHBondContact O-CZ 3.44Å; C887-F901 VanDerWaalsContact SG-CD2 3.53Å; Q891-F901 HydrophobicContact CG-CB 3.91Å; Q891-F901 HydrophobicContact CG-CD1 4.4Å; Q891-F901 HydrophobicContact CG-CD2 3.8Å; Q891-F901 HydrophobicContact CG-CE2 4.42Å; Q891-F901 HydrophobicContact CG-CG 3.78Å; I892-F901 CarbonylContact O-C 3.21Å; I892-F901 WeakPolarHBondContact O-CA 3.38Å; I892-F901 WeakPolarHBondContact O-CB 3.22Å; N899-F901 WeakPolarHBondContact O-CD1 3.43Å |
| 902 | V | 86.5 | Confident | 76.1 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 21% | 0.212 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.1 | 169.1 | 65.8 | 0 | 0 | 0 | 0 | 109.3 | P881 I892 L894 | P881-V902 HydrophobicContact CB-CG2 3.91Å; P881-V902 HydrophobicContact CG-CG2 4.22Å; I892-V902 HydrophobicContact CB-CG1 4.02Å; I892-V902 HydrophobicContact CG2-CG1 4.46Å; I892-V902 PolarHBondContact N-O 2.97Å; I892-V902 PolarHBondContact O-N 3.39Å; L894-V902 HydrophobicContact CD1-CB 4.01Å; L894-V902 HydrophobicContact CD1-CG1 4.33Å; L894-V902 HydrophobicContact CD2-CB 4.41Å; L894-V902 HydrophobicContact CD2-CG1 3.83Å; L894-V902 HydrophobicContact CG-CB 4.21Å; L894-V902 HydrophobicContact CG-CG1 4.05Å |
| 903 | C | 84.1 | Confident | 75.5 | Confident | 4 Ų | 4 | 86.4 Ų | 86.4 | 3% | 0.027 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.3 | 179.6 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | Q871 P881 C884 C887 | Q871-C903 HydrophobicContact CB-CB 3.68Å; Q871-C903 WeakPolarHBondContact O-CB 3.46Å; P881-C903 PolarHBondContact O-N 3.28Å; C884-C903 HydrophobicContact CB-CB 4.49Å; C884-C903 WeakPolarHBondContact CB-SG 3.39Å; C887-C903 WeakPolarHBondContact CA-SG 3.28Å; C887-C903 HydrophobicContact CB-CB 3.5Å; C887-C903 WeakPolarHBondContact CB-SG 3.09Å; C887-C903 WeakPolarHBondContact SG-CA 3.31Å; C887-C903 WeakPolarHBondContact SG-CB 3.41Å; C887-C903 CovalentContact SG-SG 2.03Å; C887-C903 PolarHBondContact SG-SG 3.15Å |
| 904 | N | 81.8 | Confident | 75.1 | Confident | 61 Ų | 61 | 88.1 Ų | 88.1 | 33% | 0.326 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 154.1 | -178 | -161.1 | 9.4 | 0 | 0 | 0 | 112.3 | Y890 I892 S906 | Y890-N904 PolarHBondContact N-O 3.49Å; Y890-N904 PolarHBondContact O-N 3.34Å; I892-N904 HydrophobicContact CD1-CB 3.68Å; N904-S906 WeakPolarHBondContact CB-O 3.46Å; N904-S906 VanDerWaalsContact CG-O 3.3Å; N904-S906 PolarHBondContact ND2-O 3.44Å |
| 905 | S | 80.5 | Confident | 74.7 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -72.9 | -28.8 | 179.9 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | N889 Y890 | N889-S905 PolarHBondContact ND2-O 2.8Å; Y890-S905 WeakPolarHBondContact CE2-O 3.47Å |
| 906 | S | 81.6 | Confident | 74.5 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -132.6 | 153.8 | 176.2 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | N904 | N904-S906 WeakPolarHBondContact CB-O 3.46Å; N904-S906 VanDerWaalsContact CG-O 3.3Å; N904-S906 PolarHBondContact ND2-O 3.44Å |
| 907 | C | 80.7 | Confident | 74.6 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 20% | 0.203 | 41% | 0.413 | C | S | . | . | trans | -75.5 | 144.4 | 166.4 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | R911 C919 | C907-R911 WeakPolarHBondContact CB-O 3.32Å; C907-R911 PolarHBondContact SG-O 2.8Å; C907-R911 VanDerWaalsContact SG-O 3.36Å; C907-C919 WeakPolarHBondContact CA-SG 3.03Å; C907-C919 HydrophobicContact CB-CB 4.07Å; C907-C919 WeakPolarHBondContact CB-SG 3.21Å; C907-C919 WeakPolarHBondContact SG-CA 3.36Å; C907-C919 WeakPolarHBondContact SG-CB 3.22Å; C907-C919 CovalentContact SG-SG 2.04Å; C907-C919 PolarHBondContact SG-SG 3.09Å | ||
| 908 | P | 74.6 | Confident | 74.6 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | trans | -67.2 | 161.2 | 167.2 | 33 | -36.5 | 0 | 0 | 0 | 110.2 | I892 D910 R911 | I892-P908 HydrophobicContact CD1-CG 4.29Å; P908-D910 VanDerWaalsContact CB-OD1 3.23Å; P908-D910 WeakPolarHBondContact CB-OD1 3.37Å; P908-D910 WeakPolarHBondContact CG-OD1 3.15Å; P908-D910 PolarHBondContact O-N 3.21Å; P908-R911 PolarHBondContact O-N 3.23Å | ||
| 909 | E | 74.7 | Confident | 75 | Confident | 195 Ų | 195 | 69.1 Ų | 69.1 | 91% | 0.911 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.9 | -170.4 | -61.2 | -172.1 | 146.5 | 0 | 0 | 113.9 | ||
| 910 | D | 76.5 | Confident | 75.1 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -12.5 | 176.8 | 65.3 | -55.5 | 0 | 0 | 0 | 115.2 | P908 | P908-D910 VanDerWaalsContact CB-OD1 3.23Å; P908-D910 WeakPolarHBondContact CB-OD1 3.37Å; P908-D910 WeakPolarHBondContact CG-OD1 3.15Å; P908-D910 PolarHBondContact O-N 3.21Å |
| 911 | R | 69.2 | Low | 74.7 | Confident | 75 Ų | 75 | 63 Ų | 63 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | trans | -136.4 | 57.2 | -173.4 | -59.8 | -172.9 | -172.5 | -146.1 | 5.8 | 113.8 | C907 P908 H913 C919 L920 | C907-R911 WeakPolarHBondContact CB-O 3.32Å; C907-R911 PolarHBondContact SG-O 2.8Å; C907-R911 VanDerWaalsContact SG-O 3.36Å; P908-R911 PolarHBondContact O-N 3.23Å; R911-H913 PolarHBondContact O-N 3Å; R911-C919 HydrophobicContact CB-CB 4.04Å; R911-L920 CarbonylContact C-O 3.6Å | ||
| 912 | N | 71 | Confident | 74 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | trans | -89.1 | 10 | -164.1 | 59.9 | 3.9 | 0 | 0 | 0 | 116.8 | ||||
| 913 | H | 69.6 | Low | 73 | Confident | 86 Ų | 86 | 68 Ų | 68 | 40% | 0.398 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 149.6 | 177 | -72.6 | -106.6 | 0 | 0 | 0 | 112.5 | R911 L920 T921 | R911-H913 PolarHBondContact O-N 3Å; H913-L920 HydrophobicContact CB-CB 4.37Å; H913-L920 PolarHBondContact N-O 2.93Å; H913-L920 VanDerWaalsContact N-O 3.09Å; H913-L920 PolarHBondContact O-N 3.11Å; H913-T921 VanDerWaalsContact CB-O 3.24Å; H913-T921 WeakPolarHBondContact CB-O 3.25Å |
| 914 | I | 68.3 | Low | 72 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 54% | 0.544 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 118.9 | -167.8 | -53.6 | 163.3 | 0 | 0 | 0 | 110.7 | Y890 | Y890-I914 HydrophobicContact CD1-CG1 4.16Å; Y890-I914 HydrophobicContact CD1-CG2 4.23Å; Y890-I914 HydrophobicContact CE1-CB 4.33Å; Y890-I914 HydrophobicContact CE1-CD1 3.53Å; Y890-I914 HydrophobicContact CE1-CG1 3.57Å; Y890-I914 HydrophobicContact CE1-CG2 3.79Å |
| 915 | F | 65.3 | Low | 71 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 132.5 | 166.6 | 167 | -120.4 | 0 | 0 | 0 | 111.3 | G917 M918 L920 Q924 N925 | F915-G917 PolarHBondContact O-N 2.74Å; F915-M918 HydrophobicContact CD1-CE 4.12Å; F915-M918 WeakPolarHBondContact O-CE 3.11Å; F915-M918 PolarHBondContact O-N 2.84Å; F915-M918 VanDerWaalsContact O-N 3.13Å; F915-L920 HydrophobicContact CB-CD1 3.66Å; F915-L920 HydrophobicContact CD1-CD1 4.45Å; F915-Q924 HydrophobicContact CD1-CB 3.77Å; F915-Q924 VanDerWaalsContact CD2-C 3.43Å; F915-Q924 WeakPolarHBondContact CD2-O 3.24Å; F915-Q924 HydrophobicContact CE1-CB 3.72Å; F915-Q924 HydrophobicContact CG-CB 4.4Å; F915-Q924 VanDerWaalsContact CG-O 3.29Å; F915-Q924 WeakPolarHBondContact CG-O 3.43Å; F915-Q924 HydrophobicContact CZ-CB 4.38Å; F915-N925 HydrophobicContact CE2-CB 4.49Å; F915-N925 WeakPolarHBondContact CE2-O 3.42Å; F915-N925 VanDerWaalsContact CZ-C 3.46Å; F915-N925 VanDerWaalsContact CZ-CA 3.47Å; F915-N925 VanDerWaalsContact CZ-O 3.27Å; F915-N925 WeakPolarHBondContact CZ-O 3.24Å |
| 916 | H | 64.9 | Low | 70 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 40% | 0.403 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 19.4 | -178.4 | -78.4 | -24.3 | 0 | 0 | 0 | 117.2 | R927 | H916-R927 PolarHBondContact NE2-NE 3.39Š|
| 917 | G | 69.1 | Low | 67.6 | Low | 18 Ų | 18 | 82.8 Ų | 82.8 | 19% | 0.186 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.9 | 17 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y890 Q891 F915 | Y890-G917 WeakPolarHBondContact CA-O 3.37Å; Q891-G917 PolarHBondContact N-O 3.49Å; Q891-G917 VanDerWaalsContact N-O 3.12Å; F915-G917 PolarHBondContact O-N 2.74Å |
| 918 | M | 71.9 | Confident | 64.1 | Low | 62 Ų | 62 | 89.7 Ų | 89.7 | 31% | 0.305 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 143.4 | 178.1 | -61.5 | 173.2 | -68.6 | 0 | 0 | 111 | Q891 F915 L920 | Q891-M918 HydrophobicContact CB-CG 4.43Å; F915-M918 HydrophobicContact CD1-CE 4.12Å; F915-M918 WeakPolarHBondContact O-CE 3.11Å; F915-M918 PolarHBondContact O-N 2.84Å; F915-M918 VanDerWaalsContact O-N 3.13Å; M918-L920 HydrophobicContact CB-CD1 4.29Å; M918-L920 HydrophobicContact CB-CD2 3.63Å; M918-L920 HydrophobicContact CB-CG 3.75Å; M918-L920 HydrophobicContact CE-CD1 4.3Å; M918-L920 HydrophobicContact CE-CD2 4.27Å; M918-L920 PolarHBondContact O-N 3.04Å; M918-L920 HydrophobicContact SD-CD2 4.33Å |
| 919 | C | 78.6 | Confident | 60.9 | Low | 7 Ų | 7 | 94.1 Ų | 94.1 | 5% | 0.047 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 108.1 | 160.9 | -76.3 | 0 | 0 | 0 | 0 | 107.5 | Y890 Q891 I892 C907 R911 | Y890-C919 WeakPolarHBondContact CB-SG 3.44Å; Q891-C919 WeakPolarHBondContact O-CB 3.41Å; Q891-C919 PolarHBondContact O-N 2.79Å; I892-C919 HydrophobicContact CG1-CB 4.16Å; C907-C919 WeakPolarHBondContact CA-SG 3.03Å; C907-C919 HydrophobicContact CB-CB 4.07Å; C907-C919 WeakPolarHBondContact CB-SG 3.21Å; C907-C919 WeakPolarHBondContact SG-CA 3.36Å; C907-C919 WeakPolarHBondContact SG-CB 3.22Å; C907-C919 CovalentContact SG-SG 2.04Å; C907-C919 PolarHBondContact SG-SG 3.09Å; R911-C919 HydrophobicContact CB-CB 4.04Å |
| 920 | L | 68.2 | Low | 58.5 | Low | 22 Ų | 22 | 88.3 Ų | 88.3 | 12% | 0.115 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 158.1 | -176.3 | -58.7 | 169.4 | 0 | 0 | 0 | 110.6 | R911 H913 F915 M918 | R911-L920 CarbonylContact C-O 3.6Å; H913-L920 HydrophobicContact CB-CB 4.37Å; H913-L920 PolarHBondContact N-O 2.93Å; H913-L920 VanDerWaalsContact N-O 3.09Å; H913-L920 PolarHBondContact O-N 3.11Å; F915-L920 HydrophobicContact CB-CD1 3.66Å; F915-L920 HydrophobicContact CD1-CD1 4.45Å; M918-L920 HydrophobicContact CB-CD1 4.29Å; M918-L920 HydrophobicContact CB-CD2 3.63Å; M918-L920 HydrophobicContact CB-CG 3.75Å; M918-L920 HydrophobicContact CE-CD1 4.3Å; M918-L920 HydrophobicContact CE-CD2 4.27Å; M918-L920 PolarHBondContact O-N 3.04Å; M918-L920 HydrophobicContact SD-CD2 4.33Å |
| 921 | T | 67.4 | Low | 55.7 | Low | 89 Ų | 89 | 92 Ų | 92 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -66.6 | -173.5 | 145.2 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | H913 E923 | H913-T921 VanDerWaalsContact CB-O 3.24Å; H913-T921 WeakPolarHBondContact CB-O 3.25Å; T921-E923 WeakPolarHBondContact CB-OE2 3.26Å; T921-E923 PolarHBondContact O-N 3.35Å; T921-E923 VanDerWaalsContact O-N 3.11Å; T921-E923 VanDerWaalsContact O-OE2 3.05Å; T921-E923 PolarHBondContact OG1-OE2 2.81Å |
| 922 | A | 68.9 | Low | 53.6 | Low | 73 Ų | 73 | 94.6 Ų | 94.6 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -78.7 | 83.6 | -158.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 923 | E | 66.8 | Low | 52.1 | Low | 99 Ų | 99 | 94.3 Ų | 94.3 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | trans | -135.1 | -122.1 | -171.7 | -45.7 | 114.7 | 55.4 | 0 | 0 | 127.2 | T921 | T921-E923 WeakPolarHBondContact CB-OE2 3.26Å; T921-E923 PolarHBondContact O-N 3.35Å; T921-E923 VanDerWaalsContact O-N 3.11Å; T921-E923 VanDerWaalsContact O-OE2 3.05Å; T921-E923 PolarHBondContact OG1-OE2 2.81Å | ||
| 924 | Q | 63.8 | Low | 50.3 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 45% | 0.449 | 57% | 0.57 | S | S | . | * | trans | -102.3 | -159.5 | -137 | -28.2 | 78.2 | -1.3 | 0 | 0 | 124.8 | F915 | F915-Q924 HydrophobicContact CD1-CB 3.77Å; F915-Q924 VanDerWaalsContact CD2-C 3.43Å; F915-Q924 WeakPolarHBondContact CD2-O 3.24Å; F915-Q924 HydrophobicContact CE1-CB 3.72Å; F915-Q924 HydrophobicContact CG-CB 4.4Å; F915-Q924 VanDerWaalsContact CG-O 3.29Å; F915-Q924 WeakPolarHBondContact CG-O 3.43Å; F915-Q924 HydrophobicContact CZ-CB 4.38Å | ||
| 925 | N | 59.8 | Low | 49.1 | Very low | 129 Ų | 129 | 105.9 Ų | 105.9 | 69% | 0.69 | 58% | 0.583 | S | S | * | * | trans | -157.1 | 169.4 | -169.2 | -122.7 | -90.3 | 0 | 0 | 0 | 127.4 | F915 R927 | F915-N925 HydrophobicContact CE2-CB 4.49Å; F915-N925 WeakPolarHBondContact CE2-O 3.42Å; F915-N925 VanDerWaalsContact CZ-C 3.46Å; F915-N925 VanDerWaalsContact CZ-CA 3.47Å; F915-N925 VanDerWaalsContact CZ-O 3.27Å; F915-N925 WeakPolarHBondContact CZ-O 3.24Å; N925-R927 PolarHBondContact O-NH2 3.5Å | ||
| 926 | A | 60.3 | Low | 48.4 | Very low | 71 Ų | 71 | 112 Ų | 112 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | trans | 35 | 0 | 160.4 | 0 | 0 | 0 | 0 | 0 | 131.1 | ||||
| 927 | R | 30 | Very low | 47.8 | Very low | 201 Ų | 201 | 117.9 Ų | 117.9 | 76% | 0.758 | 64% | 0.635 | S | S | * | * | 0 | -160 | 0 | -50.8 | -170.1 | -172.8 | -161.3 | -3.5 | 120.6 | H916 N925 | H916-R927 PolarHBondContact NE2-NE 3.39Å; N925-R927 PolarHBondContact O-NH2 3.5Å | |||
| 928 | L | 8 | Very low | 47.5 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | trans | -143.7 | 0 | -149.7 | 50.8 | 56.6 | 0 | 0 | 0 | 124.4 | ||||
| 929 | S | 7.6 | Very low | 47.4 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 97% | 0.972 | 69% | 0.687 | S | S | * | * | 0 | 0 | 0 | -164 | 0 | 0 | 0 | 0 | 123 | |||||
| 930 | G | 22.9 | Very low | 46.9 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 72% | 0.723 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 931 | Q | 18 | Very low | 46.5 | Very low | 186 Ų | 186 | 145.1 Ų | 145.1 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | 0 | 0 | 0 | -146.7 | -156.6 | 83.2 | 0 | 0 | 123.4 | |||||
| 932 | T | 25.5 | Very low | 46.7 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | 59.6 | 0 | 0 | 0 | 0 | 128.8 | |||||
| 933 | A | 39.2 | Very low | 46.9 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 88% | 0.876 | 76% | 0.756 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 134.5 | |||||
| 934 | R | 32.1 | Very low | 47.3 | Very low | 257 Ų | 257 | 146 Ų | 146 | 97% | 0.97 | 77% | 0.765 | S | S | * | * | 0 | 0 | 0 | -156.2 | 169.3 | 177 | -169.7 | -1.4 | 121.9 | |||||
| 935 | E | 42.7 | Very low | 47.5 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 0 | 0 | 0 | -128.6 | -64.9 | -86.1 | 0 | 0 | 121.8 | |||||
| 936 | L | 51.2 | Low | 48.4 | Very low | 154 Ų | 154 | 143 Ų | 143 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | 0 | 0 | 0 | -168.2 | 62.1 | 0 | 0 | 0 | 125.7 | |||||
| 937 | R | 52.2 | Low | 49.3 | Very low | 209 Ų | 209 | 142.7 Ų | 142.7 | 79% | 0.789 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | -135.9 | -175.7 | 72.8 | -178.5 | 1.2 | 124.1 | |||||
| 938 | N | 62.8 | Low | 51.5 | Low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | 0 | 15.7 | 0 | -104.1 | 19 | 0 | 0 | 0 | 131.5 | |||||
| 939 | R | 69.9 | Low | 54.9 | Low | 236 Ų | 236 | 136.6 Ų | 136.6 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | trans | -102.2 | -5.7 | -155.2 | -66.7 | -178.5 | 178.9 | 178.4 | -0.5 | 125.2 | ||||
| 940 | I | 67.3 | Low | 58.5 | Low | 156 Ų | 156 | 134.1 Ų | 134.1 | 80% | 0.8 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -88.6 | -46.8 | -155.9 | -62.5 | 174.1 | 0 | 0 | 0 | 117.3 | I942 G943 | I940-I942 PolarHBondContact O-N 2.92Å; I940-G943 PolarHBondContact O-N 2.96Å |
| 941 | L | 60.5 | Low | 61.3 | Low | 160 Ų | 160 | 135.5 Ų | 135.5 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -23.3 | -160.6 | -142.2 | 82.1 | 0 | 0 | 0 | 115.3 | G943 | L941-G943 VanDerWaalsContact C-N 3.28Å; L941-G943 PolarHBondContact O-N 3.31Å |
| 942 | I | 72.3 | Confident | 64.2 | Low | 132 Ų | 132 | 131.8 Ų | 131.8 | 68% | 0.677 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67 | -24.7 | -173.8 | -63.9 | 171.3 | 0 | 0 | 0 | 112.5 | I940 V944 V946 | I940-I942 PolarHBondContact O-N 2.92Å; I942-V944 PolarHBondContact O-N 3.33Å; I942-V946 WeakPolarHBondContact O-CG2 3.46Å |
| 943 | G | 72.7 | Confident | 66.8 | Low | 43 Ų | 43 | 127.2 Ų | 127.2 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -69.9 | -25.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | I940 L941 S947 | I940-G943 PolarHBondContact O-N 2.96Å; L941-G943 VanDerWaalsContact C-N 3.28Å; L941-G943 PolarHBondContact O-N 3.31Å; G943-S947 PolarHBondContact O-N 2.91Å; G943-S947 PolarHBondContact O-OG 2.71Å |
| 944 | V | 75.5 | Confident | 69 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.9 | -46.3 | -166.9 | -176.6 | 0 | 0 | 0 | 0 | 112.8 | I942 V946 S947 V948 | I942-V944 PolarHBondContact O-N 3.33Å; V944-V946 VanDerWaalsContact C-N 3.35Å; V944-V946 PolarHBondContact O-N 2.89Å; V944-S947 WeakPolarHBondContact O-CB 3.43Å; V944-S947 PolarHBondContact O-N 3.4Å; V944-S947 VanDerWaalsContact O-N 3.16Å; V944-V948 PolarHBondContact O-N 3.2Å |
| 945 | S | 67.4 | Low | 71.4 | Confident | 86 Ų | 86 | 118.2 Ų | 118.2 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | 179.6 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | S947 V948 F949 | S945-S947 VanDerWaalsContact C-N 3.25Å; S945-S947 PolarHBondContact O-N 2.87Å; S945-V948 PolarHBondContact O-N 2.92Å; S945-F949 PolarHBondContact O-N 2.67Å |
| 946 | V | 79.1 | Confident | 73.2 | Confident | 75 Ų | 75 | 113.5 Ų | 113.5 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -54.5 | -42.7 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 111 | I942 V944 V948 I950 | I942-V946 WeakPolarHBondContact O-CG2 3.46Å; V944-V946 VanDerWaalsContact C-N 3.35Å; V944-V946 PolarHBondContact O-N 2.89Å; V946-V948 PolarHBondContact O-N 3.16Å; V946-I950 HydrophobicContact CG1-CD1 3.69Å; V946-I950 WeakPolarHBondContact O-CB 3.41Å; V946-I950 WeakPolarHBondContact O-CD1 3.1Å; V946-I950 VanDerWaalsContact O-CG1 3.25Å; V946-I950 WeakPolarHBondContact O-CG1 3.41Å; V946-I950 PolarHBondContact O-N 3.31Å; V946-I950 VanDerWaalsContact O-N 3.11Å |
| 947 | S | 77.5 | Confident | 74.7 | Confident | 64 Ų | 64 | 110.9 Ų | 110.9 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.9 | -41.5 | -178.4 | -60.6 | 0 | 0 | 0 | 0 | 113.1 | G943 V944 S945 I951 | G943-S947 PolarHBondContact O-N 2.91Å; G943-S947 PolarHBondContact O-OG 2.71Å; V944-S947 WeakPolarHBondContact O-CB 3.43Å; V944-S947 PolarHBondContact O-N 3.4Å; V944-S947 VanDerWaalsContact O-N 3.16Å; S945-S947 VanDerWaalsContact C-N 3.25Å; S945-S947 PolarHBondContact O-N 2.87Å; S947-I951 WeakPolarHBondContact O-CG1 3.3Å; S947-I951 PolarHBondContact O-N 3.26Å |
| 948 | V | 77.1 | Confident | 76.2 | Confident | 83 Ų | 83 | 105.7 Ų | 105.7 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.5 | -41.3 | -178.9 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | V944 S945 V946 I950 I951 I952 | V944-V948 PolarHBondContact O-N 3.2Å; S945-V948 PolarHBondContact O-N 2.92Å; V946-V948 PolarHBondContact O-N 3.16Å; V948-I950 VanDerWaalsContact C-N 3.32Å; V948-I950 PolarHBondContact O-N 2.73Å; V948-I951 PolarHBondContact O-N 2.85Å; V948-I951 VanDerWaalsContact O-N 3.17Å; V948-I952 HydrophobicContact CG1-CD1 4.43Å; V948-I952 PolarHBondContact O-N 3.04Å; V948-I952 VanDerWaalsContact O-N 3.16Å |
| 949 | F | 80 | Confident | 77 | Confident | 165 Ų | 165 | 104.4 Ų | 104.4 | 72% | 0.724 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.6 | -39.4 | 177.7 | -164.3 | -91.2 | 0 | 0 | 0 | 111.6 | S945 I951 I952 A953 | S945-F949 PolarHBondContact O-N 2.67Å; F949-I951 PolarHBondContact O-N 3.29Å; F949-I952 PolarHBondContact O-N 3.13Å; F949-A953 WeakPolarHBondContact O-CB 3.43Å; F949-A953 PolarHBondContact O-N 2.78Å |
| 950 | I | 82.1 | Confident | 77.5 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 45% | 0.451 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 172.6 | -73.1 | 169.6 | 0 | 0 | 0 | 111.4 | V946 V948 A953 L954 | V946-I950 HydrophobicContact CG1-CD1 3.69Å; V946-I950 WeakPolarHBondContact O-CB 3.41Å; V946-I950 WeakPolarHBondContact O-CD1 3.1Å; V946-I950 VanDerWaalsContact O-CG1 3.25Å; V946-I950 WeakPolarHBondContact O-CG1 3.41Å; V946-I950 PolarHBondContact O-N 3.31Å; V946-I950 VanDerWaalsContact O-N 3.11Å; V948-I950 VanDerWaalsContact C-N 3.32Å; V948-I950 PolarHBondContact O-N 2.73Å; I950-A953 PolarHBondContact O-N 2.79Å; I950-L954 HydrophobicContact CG2-CD1 3.69Å; I950-L954 HydrophobicContact CG2-CG 4.22Å; I950-L954 WeakPolarHBondContact O-CB 3.34Å; I950-L954 VanDerWaalsContact O-CG 3.22Å; I950-L954 WeakPolarHBondContact O-CG 3.38Å; I950-L954 PolarHBondContact O-N 3.2Å |
| 951 | I | 82.1 | Confident | 78 | Confident | 103 Ų | 103 | 92.9 Ų | 92.9 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 179.5 | -69.5 | 164.2 | 0 | 0 | 0 | 111.6 | S947 V948 F949 L954 V955 | S947-I951 WeakPolarHBondContact O-CG1 3.3Å; S947-I951 PolarHBondContact O-N 3.26Å; V948-I951 PolarHBondContact O-N 2.85Å; V948-I951 VanDerWaalsContact O-N 3.17Å; F949-I951 PolarHBondContact O-N 3.29Å; I951-L954 PolarHBondContact O-N 3.11Å; I951-V955 WeakPolarHBondContact O-CG2 3.17Å; I951-V955 PolarHBondContact O-N 3.45Å |
| 952 | I | 78.6 | Confident | 78.8 | Confident | 108 Ų | 108 | 88.6 Ų | 88.6 | 55% | 0.554 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 179.7 | -63.6 | 175 | 0 | 0 | 0 | 110.7 | V948 F949 L954 V955 T956 | V948-I952 HydrophobicContact CG1-CD1 4.43Å; V948-I952 PolarHBondContact O-N 3.04Å; V948-I952 VanDerWaalsContact O-N 3.16Å; F949-I952 PolarHBondContact O-N 3.13Å; I952-L954 VanDerWaalsContact C-N 3.33Å; I952-L954 PolarHBondContact O-N 3.46Å; I952-V955 PolarHBondContact O-N 2.71Å; I952-T956 PolarHBondContact O-N 2.82Å; I952-T956 PolarHBondContact O-OG1 3.2Å |
| 953 | A | 81.7 | Confident | 78.9 | Confident | 33 Ų | 33 | 87.6 Ų | 87.6 | 27% | 0.273 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F949 I950 T956 I957 | F949-A953 WeakPolarHBondContact O-CB 3.43Å; F949-A953 PolarHBondContact O-N 2.78Å; I950-A953 PolarHBondContact O-N 2.79Å; A953-T956 PolarHBondContact O-OG1 3.45Å; A953-I957 VanDerWaalsContact O-CB 3.24Å; A953-I957 WeakPolarHBondContact O-CB 3.28Å; A953-I957 WeakPolarHBondContact O-CD1 3.32Å; A953-I957 WeakPolarHBondContact O-CG1 3.45Å; A953-I957 PolarHBondContact O-N 3.18Å |
| 954 | L | 84.7 | Confident | 79.1 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.4 | -76.9 | 170.1 | 0 | 0 | 0 | 111.8 | I950 I951 I952 I958 | I950-L954 HydrophobicContact CG2-CD1 3.69Å; I950-L954 HydrophobicContact CG2-CG 4.22Å; I950-L954 WeakPolarHBondContact O-CB 3.34Å; I950-L954 VanDerWaalsContact O-CG 3.22Å; I950-L954 WeakPolarHBondContact O-CG 3.38Å; I950-L954 PolarHBondContact O-N 3.2Å; I951-L954 PolarHBondContact O-N 3.11Å; I952-L954 VanDerWaalsContact C-N 3.33Å; I952-L954 PolarHBondContact O-N 3.46Å; L954-I958 VanDerWaalsContact O-CB 3.29Å; L954-I958 WeakPolarHBondContact O-CB 3.33Å; L954-I958 WeakPolarHBondContact O-CD1 3.42Å; L954-I958 WeakPolarHBondContact O-CG1 3.37Å; L954-I958 PolarHBondContact O-N 3.36Å |
| 955 | V | 81.9 | Confident | 78.9 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | I951 I952 I958 L959 | I951-V955 WeakPolarHBondContact O-CG2 3.17Å; I951-V955 PolarHBondContact O-N 3.45Å; I952-V955 PolarHBondContact O-N 2.71Å; V955-I958 PolarHBondContact O-N 2.78Å; V955-L959 WeakPolarHBondContact O-CB 3.4Å; V955-L959 PolarHBondContact O-N 3.41Å |
| 956 | T | 79.8 | Confident | 79.2 | Confident | 79 Ų | 79 | 95.1 Ų | 95.1 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 176.8 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | I952 A953 L959 V960 | I952-T956 PolarHBondContact O-N 2.82Å; I952-T956 PolarHBondContact O-OG1 3.2Å; A953-T956 PolarHBondContact O-OG1 3.45Å; T956-L959 PolarHBondContact O-N 3.04Å; T956-V960 WeakPolarHBondContact O-CB 3.3Å; T956-V960 WeakPolarHBondContact O-CG2 3.43Å; T956-V960 PolarHBondContact O-N 2.98Å |
| 957 | I | 83.5 | Confident | 78.6 | Confident | 98 Ų | 98 | 94.3 Ų | 94.3 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 171.8 | -71.5 | 166.3 | 0 | 0 | 0 | 110.6 | A953 L959 V961 | A953-I957 VanDerWaalsContact O-CB 3.24Å; A953-I957 WeakPolarHBondContact O-CB 3.28Å; A953-I957 WeakPolarHBondContact O-CD1 3.32Å; A953-I957 WeakPolarHBondContact O-CG1 3.45Å; A953-I957 PolarHBondContact O-N 3.18Å; I957-L959 VanDerWaalsContact C-N 3.34Å; I957-L959 PolarHBondContact O-N 2.99Å; I957-V961 HydrophobicContact CG2-CG2 4.21Å; I957-V961 WeakPolarHBondContact O-CB 3.45Å; I957-V961 WeakPolarHBondContact O-CG2 3.32Å; I957-V961 PolarHBondContact O-N 2.86Å |
| 958 | I | 83.1 | Confident | 78.1 | Confident | 100 Ų | 100 | 94 Ų | 94 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.6 | -74.6 | 163.1 | 0 | 0 | 0 | 110.7 | L954 V955 V961 C962 | L954-I958 VanDerWaalsContact O-CB 3.29Å; L954-I958 WeakPolarHBondContact O-CB 3.33Å; L954-I958 WeakPolarHBondContact O-CD1 3.42Å; L954-I958 WeakPolarHBondContact O-CG1 3.37Å; L954-I958 PolarHBondContact O-N 3.36Å; V955-I958 PolarHBondContact O-N 2.78Å; I958-V961 CarbonylContact O-C 3.59Å; I958-V961 PolarHBondContact O-N 3.02Å; I958-C962 WeakPolarHBondContact O-CB 3.38Å; I958-C962 PolarHBondContact O-N 2.89Å; I958-C962 PolarHBondContact O-SG 3.49Å |
| 959 | L | 80.4 | Confident | 77.4 | Confident | 102 Ų | 102 | 92.7 Ų | 92.7 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -44.4 | -177.3 | -155.8 | 158.2 | 0 | 0 | 0 | 111.6 | V955 T956 I957 V961 C962 L963 | V955-L959 WeakPolarHBondContact O-CB 3.4Å; V955-L959 PolarHBondContact O-N 3.41Å; T956-L959 PolarHBondContact O-N 3.04Å; I957-L959 VanDerWaalsContact C-N 3.34Å; I957-L959 PolarHBondContact O-N 2.99Å; L959-V961 VanDerWaalsContact C-N 3.34Å; L959-V961 PolarHBondContact O-N 3.21Å; L959-C962 PolarHBondContact O-N 2.83Å; L959-L963 HydrophobicContact CD2-CD1 3.65Å; L959-L963 HydrophobicContact CD2-CG 4.04Å; L959-L963 PolarHBondContact O-N 3.08Å |
| 960 | V | 79.8 | Confident | 76.8 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62 | -41.4 | 172.6 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | T956 C962 K964 | T956-V960 WeakPolarHBondContact O-CB 3.3Å; T956-V960 WeakPolarHBondContact O-CG2 3.43Å; T956-V960 PolarHBondContact O-N 2.98Å; V960-C962 VanDerWaalsContact C-N 3.35Å; V960-K964 WeakPolarHBondContact O-CB 3.16Å; V960-K964 PolarHBondContact O-N 2.76Å |
| 961 | V | 79 | Confident | 76 | Confident | 56 Ų | 56 | 91.2 Ų | 91.2 | 34% | 0.339 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 174.7 | 166.9 | 0 | 0 | 0 | 0 | 111.4 | I957 I958 L959 R965 | I957-V961 HydrophobicContact CG2-CG2 4.21Å; I957-V961 WeakPolarHBondContact O-CB 3.45Å; I957-V961 WeakPolarHBondContact O-CG2 3.32Å; I957-V961 PolarHBondContact O-N 2.86Å; I958-V961 CarbonylContact O-C 3.59Å; I958-V961 PolarHBondContact O-N 3.02Å; L959-V961 VanDerWaalsContact C-N 3.34Å; L959-V961 PolarHBondContact O-N 3.21Å; V961-R965 HydrophobicContact CG1-CG 4.26Å; V961-R965 WeakPolarHBondContact O-CB 3.32Å; V961-R965 WeakPolarHBondContact O-CG 3.35Å; V961-R965 PolarHBondContact O-N 2.91Å |
| 962 | C | 75.6 | Confident | 75.3 | Confident | 70 Ų | 70 | 87.9 Ų | 87.9 | 47% | 0.473 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 176.1 | -78.2 | 0 | 0 | 0 | 0 | 112.3 | I958 L959 V960 R965 K966 | I958-C962 WeakPolarHBondContact O-CB 3.38Å; I958-C962 PolarHBondContact O-N 2.89Å; I958-C962 PolarHBondContact O-SG 3.49Å; L959-C962 PolarHBondContact O-N 2.83Å; V960-C962 VanDerWaalsContact C-N 3.35Å; C962-R965 PolarHBondContact O-N 3.36Å; C962-K966 WeakPolarHBondContact O-CB 3.27Å; C962-K966 PolarHBondContact O-N 3.43Å |
| 963 | L | 75.6 | Confident | 74.7 | Confident | 111 Ų | 111 | 87.6 Ų | 87.6 | 58% | 0.581 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 174.6 | -70.2 | 176.4 | 0 | 0 | 0 | 111.3 | L959 R965 K966 A967 | L959-L963 HydrophobicContact CD2-CD1 3.65Å; L959-L963 HydrophobicContact CD2-CG 4.04Å; L959-L963 PolarHBondContact O-N 3.08Å; L963-R965 PolarHBondContact O-N 2.96Å; L963-K966 PolarHBondContact O-N 2.85Å; L963-A967 PolarHBondContact O-N 2.76Å |
| 964 | K | 75.7 | Confident | 73.8 | Confident | 130 Ų | 130 | 92.5 Ų | 92.5 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 174.1 | -178.8 | 171 | 175.1 | 174.2 | 0 | 111.8 | V960 K966 A967 E968 | V960-K964 WeakPolarHBondContact O-CB 3.16Å; V960-K964 PolarHBondContact O-N 2.76Å; K964-K966 VanDerWaalsContact C-N 3.35Å; K964-K966 PolarHBondContact O-N 2.65Å; K964-A967 PolarHBondContact O-N 3.27Å; K964-E968 WeakPolarHBondContact CE-OE1 3.03Å; K964-E968 HydrophobicContact CG-CG 4.36Å; K964-E968 VanDerWaalsContact O-CB 3.27Å; K964-E968 WeakPolarHBondContact O-CB 3.37Å; K964-E968 VanDerWaalsContact O-CG 3.22Å; K964-E968 WeakPolarHBondContact O-CG 3.19Å; K964-E968 PolarHBondContact O-N 2.94Å |
| 965 | R | 72.8 | Confident | 72.7 | Confident | 142 Ų | 142 | 92.4 Ų | 92.4 | 54% | 0.536 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -35.1 | 174.7 | -80.6 | 173.1 | 178.8 | -167.3 | 1.9 | 112.8 | V961 C962 L963 A969 | V961-R965 HydrophobicContact CG1-CG 4.26Å; V961-R965 WeakPolarHBondContact O-CB 3.32Å; V961-R965 WeakPolarHBondContact O-CG 3.35Å; V961-R965 PolarHBondContact O-N 2.91Å; C962-R965 PolarHBondContact O-N 3.36Å; L963-R965 PolarHBondContact O-N 2.96Å; R965-A969 VanDerWaalsContact O-CB 3.24Å; R965-A969 WeakPolarHBondContact O-CB 3.47Å; R965-A969 PolarHBondContact O-N 2.03Å |
| 966 | K | 73 | Confident | 72 | Confident | 121 Ų | 121 | 88.4 Ų | 88.4 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.9 | -50.3 | 175.5 | -173.7 | -178.2 | 167.3 | -175.2 | 0 | 110.4 | C962 L963 K964 E968 A969 E970 | C962-K966 WeakPolarHBondContact O-CB 3.27Å; C962-K966 PolarHBondContact O-N 3.43Å; L963-K966 PolarHBondContact O-N 2.85Å; K964-K966 VanDerWaalsContact C-N 3.35Å; K964-K966 PolarHBondContact O-N 2.65Å; K966-E968 PolarHBondContact O-N 3.14Å; K966-A969 PolarHBondContact O-N 3.11Å; K966-E970 WeakPolarHBondContact CE-OE1 3.43Å; K966-E970 WeakPolarHBondContact CE-OE2 3.38Å; K966-E970 IonicContact NZ-OE1 3.1Å; K966-E970 PolarHBondContact NZ-OE1 2.62Å; K966-E970 PolarHBondContact O-N 3.34Å |
| 967 | A | 65.8 | Low | 71.2 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L963 K964 K971 | L963-A967 PolarHBondContact O-N 2.76Å; K964-A967 PolarHBondContact O-N 3.27Å; A967-K971 VanDerWaalsContact O-CB 3.22Å; A967-K971 WeakPolarHBondContact O-CB 3.02Å; A967-K971 PolarHBondContact O-N 2.84Å |
| 968 | E | 67.4 | Low | 69.9 | Low | 58 Ų | 58 | 86 Ų | 86 | 27% | 0.271 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 169.4 | -79.5 | 172.4 | -172.8 | 0 | 0 | 111.2 | K964 K966 I972 R1046 | K964-E968 WeakPolarHBondContact CE-OE1 3.03Å; K964-E968 HydrophobicContact CG-CG 4.36Å; K964-E968 VanDerWaalsContact O-CB 3.27Å; K964-E968 WeakPolarHBondContact O-CB 3.37Å; K964-E968 VanDerWaalsContact O-CG 3.22Å; K964-E968 WeakPolarHBondContact O-CG 3.19Å; K964-E968 PolarHBondContact O-N 2.94Å; K966-E968 PolarHBondContact O-N 3.14Å; E968-I972 WeakPolarHBondContact O-CB 3.22Å; E968-I972 WeakPolarHBondContact O-CD1 3.24Å; E968-I972 WeakPolarHBondContact O-CG1 3.25Å; E968-I972 PolarHBondContact O-N 2.85Å; E968-R1046 IonicContact OE2-CZ 2.65Å; E968-R1046 IonicContact OE2-NH1 2.9Å; E968-R1046 PolarHBondContact OE2-NH1 2.98Å; E968-R1046 IonicContact OE2-NH2 3.59Å; E968-R1046 PolarHBondContact OE2-NH2 3.22Å |
| 969 | A | 63.7 | Low | 68.7 | Low | 55 Ų | 55 | 81.9 Ų | 81.9 | 46% | 0.455 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R965 K966 I972 R973 | R965-A969 VanDerWaalsContact O-CB 3.24Å; R965-A969 WeakPolarHBondContact O-CB 3.47Å; R965-A969 PolarHBondContact O-N 2.03Å; K966-A969 PolarHBondContact O-N 3.11Å; A969-I972 PolarHBondContact O-N 3.34Å; A969-R973 WeakPolarHBondContact O-CB 3.32Å; A969-R973 PolarHBondContact O-N 3.11Å |
| 970 | E | 67.1 | Low | 67.8 | Low | 97 Ų | 97 | 77.5 Ų | 77.5 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 175 | -74.1 | 169.5 | 158.6 | 0 | 0 | 110.2 | K966 I972 R973 E974 | K966-E970 WeakPolarHBondContact CE-OE1 3.43Å; K966-E970 WeakPolarHBondContact CE-OE2 3.38Å; K966-E970 IonicContact NZ-OE1 3.1Å; K966-E970 PolarHBondContact NZ-OE1 2.62Å; K966-E970 PolarHBondContact O-N 3.34Å; E970-I972 PolarHBondContact O-N 3.23Å; E970-R973 WeakPolarHBondContact O-CB 3.08Å; E970-R973 PolarHBondContact O-N 3.5Å; E970-E974 PolarHBondContact O-N 3.03Å |
| 971 | K | 64.8 | Low | 66.5 | Low | 124 Ų | 124 | 75.1 Ų | 75.1 | 54% | 0.539 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 173.4 | -176.5 | 164.9 | -177 | 163.5 | 0 | 113 | A967 R973 E974 Q975 | A967-K971 VanDerWaalsContact O-CB 3.22Å; A967-K971 WeakPolarHBondContact O-CB 3.02Å; A967-K971 PolarHBondContact O-N 2.84Å; K971-R973 VanDerWaalsContact C-N 3.33Å; K971-E974 PolarHBondContact O-N 2.96Å; K971-Q975 HydrophobicContact CG-CG 4.3Å; K971-Q975 VanDerWaalsContact O-CB 3.29Å; K971-Q975 WeakPolarHBondContact O-CB 3.44Å; K971-Q975 VanDerWaalsContact O-CG 3.25Å; K971-Q975 WeakPolarHBondContact O-CG 3.21Å; K971-Q975 PolarHBondContact O-N 2.81Å |
| 972 | I | 67.3 | Low | 64.8 | Low | 34 Ų | 34 | 78 Ų | 78 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 173.7 | -73.1 | 164.7 | 0 | 0 | 0 | 110.9 | E968 A969 E970 L976 W1044 A1048 | E968-I972 WeakPolarHBondContact O-CB 3.22Å; E968-I972 WeakPolarHBondContact O-CD1 3.24Å; E968-I972 WeakPolarHBondContact O-CG1 3.25Å; E968-I972 PolarHBondContact O-N 2.85Å; A969-I972 PolarHBondContact O-N 3.34Å; E970-I972 PolarHBondContact O-N 3.23Å; I972-L976 HydrophobicContact CG2-CD1 3.97Å; I972-L976 HydrophobicContact CG2-CG 4.45Å; I972-L976 VanDerWaalsContact O-CB 3.24Å; I972-L976 WeakPolarHBondContact O-CB 3.47Å; I972-L976 VanDerWaalsContact O-CG 3.26Å; I972-L976 WeakPolarHBondContact O-CG 3.49Å; I972-L976 PolarHBondContact O-N 3.04Å; I972-W1044 HydrophobicContact CG2-CD2 4.18Å; I972-W1044 HydrophobicContact CG2-CE3 4.39Å; I972-A1048 HydrophobicContact CG2-CB 4.34Å |
| 973 | R | 65.3 | Low | 63.4 | Low | 102 Ų | 102 | 76.8 Ų | 76.8 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 177.2 | -171.1 | 171.1 | 170.7 | 110.9 | -13.5 | 112 | A969 E970 K971 R977 Q1049 D1051 | A969-R973 WeakPolarHBondContact O-CB 3.32Å; A969-R973 PolarHBondContact O-N 3.11Å; E970-R973 WeakPolarHBondContact O-CB 3.08Å; E970-R973 PolarHBondContact O-N 3.5Å; K971-R973 VanDerWaalsContact C-N 3.33Å; R973-R977 PolarHBondContact O-N 2.99Å; R973-Q1049 PolarHBondContact NH1-O 2.92Å; R973-D1051 IonicContact CZ-OD1 3.82Å; R973-D1051 IonicContact NH1-OD1 2.69Å; R973-D1051 PolarHBondContact NH1-OD1 2.92Å; R973-D1051 IonicContact NH2-OD1 2.75Å; R973-D1051 PolarHBondContact NH2-OD1 3.04Å; R973-D1051 IonicContact NH2-OD2 2.74Å; R973-D1051 PolarHBondContact NH2-OD2 2.84Å |
| 974 | E | 63.2 | Low | 61.9 | Low | 136 Ų | 136 | 76.5 Ų | 76.5 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.2 | -44.7 | 171.1 | -71.4 | 178.7 | 162.1 | 0 | 0 | 112.3 | E970 K971 L976 R977 S978 | E970-E974 PolarHBondContact O-N 3.03Å; K971-E974 PolarHBondContact O-N 2.96Å; E974-L976 VanDerWaalsContact C-N 3.29Å; E974-L976 PolarHBondContact O-N 3.22Å; E974-R977 PolarHBondContact O-N 3.27Å; E974-S978 WeakPolarHBondContact O-CB 3.27Å; E974-S978 PolarHBondContact O-N 2.84Å |
| 975 | Q | 62.8 | Low | 60.2 | Low | 87 Ų | 87 | 78 Ų | 78 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.5 | -31.5 | 175.9 | -72 | -174.9 | -52.7 | 0 | 0 | 112 | K971 A979 W1044 | K971-Q975 HydrophobicContact CG-CG 4.3Å; K971-Q975 VanDerWaalsContact O-CB 3.29Å; K971-Q975 WeakPolarHBondContact O-CB 3.44Å; K971-Q975 VanDerWaalsContact O-CG 3.25Å; K971-Q975 WeakPolarHBondContact O-CG 3.21Å; K971-Q975 PolarHBondContact O-N 2.81Å; Q975-A979 WeakPolarHBondContact O-CB 3.02Å; Q975-A979 PolarHBondContact O-N 3.08Å; Q975-W1044 HydrophobicContact CB-CH2 3.67Å; Q975-W1044 HydrophobicContact CB-CZ2 3.51Å; Q975-W1044 HydrophobicContact CG-CZ2 4.49Å |
| 976 | L | 65.6 | Low | 58.8 | Low | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.6 | -52.6 | 167.5 | -85.2 | 164.3 | 0 | 0 | 0 | 110.8 | I972 E974 S978 A979 Y980 V1034 L1039 W1044 A1048 | I972-L976 HydrophobicContact CG2-CD1 3.97Å; I972-L976 HydrophobicContact CG2-CG 4.45Å; I972-L976 VanDerWaalsContact O-CB 3.24Å; I972-L976 WeakPolarHBondContact O-CB 3.47Å; I972-L976 VanDerWaalsContact O-CG 3.26Å; I972-L976 WeakPolarHBondContact O-CG 3.49Å; I972-L976 PolarHBondContact O-N 3.04Å; E974-L976 VanDerWaalsContact C-N 3.29Å; E974-L976 PolarHBondContact O-N 3.22Å; L976-S978 VanDerWaalsContact C-N 3.27Å; L976-S978 PolarHBondContact O-N 2.71Å; L976-A979 PolarHBondContact O-N 2.68Å; L976-A979 VanDerWaalsContact O-N 3.09Å; L976-Y980 HydrophobicContact CD2-CD2 4.19Å; L976-Y980 HydrophobicContact CD2-CE2 3.76Å; L976-Y980 WeakPolarHBondContact O-CD2 3.46Å; L976-Y980 PolarHBondContact O-N 3.37Å; L976-V1034 HydrophobicContact CD1-CG2 4.47Å; L976-V1034 HydrophobicContact CD2-CG1 4.39Å; L976-V1034 HydrophobicContact CD2-CG2 4.46Å; L976-L1039 HydrophobicContact CD1-CD2 4.27Å; L976-L1039 HydrophobicContact CD2-CD2 3.98Å; L976-W1044 HydrophobicContact CD2-CE3 4.14Å; L976-W1044 HydrophobicContact CD2-CH2 4.49Å; L976-W1044 HydrophobicContact CD2-CZ3 3.55Å; L976-W1044 HydrophobicContact CG-CE3 4.18Å; L976-W1044 HydrophobicContact CG-CH2 4.17Å; L976-W1044 HydrophobicContact CG-CZ3 3.56Å; L976-A1048 HydrophobicContact CD1-CB 3.48Å; L976-A1048 VanDerWaalsContact CD1-CB 3.48Å |
| 977 | R | 63.9 | Low | 57.2 | Low | 67 Ų | 67 | 69.7 Ų | 69.7 | 25% | 0.253 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55 | -47.8 | 178.1 | -158.9 | -177.9 | -154 | 150.2 | 11.8 | 110.4 | R973 E974 A979 Y980 T981 F1132 E1134 | R973-R977 PolarHBondContact O-N 2.99Å; E974-R977 PolarHBondContact O-N 3.27Å; R977-A979 PolarHBondContact O-N 3.19Å; R977-Y980 CarbonylContact O-C 3.6Å; R977-Y980 PolarHBondContact O-N 2.94Å; R977-T981 WeakPolarHBondContact O-CB 3.27Å; R977-T981 WeakPolarHBondContact O-CG2 3.36Å; R977-T981 PolarHBondContact O-N 2.76Å; R977-T981 PolarHBondContact O-OG1 3.18Å; R977-T981 VanDerWaalsContact O-OG1 3.05Å; R977-F1132 PolarHBondContact NH2-O 2.74Å; R977-E1134 IonicContact CZ-OE1 3.09Å; R977-E1134 IonicContact NH1-OE1 3.52Å; R977-E1134 PolarHBondContact NH1-OE1 2.96Å; R977-E1134 IonicContact NH2-OE1 2.71Å; R977-E1134 PolarHBondContact NH2-OE1 2.75Å |
| 978 | S | 55.8 | Low | 56.3 | Low | 59 Ų | 59 | 70.1 Ų | 70.1 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176 | -175.2 | 0 | 0 | 0 | 0 | 113.4 | E974 L976 T981 N982 | E974-S978 WeakPolarHBondContact O-CB 3.27Å; E974-S978 PolarHBondContact O-N 2.84Å; L976-S978 VanDerWaalsContact C-N 3.27Å; L976-S978 PolarHBondContact O-N 2.71Å; S978-T981 WeakPolarHBondContact CA-OG1 3.41Å; S978-T981 PolarHBondContact O-N 2.92Å; S978-T981 PolarHBondContact O-OG1 2.78Å; S978-N982 VanDerWaalsContact O-CB 3.26Å; S978-N982 WeakPolarHBondContact O-CB 3.28Å; S978-N982 PolarHBondContact O-N 2.74Å; S978-N982 PolarHBondContact O-ND2 2.99Å; S978-N982 PolarHBondContact OG-ND2 2.86Å |
| 979 | A | 57.3 | Low | 55.2 | Low | 13 Ų | 13 | 71.7 Ų | 71.7 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.9 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q975 L976 R977 L983 Y1042 | Q975-A979 WeakPolarHBondContact O-CB 3.02Å; Q975-A979 PolarHBondContact O-N 3.08Å; L976-A979 PolarHBondContact O-N 2.68Å; L976-A979 VanDerWaalsContact O-N 3.09Å; R977-A979 PolarHBondContact O-N 3.19Å; A979-L983 VanDerWaalsContact O-CA 3.3Å; A979-L983 WeakPolarHBondContact O-CA 3.26Å; A979-L983 PolarHBondContact O-N 2.8Å; A979-Y1042 HydrophobicContact CB-CD1 4.28Å; A979-Y1042 HydrophobicContact CB-CE1 3.7Å; A979-Y1042 HydrophobicContact CB-CE2 4.3Å |
| 980 | Y | 62.6 | Low | 54.3 | Low | 11 Ų | 11 | 73 Ų | 73 | 4% | 0.043 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -91 | -13.6 | 176.1 | -74.5 | -90.4 | 0 | 0 | 0 | 113.6 | L976 R977 L983 W1032 I1117 | L976-Y980 HydrophobicContact CD2-CD2 4.19Å; L976-Y980 HydrophobicContact CD2-CE2 3.76Å; L976-Y980 WeakPolarHBondContact O-CD2 3.46Å; L976-Y980 PolarHBondContact O-N 3.37Å; R977-Y980 CarbonylContact O-C 3.6Å; R977-Y980 PolarHBondContact O-N 2.94Å; Y980-L983 HydrophobicContact CD1-CD1 3.67Å; Y980-L983 HydrophobicContact CD1-CG 4.34Å; Y980-L983 HydrophobicContact CE1-CD1 4.34Å; Y980-L983 HydrophobicContact CG-CD1 4.42Å; Y980-W1032 HydrophobicContact CE1-CH2 4.11Å; Y980-W1032 AromaticContact CE1-CZ3 3.94Å; Y980-W1032 HydrophobicContact CE1-CZ3 3.94Å; Y980-W1032 HydrophobicContact CE2-CZ3 4.42Å; Y980-W1032 AromaticContact CZ-CH2 3.99Å; Y980-W1032 AromaticContact CZ-CZ3 3.82Å; Y980-I1117 HydrophobicContact CD1-CG1 4.31Å; Y980-I1117 HydrophobicContact CD1-CG2 4.01Å; Y980-I1117 HydrophobicContact CE1-CG2 3.97Å |
| 981 | T | 51.4 | Low | 52.9 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -89.4 | -33.8 | 167.1 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | R977 S978 L983 I1131 | R977-T981 WeakPolarHBondContact O-CB 3.27Å; R977-T981 WeakPolarHBondContact O-CG2 3.36Å; R977-T981 PolarHBondContact O-N 2.76Å; R977-T981 PolarHBondContact O-OG1 3.18Å; R977-T981 VanDerWaalsContact O-OG1 3.05Å; S978-T981 WeakPolarHBondContact CA-OG1 3.41Å; S978-T981 PolarHBondContact O-N 2.92Å; S978-T981 PolarHBondContact O-OG1 2.78Å; T981-L983 VanDerWaalsContact C-N 3.31Å; T981-I1131 HydrophobicContact CG2-CD1 3.75Å |
| 982 | N | 44 | Very low | 52 | Low | 115 Ų | 115 | 75.1 Ų | 75.1 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -100.6 | 37 | 173.1 | -54.8 | -72.6 | 0 | 0 | 0 | 110.5 | S978 | S978-N982 VanDerWaalsContact O-CB 3.26Å; S978-N982 WeakPolarHBondContact O-CB 3.28Å; S978-N982 PolarHBondContact O-N 2.74Å; S978-N982 PolarHBondContact O-ND2 2.99Å; S978-N982 PolarHBondContact OG-ND2 2.86Å |
| 983 | L | 45.7 | Very low | 51 | Low | 46 Ų | 46 | 79 Ų | 79 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | trans | -60.9 | 142.6 | -175.7 | -130.2 | 174.2 | 0 | 0 | 0 | 110 | A979 Y980 T981 M1109 | A979-L983 VanDerWaalsContact O-CA 3.3Å; A979-L983 WeakPolarHBondContact O-CA 3.26Å; A979-L983 PolarHBondContact O-N 2.8Å; Y980-L983 HydrophobicContact CD1-CD1 3.67Å; Y980-L983 HydrophobicContact CD1-CG 4.34Å; Y980-L983 HydrophobicContact CE1-CD1 4.34Å; Y980-L983 HydrophobicContact CG-CD1 4.42Å; T981-L983 VanDerWaalsContact C-N 3.31Å; L983-M1109 WeakPolarHBondContact O-CE 3.32Å | ||
| 984 | L | 43.8 | Very low | 50.3 | Low | 104 Ų | 104 | 75.9 Ų | 75.9 | 55% | 0.545 | 40% | 0.404 | S | S | . | . | trans | -56.5 | 150.6 | -170.5 | -69.5 | 76.2 | 0 | 0 | 0 | 112.5 | ||||
| 985 | E | 40.7 | Very low | 50.1 | Low | 163 Ų | 163 | 72 Ų | 72 | 76% | 0.762 | 38% | 0.383 | S | S | * | . | trans | -42.6 | 121 | 174 | -64.5 | -172 | 134.6 | 0 | 0 | 111.9 | D987 M1109 | E985-D987 PolarHBondContact O-N 3Å; E985-M1109 VanDerWaalsContact CA-SD 3.55Å | ||
| 986 | P | 43.7 | Very low | 50 | Low | 30 Ų | 30 | 70.8 Ų | 70.8 | 20% | 0.195 | 38% | 0.377 | C | S | . | . | trans | -64.3 | 135.8 | 169 | 27.7 | -33.4 | 0 | 0 | 0 | 107.5 | M988 M1109 | P986-M988 VanDerWaalsContact C-N 3.3Å; P986-M988 PolarHBondContact O-N 2.76Å; P986-M1109 WeakPolarHBondContact CD-SD 3.2Å; P986-M1109 HydrophobicContact CG-SD 4.47Å | ||
| 987 | D | 40.2 | Very low | 49.7 | Very low | 57 Ų | 57 | 70.8 Ų | 70.8 | 31% | 0.305 | 38% | 0.378 | S | S | . | . | trans | -58.3 | 101.2 | 164.8 | -89.2 | 22.6 | 0 | 0 | 0 | 106.9 | E985 N998 R1001 | E985-D987 PolarHBondContact O-N 3Å; D987-N998 HydrophobicContact CB-CB 3.99Å; D987-N998 VanDerWaalsContact O-CB 3.3Å; D987-N998 WeakPolarHBondContact O-CB 3.36Å; D987-N998 PolarHBondContact O-N 3.19Å; D987-R1001 IonicContact OD1-CZ 3.36Å; D987-R1001 IonicContact OD1-NH1 3.85Å; D987-R1001 PolarHBondContact OD1-NH1 2.9Å; D987-R1001 IonicContact OD1-NH2 2.71Å; D987-R1001 PolarHBondContact OD1-NH2 2.79Å; D987-R1001 IonicContact OD2-CZ 2.64Å; D987-R1001 IonicContact OD2-NE 3.36Å; D987-R1001 IonicContact OD2-NH1 2.73Å; D987-R1001 IonicContact OD2-NH2 3.85Å; D987-R1001 PolarHBondContact OD2-NH2 2.68Å | ||
| 988 | M | 45.9 | Very low | 49.6 | Very low | 68 Ų | 68 | 70.2 Ų | 70.2 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -60.8 | 135.5 | 156.4 | -58.7 | -160.4 | 76.3 | 0 | 0 | 106.3 | P986 T990 R995 R1171 | P986-M988 VanDerWaalsContact C-N 3.3Å; P986-M988 PolarHBondContact O-N 2.76Å; M988-T990 WeakPolarHBondContact O-CG2 3.23Å; M988-T990 PolarHBondContact O-N 3.11Å; M988-R995 VanDerWaalsContact CE-O 3.3Å; M988-R995 WeakPolarHBondContact CE-O 3.36Å; M988-R1171 PolarHBondContact SD-NH1 2.78Å |
| 989 | K | 45.2 | Very low | 50.2 | Low | 91 Ų | 91 | 70.5 Ų | 70.5 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | trans | -55 | 115.9 | -179.9 | -66.1 | 177.1 | -177.1 | 177.1 | 0 | 108.7 | Q991 E996 | K989-Q991 PolarHBondContact O-N 3.21Å; K989-Q991 VanDerWaalsContact O-O 3.11Å; K989-E996 HydrophobicContact CD-CB 4.35Å; K989-E996 PolarHBondContact N-O 3.38Å; K989-E996 IonicContact NZ-OE2 3.01Å; K989-E996 PolarHBondContact NZ-OE2 2.97Å | ||
| 990 | T | 43 | Very low | 50.4 | Low | 83 Ų | 83 | 71.7 Ų | 71.7 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -73.1 | 18.8 | -164.8 | 45.2 | 0 | 0 | 0 | 0 | 115.2 | M988 D1698 | M988-T990 WeakPolarHBondContact O-CG2 3.23Å; M988-T990 PolarHBondContact O-N 3.11Å; T990-D1698 WeakPolarHBondContact CB-OD1 3.47Å; T990-D1698 WeakPolarHBondContact CG2-OD1 3.46Å; T990-D1698 VanDerWaalsContact OG1-CG 3.24Å; T990-D1698 PolarHBondContact OG1-OD1 3.26Å |
| 991 | Q | 38.3 | Very low | 50.6 | Low | 161 Ų | 161 | 77.9 Ų | 77.9 | 75% | 0.752 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -94.7 | 119.9 | 162.6 | -65.8 | 177.9 | -8.8 | 0 | 0 | 107.7 | K989 V993 S994 | K989-Q991 PolarHBondContact O-N 3.21Å; K989-Q991 VanDerWaalsContact O-O 3.11Å; Q991-V993 PolarHBondContact O-N 3.49Å; Q991-S994 PolarHBondContact O-N 3.34Å |
| 992 | S | 46.1 | Very low | 51.5 | Low | 103 Ų | 103 | 77 Ų | 77 | 72% | 0.72 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 11.9 | -162.8 | 50.4 | 0 | 0 | 0 | 0 | 117.9 | R1205 | S992-R1205 PolarHBondContact O-NH2 3.02Š|
| 993 | V | 47.4 | Very low | 53.1 | Low | 115 Ų | 115 | 73.6 Ų | 73.6 | 70% | 0.697 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | -30.8 | -178 | -174.2 | 0 | 0 | 0 | 0 | 112 | Q991 | Q991-V993 PolarHBondContact O-N 3.49Š|
| 994 | S | 48.9 | Very low | 55 | Low | 38 Ų | 38 | 77 Ų | 77 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | trans | -88.6 | 125.9 | -168.3 | 177.6 | 0 | 0 | 0 | 0 | 113.7 | Q991 E996 | Q991-S994 PolarHBondContact O-N 3.34Å; S994-E996 VanDerWaalsContact C-N 3.31Å; S994-E996 WeakPolarHBondContact OG-CB 3.29Å; S994-E996 PolarHBondContact OG-N 3.28Å; S994-E996 VanDerWaalsContact OG-N 3.09Å | ||
| 995 | R | 59.2 | Low | 56.9 | Low | 55 Ų | 55 | 72.4 Ų | 72.4 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | trans | -77.5 | -13.7 | 165 | -78.7 | 171.6 | 166.4 | 142 | -6.4 | 113.5 | M988 R1171 M1201 L1202 R1204 | M988-R995 VanDerWaalsContact CE-O 3.3Å; M988-R995 WeakPolarHBondContact CE-O 3.36Å; R995-R1171 WeakPolarHBondContact CD-O 3.47Å; R995-R1171 PolarHBondContact NE-O 2.73Å; R995-M1201 HydrophobicContact CB-CE 4.4Å; R995-M1201 HydrophobicContact CB-CG 3.87Å; R995-M1201 HydrophobicContact CB-SD 3.58Å; R995-M1201 VanDerWaalsContact CB-SD 3.58Å; R995-M1201 WeakPolarHBondContact O-CE 3.25Å; R995-L1202 WeakPolarHBondContact CD-O 3.31Å; R995-L1202 PolarHBondContact NH1-O 2.94Å; R995-L1202 VanDerWaalsContact NH1-O 3.14Å; R995-R1204 PolarHBondContact NH1-O 2.96Å | ||
| 996 | E | 61.4 | Low | 58.9 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | trans | -70.4 | 142.4 | -173.6 | -51.5 | -173.4 | 132.3 | 0 | 0 | 113.7 | K989 S994 K1103 M1201 | K989-E996 HydrophobicContact CD-CB 4.35Å; K989-E996 PolarHBondContact N-O 3.38Å; K989-E996 IonicContact NZ-OE2 3.01Å; K989-E996 PolarHBondContact NZ-OE2 2.97Å; S994-E996 VanDerWaalsContact C-N 3.31Å; S994-E996 WeakPolarHBondContact OG-CB 3.29Å; S994-E996 PolarHBondContact OG-N 3.28Å; S994-E996 VanDerWaalsContact OG-N 3.09Å; E996-K1103 WeakPolarHBondContact OE1-CE 3.18Å; E996-K1103 IonicContact OE1-NZ 2.94Å; E996-K1103 PolarHBondContact OE1-NZ 2.76Å; E996-M1201 HydrophobicContact CG-SD 4.21Å | ||
| 997 | P | 59.5 | Low | 60.6 | Low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.019 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | 162.9 | 171.6 | 35.1 | -35.3 | 0 | 0 | 0 | 111.6 | M999 K1103 A1106 | P997-M999 PolarHBondContact O-N 2.84Å; P997-M999 VanDerWaalsContact O-N 3.11Å; P997-K1103 VanDerWaalsContact CG-O 3.27Å; P997-K1103 WeakPolarHBondContact CG-O 3.22Å; P997-A1106 HydrophobicContact CG-CB 4.41Å |
| 998 | N | 61.7 | Low | 62.7 | Low | 55 Ų | 55 | 72.4 Ų | 72.4 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | trans | -74.2 | 95.4 | 170 | -175.5 | -0.1 | 0 | 0 | 0 | 111.7 | D987 G1000 R1001 | D987-N998 HydrophobicContact CB-CB 3.99Å; D987-N998 VanDerWaalsContact O-CB 3.3Å; D987-N998 WeakPolarHBondContact O-CB 3.36Å; D987-N998 PolarHBondContact O-N 3.19Å; N998-G1000 PolarHBondContact O-N 3.12Å; N998-G1000 PolarHBondContact OD1-N 2.81Å; N998-R1001 PolarHBondContact O-N 3.07Å | ||
| 999 | M | 68.8 | Low | 64.5 | Low | 65 Ų | 65 | 70.7 Ų | 70.7 | 32% | 0.32 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -55.8 | -20.4 | 178.7 | -64.7 | -64.7 | -76.2 | 0 | 0 | 115 | P997 R1001 L1002 K1103 | P997-M999 PolarHBondContact O-N 2.84Å; P997-M999 VanDerWaalsContact O-N 3.11Å; M999-R1001 PolarHBondContact O-N 3.09Å; M999-L1002 HydrophobicContact CB-CD1 4.48Å; M999-L1002 HydrophobicContact CE-CD1 3.41Å; M999-L1002 VanDerWaalsContact CE-CD1 3.41Å; M999-L1002 PolarHBondContact O-N 2.92Å; M999-L1002 HydrophobicContact SD-CD1 3.79Å; M999-K1103 HydrophobicContact CE-CB 3.71Å; M999-K1103 HydrophobicContact CE-CG 4.35Å; M999-K1103 VanDerWaalsContact SD-CA 3.56Å; M999-K1103 HydrophobicContact SD-CB 3.57Å; M999-K1103 VanDerWaalsContact SD-CB 3.57Å; M999-K1103 HydrophobicContact SD-CG 3.69Å |
| 1000 | G | 61.6 | Low | 66.4 | Low | 37 Ų | 37 | 67.1 Ų | 67.1 | 38% | 0.381 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -66.5 | -20.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N998 L1002 | N998-G1000 PolarHBondContact O-N 3.12Å; N998-G1000 PolarHBondContact OD1-N 2.81Å; G1000-L1002 VanDerWaalsContact C-N 3.34Å |
| 1001 | R | 65.4 | Low | 68.5 | Low | 142 Ų | 142 | 68.3 Ų | 68.3 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -85.1 | 2.8 | 178 | -68.2 | -169.5 | 172.4 | 176 | 7.5 | 114.8 | D987 N998 M999 E1003 | D987-R1001 IonicContact OD1-CZ 3.36Å; D987-R1001 IonicContact OD1-NH1 3.85Å; D987-R1001 PolarHBondContact OD1-NH1 2.9Å; D987-R1001 IonicContact OD1-NH2 2.71Å; D987-R1001 PolarHBondContact OD1-NH2 2.79Å; D987-R1001 IonicContact OD2-CZ 2.64Å; D987-R1001 IonicContact OD2-NE 3.36Å; D987-R1001 IonicContact OD2-NH1 2.73Å; D987-R1001 IonicContact OD2-NH2 3.85Å; D987-R1001 PolarHBondContact OD2-NH2 2.68Å; N998-R1001 PolarHBondContact O-N 3.07Å; M999-R1001 PolarHBondContact O-N 3.09Å; R1001-E1003 PolarHBondContact O-N 2.74Å |
| 1002 | L | 70.6 | Confident | 70.4 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -66.3 | 127.3 | 173.7 | -85.4 | 160.6 | 0 | 0 | 0 | 110.8 | M999 G1000 M1004 A1102 A1106 L1116 | M999-L1002 HydrophobicContact CB-CD1 4.48Å; M999-L1002 HydrophobicContact CE-CD1 3.41Å; M999-L1002 VanDerWaalsContact CE-CD1 3.41Å; M999-L1002 PolarHBondContact O-N 2.92Å; M999-L1002 HydrophobicContact SD-CD1 3.79Å; G1000-L1002 VanDerWaalsContact C-N 3.34Å; L1002-M1004 PolarHBondContact O-N 3Å; L1002-A1102 HydrophobicContact CD1-CB 4.45Å; L1002-A1102 HydrophobicContact CD2-CB 4.36Å; L1002-A1106 HydrophobicContact CD2-CB 4Å; L1002-A1106 HydrophobicContact CG-CB 4.41Å; L1002-L1116 HydrophobicContact CD2-CD2 3.4Å; L1002-L1116 VanDerWaalsContact CD2-CD2 3.4Å |
| 1003 | E | 79 | Confident | 72.1 | Confident | 43 Ų | 43 | 61.1 Ų | 61.1 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 115.2 | 178.2 | -168.3 | 161.7 | -170.4 | 0 | 0 | 110.6 | R1001 I1005 W1032 I1117 G1118 I1119 | R1001-E1003 PolarHBondContact O-N 2.74Å; E1003-I1005 HydrophobicContact CG-CG1 4.25Å; E1003-I1005 PolarHBondContact O-N 3.39Å; E1003-W1032 WeakPolarHBondContact OE1-CH2 3.22Å; E1003-W1032 VanDerWaalsContact OE1-CZ2 3.29Å; E1003-W1032 WeakPolarHBondContact OE1-CZ2 3.44Å; E1003-W1032 WeakPolarHBondContact OE2-CH2 3.32Å; E1003-I1117 WeakPolarHBondContact CB-O 3.12Å; E1003-G1118 CarbonylContact O-C 3.44Å; E1003-G1118 WeakPolarHBondContact O-CA 3.4Å; E1003-I1119 PolarHBondContact O-N 2.95Å |
| 1004 | M | 83.9 | Confident | 73.5 | Confident | 117 Ų | 117 | 57.9 Ų | 57.9 | 58% | 0.576 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 104.7 | 175 | -71.2 | -60.1 | -49 | 0 | 0 | 109.5 | L1002 I1119 L1121 | L1002-M1004 PolarHBondContact O-N 3Å; M1004-I1119 HydrophobicContact CE-CG1 4.26Å; M1004-I1119 HydrophobicContact SD-CD1 3.82Å; M1004-I1119 HydrophobicContact SD-CG1 3.59Å; M1004-I1119 VanDerWaalsContact SD-CG1 3.59Å; M1004-L1121 HydrophobicContact CE-CB 4.3Å; M1004-L1121 HydrophobicContact CE-CD1 4.11Å; M1004-L1121 HydrophobicContact CE-CG 4.24Å |
| 1005 | I | 84 | Confident | 74.8 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | trans | -92.6 | 130 | -177.5 | -62.9 | 172.2 | 0 | 0 | 0 | 109.8 | E1003 L1010 W1032 I1117 I1119 C1120 V1129 | E1003-I1005 HydrophobicContact CG-CG1 4.25Å; E1003-I1005 PolarHBondContact O-N 3.39Å; I1005-L1010 HydrophobicContact CB-CD1 4.44Å; I1005-L1010 HydrophobicContact CG2-CD1 3.61Å; I1005-L1010 HydrophobicContact CG2-CD2 3.9Å; I1005-L1010 HydrophobicContact CG2-CG 3.53Å; I1005-W1032 HydrophobicContact CD1-CD2 4.26Å; I1005-W1032 HydrophobicContact CD1-CZ2 4.18Å; I1005-W1032 HydrophobicContact CG1-CZ2 4.1Å; I1005-I1117 HydrophobicContact CD1-CG2 4.03Å; I1005-I1119 PolarHBondContact N-O 3.28Å; I1005-C1120 WeakPolarHBondContact O-CA 3.35Å; I1005-C1120 WeakPolarHBondContact O-CB 3.23Å; I1005-V1129 HydrophobicContact CD1-CB 3.77Å; I1005-V1129 HydrophobicContact CD1-CG1 3.84Å; I1005-V1129 HydrophobicContact CD1-CG2 3.96Å | ||
| 1006 | N | 83.8 | Confident | 75.6 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | trans | -74.6 | 143.1 | 175.7 | -172.3 | 10.4 | 0 | 0 | 0 | 111.5 | D1008 D1009 L1010 | N1006-D1008 WeakPolarHBondContact ND2-CB 3.45Å; N1006-D1008 PolarHBondContact ND2-OD2 3.4Å; N1006-D1008 PolarHBondContact O-N 2.76Å; N1006-D1008 PolarHBondContact OD1-N 3.44Å; N1006-D1008 PolarHBondContact OD1-OD2 3.32Å; N1006-D1009 PolarHBondContact O-N 2.95Å; N1006-D1009 VanDerWaalsContact O-N 3.08Å; N1006-L1010 PolarHBondContact O-N 3.46Å | ||
| 1007 | Q | 78.9 | Confident | 76.5 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -57.2 | -35.9 | 171.4 | -178.2 | 171.8 | -22.9 | 0 | 0 | 111.6 | D1009 L1010 S1122 E1124 R1125 | Q1007-D1009 PolarHBondContact O-N 2.68Å; Q1007-L1010 PolarHBondContact O-N 3.34Å; Q1007-S1122 PolarHBondContact OE1-OG 3.01Å; Q1007-E1124 PolarHBondContact NE2-OE2 3.33Å; Q1007-R1125 VanDerWaalsContact NE2-NH1 3.18Å |
| 1008 | D | 83.6 | Confident | 77.6 | Confident | 115 Ų | 115 | 66 Ų | 66 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -68.1 | -13.5 | 177.8 | -50.8 | -47.1 | 0 | 0 | 0 | 114.4 | N1006 F1011 | N1006-D1008 WeakPolarHBondContact ND2-CB 3.45Å; N1006-D1008 PolarHBondContact ND2-OD2 3.4Å; N1006-D1008 PolarHBondContact O-N 2.76Å; N1006-D1008 PolarHBondContact OD1-N 3.44Å; N1006-D1008 PolarHBondContact OD1-OD2 3.32Å; D1008-F1011 VanDerWaalsContact O-CZ 3.3Å; D1008-F1011 WeakPolarHBondContact O-CZ 3.22Å |
| 1009 | D | 84.8 | Confident | 78.5 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -100.8 | -2.4 | 174.7 | -72.1 | -54.7 | 0 | 0 | 0 | 112.4 | N1006 Q1007 W1032 K1033 | N1006-D1009 PolarHBondContact O-N 2.95Å; N1006-D1009 VanDerWaalsContact O-N 3.08Å; Q1007-D1009 PolarHBondContact O-N 2.68Å; D1009-W1032 CarbonylContact O-C 3.5Å; D1009-W1032 WeakPolarHBondContact O-CA 3.25Å; D1009-K1033 HydrophobicContact CB-CB 4.33Å; D1009-K1033 PolarHBondContact O-N 2.84Å; D1009-K1033 IonicContact OD1-NZ 3.57Å; D1009-K1033 PolarHBondContact OD1-NZ 3.34Å |
| 1010 | L | 84.3 | Confident | 79 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 96.8 | 179 | -72.4 | 170.3 | 0 | 0 | 0 | 111.6 | I1005 N1006 Q1007 C1012 W1032 V1052 I1054 C1120 V1129 | I1005-L1010 HydrophobicContact CB-CD1 4.44Å; I1005-L1010 HydrophobicContact CG2-CD1 3.61Å; I1005-L1010 HydrophobicContact CG2-CD2 3.9Å; I1005-L1010 HydrophobicContact CG2-CG 3.53Å; N1006-L1010 PolarHBondContact O-N 3.46Å; Q1007-L1010 PolarHBondContact O-N 3.34Å; L1010-C1012 PolarHBondContact O-N 2.85Å; L1010-W1032 HydrophobicContact CD2-CB 3.98Å; L1010-W1032 HydrophobicContact CD2-CG 4.26Å; L1010-V1052 HydrophobicContact CD2-CG2 3.95Å; L1010-I1054 HydrophobicContact CB-CD1 4.19Å; L1010-I1054 HydrophobicContact CD2-CD1 3.88Å; L1010-I1054 HydrophobicContact CD2-CG1 4.4Å; L1010-I1054 HydrophobicContact CG-CD1 4.43Å; L1010-C1120 HydrophobicContact CD1-CB 3.56Å; L1010-V1129 HydrophobicContact CD1-CG2 3.97Å; L1010-V1129 HydrophobicContact CD2-CG1 4.15Å; L1010-V1129 HydrophobicContact CD2-CG2 4.22Å |
| 1011 | F | 86.9 | Confident | 79.6 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.8 | 178.7 | -60.3 | -89 | 0 | 0 | 0 | 109.6 | D1008 G1030 V1031 K1033 | D1008-F1011 VanDerWaalsContact O-CZ 3.3Å; D1008-F1011 WeakPolarHBondContact O-CZ 3.22Å; F1011-G1030 CarbonylContact O-C 3.58Å; F1011-G1030 WeakPolarHBondContact O-CA 3.3Å; F1011-V1031 HydrophobicContact CB-CB 4.42Å; F1011-V1031 PolarHBondContact N-O 3.06Å; F1011-V1031 PolarHBondContact O-N 3.09Å; F1011-K1033 HydrophobicContact CD2-CB 4.37Å; F1011-K1033 HydrophobicContact CE2-CB 3.83Å; F1011-K1033 HydrophobicContact CE2-CD 4.02Å; F1011-K1033 HydrophobicContact CZ-CD 4.44Å |
| 1012 | C | 79.5 | Confident | 79.6 | Confident | 26 Ų | 26 | 63 Ų | 63 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 131.4 | -177.4 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | L1010 F1014 Y1028 K1029 I1054 | L1010-C1012 PolarHBondContact O-N 2.85Å; C1012-F1014 HydrophobicContact CB-CD2 4.34Å; C1012-F1014 HydrophobicContact CB-CE1 4.04Å; C1012-F1014 HydrophobicContact CB-CE2 3.81Å; C1012-F1014 HydrophobicContact CB-CZ 3.64Å; C1012-F1014 WeakPolarHBondContact O-CD2 3.4Å; C1012-F1014 PolarHBondContact O-N 3.33Å; C1012-Y1028 WeakPolarHBondContact SG-CB 3.39Å; C1012-K1029 PolarHBondContact SG-O 2.84Å; C1012-I1054 HydrophobicContact CB-CD1 3.86Å |
| 1013 | D | 80.5 | Confident | 79 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | trans | -84.4 | 93.8 | 169.3 | 179.9 | 17.6 | 0 | 0 | 0 | 109.4 | N1015 S1016 | D1013-N1015 PolarHBondContact O-N 3.47Å; D1013-N1015 VanDerWaalsContact OD1-CB 3.29Å; D1013-N1015 WeakPolarHBondContact OD1-CB 3.14Å; D1013-N1015 PolarHBondContact OD1-N 3.4Å; D1013-N1015 PolarHBondContact OD1-ND2 3.23Å; D1013-S1016 VanDerWaalsContact O-CB 3.28Å; D1013-S1016 WeakPolarHBondContact O-CB 3.3Å; D1013-S1016 PolarHBondContact O-N 3.46Å; D1013-S1016 PolarHBondContact O-OG 3.26Å; D1013-S1016 PolarHBondContact OD2-N 3.1Å | ||
| 1014 | F | 78.5 | Confident | 78.3 | Confident | 47 Ų | 47 | 62.3 Ų | 62.3 | 21% | 0.206 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -5.6 | 176.7 | -61.3 | -74.5 | 0 | 0 | 0 | 113.8 | C1012 Y1028 V1056 R1125 | C1012-F1014 HydrophobicContact CB-CD2 4.34Å; C1012-F1014 HydrophobicContact CB-CE1 4.04Å; C1012-F1014 HydrophobicContact CB-CE2 3.81Å; C1012-F1014 HydrophobicContact CB-CZ 3.64Å; C1012-F1014 WeakPolarHBondContact O-CD2 3.4Å; C1012-F1014 PolarHBondContact O-N 3.33Å; F1014-Y1028 HydrophobicContact CB-CE1 4.34Å; F1014-Y1028 HydrophobicContact CD1-CD1 4.11Å; F1014-Y1028 AromaticContact CD1-CD2 3.79Å; F1014-Y1028 HydrophobicContact CD1-CD2 3.79Å; F1014-Y1028 HydrophobicContact CD1-CE1 4.26Å; F1014-Y1028 AromaticContact CD1-CE2 3.94Å; F1014-Y1028 HydrophobicContact CD1-CE2 3.94Å; F1014-Y1028 AromaticContact CD1-CG 3.86Å; F1014-Y1028 HydrophobicContact CD1-CG 3.86Å; F1014-Y1028 HydrophobicContact CE1-CD2 4.11Å; F1014-Y1028 HydrophobicContact CE1-CG 4.28Å; F1014-Y1028 WeakPolarHBondContact O-CE1 3.28Å; F1014-V1056 HydrophobicContact CD1-CG2 4.24Å; F1014-V1056 HydrophobicContact CE1-CG2 3.65Å; F1014-R1125 VanDerWaalsContact CD2-NE 3.3Å; F1014-R1125 VanDerWaalsContact CZ-CD 3.48Å |
| 1015 | N | 76.1 | Confident | 77.9 | Confident | 154 Ų | 154 | 57 Ų | 57 | 82% | 0.824 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -15.4 | 169.4 | -42.9 | -79.9 | 0 | 0 | 0 | 112 | D1013 | D1013-N1015 PolarHBondContact O-N 3.47Å; D1013-N1015 VanDerWaalsContact OD1-CB 3.29Å; D1013-N1015 WeakPolarHBondContact OD1-CB 3.14Å; D1013-N1015 PolarHBondContact OD1-N 3.4Å; D1013-N1015 PolarHBondContact OD1-ND2 3.23Å |
| 1016 | S | 74.5 | Confident | 77.8 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -66.8 | 152.4 | 169.4 | 75.8 | 0 | 0 | 0 | 0 | 110.3 | D1013 | D1013-S1016 VanDerWaalsContact O-CB 3.28Å; D1013-S1016 WeakPolarHBondContact O-CB 3.3Å; D1013-S1016 PolarHBondContact O-N 3.46Å; D1013-S1016 PolarHBondContact O-OG 3.26Å; D1013-S1016 PolarHBondContact OD2-N 3.1Å |
| 1017 | A | 81.1 | Confident | 77.9 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 74% | 0.744 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -63 | 127.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1018 | P | 81.5 | Confident | 78.4 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 25% | 0.247 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.1 | 177.9 | 23.5 | -33.2 | 0 | 0 | 0 | 111.6 | G1020 T1021 A1026 V1027 Y1028 | P1018-G1020 PolarHBondContact O-N 3.05Å; P1018-T1021 HydrophobicContact CB-CG2 4.02Å; P1018-T1021 HydrophobicContact CG-CG2 3.48Å; P1018-T1021 VanDerWaalsContact CG-CG2 3.48Å; P1018-A1026 HydrophobicContact CB-CB 4Å; P1018-A1026 HydrophobicContact CG-CB 4.4Å; P1018-V1027 CarbonylContact C-O 3.39Å; P1018-V1027 WeakPolarHBondContact CA-O 3.32Å; P1018-V1027 WeakPolarHBondContact CB-O 3.22Å; P1018-Y1028 HydrophobicContact CB-CD1 4.21Å; P1018-Y1028 HydrophobicContact CB-CE1 4.04Å; P1018-Y1028 HydrophobicContact CB-CE2 4.45Å; P1018-Y1028 HydrophobicContact CB-CG 4.5Å |
| 1019 | L | 81.7 | Confident | 78.6 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -57.7 | -36.9 | 177.3 | -60.9 | 169.9 | 0 | 0 | 0 | 111.6 | V1027 Y1028 K1029 F1132 R1140 | L1019-V1027 HydrophobicContact CB-CB 4.42Å; L1019-V1027 WeakPolarHBondContact CB-O 3.5Å; L1019-V1027 HydrophobicContact CD1-CG1 4.13Å; L1019-V1027 PolarHBondContact N-O 3.01Å; L1019-Y1028 VanDerWaalsContact CD1-C 3.46Å; L1019-K1029 HydrophobicContact CD1-CB 4.07Å; L1019-K1029 HydrophobicContact CD2-CB 4.23Å; L1019-K1029 HydrophobicContact CG-CB 4.38Å; L1019-F1132 HydrophobicContact CD1-CD2 4.01Å; L1019-F1132 HydrophobicContact CD1-CE2 3.57Å; L1019-F1132 HydrophobicContact CD2-CE2 3.92Å; L1019-F1132 HydrophobicContact CD2-CZ 4.38Å; L1019-F1132 HydrophobicContact CG-CE2 4.4Å; L1019-R1140 PolarHBondContact O-NH1 3.14Å |
| 1020 | G | 78.2 | Confident | 78.7 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 149.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1018 A1026 V1027 | P1018-G1020 PolarHBondContact O-N 3.05Å; G1020-A1026 WeakPolarHBondContact O-CA 3.46Å; G1020-V1027 PolarHBondContact O-N 3.41Å |
| 1021 | T | 75.8 | Confident | 78.9 | Confident | 99 Ų | 99 | 51.5 Ų | 51.5 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 116.6 | 174 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | P1018 G1025 A1026 | P1018-T1021 HydrophobicContact CB-CG2 4.02Å; P1018-T1021 HydrophobicContact CG-CG2 3.48Å; P1018-T1021 VanDerWaalsContact CG-CG2 3.48Å; T1021-G1025 WeakPolarHBondContact CA-O 3.41Å; T1021-A1026 HydrophobicContact CG2-CB 4Å |
| 1022 | G | 64.1 | Low | 78.9 | Confident | 45 Ų | 45 | 46.4 Ų | 46.4 | 46% | 0.464 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | -178.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1024 G1025 | G1022-F1024 PolarHBondContact O-N 3.01Å; G1022-G1025 PolarHBondContact N-O 2.95Å; G1022-G1025 PolarHBondContact O-N 3.03Å |
| 1023 | S | 58.2 | Low | 79.2 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 32% | 0.322 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -9 | 172.3 | 31.6 | 0 | 0 | 0 | 0 | 114.5 | R1216 | S1023-R1216 WeakPolarHBondContact O-CD 3.07Å; S1023-R1216 PolarHBondContact O-NH1 3.36Å |
| 1024 | F | 64.9 | Low | 79.1 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.039 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 23 | -176.5 | -47.1 | -61.9 | 0 | 0 | 0 | 112 | G1022 K1055 D1195 L1198 R1216 | G1022-F1024 PolarHBondContact O-N 3.01Å; F1024-K1055 VanDerWaalsContact O-CE 3.31Å; F1024-K1055 WeakPolarHBondContact O-CE 3.4Å; F1024-D1195 WeakPolarHBondContact CD2-OD1 3.3Å; F1024-L1198 HydrophobicContact CE1-CD2 4.05Å; F1024-L1198 HydrophobicContact CE1-CG 4.09Å; F1024-L1198 HydrophobicContact CE2-CD1 3.95Å; F1024-L1198 HydrophobicContact CE2-CG 3.82Å; F1024-L1198 HydrophobicContact CZ-CD1 3.59Å; F1024-L1198 HydrophobicContact CZ-CD2 3.72Å; F1024-L1198 HydrophobicContact CZ-CG 3.36Å; F1024-R1216 HydrophobicContact CE1-CB 4.32Å; F1024-R1216 HydrophobicContact CZ-CB 4.3Å |
| 1025 | G | 74.9 | Confident | 78.8 | Confident | 7 Ų | 7 | 44.2 Ų | 44.2 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114.9 | -171.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1021 G1022 V1056 | T1021-G1025 WeakPolarHBondContact CA-O 3.41Å; G1022-G1025 PolarHBondContact N-O 2.95Å; G1022-G1025 PolarHBondContact O-N 3.03Å; G1025-V1056 CarbonylContact C-O 3.6Å; G1025-V1056 WeakPolarHBondContact CA-O 3.39Å |
| 1026 | A | 82 | Confident | 78.6 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1018 G1020 T1021 Y1028 V1056 L1058 | P1018-A1026 HydrophobicContact CB-CB 4Å; P1018-A1026 HydrophobicContact CG-CB 4.4Å; G1020-A1026 WeakPolarHBondContact O-CA 3.46Å; T1021-A1026 HydrophobicContact CG2-CB 4Å; A1026-Y1028 HydrophobicContact CB-CD2 4.29Å; A1026-Y1028 HydrophobicContact CB-CE2 3.57Å; A1026-Y1028 WeakPolarHBondContact O-CD2 3.05Å; A1026-V1056 PolarHBondContact N-O 3.43Å; A1026-V1056 PolarHBondContact O-N 2.68Å; A1026-L1058 HydrophobicContact CB-CD1 3.93Å; A1026-L1058 HydrophobicContact CB-CD2 4.14Å; A1026-L1058 HydrophobicContact CB-CG 3.96Å |
| 1027 | V | 87 | Confident | 78.6 | Confident | 39 Ų | 39 | 48.9 Ų | 48.9 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.3 | 175.2 | -165.9 | 0 | 0 | 0 | 0 | 109 | P1018 L1019 G1020 A1053 I1054 K1055 | P1018-V1027 CarbonylContact C-O 3.39Å; P1018-V1027 WeakPolarHBondContact CA-O 3.32Å; P1018-V1027 WeakPolarHBondContact CB-O 3.22Å; L1019-V1027 HydrophobicContact CB-CB 4.42Å; L1019-V1027 WeakPolarHBondContact CB-O 3.5Å; L1019-V1027 HydrophobicContact CD1-CG1 4.13Å; L1019-V1027 PolarHBondContact N-O 3.01Å; G1020-V1027 PolarHBondContact O-N 3.41Å; V1027-A1053 HydrophobicContact CG1-CB 3.86Å; V1027-I1054 CarbonylContact C-O 3.45Å; V1027-I1054 WeakPolarHBondContact CA-O 3.11Å; V1027-K1055 HydrophobicContact CG2-CB 4.13Å; V1027-K1055 HydrophobicContact CG2-CG 4.04Å |
| 1028 | Y | 88 | Confident | 78 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 154 | 175.9 | -63.7 | -99 | 0 | 0 | 0 | 111.1 | C1012 F1014 P1018 L1019 A1026 I1054 V1056 | C1012-Y1028 WeakPolarHBondContact SG-CB 3.39Å; F1014-Y1028 HydrophobicContact CB-CE1 4.34Å; F1014-Y1028 HydrophobicContact CD1-CD1 4.11Å; F1014-Y1028 AromaticContact CD1-CD2 3.79Å; F1014-Y1028 HydrophobicContact CD1-CD2 3.79Å; F1014-Y1028 HydrophobicContact CD1-CE1 4.26Å; F1014-Y1028 AromaticContact CD1-CE2 3.94Å; F1014-Y1028 HydrophobicContact CD1-CE2 3.94Å; F1014-Y1028 AromaticContact CD1-CG 3.86Å; F1014-Y1028 HydrophobicContact CD1-CG 3.86Å; F1014-Y1028 HydrophobicContact CE1-CD2 4.11Å; F1014-Y1028 HydrophobicContact CE1-CG 4.28Å; F1014-Y1028 WeakPolarHBondContact O-CE1 3.28Å; P1018-Y1028 HydrophobicContact CB-CD1 4.21Å; P1018-Y1028 HydrophobicContact CB-CE1 4.04Å; P1018-Y1028 HydrophobicContact CB-CE2 4.45Å; P1018-Y1028 HydrophobicContact CB-CG 4.5Å; L1019-Y1028 VanDerWaalsContact CD1-C 3.46Å; A1026-Y1028 HydrophobicContact CB-CD2 4.29Å; A1026-Y1028 HydrophobicContact CB-CE2 3.57Å; A1026-Y1028 WeakPolarHBondContact O-CD2 3.05Å; Y1028-I1054 PolarHBondContact N-O 2.03Å; Y1028-I1054 PolarHBondContact O-N 2.88Å; Y1028-V1056 HydrophobicContact CD2-CB 4.44Å; Y1028-V1056 HydrophobicContact CD2-CG2 3.8Å; Y1028-V1056 HydrophobicContact CE2-CB 4.3Å; Y1028-V1056 HydrophobicContact CE2-CG2 4.02Å |
| 1029 | K | 87.7 | Confident | 77.3 | Confident | 79 Ų | 79 | 43.3 Ų | 43.3 | 34% | 0.343 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 126 | 166.8 | -174.5 | 174.5 | -176.4 | 170.9 | 0 | 108.8 | C1012 L1019 D1051 F1132 | C1012-K1029 PolarHBondContact SG-O 2.84Å; L1019-K1029 HydrophobicContact CD1-CB 4.07Å; L1019-K1029 HydrophobicContact CD2-CB 4.23Å; L1019-K1029 HydrophobicContact CG-CB 4.38Å; K1029-D1051 WeakPolarHBondContact CE-OD2 3.44Å; K1029-D1051 IonicContact NZ-OD2 3.42Å; K1029-D1051 PolarHBondContact NZ-OD2 3.27Å; K1029-F1132 HydrophobicContact CB-CD2 4.41Å; K1029-F1132 HydrophobicContact CB-CE2 4.16Å; K1029-F1132 HydrophobicContact CD-CD1 3.97Å; K1029-F1132 HydrophobicContact CD-CD2 4.3Å; K1029-F1132 HydrophobicContact CD-CE1 3.63Å; K1029-F1132 HydrophobicContact CD-CE2 4.02Å; K1029-F1132 HydrophobicContact CD-CG 4.3Å; K1029-F1132 HydrophobicContact CD-CZ 3.69Å; K1029-F1132 VanDerWaalsContact CE-CD1 3.47Å; K1029-F1132 HydrophobicContact CG-CD1 4.4Å; K1029-F1132 HydrophobicContact CG-CD2 4.01Å; K1029-F1132 HydrophobicContact CG-CE1 4.38Å; K1029-F1132 HydrophobicContact CG-CE2 4.02Å; K1029-F1132 HydrophobicContact CG-CG 4.24Å; K1029-F1132 HydrophobicContact CG-CZ 4.22Å; K1029-F1132 VanDerWaalsContact NZ-CE1 3.33Å |
| 1030 | G | 87.7 | Confident | 76.7 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 178.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1011 V1052 | F1011-G1030 CarbonylContact O-C 3.58Å; F1011-G1030 WeakPolarHBondContact O-CA 3.3Å; G1030-V1052 PolarHBondContact N-O 2.95Å; G1030-V1052 PolarHBondContact O-N 3.49Å |
| 1031 | V | 87.6 | Confident | 76.1 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.6 | 169.4 | 178.8 | 0 | 0 | 0 | 0 | 107.6 | F1011 Q1049 L1050 | F1011-V1031 HydrophobicContact CB-CB 4.42Å; F1011-V1031 PolarHBondContact N-O 3.06Å; F1011-V1031 PolarHBondContact O-N 3.09Å; V1031-Q1049 HydrophobicContact CG1-CB 3.66Å; V1031-Q1049 HydrophobicContact CG1-CG 3.9Å; V1031-L1050 CarbonylContact C-O 3.45Å; V1031-L1050 WeakPolarHBondContact CA-O 3.17Å |
| 1032 | W | 86.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 123 | 171.2 | -180 | 46.1 | 0 | 0 | 0 | 109.9 | Y980 E1003 I1005 D1009 L1010 V1034 P1035 Q1049 L1050 V1052 I1117 | Y980-W1032 HydrophobicContact CE1-CH2 4.11Å; Y980-W1032 AromaticContact CE1-CZ3 3.94Å; Y980-W1032 HydrophobicContact CE1-CZ3 3.94Å; Y980-W1032 HydrophobicContact CE2-CZ3 4.42Å; Y980-W1032 AromaticContact CZ-CH2 3.99Å; Y980-W1032 AromaticContact CZ-CZ3 3.82Å; E1003-W1032 WeakPolarHBondContact OE1-CH2 3.22Å; E1003-W1032 VanDerWaalsContact OE1-CZ2 3.29Å; E1003-W1032 WeakPolarHBondContact OE1-CZ2 3.44Å; E1003-W1032 WeakPolarHBondContact OE2-CH2 3.32Å; I1005-W1032 HydrophobicContact CD1-CD2 4.26Å; I1005-W1032 HydrophobicContact CD1-CZ2 4.18Å; I1005-W1032 HydrophobicContact CG1-CZ2 4.1Å; D1009-W1032 CarbonylContact O-C 3.5Å; D1009-W1032 WeakPolarHBondContact O-CA 3.25Å; L1010-W1032 HydrophobicContact CD2-CB 3.98Å; L1010-W1032 HydrophobicContact CD2-CG 4.26Å; W1032-V1034 HydrophobicContact CD2-CG2 4.43Å; W1032-V1034 HydrophobicContact CE3-CG2 3.94Å; W1032-V1034 HydrophobicContact CH2-CG1 4.12Å; W1032-V1034 HydrophobicContact CZ3-CG1 4.12Å; W1032-V1034 HydrophobicContact CZ3-CG2 4.14Å; W1032-V1034 PolarHBondContact O-N 3.26Å; W1032-P1035 HydrophobicContact CZ2-CG 4.09Å; W1032-Q1049 WeakPolarHBondContact O-CA 3.12Å; W1032-L1050 HydrophobicContact CE3-CD2 4.31Å; W1032-L1050 PolarHBondContact N-O 2.73Å; W1032-L1050 PolarHBondContact O-N 3.14Å; W1032-V1052 HydrophobicContact CB-CB 4.4Å; W1032-V1052 HydrophobicContact CB-CG1 3.57Å; W1032-V1052 HydrophobicContact CB-CG2 3.9Å; W1032-I1117 HydrophobicContact CE3-CG2 3.84Å; W1032-I1117 HydrophobicContact CH2-CG2 3.77Å; W1032-I1117 HydrophobicContact CZ3-CG2 3.39Å |
| 1033 | K | 85.6 | Confident | 75.2 | Confident | 88 Ų | 88 | 54.3 Ų | 54.3 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 92.6 | 174.1 | 177.4 | 163.2 | 121.9 | -83.2 | 0 | 108.3 | D1009 F1011 P1035 | D1009-K1033 HydrophobicContact CB-CB 4.33Å; D1009-K1033 PolarHBondContact O-N 2.84Å; D1009-K1033 IonicContact OD1-NZ 3.57Å; D1009-K1033 PolarHBondContact OD1-NZ 3.34Å; F1011-K1033 HydrophobicContact CD2-CB 4.37Å; F1011-K1033 HydrophobicContact CE2-CB 3.83Å; F1011-K1033 HydrophobicContact CE2-CD 4.02Å; F1011-K1033 HydrophobicContact CZ-CD 4.44Å; K1033-P1035 WeakPolarHBondContact O-CD 3.43Å |
| 1034 | V | 78.3 | Confident | 75.3 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 122.4 | -171.5 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | L976 W1032 A1038 L1039 A1048 L1050 | L976-V1034 HydrophobicContact CD1-CG2 4.47Å; L976-V1034 HydrophobicContact CD2-CG1 4.39Å; L976-V1034 HydrophobicContact CD2-CG2 4.46Å; W1032-V1034 HydrophobicContact CD2-CG2 4.43Å; W1032-V1034 HydrophobicContact CE3-CG2 3.94Å; W1032-V1034 HydrophobicContact CH2-CG1 4.12Å; W1032-V1034 HydrophobicContact CZ3-CG1 4.12Å; W1032-V1034 HydrophobicContact CZ3-CG2 4.14Å; W1032-V1034 PolarHBondContact O-N 3.26Å; V1034-A1038 HydrophobicContact CG1-CB 4.1Å; V1034-L1039 HydrophobicContact CB-CD1 4.25Å; V1034-L1039 HydrophobicContact CB-CD2 4Å; V1034-L1039 HydrophobicContact CB-CG 4.1Å; V1034-L1039 HydrophobicContact CG1-CD1 4.46Å; V1034-L1039 HydrophobicContact CG1-CD2 3.72Å; V1034-L1039 HydrophobicContact CG1-CG 3.8Å; V1034-L1039 WeakPolarHBondContact O-CD1 3.27Å; V1034-A1048 PolarHBondContact N-O 2.89Å; V1034-A1048 VanDerWaalsContact N-O 3.11Å; V1034-L1050 HydrophobicContact CG2-CB 4.04Å |
| 1035 | P | 74.1 | Confident | 75.2 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | trans | -59.5 | 144.7 | -176.8 | -27.8 | 35.7 | 0 | 0 | 0 | 113 | W1032 K1033 H1037 A1038 L1039 | W1032-P1035 HydrophobicContact CZ2-CG 4.09Å; K1033-P1035 WeakPolarHBondContact O-CD 3.43Å; P1035-H1037 WeakPolarHBondContact CB-CE1 3.39Å; P1035-H1037 PolarHBondContact O-N 3.11Å; P1035-H1037 VanDerWaalsContact O-N 3.08Å; P1035-A1038 PolarHBondContact O-N 2.77Å; P1035-L1039 PolarHBondContact O-N 3.08Å; P1035-L1039 VanDerWaalsContact O-N 3.12Å | ||
| 1036 | K | 71.9 | Confident | 74.7 | Confident | 160 Ų | 160 | 66.9 Ų | 66.9 | 70% | 0.696 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -53.2 | -34.2 | 177.6 | -77 | -173.7 | 176.7 | -179.1 | 0 | 113.1 | L1039 L1040 | K1036-L1039 PolarHBondContact O-N 3.09Å; K1036-L1040 WeakPolarHBondContact O-CB 2.96Å; K1036-L1040 WeakPolarHBondContact O-CG 3.17Å; K1036-L1040 PolarHBondContact O-N 2.84Å |
| 1037 | H | 73.7 | Confident | 74 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.5 | -36.7 | -179.9 | 66.6 | -103.8 | 0 | 0 | 0 | 112.5 | P1035 R1041 | P1035-H1037 WeakPolarHBondContact CB-CE1 3.39Å; P1035-H1037 PolarHBondContact O-N 3.11Å; P1035-H1037 VanDerWaalsContact O-N 3.08Å; H1037-R1041 PolarHBondContact O-N 2.91Å |
| 1038 | A | 67.2 | Low | 73.2 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.9 | -39.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1034 P1035 R1041 | V1034-A1038 HydrophobicContact CG1-CB 4.1Å; P1035-A1038 PolarHBondContact O-N 2.77Å; A1038-R1041 WeakPolarHBondContact O-CB 3.27Å; A1038-R1041 PolarHBondContact O-N 2.68Å |
| 1039 | L | 67 | Low | 72.8 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.7 | -64.8 | 170.5 | 0 | 0 | 0 | 112.8 | L976 V1034 P1035 K1036 R1041 Y1042 N1043 W1044 A1048 | L976-L1039 HydrophobicContact CD1-CD2 4.27Å; L976-L1039 HydrophobicContact CD2-CD2 3.98Å; V1034-L1039 HydrophobicContact CB-CD1 4.25Å; V1034-L1039 HydrophobicContact CB-CD2 4Å; V1034-L1039 HydrophobicContact CB-CG 4.1Å; V1034-L1039 HydrophobicContact CG1-CD1 4.46Å; V1034-L1039 HydrophobicContact CG1-CD2 3.72Å; V1034-L1039 HydrophobicContact CG1-CG 3.8Å; V1034-L1039 WeakPolarHBondContact O-CD1 3.27Å; P1035-L1039 PolarHBondContact O-N 3.08Å; P1035-L1039 VanDerWaalsContact O-N 3.12Å; K1036-L1039 PolarHBondContact O-N 3.09Å; L1039-R1041 PolarHBondContact O-N 2.77Å; L1039-Y1042 PolarHBondContact O-N 3.39Å; L1039-Y1042 VanDerWaalsContact O-N 3.11Å; L1039-N1043 PolarHBondContact O-N 3.41Å; L1039-W1044 CarbonylContact C-O 3.57Å; L1039-W1044 HydrophobicContact CB-CB 4.14Å; L1039-W1044 WeakPolarHBondContact CB-O 3.44Å; L1039-W1044 HydrophobicContact CD2-CE3 3.93Å; L1039-W1044 PolarHBondContact O-N 3.4Å; L1039-A1048 HydrophobicContact CD1-CB 4.32Å; L1039-A1048 HydrophobicContact CD2-CB 3.95Å |
| 1040 | L | 69.3 | Low | 72.4 | Confident | 89 Ų | 89 | 69.3 Ų | 69.3 | 47% | 0.466 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.5 | -26.2 | 174.5 | -76.1 | 167.3 | 0 | 0 | 0 | 113 | K1036 Y1042 N1043 H1045 | K1036-L1040 WeakPolarHBondContact O-CB 2.96Å; K1036-L1040 WeakPolarHBondContact O-CG 3.17Å; K1036-L1040 PolarHBondContact O-N 2.84Å; L1040-Y1042 PolarHBondContact O-N 2.89Å; L1040-N1043 PolarHBondContact O-N 2.98Å; L1040-N1043 VanDerWaalsContact O-N 3.11Å; L1040-H1045 WeakPolarHBondContact CD2-ND1 3.42Å |
| 1041 | R | 66.5 | Low | 72.3 | Confident | 180 Ų | 180 | 70.4 Ų | 70.4 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.2 | 174.9 | -154.7 | -179.8 | -166 | 177.2 | 3.7 | 113.2 | H1037 A1038 L1039 | H1037-R1041 PolarHBondContact O-N 2.91Å; A1038-R1041 WeakPolarHBondContact O-CB 3.27Å; A1038-R1041 PolarHBondContact O-N 2.68Å; L1039-R1041 PolarHBondContact O-N 2.77Å |
| 1042 | Y | 59.1 | Low | 72.4 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 21.1 | 177.7 | -58.3 | -83.8 | 0 | 0 | 0 | 112.3 | A979 L1039 L1040 W1044 | A979-Y1042 HydrophobicContact CB-CD1 4.28Å; A979-Y1042 HydrophobicContact CB-CE1 3.7Å; A979-Y1042 HydrophobicContact CB-CE2 4.3Å; L1039-Y1042 PolarHBondContact O-N 3.39Å; L1039-Y1042 VanDerWaalsContact O-N 3.11Å; L1040-Y1042 PolarHBondContact O-N 2.89Å; Y1042-W1044 VanDerWaalsContact C-N 3.27Å; Y1042-W1044 HydrophobicContact CD2-CE3 4.47Å; Y1042-W1044 HydrophobicContact CD2-CZ3 4.07Å; Y1042-W1044 HydrophobicContact CG-CE3 4.33Å; Y1042-W1044 HydrophobicContact CG-CH2 4.2Å; Y1042-W1044 AromaticContact CG-CZ3 3.89Å; Y1042-W1044 HydrophobicContact CG-CZ3 3.89Å; Y1042-W1044 PolarHBondContact O-N 3.26Å |
| 1043 | N | 62 | Low | 72.5 | Confident | 133 Ų | 133 | 68.9 Ų | 68.9 | 71% | 0.711 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29 | -176.7 | -67.4 | -36.4 | 0 | 0 | 0 | 115 | L1039 L1040 | L1039-N1043 PolarHBondContact O-N 3.41Å; L1040-N1043 PolarHBondContact O-N 2.98Å; L1040-N1043 VanDerWaalsContact O-N 3.11Å |
| 1044 | W | 60.5 | Low | 72.7 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | trans | -98.3 | 118.1 | 176.3 | -62 | -35.3 | 0 | 0 | 0 | 112.4 | I972 Q975 L976 L1039 Y1042 | I972-W1044 HydrophobicContact CG2-CD2 4.18Å; I972-W1044 HydrophobicContact CG2-CE3 4.39Å; Q975-W1044 HydrophobicContact CB-CH2 3.67Å; Q975-W1044 HydrophobicContact CB-CZ2 3.51Å; Q975-W1044 HydrophobicContact CG-CZ2 4.49Å; L976-W1044 HydrophobicContact CD2-CE3 4.14Å; L976-W1044 HydrophobicContact CD2-CH2 4.49Å; L976-W1044 HydrophobicContact CD2-CZ3 3.55Å; L976-W1044 HydrophobicContact CG-CE3 4.18Å; L976-W1044 HydrophobicContact CG-CH2 4.17Å; L976-W1044 HydrophobicContact CG-CZ3 3.56Å; L1039-W1044 CarbonylContact C-O 3.57Å; L1039-W1044 HydrophobicContact CB-CB 4.14Å; L1039-W1044 WeakPolarHBondContact CB-O 3.44Å; L1039-W1044 HydrophobicContact CD2-CE3 3.93Å; L1039-W1044 PolarHBondContact O-N 3.4Å; Y1042-W1044 VanDerWaalsContact C-N 3.27Å; Y1042-W1044 HydrophobicContact CD2-CE3 4.47Å; Y1042-W1044 HydrophobicContact CD2-CZ3 4.07Å; Y1042-W1044 HydrophobicContact CG-CE3 4.33Å; Y1042-W1044 HydrophobicContact CG-CH2 4.2Å; Y1042-W1044 AromaticContact CG-CZ3 3.89Å; Y1042-W1044 HydrophobicContact CG-CZ3 3.89Å; Y1042-W1044 PolarHBondContact O-N 3.26Å | ||
| 1045 | H | 63.2 | Low | 73.2 | Confident | 152 Ų | 152 | 65.3 Ų | 65.3 | 70% | 0.704 | 32% | 0.317 | S | S | * | . | trans | -97.7 | -8.3 | -177.6 | -55.5 | -56 | 0 | 0 | 0 | 114.6 | L1040 | L1040-H1045 WeakPolarHBondContact CD2-ND1 3.42Š| ||
| 1046 | R | 63.2 | Low | 73.7 | Confident | 137 Ų | 137 | 64.7 Ų | 64.7 | 52% | 0.517 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -98.8 | 139.8 | 173.5 | -61.1 | -173.3 | -164.4 | 143.9 | 9.1 | 109.3 | E968 | E968-R1046 IonicContact OE2-CZ 2.65Å; E968-R1046 IonicContact OE2-NH1 2.9Å; E968-R1046 PolarHBondContact OE2-NH1 2.98Å; E968-R1046 IonicContact OE2-NH2 3.59Å; E968-R1046 PolarHBondContact OE2-NH2 3.22Å |
| 1047 | G | 67.5 | Low | 73.8 | Confident | 64 Ų | 64 | 57.8 Ų | 57.8 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | trans | -62.4 | 142.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1048 | A | 71.2 | Confident | 73 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 163.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | I972 L976 V1034 L1039 | I972-A1048 HydrophobicContact CG2-CB 4.34Å; L976-A1048 HydrophobicContact CD1-CB 3.48Å; L976-A1048 VanDerWaalsContact CD1-CB 3.48Å; V1034-A1048 PolarHBondContact N-O 2.89Å; V1034-A1048 VanDerWaalsContact N-O 3.11Å; L1039-A1048 HydrophobicContact CD1-CB 4.32Å; L1039-A1048 HydrophobicContact CD2-CB 3.95Å |
| 1049 | Q | 78.3 | Confident | 72.5 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.8 | -178.9 | -78.3 | 176.6 | -15 | 0 | 0 | 109.2 | R973 V1031 W1032 | R973-Q1049 PolarHBondContact NH1-O 2.92Å; V1031-Q1049 HydrophobicContact CG1-CB 3.66Å; V1031-Q1049 HydrophobicContact CG1-CG 3.9Å; W1032-Q1049 WeakPolarHBondContact O-CA 3.12Å |
| 1050 | L | 79.7 | Confident | 71.2 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.9 | 178.7 | -176.6 | 60.8 | 0 | 0 | 0 | 108.6 | V1031 W1032 V1034 V1052 I1117 | V1031-L1050 CarbonylContact C-O 3.45Å; V1031-L1050 WeakPolarHBondContact CA-O 3.17Å; W1032-L1050 HydrophobicContact CE3-CD2 4.31Å; W1032-L1050 PolarHBondContact N-O 2.73Å; W1032-L1050 PolarHBondContact O-N 3.14Å; V1034-L1050 HydrophobicContact CG2-CB 4.04Å; L1050-V1052 HydrophobicContact CG-CG1 4.39Å; L1050-I1117 HydrophobicContact CD2-CD1 3.81Å |
| 1051 | D | 85.5 | Confident | 69.4 | Low | 26 Ų | 26 | 64.8 Ų | 64.8 | 14% | 0.139 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 130.9 | 172.2 | -69.4 | 18.8 | 0 | 0 | 0 | 108.3 | R973 K1029 F1132 | R973-D1051 IonicContact CZ-OD1 3.82Å; R973-D1051 IonicContact NH1-OD1 2.69Å; R973-D1051 PolarHBondContact NH1-OD1 2.92Å; R973-D1051 IonicContact NH2-OD1 2.75Å; R973-D1051 PolarHBondContact NH2-OD1 3.04Å; R973-D1051 IonicContact NH2-OD2 2.74Å; R973-D1051 PolarHBondContact NH2-OD2 2.84Å; K1029-D1051 WeakPolarHBondContact CE-OD2 3.44Å; K1029-D1051 IonicContact NZ-OD2 3.42Å; K1029-D1051 PolarHBondContact NZ-OD2 3.27Å; D1051-F1132 HydrophobicContact CB-CB 3.73Å; D1051-F1132 HydrophobicContact CB-CD1 4.1Å; D1051-F1132 HydrophobicContact CB-CG 4.27Å; D1051-F1132 VanDerWaalsContact O-CB 3.26Å; D1051-F1132 WeakPolarHBondContact O-CB 3.23Å; D1051-F1132 PolarHBondContact O-N 3.16Å |
| 1052 | V | 89.4 | Confident | 67.7 | Low | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.8 | -175.4 | -65.7 | 0 | 0 | 0 | 0 | 112 | L1010 G1030 W1032 L1050 I1054 I1117 V1129 S1130 | L1010-V1052 HydrophobicContact CD2-CG2 3.95Å; G1030-V1052 PolarHBondContact N-O 2.95Å; G1030-V1052 PolarHBondContact O-N 3.49Å; W1032-V1052 HydrophobicContact CB-CB 4.4Å; W1032-V1052 HydrophobicContact CB-CG1 3.57Å; W1032-V1052 HydrophobicContact CB-CG2 3.9Å; L1050-V1052 HydrophobicContact CG-CG1 4.39Å; V1052-I1054 HydrophobicContact CG2-CD1 4.12Å; V1052-I1054 HydrophobicContact CG2-CG1 3.86Å; V1052-I1117 HydrophobicContact CG1-CD1 3.64Å; V1052-V1129 HydrophobicContact CB-CG1 3.65Å; V1052-V1129 HydrophobicContact CG1-CG1 3.83Å; V1052-V1129 HydrophobicContact CG2-CG1 3.91Å; V1052-S1130 VanDerWaalsContact CA-O 3.29Å; V1052-S1130 WeakPolarHBondContact CA-O 3.29Å; V1052-S1130 VanDerWaalsContact CB-O 3.3Å; V1052-S1130 WeakPolarHBondContact CB-O 3.33Å |
| 1053 | A | 90 | Very high | 66 | Low | 7 Ų | 7 | 67.8 Ų | 67.8 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 126.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V1027 V1129 S1130 F1132 | V1027-A1053 HydrophobicContact CG1-CB 3.86Å; A1053-V1129 WeakPolarHBondContact O-CA 3.46Å; A1053-S1130 PolarHBondContact N-O 2.69Å; A1053-S1130 PolarHBondContact O-N 3.01Å; A1053-S1130 VanDerWaalsContact O-N 3.07Å; A1053-F1132 HydrophobicContact CB-CD2 4.44Å |
| 1054 | I | 89.6 | Confident | 64.3 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 98.6 | -174.8 | -55.1 | 180 | 0 | 0 | 0 | 108.1 | L1010 C1012 V1027 Y1028 V1052 V1056 C1127 L1128 | L1010-I1054 HydrophobicContact CB-CD1 4.19Å; L1010-I1054 HydrophobicContact CD2-CD1 3.88Å; L1010-I1054 HydrophobicContact CD2-CG1 4.4Å; L1010-I1054 HydrophobicContact CG-CD1 4.43Å; C1012-I1054 HydrophobicContact CB-CD1 3.86Å; V1027-I1054 CarbonylContact C-O 3.45Å; V1027-I1054 WeakPolarHBondContact CA-O 3.11Å; Y1028-I1054 PolarHBondContact N-O 2.03Å; Y1028-I1054 PolarHBondContact O-N 2.88Å; V1052-I1054 HydrophobicContact CG2-CD1 4.12Å; V1052-I1054 HydrophobicContact CG2-CG1 3.86Å; I1054-V1056 HydrophobicContact CG2-CG2 3.98Å; I1054-V1056 PolarHBondContact O-N 3.14Å; I1054-C1127 HydrophobicContact CG2-CB 3.62Å; I1054-L1128 CarbonylContact C-O 3.59Å; I1054-L1128 WeakPolarHBondContact CA-O 3.36Å |
| 1055 | K | 88.7 | Confident | 62.7 | Low | 17 Ų | 17 | 69.7 Ų | 69.7 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 94.6 | 177.4 | -173.8 | -173.8 | -162.6 | -170.2 | 0 | 109.3 | F1024 V1027 E1101 C1127 L1128 D1195 | F1024-K1055 VanDerWaalsContact O-CE 3.31Å; F1024-K1055 WeakPolarHBondContact O-CE 3.4Å; V1027-K1055 HydrophobicContact CG2-CB 4.13Å; V1027-K1055 HydrophobicContact CG2-CG 4.04Å; K1055-E1101 IonicContact NZ-OE1 3.75Å; K1055-E1101 PolarHBondContact NZ-OE1 2.79Å; K1055-E1101 IonicContact NZ-OE2 3.01Å; K1055-E1101 PolarHBondContact NZ-OE2 3.32Å; K1055-C1127 VanDerWaalsContact O-CA 3.26Å; K1055-C1127 WeakPolarHBondContact O-CA 3.36Å; K1055-L1128 HydrophobicContact CB-CB 4.21Å; K1055-L1128 HydrophobicContact CD-CD1 4.2Å; K1055-L1128 PolarHBondContact N-O 2.88Å; K1055-L1128 PolarHBondContact O-N 2.87Å; K1055-D1195 IonicContact NZ-OD1 3.43Å; K1055-D1195 PolarHBondContact NZ-OD1 2.94Å; K1055-D1195 IonicContact NZ-OD2 3.42Å; K1055-D1195 PolarHBondContact NZ-OD2 3.35Å |
| 1056 | V | 83.6 | Confident | 61.1 | Low | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.4 | 177.4 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | F1014 G1025 A1026 Y1028 I1054 L1058 R1125 H1126 | F1014-V1056 HydrophobicContact CD1-CG2 4.24Å; F1014-V1056 HydrophobicContact CE1-CG2 3.65Å; G1025-V1056 CarbonylContact C-O 3.6Å; G1025-V1056 WeakPolarHBondContact CA-O 3.39Å; A1026-V1056 PolarHBondContact N-O 3.43Å; A1026-V1056 PolarHBondContact O-N 2.68Å; Y1028-V1056 HydrophobicContact CD2-CB 4.44Å; Y1028-V1056 HydrophobicContact CD2-CG2 3.8Å; Y1028-V1056 HydrophobicContact CE2-CB 4.3Å; Y1028-V1056 HydrophobicContact CE2-CG2 4.02Å; I1054-V1056 HydrophobicContact CG2-CG2 3.98Å; I1054-V1056 PolarHBondContact O-N 3.14Å; V1056-L1058 PolarHBondContact O-N 3.43Å; V1056-R1125 HydrophobicContact CG1-CB 4.15Å; V1056-R1125 HydrophobicContact CG1-CG 4.26Å; V1056-H1126 WeakPolarHBondContact CA-O 3.44Å |
| 1057 | I | 74 | Confident | 59.3 | Low | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.077 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 119.5 | 171.6 | -58.5 | -172.8 | 0 | 0 | 0 | 109.1 | N1094 L1098 H1126 | I1057-N1094 WeakPolarHBondContact CD1-O 3.43Å; I1057-N1094 HydrophobicContact CG2-CB 3.86Å; I1057-L1098 HydrophobicContact CD1-CB 3.71Å; I1057-L1098 HydrophobicContact CD1-CD1 3.58Å; I1057-L1098 HydrophobicContact CD1-CG 4.27Å; I1057-L1098 HydrophobicContact CG1-CD1 3.76Å; I1057-H1126 PolarHBondContact N-O 3.49Å |
| 1058 | L | 58.2 | Low | 57.5 | Low | 81 Ų | 81 | 69.3 Ų | 69.3 | 42% | 0.424 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 137.7 | 179.1 | -69.1 | 176.6 | 0 | 0 | 0 | 110.9 | A1026 V1056 | A1026-L1058 HydrophobicContact CB-CD1 3.93Å; A1026-L1058 HydrophobicContact CB-CD2 4.14Å; A1026-L1058 HydrophobicContact CB-CG 3.96Å; V1056-L1058 PolarHBondContact O-N 3.43Å |
| 1059 | N | 55.4 | Low | 55.4 | Low | 88 Ų | 88 | 76.2 Ų | 76.2 | 47% | 0.471 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 117.8 | 163.4 | -66.1 | -37 | 0 | 0 | 0 | 108.1 | S1061 N1094 | N1059-S1061 PolarHBondContact O-N 2.7Å; N1059-N1094 PolarHBondContact OD1-ND2 3.28Å |
| 1060 | D | 40.6 | Very low | 53.1 | Low | 122 Ų | 122 | 76.2 Ų | 76.2 | 65% | 0.652 | 46% | 0.458 | S | S | * | . | trans | -64.5 | 111 | -176.4 | -71.5 | -53.1 | 0 | 0 | 0 | 112.1 | R1216 | D1060-R1216 IonicContact OD2-NH2 3.3Å; D1060-R1216 PolarHBondContact OD2-NH2 3.21Å | ||
| 1061 | S | 31.8 | Very low | 50.7 | Low | 91 Ų | 91 | 81.4 Ų | 81.4 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | trans | -163.1 | 141.5 | 165.3 | -75.7 | 0 | 0 | 0 | 0 | 111.3 | N1059 | N1059-S1061 PolarHBondContact O-N 2.7Š| ||
| 1062 | P | 29.5 | Very low | 48.1 | Very low | 120 Ų | 120 | 85.4 Ų | 85.4 | 78% | 0.779 | 53% | 0.525 | S | S | * | . | trans | -99.1 | 164.8 | -170.3 | 38.8 | -37.3 | 0 | 0 | 0 | 116 | ||||
| 1063 | E | 24.4 | Very low | 45.6 | Very low | 187 Ų | 187 | 90.6 Ų | 90.6 | 87% | 0.874 | 56% | 0.559 | S | S | * | * | trans | 63 | 119.1 | 160.6 | -68 | -175.5 | 164 | 0 | 0 | 121.3 | ||||
| 1064 | C | 25.9 | Very low | 43 | Very low | 118 Ų | 118 | 99 Ų | 99 | 80% | 0.797 | 59% | 0.594 | S | S | * | * | trans | 173.8 | 112.9 | 135.1 | -98.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1065 | S | 28.1 | Very low | 40.5 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | 54.2 | 112.1 | 84.9 | 70.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 1066 | V | 27.7 | Very low | 38.1 | Very low | 129 Ų | 129 | 110.2 Ų | 110.2 | 78% | 0.782 | 66% | 0.662 | S | S | * | * | 76.3 | 137.6 | 59 | 177.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1067 | T | 26.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 113.2 Ų | 113.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | 67.3 | 109.3 | 171.4 | 36.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1068 | A | 28.7 | Very low | 34.3 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | 32.3 | 119.9 | 124.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1069 | N | 27.2 | Very low | 33.5 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | 67 | 157.6 | 146.1 | -83.1 | -5.3 | 0 | 0 | 0 | 119.3 | ||||
| 1070 | P | 29.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -93.4 | 172.2 | -155.7 | 36.5 | -37.7 | 0 | 0 | 0 | 115.5 | ||||
| 1071 | S | 30 | Very low | 33.7 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 74.6 | 139.7 | 179.7 | 74.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1072 | S | 31.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | cis | -157.7 | 161.4 | -8.5 | 38.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1073 | P | 37.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | trans | -92.4 | -158.3 | -162.6 | 38.5 | -38.1 | 0 | 0 | 0 | 115.2 | ||||
| 1074 | F | 33.5 | Very low | 38.1 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | 86.5 | 139.1 | -172.5 | -68.5 | -111.6 | 0 | 0 | 0 | 114.3 | ||||
| 1075 | E | 37.3 | Very low | 40.2 | Very low | 166 Ų | 166 | 122.3 Ų | 122.3 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | cis | -170.8 | 165.6 | -18.2 | -105.3 | -152.6 | 105.2 | 0 | 0 | 107 | ||||
| 1076 | A | 40.1 | Very low | 42 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | cis | -170.7 | 168.4 | -21.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1077 | G | 35 | Very low | 43.7 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 76% | 0.763 | 70% | 0.701 | S | S | * | * | trans | 175 | 123.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1078 | N | 41.6 | Very low | 45.9 | Very low | 171 Ų | 171 | 120.9 Ų | 120.9 | 91% | 0.914 | 69% | 0.692 | S | S | * | * | trans | -81.5 | 132.7 | -168.8 | -72 | -38.8 | 0 | 0 | 0 | 115.9 | ||||
| 1079 | S | 40.6 | Very low | 48 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | trans | -159.2 | 4.8 | 157.8 | 65.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1080 | S | 48.1 | Very low | 49.9 | Very low | 72 Ų | 72 | 114.4 Ų | 114.4 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | trans | -88.9 | -10 | -150 | 52.3 | 0 | 0 | 0 | 0 | 119.5 | S1082 E1083 | S1080-S1082 PolarHBondContact O-N 2.72Å; S1080-E1083 WeakPolarHBondContact O-CB 3.2Å; S1080-E1083 WeakPolarHBondContact O-CG 3.4Å; S1080-E1083 PolarHBondContact O-N 2.85Å | ||
| 1081 | Y | 52.4 | Low | 51.8 | Low | 219 Ų | 219 | 111.4 Ų | 111.4 | 86% | 0.859 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -31.3 | -163.3 | -110.5 | -77.7 | 0 | 0 | 0 | 116.2 | E1083 | Y1081-E1083 PolarHBondContact O-N 2.62Š|
| 1082 | S | 53.8 | Low | 54.1 | Low | 100 Ų | 100 | 114 Ų | 114 | 70% | 0.699 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -8.9 | 178.7 | 50.4 | 0 | 0 | 0 | 0 | 113.9 | S1080 | S1080-S1082 PolarHBondContact O-N 2.72Š|
| 1083 | E | 59.3 | Low | 56.1 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 39% | 0.388 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -81.4 | -32.2 | -174.4 | -56.7 | -178.7 | 172.8 | 0 | 0 | 113.1 | S1080 Y1081 K1087 | S1080-E1083 WeakPolarHBondContact O-CB 3.2Å; S1080-E1083 WeakPolarHBondContact O-CG 3.4Å; S1080-E1083 PolarHBondContact O-N 2.85Å; Y1081-E1083 PolarHBondContact O-N 2.62Å; E1083-K1087 HydrophobicContact CB-CD 4.44Å; E1083-K1087 WeakPolarHBondContact O-CB 3.46Å; E1083-K1087 WeakPolarHBondContact O-CD 3.46Å; E1083-K1087 WeakPolarHBondContact O-CG 3.42Å; E1083-K1087 PolarHBondContact O-N 3.24Å; E1083-K1087 IonicContact OE2-NZ 2.6Å; E1083-K1087 PolarHBondContact OE2-NZ 3.29Å |
| 1084 | E | 65.8 | Low | 57.8 | Low | 113 Ų | 113 | 106.4 Ų | 106.4 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.8 | -45.8 | -177.5 | -94.5 | -136.3 | 151.7 | 0 | 0 | 113 | K1087 R1088 | E1084-K1087 WeakPolarHBondContact O-CB 3.29Å; E1084-K1087 PolarHBondContact O-N 2.81Å; E1084-R1088 PolarHBondContact O-N 3.11Å; E1084-R1088 IonicContact OE1-NH2 2.62Å; E1084-R1088 IonicContact OE2-CZ 3.56Å; E1084-R1088 VanDerWaalsContact OE2-CZ 3.31Å; E1084-R1088 IonicContact OE2-NH1 3.84Å; E1084-R1088 PolarHBondContact OE2-NH1 3.09Å; E1084-R1088 IonicContact OE2-NH2 2.69Å; E1084-R1088 PolarHBondContact OE2-NH2 3.39Å |
| 1085 | E | 70.6 | Confident | 59.9 | Low | 155 Ų | 155 | 100 Ų | 100 | 72% | 0.724 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.5 | -36.5 | -176.2 | -168.5 | 163 | -148.8 | 0 | 0 | 111.2 | K1087 R1088 A1089 | E1085-K1087 VanDerWaalsContact C-N 3.35Å; E1085-K1087 PolarHBondContact O-N 2.89Å; E1085-R1088 PolarHBondContact O-N 2.93Å; E1085-A1089 WeakPolarHBondContact O-CB 3.39Å; E1085-A1089 PolarHBondContact O-N 2.74Å |
| 1086 | A | 64.8 | Low | 62.1 | Low | 61 Ų | 61 | 96.9 Ų | 96.9 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1089 S1090 | A1086-A1089 PolarHBondContact O-N 3.32Å; A1086-S1090 WeakPolarHBondContact O-CB 3.29Å; A1086-S1090 PolarHBondContact O-N 3.33Å |
| 1087 | K | 63.6 | Low | 63.8 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 44% | 0.443 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.8 | -74.8 | 161.1 | -175.5 | 163.9 | 0 | 111.5 | E1083 E1084 E1085 S1090 V1091 | E1083-K1087 HydrophobicContact CB-CD 4.44Å; E1083-K1087 WeakPolarHBondContact O-CB 3.46Å; E1083-K1087 WeakPolarHBondContact O-CD 3.46Å; E1083-K1087 WeakPolarHBondContact O-CG 3.42Å; E1083-K1087 PolarHBondContact O-N 3.24Å; E1083-K1087 IonicContact OE2-NZ 2.6Å; E1083-K1087 PolarHBondContact OE2-NZ 3.29Å; E1084-K1087 WeakPolarHBondContact O-CB 3.29Å; E1084-K1087 PolarHBondContact O-N 2.81Å; E1085-K1087 VanDerWaalsContact C-N 3.35Å; E1085-K1087 PolarHBondContact O-N 2.89Å; K1087-S1090 PolarHBondContact O-N 3.42Å; K1087-V1091 WeakPolarHBondContact O-CG2 3.42Å; K1087-V1091 PolarHBondContact O-N 3.11Å |
| 1088 | R | 72.9 | Confident | 66.1 | Low | 155 Ų | 155 | 93.2 Ų | 93.2 | 59% | 0.585 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 176.6 | -70.8 | -172.6 | -173.6 | 93.3 | 11.8 | 113 | E1084 E1085 V1091 R1092 | E1084-R1088 PolarHBondContact O-N 3.11Å; E1084-R1088 IonicContact OE1-NH2 2.62Å; E1084-R1088 IonicContact OE2-CZ 3.56Å; E1084-R1088 VanDerWaalsContact OE2-CZ 3.31Å; E1084-R1088 IonicContact OE2-NH1 3.84Å; E1084-R1088 PolarHBondContact OE2-NH1 3.09Å; E1084-R1088 IonicContact OE2-NH2 2.69Å; E1084-R1088 PolarHBondContact OE2-NH2 3.39Å; E1085-R1088 PolarHBondContact O-N 2.93Å; R1088-V1091 PolarHBondContact O-N 3.35Å; R1088-R1092 PolarHBondContact O-N 3.4Å |
| 1089 | A | 72.1 | Confident | 68.2 | Low | 64 Ų | 64 | 88 Ų | 88 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1085 A1086 R1092 A1093 | E1085-A1089 WeakPolarHBondContact O-CB 3.39Å; E1085-A1089 PolarHBondContact O-N 2.74Å; A1086-A1089 PolarHBondContact O-N 3.32Å; A1089-R1092 PolarHBondContact O-N 3.46Å; A1089-A1093 PolarHBondContact O-N 2.89Å |
| 1090 | S | 68 | Low | 70.3 | Confident | 51 Ų | 51 | 85.8 Ų | 85.8 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.1 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | A1086 K1087 R1092 A1093 N1094 | A1086-S1090 WeakPolarHBondContact O-CB 3.29Å; A1086-S1090 PolarHBondContact O-N 3.33Å; K1087-S1090 PolarHBondContact O-N 3.42Å; S1090-R1092 VanDerWaalsContact C-N 3.29Å; S1090-R1092 PolarHBondContact O-N 3.4Å; S1090-A1093 PolarHBondContact O-N 2.91Å; S1090-N1094 WeakPolarHBondContact O-CB 3.28Å; S1090-N1094 PolarHBondContact O-N 3.44Å; S1090-N1094 PolarHBondContact O-OD1 3.4Å |
| 1091 | V | 70.2 | Confident | 72.1 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 29% | 0.291 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 178.2 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | K1087 R1088 N1094 I1095 | K1087-V1091 WeakPolarHBondContact O-CG2 3.42Å; K1087-V1091 PolarHBondContact O-N 3.11Å; R1088-V1091 PolarHBondContact O-N 3.35Å; V1091-N1094 PolarHBondContact O-N 3.25Å; V1091-I1095 HydrophobicContact CG1-CD1 4.05Å; V1091-I1095 WeakPolarHBondContact O-CG1 3.21Å; V1091-I1095 PolarHBondContact O-N 2.93Å |
| 1092 | R | 76.9 | Confident | 73.7 | Confident | 170 Ų | 170 | 72.1 Ų | 72.1 | 64% | 0.642 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 176.6 | -176 | 177.5 | 176.2 | 117.3 | 15.6 | 112.2 | R1088 A1089 S1090 N1094 I1095 E1096 | R1088-R1092 PolarHBondContact O-N 3.4Å; A1089-R1092 PolarHBondContact O-N 3.46Å; S1090-R1092 VanDerWaalsContact C-N 3.29Å; S1090-R1092 PolarHBondContact O-N 3.4Å; R1092-N1094 VanDerWaalsContact C-N 3.32Å; R1092-N1094 PolarHBondContact O-N 3.44Å; R1092-I1095 PolarHBondContact O-N 3.3Å; R1092-E1096 IonicContact CZ-OE1 2.98Å; R1092-E1096 IonicContact NE-OE1 2.69Å; R1092-E1096 PolarHBondContact NE-OE1 3.36Å; R1092-E1096 IonicContact NH2-OE1 2.67Å; R1092-E1096 PolarHBondContact NH2-OE1 3.48Å; R1092-E1096 PolarHBondContact O-N 2.83Å; R1092-E1096 VanDerWaalsContact O-N 3.12Å |
| 1093 | A | 74.8 | Confident | 75.2 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1089 S1090 I1095 E1096 E1097 | A1089-A1093 PolarHBondContact O-N 2.89Å; S1090-A1093 PolarHBondContact O-N 2.91Å; A1093-I1095 VanDerWaalsContact C-N 3.28Å; A1093-I1095 PolarHBondContact O-N 3.13Å; A1093-E1096 PolarHBondContact O-N 2.69Å; A1093-E1096 VanDerWaalsContact O-N 3.12Å; A1093-E1097 PolarHBondContact O-N 3.35Å |
| 1094 | N | 71.6 | Confident | 76.5 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 9% | 0.086 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -39.6 | 176.3 | -69.8 | -1.5 | 0 | 0 | 0 | 112.3 | I1057 N1059 S1090 V1091 R1092 L1098 | I1057-N1094 WeakPolarHBondContact CD1-O 3.43Å; I1057-N1094 HydrophobicContact CG2-CB 3.86Å; N1059-N1094 PolarHBondContact OD1-ND2 3.28Å; S1090-N1094 WeakPolarHBondContact O-CB 3.28Å; S1090-N1094 PolarHBondContact O-N 3.44Å; S1090-N1094 PolarHBondContact O-OD1 3.4Å; V1091-N1094 PolarHBondContact O-N 3.25Å; R1092-N1094 VanDerWaalsContact C-N 3.32Å; R1092-N1094 PolarHBondContact O-N 3.44Å; N1094-L1098 PolarHBondContact O-N 3.29Å; N1094-L1098 VanDerWaalsContact O-N 3.1Å |
| 1095 | I | 79.5 | Confident | 77.6 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.236 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.5 | -40.3 | 177.2 | -65.5 | 163.1 | 0 | 0 | 0 | 111.9 | V1091 R1092 A1093 L1098 L1099 | V1091-I1095 HydrophobicContact CG1-CD1 4.05Å; V1091-I1095 WeakPolarHBondContact O-CG1 3.21Å; V1091-I1095 PolarHBondContact O-N 2.93Å; R1092-I1095 PolarHBondContact O-N 3.3Å; A1093-I1095 VanDerWaalsContact C-N 3.28Å; A1093-I1095 PolarHBondContact O-N 3.13Å; I1095-L1098 PolarHBondContact O-N 3.31Å; I1095-L1099 HydrophobicContact CG2-CD1 3.97Å; I1095-L1099 HydrophobicContact CG2-CG 4.44Å; I1095-L1099 WeakPolarHBondContact O-CG 3.47Å; I1095-L1099 PolarHBondContact O-N 3.23Å |
| 1096 | E | 81.9 | Confident | 78.2 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 47% | 0.472 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.2 | -33.4 | 180 | -70.3 | 177.6 | -177.3 | 0 | 0 | 111.7 | R1092 A1093 Q1100 | R1092-E1096 IonicContact CZ-OE1 2.98Å; R1092-E1096 IonicContact NE-OE1 2.69Å; R1092-E1096 PolarHBondContact NE-OE1 3.36Å; R1092-E1096 IonicContact NH2-OE1 2.67Å; R1092-E1096 PolarHBondContact NH2-OE1 3.48Å; R1092-E1096 PolarHBondContact O-N 2.83Å; R1092-E1096 VanDerWaalsContact O-N 3.12Å; A1093-E1096 PolarHBondContact O-N 2.69Å; A1093-E1096 VanDerWaalsContact O-N 3.12Å; E1096-Q1100 WeakPolarHBondContact O-CB 3.28Å; E1096-Q1100 PolarHBondContact O-N 3.02Å |
| 1097 | E | 77 | Confident | 79 | Confident | 85 Ų | 85 | 51.8 Ų | 51.8 | 40% | 0.397 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.1 | -47.7 | 169.4 | -69.4 | -173.8 | 173.5 | 0 | 0 | 111.9 | A1093 L1099 Q1100 E1101 | A1093-E1097 PolarHBondContact O-N 3.35Å; E1097-L1099 VanDerWaalsContact C-N 3.34Å; E1097-L1099 PolarHBondContact O-N 3.3Å; E1097-Q1100 PolarHBondContact O-N 3.27Å; E1097-Q1100 VanDerWaalsContact O-N 3.17Å; E1097-E1101 PolarHBondContact O-N 2.62Å |
| 1098 | L | 82.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.2 | -47.6 | 177.2 | -169.6 | 95.1 | 0 | 0 | 0 | 112.5 | I1057 N1094 I1095 Q1100 E1101 A1102 L1121 H1126 L1128 | I1057-L1098 HydrophobicContact CD1-CB 3.71Å; I1057-L1098 HydrophobicContact CD1-CD1 3.58Å; I1057-L1098 HydrophobicContact CD1-CG 4.27Å; I1057-L1098 HydrophobicContact CG1-CD1 3.76Å; N1094-L1098 PolarHBondContact O-N 3.29Å; N1094-L1098 VanDerWaalsContact O-N 3.1Å; I1095-L1098 PolarHBondContact O-N 3.31Å; L1098-Q1100 VanDerWaalsContact C-N 3.31Å; L1098-Q1100 PolarHBondContact O-N 2.91Å; L1098-E1101 PolarHBondContact O-N 3.08Å; L1098-A1102 WeakPolarHBondContact O-CB 3.32Å; L1098-A1102 PolarHBondContact O-N 3.33Å; L1098-L1121 HydrophobicContact CD2-CD2 3.47Å; L1098-L1121 VanDerWaalsContact CD2-CD2 3.47Å; L1098-H1126 HydrophobicContact CD2-CB 4.29Å; L1098-L1128 HydrophobicContact CD1-CD2 3.87Å; L1098-L1128 HydrophobicContact CD1-CG 3.81Å; L1098-L1128 HydrophobicContact CD2-CD2 4.4Å; L1098-L1128 HydrophobicContact CG-CD2 3.75Å; L1098-L1128 HydrophobicContact CG-CG 4.24Å |
| 1099 | L | 85.2 | Confident | 80 | Confident | 61 Ų | 61 | 43.5 Ų | 43.5 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.1 | -29.4 | -177.3 | -69.3 | 173.2 | 0 | 0 | 0 | 112.3 | I1095 E1097 K1103 I1119 | I1095-L1099 HydrophobicContact CG2-CD1 3.97Å; I1095-L1099 HydrophobicContact CG2-CG 4.44Å; I1095-L1099 WeakPolarHBondContact O-CG 3.47Å; I1095-L1099 PolarHBondContact O-N 3.23Å; E1097-L1099 VanDerWaalsContact C-N 3.34Å; E1097-L1099 PolarHBondContact O-N 3.3Å; L1099-K1103 VanDerWaalsContact O-CB 3.32Å; L1099-K1103 WeakPolarHBondContact O-CB 3.23Å; L1099-K1103 PolarHBondContact O-N 2.92Å; L1099-I1119 HydrophobicContact CD2-CD1 3.9Å |
| 1100 | Q | 84.9 | Confident | 80.6 | Confident | 53 Ų | 53 | 42.5 Ų | 42.5 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.8 | -33.5 | 174.9 | 178.6 | 52.8 | 60.7 | 0 | 0 | 112.2 | E1096 E1097 L1098 I1104 | E1096-Q1100 WeakPolarHBondContact O-CB 3.28Å; E1096-Q1100 PolarHBondContact O-N 3.02Å; E1097-Q1100 PolarHBondContact O-N 3.27Å; E1097-Q1100 VanDerWaalsContact O-N 3.17Å; L1098-Q1100 VanDerWaalsContact C-N 3.31Å; L1098-Q1100 PolarHBondContact O-N 2.91Å; Q1100-I1104 PolarHBondContact O-N 3.06Å |
| 1101 | E | 85.9 | Confident | 81.5 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -49.2 | 169.6 | -174.7 | 170.9 | -178.2 | 0 | 0 | 111.1 | K1055 E1097 L1098 K1103 I1104 M1105 L1128 F1196 | K1055-E1101 IonicContact NZ-OE1 3.75Å; K1055-E1101 PolarHBondContact NZ-OE1 2.79Å; K1055-E1101 IonicContact NZ-OE2 3.01Å; K1055-E1101 PolarHBondContact NZ-OE2 3.32Å; E1097-E1101 PolarHBondContact O-N 2.62Å; L1098-E1101 PolarHBondContact O-N 3.08Å; E1101-K1103 VanDerWaalsContact C-N 3.25Å; E1101-K1103 PolarHBondContact O-N 3.17Å; E1101-I1104 PolarHBondContact O-N 2.97Å; E1101-M1105 HydrophobicContact CG-CG 4.41Å; E1101-M1105 HydrophobicContact CG-SD 4.19Å; E1101-M1105 PolarHBondContact O-N 3.48Å; E1101-L1128 HydrophobicContact CB-CD1 3.94Å; E1101-L1128 HydrophobicContact CG-CD1 3.48Å; E1101-L1128 VanDerWaalsContact CG-CD1 3.48Å; E1101-L1128 WeakPolarHBondContact OE2-CD1 3.37Å; E1101-F1196 HydrophobicContact CG-CB 4.08Å; E1101-F1196 PolarHBondContact OE1-N 2.95Å |
| 1102 | A | 87.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.1 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1002 L1098 I1104 A1106 L1116 I1119 L1128 | L1002-A1102 HydrophobicContact CD1-CB 4.45Å; L1002-A1102 HydrophobicContact CD2-CB 4.36Å; L1098-A1102 WeakPolarHBondContact O-CB 3.32Å; L1098-A1102 PolarHBondContact O-N 3.33Å; A1102-I1104 VanDerWaalsContact C-N 3.3Å; A1102-I1104 PolarHBondContact O-N 2.8Å; A1102-A1106 WeakPolarHBondContact O-CB 3.3Å; A1102-A1106 PolarHBondContact O-N 3.47Å; A1102-L1116 HydrophobicContact CB-CD2 4.07Å; A1102-I1119 HydrophobicContact CB-CG2 3.85Å; A1102-L1128 HydrophobicContact CB-CD2 3.81Å |
| 1103 | K | 85.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 19% | 0.187 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -38 | 174.8 | 178.6 | -179 | 177.7 | -173.4 | 0 | 113.1 | E996 P997 M999 L1099 E1101 | E996-K1103 WeakPolarHBondContact OE1-CE 3.18Å; E996-K1103 IonicContact OE1-NZ 2.94Å; E996-K1103 PolarHBondContact OE1-NZ 2.76Å; P997-K1103 VanDerWaalsContact CG-O 3.27Å; P997-K1103 WeakPolarHBondContact CG-O 3.22Å; M999-K1103 HydrophobicContact CE-CB 3.71Å; M999-K1103 HydrophobicContact CE-CG 4.35Å; M999-K1103 VanDerWaalsContact SD-CA 3.56Å; M999-K1103 HydrophobicContact SD-CB 3.57Å; M999-K1103 VanDerWaalsContact SD-CB 3.57Å; M999-K1103 HydrophobicContact SD-CG 3.69Å; L1099-K1103 VanDerWaalsContact O-CB 3.32Å; L1099-K1103 WeakPolarHBondContact O-CB 3.23Å; L1099-K1103 PolarHBondContact O-N 2.92Å; E1101-K1103 VanDerWaalsContact C-N 3.25Å; E1101-K1103 PolarHBondContact O-N 3.17Å |
| 1104 | I | 86.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -79.2 | -48.1 | -179.5 | -67.3 | 178 | 0 | 0 | 0 | 109.8 | Q1100 E1101 A1102 A1106 S1107 V1108 I1173 F1196 A1199 | Q1100-I1104 PolarHBondContact O-N 3.06Å; E1101-I1104 PolarHBondContact O-N 2.97Å; A1102-I1104 VanDerWaalsContact C-N 3.3Å; A1102-I1104 PolarHBondContact O-N 2.8Å; I1104-A1106 VanDerWaalsContact C-N 3.26Å; I1104-A1106 PolarHBondContact O-N 3.22Å; I1104-S1107 WeakPolarHBondContact O-CB 3.35Å; I1104-S1107 PolarHBondContact O-N 3.25Å; I1104-S1107 PolarHBondContact O-OG 2.95Å; I1104-V1108 HydrophobicContact CG2-CG2 4.47Å; I1104-V1108 WeakPolarHBondContact O-CG2 3.34Å; I1104-V1108 PolarHBondContact O-N 2.73Å; I1104-I1173 HydrophobicContact CG2-CD1 4.41Å; I1104-I1173 HydrophobicContact CG2-CG2 3.73Å; I1104-F1196 HydrophobicContact CB-CB 4.25Å; I1104-F1196 HydrophobicContact CG2-CB 3.97Å; I1104-F1196 HydrophobicContact CG2-CD1 3.53Å; I1104-F1196 HydrophobicContact CG2-CE1 4.31Å; I1104-F1196 HydrophobicContact CG2-CG 4Å; I1104-A1199 HydrophobicContact CD1-CB 3.55Å; I1104-A1199 WeakPolarHBondContact CD1-O 3.36Å; I1104-A1199 HydrophobicContact CG2-CB 4.06Å |
| 1105 | M | 87.4 | Confident | 84.5 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.039 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 177.8 | -60.7 | -177.2 | 72.8 | 0 | 0 | 112.4 | E1101 S1107 V1108 L1114 L1116 L1128 F1196 | E1101-M1105 HydrophobicContact CG-CG 4.41Å; E1101-M1105 HydrophobicContact CG-SD 4.19Å; E1101-M1105 PolarHBondContact O-N 3.48Å; M1105-S1107 PolarHBondContact O-N 3.5Å; M1105-V1108 PolarHBondContact O-N 3Å; M1105-V1108 VanDerWaalsContact O-N 3.13Å; M1105-L1114 HydrophobicContact CE-CD2 4.24Å; M1105-L1114 HydrophobicContact CE-CG 4.39Å; M1105-L1116 HydrophobicContact CB-CB 3.72Å; M1105-L1116 HydrophobicContact CB-CD2 4.31Å; M1105-L1116 HydrophobicContact CB-CG 4.48Å; M1105-L1116 HydrophobicContact CE-CB 4.21Å; M1105-L1116 HydrophobicContact CE-CD1 4.28Å; M1105-L1116 HydrophobicContact SD-CB 4.49Å; M1105-L1116 HydrophobicContact SD-CD1 4.05Å; M1105-L1128 HydrophobicContact SD-CD1 4.05Å; M1105-F1196 HydrophobicContact CG-CB 4.09Å; M1105-F1196 HydrophobicContact CG-CD2 3.54Å; M1105-F1196 HydrophobicContact CG-CE2 4.28Å; M1105-F1196 HydrophobicContact CG-CG 4.06Å; M1105-F1196 HydrophobicContact SD-CD2 4.4Å |
| 1106 | A | 82.9 | Confident | 84.8 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P997 L1002 A1102 I1104 | P997-A1106 HydrophobicContact CG-CB 4.41Å; L1002-A1106 HydrophobicContact CD2-CB 4Å; L1002-A1106 HydrophobicContact CG-CB 4.41Å; A1102-A1106 WeakPolarHBondContact O-CB 3.3Å; A1102-A1106 PolarHBondContact O-N 3.47Å; I1104-A1106 VanDerWaalsContact C-N 3.26Å; I1104-A1106 PolarHBondContact O-N 3.22Å |
| 1107 | S | 82 | Confident | 85 | Confident | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -11.1 | 172.3 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | I1104 M1105 R1171 I1173 M1201 | I1104-S1107 WeakPolarHBondContact O-CB 3.35Å; I1104-S1107 PolarHBondContact O-N 3.25Å; I1104-S1107 PolarHBondContact O-OG 2.95Å; M1105-S1107 PolarHBondContact O-N 3.5Å; S1107-R1171 PolarHBondContact O-NH2 3.21Å; S1107-I1173 WeakPolarHBondContact OG-CD1 3.42Å; S1107-M1201 WeakPolarHBondContact OG-CE 3.34Å |
| 1108 | V | 79.7 | Confident | 85.4 | Confident | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | trans | -101.5 | 111.4 | -169.2 | 173.2 | 0 | 0 | 0 | 0 | 110 | I1104 M1105 C1113 Y1167 L1168 I1173 F1196 | I1104-V1108 HydrophobicContact CG2-CG2 4.47Å; I1104-V1108 WeakPolarHBondContact O-CG2 3.34Å; I1104-V1108 PolarHBondContact O-N 2.73Å; M1105-V1108 PolarHBondContact O-N 3Å; M1105-V1108 VanDerWaalsContact O-N 3.13Å; V1108-C1113 HydrophobicContact CG1-CB 3.24Å; V1108-Y1167 HydrophobicContact CG1-CE1 4.14Å; V1108-L1168 HydrophobicContact CG1-CD2 4.16Å; V1108-L1168 HydrophobicContact CG2-CD2 3.56Å; V1108-I1173 HydrophobicContact CG2-CD1 3.68Å; V1108-F1196 HydrophobicContact CG1-CZ 4.24Å; V1108-F1196 HydrophobicContact CG2-CE1 4.21Å; V1108-F1196 HydrophobicContact CG2-CZ 4.42Å | ||
| 1109 | M | 79.1 | Confident | 85.7 | Confident | 76 Ų | 76 | 25.2 Ų | 25.2 | 37% | 0.374 | 12% | 0.122 | S | C | . | . | trans | -123.5 | 91.9 | 172.8 | -84.4 | -173.6 | 64.2 | 0 | 0 | 108.9 | L983 E985 P986 Y1167 | L983-M1109 WeakPolarHBondContact O-CE 3.32Å; E985-M1109 VanDerWaalsContact CA-SD 3.55Å; P986-M1109 WeakPolarHBondContact CD-SD 3.2Å; P986-M1109 HydrophobicContact CG-SD 4.47Å; M1109-Y1167 PolarHBondContact N-OH 2.89Å; M1109-Y1167 WeakPolarHBondContact O-CE2 3.45Å; M1109-Y1167 PolarHBondContact O-OH 2.74Å | ||
| 1110 | H | 83.5 | Confident | 85.8 | Confident | 43 Ų | 43 | 22.5 Ų | 22.5 | 20% | 0.199 | 11% | 0.108 | C | C | . | . | trans | -148.6 | 144.7 | 175.5 | -166.4 | -111.1 | 0 | 0 | 0 | 110.3 | H1112 C1113 D1163 G1164 Y1167 | H1110-H1112 PolarHBondContact ND1-N 2.95Å; H1110-H1112 PolarHBondContact O-N 2.97Å; H1110-C1113 HydrophobicContact CB-CB 4.17Å; H1110-C1113 PolarHBondContact O-N 2.79Å; H1110-C1113 VanDerWaalsContact O-O 3.05Å; H1110-D1163 IonicContact CE1-OD1 3.04Å; H1110-D1163 IonicContact CE1-OD2 2.76Å; H1110-D1163 PolarHBondContact CE1-OD2 2.61Å; H1110-D1163 IonicContact NE2-OD1 2.67Å; H1110-D1163 IonicContact NE2-OD2 3.32Å; H1110-G1164 WeakPolarHBondContact ND1-CA 3.37Å; H1110-Y1167 HydrophobicContact CB-CD1 3.71Å; H1110-Y1167 HydrophobicContact CB-CD2 3.9Å; H1110-Y1167 HydrophobicContact CB-CE1 4.03Å; H1110-Y1167 HydrophobicContact CB-CE2 4.18Å; H1110-Y1167 HydrophobicContact CB-CG 3.65Å; H1110-Y1167 AromaticContact CD2-CD2 3.6Å; H1110-Y1167 AromaticContact CD2-CG 3.82Å; H1110-Y1167 AromaticContact CG-CD2 3.9Å; H1110-Y1167 AromaticContact CG-CG 3.7Å | ||
| 1111 | R | 87.2 | Confident | 85.8 | Confident | 149 Ų | 149 | 23.4 Ų | 23.4 | 56% | 0.562 | 11% | 0.114 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -39 | -178.3 | 55.4 | 173.4 | -94.6 | 173.6 | -11.7 | 111.6 | H1190 Q1192 | R1111-H1190 WeakPolarHBondContact CB-CE1 3.46Å; R1111-H1190 VanDerWaalsContact CG-CE1 3.46Å; R1111-H1190 WeakPolarHBondContact CG-CE1 3.34Å; R1111-H1190 PolarHBondContact NE-CE1 2.87Å; R1111-H1190 PolarHBondContact O-CE1 2.86Å; R1111-H1190 PolarHBondContact O-NE2 3.42Å; R1111-Q1192 PolarHBondContact O-NE2 3Å |
| 1112 | H | 92.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 24.3 | 178.8 | -62.7 | -53.5 | 0 | 0 | 0 | 115.6 | H1110 Q1160 D1163 H1190 V1191 Q1192 I1193 | H1110-H1112 PolarHBondContact ND1-N 2.95Å; H1110-H1112 PolarHBondContact O-N 2.97Å; H1112-Q1160 HydrophobicContact CB-CB 4.48Å; H1112-Q1160 WeakPolarHBondContact CB-O 3.28Å; H1112-Q1160 VanDerWaalsContact CE1-CD 3.41Å; H1112-Q1160 WeakPolarHBondContact CE1-CG 3.31Å; H1112-Q1160 PolarHBondContact CE1-OE1 2.75Å; H1112-Q1160 PolarHBondContact ND1-OE1 3.47Å; H1112-Q1160 WeakPolarHBondContact NE2-CG 3.21Å; H1112-D1163 IonicContact CD2-OD2 3.38Å; H1112-H1190 AromaticContact CE1-CE1 3.05Å; H1112-H1190 PolarHBondContact CE1-CE1 3.47Å; H1112-H1190 AromaticContact CE1-ND1 3.28Å; H1112-H1190 PolarHBondContact CE1-ND1 3.25Å; H1112-H1190 VanDerWaalsContact CE1-ND1 3.28Å; H1112-H1190 AromaticContact CG-CE1 3.98Å; H1112-H1190 AromaticContact ND1-CE1 3.32Å; H1112-H1190 PolarHBondContact ND1-CE1 2.75Å; H1112-H1190 VanDerWaalsContact ND1-CE1 3.32Å; H1112-H1190 AromaticContact ND1-ND1 3.78Å; H1112-H1190 AromaticContact NE2-CE1 3.57Å; H1112-V1191 WeakPolarHBondContact CA-O 3.07Å; H1112-V1191 PolarHBondContact ND1-O 2.98Å; H1112-Q1192 WeakPolarHBondContact O-CA 3.38Å; H1112-I1193 WeakPolarHBondContact O-CG1 3.37Å; H1112-I1193 PolarHBondContact O-N 3.47Å |
| 1113 | C | 91 | Very high | 84.7 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -132.3 | 142.9 | 169.4 | -58.3 | 0 | 0 | 0 | 0 | 110 | V1108 H1110 P1115 F1196 | V1108-C1113 HydrophobicContact CG1-CB 3.24Å; H1110-C1113 HydrophobicContact CB-CB 4.17Å; H1110-C1113 PolarHBondContact O-N 2.79Å; H1110-C1113 VanDerWaalsContact O-O 3.05Å; C1113-P1115 VanDerWaalsContact O-CD 3.29Å; C1113-P1115 WeakPolarHBondContact O-CD 3.38Å; C1113-F1196 HydrophobicContact CB-CZ 4.41Å |
| 1114 | L | 88.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 117.9 | -173 | -174.5 | 69.8 | 0 | 0 | 0 | 111.7 | M1105 I1131 V1133 L1184 Q1192 I1193 T1194 | M1105-L1114 HydrophobicContact CE-CD2 4.24Å; M1105-L1114 HydrophobicContact CE-CG 4.39Å; L1114-I1131 HydrophobicContact CD1-CD1 4.07Å; L1114-I1131 HydrophobicContact CD1-CG1 3.67Å; L1114-V1133 HydrophobicContact CD1-CG2 3.41Å; L1114-V1133 VanDerWaalsContact CD1-CG2 3.41Å; L1114-L1184 HydrophobicContact CD1-CD1 4.4Å; L1114-L1184 HydrophobicContact CD2-CD1 3.67Å; L1114-Q1192 HydrophobicContact CB-CB 4.32Å; L1114-I1193 WeakPolarHBondContact CB-O 3.01Å; L1114-I1193 PolarHBondContact N-O 3.19Å; L1114-T1194 WeakPolarHBondContact CD2-OG1 3.37Å |
| 1115 | P | 83.7 | Confident | 83.1 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -70.7 | 138.9 | 174.5 | 29.3 | -35.6 | 0 | 0 | 0 | 111.6 | C1113 S1130 I1131 | C1113-P1115 VanDerWaalsContact O-CD 3.29Å; C1113-P1115 WeakPolarHBondContact O-CD 3.38Å; P1115-S1130 WeakPolarHBondContact O-CB 3.43Å; P1115-I1131 HydrophobicContact CG-CD1 4.05Å; P1115-I1131 HydrophobicContact CG-CG1 4.45Å |
| 1116 | L | 86.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 134.5 | 165.2 | -172.9 | 70.7 | 0 | 0 | 0 | 109.1 | L1002 A1102 M1105 G1118 I1119 L1128 V1129 | L1002-L1116 HydrophobicContact CD2-CD2 3.4Å; L1002-L1116 VanDerWaalsContact CD2-CD2 3.4Å; A1102-L1116 HydrophobicContact CB-CD2 4.07Å; M1105-L1116 HydrophobicContact CB-CB 3.72Å; M1105-L1116 HydrophobicContact CB-CD2 4.31Å; M1105-L1116 HydrophobicContact CB-CG 4.48Å; M1105-L1116 HydrophobicContact CE-CB 4.21Å; M1105-L1116 HydrophobicContact CE-CD1 4.28Å; M1105-L1116 HydrophobicContact SD-CB 4.49Å; M1105-L1116 HydrophobicContact SD-CD1 4.05Å; L1116-G1118 WeakPolarHBondContact CD1-O 3.2Å; L1116-I1119 HydrophobicContact CD2-CG2 4.3Å; L1116-L1128 HydrophobicContact CD1-CB 4.05Å; L1116-L1128 HydrophobicContact CD1-CD2 4.45Å; L1116-V1129 WeakPolarHBondContact CD1-O 3Å |
| 1117 | I | 85.4 | Confident | 83.1 | Confident | 10 Ų | 10 | 37.5 Ų | 37.5 | 5% | 0.051 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -55.4 | 166.4 | -59.6 | 173 | 0 | 0 | 0 | 108 | Y980 E1003 I1005 W1032 L1050 V1052 V1129 S1130 I1131 | Y980-I1117 HydrophobicContact CD1-CG1 4.31Å; Y980-I1117 HydrophobicContact CD1-CG2 4.01Å; Y980-I1117 HydrophobicContact CE1-CG2 3.97Å; E1003-I1117 WeakPolarHBondContact CB-O 3.12Å; I1005-I1117 HydrophobicContact CD1-CG2 4.03Å; W1032-I1117 HydrophobicContact CE3-CG2 3.84Å; W1032-I1117 HydrophobicContact CH2-CG2 3.77Å; W1032-I1117 HydrophobicContact CZ3-CG2 3.39Å; L1050-I1117 HydrophobicContact CD2-CD1 3.81Å; V1052-I1117 HydrophobicContact CG1-CD1 3.64Å; I1117-V1129 WeakPolarHBondContact CA-O 3.43Å; I1117-V1129 WeakPolarHBondContact CB-O 3.02Å; I1117-V1129 PolarHBondContact N-O 2.92Å; I1117-S1130 VanDerWaalsContact CD1-C 3.48Å; I1117-I1131 HydrophobicContact CD1-CG2 3.97Å; I1117-I1131 HydrophobicContact CG1-CG2 4.21Å |
| 1118 | G | 86.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.6 | -169.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1003 L1116 V1129 | E1003-G1118 CarbonylContact O-C 3.44Å; E1003-G1118 WeakPolarHBondContact O-CA 3.4Å; L1116-G1118 WeakPolarHBondContact CD1-O 3.2Å; G1118-V1129 PolarHBondContact N-O 3.05Å; G1118-V1129 VanDerWaalsContact N-O 3.09Å; G1118-V1129 WeakPolarHBondContact O-CB 3.38Å; G1118-V1129 PolarHBondContact O-N 2.99Å |
| 1119 | I | 89.1 | Confident | 83.9 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 144.4 | 178.4 | 65.3 | 178.7 | 0 | 0 | 0 | 110.9 | E1003 M1004 I1005 L1099 A1102 L1116 L1121 C1127 L1128 | E1003-I1119 PolarHBondContact O-N 2.95Å; M1004-I1119 HydrophobicContact CE-CG1 4.26Å; M1004-I1119 HydrophobicContact SD-CD1 3.82Å; M1004-I1119 HydrophobicContact SD-CG1 3.59Å; M1004-I1119 VanDerWaalsContact SD-CG1 3.59Å; I1005-I1119 PolarHBondContact N-O 3.28Å; L1099-I1119 HydrophobicContact CD2-CD1 3.9Å; A1102-I1119 HydrophobicContact CB-CG2 3.85Å; L1116-I1119 HydrophobicContact CD2-CG2 4.3Å; I1119-L1121 HydrophobicContact CD1-CD1 4.17Å; I1119-L1121 HydrophobicContact CD1-CG 4.46Å; I1119-C1127 WeakPolarHBondContact CA-O 3.42Å; I1119-L1128 HydrophobicContact CG2-CD2 3.57Å |
| 1120 | C | 86.8 | Confident | 84.3 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.9 | 170.9 | 173.4 | 0 | 0 | 0 | 0 | 108.9 | I1005 L1010 C1127 | I1005-C1120 WeakPolarHBondContact O-CA 3.35Å; I1005-C1120 WeakPolarHBondContact O-CB 3.23Å; L1010-C1120 HydrophobicContact CD1-CB 3.56Å; C1120-C1127 HydrophobicContact CB-CB 4.12Å; C1120-C1127 PolarHBondContact N-O 2.78Å; C1120-C1127 PolarHBondContact O-N 3.45Å |
| 1121 | L | 85 | Confident | 84.4 | Confident | 71 Ų | 71 | 32.2 Ų | 32.2 | 37% | 0.372 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 100.4 | 179.7 | -63.7 | 176.7 | 0 | 0 | 0 | 108.2 | M1004 L1098 I1119 H1126 | M1004-L1121 HydrophobicContact CE-CB 4.3Å; M1004-L1121 HydrophobicContact CE-CD1 4.11Å; M1004-L1121 HydrophobicContact CE-CG 4.24Å; L1098-L1121 HydrophobicContact CD2-CD2 3.47Å; L1098-L1121 VanDerWaalsContact CD2-CD2 3.47Å; I1119-L1121 HydrophobicContact CD1-CD1 4.17Å; I1119-L1121 HydrophobicContact CD1-CG 4.46Å; L1121-H1126 HydrophobicContact CD2-CB 4.44Å |
| 1122 | S | 78.1 | Confident | 84.4 | Confident | 24 Ų | 24 | 26 Ų | 26 | 17% | 0.168 | 14% | 0.142 | C | C | . | . | trans | -119.8 | 173.3 | 175.4 | 89.4 | 0 | 0 | 0 | 0 | 112 | Q1007 E1124 R1125 H1126 | Q1007-S1122 PolarHBondContact OE1-OG 3.01Å; S1122-E1124 PolarHBondContact O-N 3.28Å; S1122-E1124 PolarHBondContact OG-N 3.02Å; S1122-E1124 VanDerWaalsContact OG-N 3.13Å; S1122-R1125 PolarHBondContact N-O 2.83Å; S1122-R1125 PolarHBondContact OG-N 3.02Å; S1122-R1125 PolarHBondContact OG-O 3.29Å; S1122-H1126 PolarHBondContact O-CE1 3.28Å | ||
| 1123 | S | 70.6 | Confident | 84.1 | Confident | 129 Ų | 129 | 26.2 Ų | 26.2 | 90% | 0.902 | 14% | 0.143 | S | C | * | . | S | Bend | trans | -70.2 | -14.2 | 174.1 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1124 | E | 66.6 | Low | 83.7 | Confident | 124 Ų | 124 | 31 Ų | 31 | 58% | 0.579 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -105 | -36.8 | -179.8 | -61 | -175.1 | 157.8 | 0 | 0 | 112.6 | Q1007 S1122 | Q1007-E1124 PolarHBondContact NE2-OE2 3.33Å; S1122-E1124 PolarHBondContact O-N 3.28Å; S1122-E1124 PolarHBondContact OG-N 3.02Å; S1122-E1124 VanDerWaalsContact OG-N 3.13Å |
| 1125 | R | 72.2 | Confident | 83.5 | Confident | 68 Ų | 68 | 33.7 Ų | 33.7 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | trans | -144.8 | 136.2 | -169.8 | -61.7 | -179.8 | -168.2 | 71.7 | 6.8 | 111.1 | Q1007 F1014 V1056 S1122 | Q1007-R1125 VanDerWaalsContact NE2-NH1 3.18Å; F1014-R1125 VanDerWaalsContact CD2-NE 3.3Å; F1014-R1125 VanDerWaalsContact CZ-CD 3.48Å; V1056-R1125 HydrophobicContact CG1-CB 4.15Å; V1056-R1125 HydrophobicContact CG1-CG 4.26Å; S1122-R1125 PolarHBondContact N-O 2.83Å; S1122-R1125 PolarHBondContact OG-N 3.02Å; S1122-R1125 PolarHBondContact OG-O 3.29Å | ||
| 1126 | H | 84 | Confident | 83.8 | Confident | 33 Ų | 33 | 34 Ų | 34 | 15% | 0.153 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.9 | 172.6 | -63.1 | -80.6 | 0 | 0 | 0 | 108.4 | V1056 I1057 L1098 L1121 S1122 | V1056-H1126 WeakPolarHBondContact CA-O 3.44Å; I1057-H1126 PolarHBondContact N-O 3.49Å; L1098-H1126 HydrophobicContact CD2-CB 4.29Å; L1121-H1126 HydrophobicContact CD2-CB 4.44Å; S1122-H1126 PolarHBondContact O-CE1 3.28Å |
| 1127 | C | 86.5 | Confident | 84 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.5 | -165.9 | -46.1 | 0 | 0 | 0 | 0 | 113 | I1054 K1055 I1119 C1120 | I1054-C1127 HydrophobicContact CG2-CB 3.62Å; K1055-C1127 VanDerWaalsContact O-CA 3.26Å; K1055-C1127 WeakPolarHBondContact O-CA 3.36Å; I1119-C1127 WeakPolarHBondContact CA-O 3.42Å; C1120-C1127 HydrophobicContact CB-CB 4.12Å; C1120-C1127 PolarHBondContact N-O 2.78Å; C1120-C1127 PolarHBondContact O-N 3.45Å |
| 1128 | L | 88.9 | Confident | 84.4 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 145.8 | 153.2 | -54.2 | -177.7 | 0 | 0 | 0 | 109.4 | I1054 K1055 L1098 E1101 A1102 M1105 L1116 I1119 | I1054-L1128 CarbonylContact C-O 3.59Å; I1054-L1128 WeakPolarHBondContact CA-O 3.36Å; K1055-L1128 HydrophobicContact CB-CB 4.21Å; K1055-L1128 HydrophobicContact CD-CD1 4.2Å; K1055-L1128 PolarHBondContact N-O 2.88Å; K1055-L1128 PolarHBondContact O-N 2.87Å; L1098-L1128 HydrophobicContact CD1-CD2 3.87Å; L1098-L1128 HydrophobicContact CD1-CG 3.81Å; L1098-L1128 HydrophobicContact CD2-CD2 4.4Å; L1098-L1128 HydrophobicContact CG-CD2 3.75Å; L1098-L1128 HydrophobicContact CG-CG 4.24Å; E1101-L1128 HydrophobicContact CB-CD1 3.94Å; E1101-L1128 HydrophobicContact CG-CD1 3.48Å; E1101-L1128 VanDerWaalsContact CG-CD1 3.48Å; E1101-L1128 WeakPolarHBondContact OE2-CD1 3.37Å; A1102-L1128 HydrophobicContact CB-CD2 3.81Å; M1105-L1128 HydrophobicContact SD-CD1 4.05Å; L1116-L1128 HydrophobicContact CD1-CB 4.05Å; L1116-L1128 HydrophobicContact CD1-CD2 4.45Å; I1119-L1128 HydrophobicContact CG2-CD2 3.57Å |
| 1129 | V | 89.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.2 | 178.3 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | I1005 L1010 V1052 A1053 L1116 I1117 G1118 | I1005-V1129 HydrophobicContact CD1-CB 3.77Å; I1005-V1129 HydrophobicContact CD1-CG1 3.84Å; I1005-V1129 HydrophobicContact CD1-CG2 3.96Å; L1010-V1129 HydrophobicContact CD1-CG2 3.97Å; L1010-V1129 HydrophobicContact CD2-CG1 4.15Å; L1010-V1129 HydrophobicContact CD2-CG2 4.22Å; V1052-V1129 HydrophobicContact CB-CG1 3.65Å; V1052-V1129 HydrophobicContact CG1-CG1 3.83Å; V1052-V1129 HydrophobicContact CG2-CG1 3.91Å; A1053-V1129 WeakPolarHBondContact O-CA 3.46Å; L1116-V1129 WeakPolarHBondContact CD1-O 3Å; I1117-V1129 WeakPolarHBondContact CA-O 3.43Å; I1117-V1129 WeakPolarHBondContact CB-O 3.02Å; I1117-V1129 PolarHBondContact N-O 2.92Å; G1118-V1129 PolarHBondContact N-O 3.05Å; G1118-V1129 VanDerWaalsContact N-O 3.09Å; G1118-V1129 WeakPolarHBondContact O-CB 3.38Å; G1118-V1129 PolarHBondContact O-N 2.99Å |
| 1130 | S | 88.3 | Confident | 84.8 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 172.4 | 171.4 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | V1052 A1053 P1115 I1117 F1132 | V1052-S1130 VanDerWaalsContact CA-O 3.29Å; V1052-S1130 WeakPolarHBondContact CA-O 3.29Å; V1052-S1130 VanDerWaalsContact CB-O 3.3Å; V1052-S1130 WeakPolarHBondContact CB-O 3.33Å; A1053-S1130 PolarHBondContact N-O 2.69Å; A1053-S1130 PolarHBondContact O-N 3.01Å; A1053-S1130 VanDerWaalsContact O-N 3.07Å; P1115-S1130 WeakPolarHBondContact O-CB 3.43Å; I1117-S1130 VanDerWaalsContact CD1-C 3.48Å; S1130-F1132 PolarHBondContact O-N 2.97Å |
| 1131 | I | 86.4 | Confident | 85.1 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 141.3 | 164.7 | 56.8 | 177.4 | 0 | 0 | 0 | 110 | T981 L1114 P1115 I1117 V1133 | T981-I1131 HydrophobicContact CG2-CD1 3.75Å; L1114-I1131 HydrophobicContact CD1-CD1 4.07Å; L1114-I1131 HydrophobicContact CD1-CG1 3.67Å; P1115-I1131 HydrophobicContact CG-CD1 4.05Å; P1115-I1131 HydrophobicContact CG-CG1 4.45Å; I1117-I1131 HydrophobicContact CD1-CG2 3.97Å; I1117-I1131 HydrophobicContact CG1-CG2 4.21Å; I1131-V1133 HydrophobicContact CG1-CG2 4.21Å; I1131-V1133 PolarHBondContact O-N 3.12Å |
| 1132 | F | 87.5 | Confident | 85.4 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 9% | 0.088 | 20% | 0.199 | C | C | . | . | trans | -72 | 121.6 | 169.4 | -179 | -118.6 | 0 | 0 | 0 | 108.7 | R977 L1019 K1029 D1051 A1053 S1130 E1134 | R977-F1132 PolarHBondContact NH2-O 2.74Å; L1019-F1132 HydrophobicContact CD1-CD2 4.01Å; L1019-F1132 HydrophobicContact CD1-CE2 3.57Å; L1019-F1132 HydrophobicContact CD2-CE2 3.92Å; L1019-F1132 HydrophobicContact CD2-CZ 4.38Å; L1019-F1132 HydrophobicContact CG-CE2 4.4Å; K1029-F1132 HydrophobicContact CB-CD2 4.41Å; K1029-F1132 HydrophobicContact CB-CE2 4.16Å; K1029-F1132 HydrophobicContact CD-CD1 3.97Å; K1029-F1132 HydrophobicContact CD-CD2 4.3Å; K1029-F1132 HydrophobicContact CD-CE1 3.63Å; K1029-F1132 HydrophobicContact CD-CE2 4.02Å; K1029-F1132 HydrophobicContact CD-CG 4.3Å; K1029-F1132 HydrophobicContact CD-CZ 3.69Å; K1029-F1132 VanDerWaalsContact CE-CD1 3.47Å; K1029-F1132 HydrophobicContact CG-CD1 4.4Å; K1029-F1132 HydrophobicContact CG-CD2 4.01Å; K1029-F1132 HydrophobicContact CG-CE1 4.38Å; K1029-F1132 HydrophobicContact CG-CE2 4.02Å; K1029-F1132 HydrophobicContact CG-CG 4.24Å; K1029-F1132 HydrophobicContact CG-CZ 4.22Å; K1029-F1132 VanDerWaalsContact NZ-CE1 3.33Å; D1051-F1132 HydrophobicContact CB-CB 3.73Å; D1051-F1132 HydrophobicContact CB-CD1 4.1Å; D1051-F1132 HydrophobicContact CB-CG 4.27Å; D1051-F1132 VanDerWaalsContact O-CB 3.26Å; D1051-F1132 WeakPolarHBondContact O-CB 3.23Å; D1051-F1132 PolarHBondContact O-N 3.16Å; A1053-F1132 HydrophobicContact CB-CD2 4.44Å; S1130-F1132 PolarHBondContact O-N 2.97Å; F1132-E1134 HydrophobicContact CD1-CB 4.39Å; F1132-E1134 HydrophobicContact CD1-CG 3.54Å; F1132-E1134 HydrophobicContact CE1-CB 4.07Å; F1132-E1134 HydrophobicContact CE1-CG 3.59Å | ||
| 1133 | V | 86.6 | Confident | 86 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | trans | -99.1 | 103.1 | -179.6 | -164.3 | 0 | 0 | 0 | 0 | 106.6 | L1114 I1131 L1135 G1136 L1184 V1185 Q1186 | L1114-V1133 HydrophobicContact CD1-CG2 3.41Å; L1114-V1133 VanDerWaalsContact CD1-CG2 3.41Å; I1131-V1133 HydrophobicContact CG1-CG2 4.21Å; I1131-V1133 PolarHBondContact O-N 3.12Å; V1133-L1135 VanDerWaalsContact C-N 3.31Å; V1133-L1135 PolarHBondContact O-N 3.48Å; V1133-G1136 PolarHBondContact O-N 2.62Å; V1133-L1184 HydrophobicContact CB-CB 3.89Å; V1133-L1184 HydrophobicContact CB-CD1 3.84Å; V1133-L1184 HydrophobicContact CG1-CB 3.58Å; V1133-L1184 HydrophobicContact CG1-CD1 4.45Å; V1133-L1184 HydrophobicContact CG2-CB 4.11Å; V1133-L1184 HydrophobicContact CG2-CD1 3.56Å; V1133-L1184 HydrophobicContact CG2-CG 4.48Å; V1133-V1185 VanDerWaalsContact CG1-C 3.41Å; V1133-V1185 WeakPolarHBondContact CG1-O 3.27Å; V1133-Q1186 HydrophobicContact CG1-CB 3.85Å; V1133-Q1186 VanDerWaalsContact CG1-N 3.32Å | ||
| 1134 | E | 81.2 | Confident | 86.8 | Confident | 103 Ų | 103 | 39.9 Ų | 39.9 | 48% | 0.481 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -28.4 | -152.6 | -77.2 | 171.3 | -105.6 | 0 | 0 | 114.6 | R977 F1132 | R977-E1134 IonicContact CZ-OE1 3.09Å; R977-E1134 IonicContact NH1-OE1 3.52Å; R977-E1134 PolarHBondContact NH1-OE1 2.96Å; R977-E1134 IonicContact NH2-OE1 2.71Å; R977-E1134 PolarHBondContact NH2-OE1 2.75Å; F1132-E1134 HydrophobicContact CD1-CB 4.39Å; F1132-E1134 HydrophobicContact CD1-CG 3.54Å; F1132-E1134 HydrophobicContact CE1-CB 4.07Å; F1132-E1134 HydrophobicContact CE1-CG 3.59Å |
| 1135 | L | 85.4 | Confident | 87.7 | Confident | 58 Ų | 58 | 35 Ų | 35 | 30% | 0.304 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -1.5 | 178.8 | -46.5 | 174.8 | 0 | 0 | 0 | 112.5 | V1133 Y1141 V1185 R1188 | V1133-L1135 VanDerWaalsContact C-N 3.31Å; V1133-L1135 PolarHBondContact O-N 3.48Å; L1135-Y1141 HydrophobicContact CB-CD2 3.66Å; L1135-Y1141 HydrophobicContact CB-CE2 3.61Å; L1135-Y1141 HydrophobicContact CD1-CE2 3.95Å; L1135-Y1141 HydrophobicContact CD2-CE2 4.38Å; L1135-Y1141 HydrophobicContact CG-CE2 4.19Å; L1135-Y1141 WeakPolarHBondContact O-CD2 3.46Å; L1135-V1185 HydrophobicContact CB-CB 4.03Å; L1135-V1185 HydrophobicContact CB-CG1 4.11Å; L1135-V1185 VanDerWaalsContact CB-O 3.28Å; L1135-V1185 WeakPolarHBondContact CB-O 3.36Å; L1135-V1185 HydrophobicContact CD1-CG1 3.99Å; L1135-V1185 PolarHBondContact N-O 3.04Å; L1135-R1188 HydrophobicContact CD1-CB 4.09Å |
| 1136 | G | 89 | Confident | 88.3 | Confident | 25 Ų | 25 | 32.6 Ų | 32.6 | 26% | 0.258 | 16% | 0.163 | S | C | . | . | trans | 77.9 | -155.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115 | V1133 L1184 V1185 | V1133-G1136 PolarHBondContact O-N 2.62Å; G1136-L1184 CarbonylContact O-C 3.45Å; G1136-L1184 VanDerWaalsContact O-CA 3.28Å; G1136-L1184 WeakPolarHBondContact O-CA 3.42Å; G1136-V1185 PolarHBondContact O-N 2.74Å | ||
| 1137 | A | 90.9 | Very high | 88 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 20% | 0.198 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -78.1 | 141.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1139 R1140 Y1141 R1181 V1183 L1184 | A1137-D1139 PolarHBondContact O-N 3.3Å; A1137-R1140 PolarHBondContact O-N 3.49Å; A1137-R1140 VanDerWaalsContact O-N 3.15Å; A1137-Y1141 WeakPolarHBondContact O-CB 2.83Å; A1137-Y1141 PolarHBondContact O-N 3.29Å; A1137-R1181 WeakPolarHBondContact CB-O 3.3Å; A1137-V1183 CarbonylContact C-O 3.46Å; A1137-L1184 HydrophobicContact CB-CD2 3.92Å |
| 1138 | L | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -33.3 | -169.1 | 171.2 | 62.5 | 0 | 0 | 0 | 112.6 | R1140 Y1141 V1142 W1157 I1161 A1180 V1183 V1185 V1191 I1248 | L1138-R1140 VanDerWaalsContact C-N 3.29Å; L1138-R1140 PolarHBondContact O-N 2.9Å; L1138-Y1141 PolarHBondContact O-N 2.87Å; L1138-V1142 HydrophobicContact CD1-CG1 3.54Å; L1138-V1142 HydrophobicContact CG-CG1 4.29Å; L1138-V1142 WeakPolarHBondContact O-CG1 3.39Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.06Å; L1138-V1142 PolarHBondContact O-N 3.11Å; L1138-W1157 HydrophobicContact CD1-CD2 3.84Å; L1138-W1157 HydrophobicContact CD1-CE3 3.32Å; L1138-W1157 HydrophobicContact CD1-CH2 3.42Å; L1138-W1157 VanDerWaalsContact CD1-CH2 3.42Å; L1138-W1157 HydrophobicContact CD1-CZ2 3.9Å; L1138-W1157 HydrophobicContact CD1-CZ3 3.13Å; L1138-W1157 HydrophobicContact CD2-CD2 4.44Å; L1138-W1157 HydrophobicContact CD2-CE3 4.29Å; L1138-W1157 HydrophobicContact CG-CE3 4.42Å; L1138-I1161 HydrophobicContact CD2-CD1 4.08Å; L1138-A1180 CarbonylContact C-O 3.47Å; L1138-A1180 WeakPolarHBondContact CA-O 3.14Å; L1138-A1180 VanDerWaalsContact CB-O 3.24Å; L1138-A1180 WeakPolarHBondContact CB-O 3.47Å; L1138-A1180 HydrophobicContact CG-CB 4.39Å; L1138-A1180 PolarHBondContact N-O 2.9Å; L1138-V1183 HydrophobicContact CB-CB 4Å; L1138-V1183 HydrophobicContact CB-CG1 4.19Å; L1138-V1183 WeakPolarHBondContact CB-O 3.26Å; L1138-V1183 HydrophobicContact CD2-CB 3.85Å; L1138-V1183 HydrophobicContact CD2-CG1 3.65Å; L1138-V1183 PolarHBondContact N-O 3.27Å; L1138-V1185 HydrophobicContact CB-CG2 3.73Å; L1138-V1185 HydrophobicContact CD1-CG2 3.81Å; L1138-V1185 HydrophobicContact CG-CG2 4.36Å; L1138-V1191 HydrophobicContact CD2-CG1 4.12Å; L1138-I1248 HydrophobicContact CD2-CD1 3.56Å; L1138-I1248 HydrophobicContact CD2-CG1 3.72Å; L1138-I1248 HydrophobicContact CG-CD1 4.48Å; L1138-I1248 HydrophobicContact CG-CG1 4.11Å |
| 1139 | D | 93.2 | Very high | 87.5 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 172.3 | 85.1 | -60.8 | 0 | 0 | 0 | 111.9 | A1137 V1142 K1143 A1180 R1181 | A1137-D1139 PolarHBondContact O-N 3.3Å; D1139-V1142 WeakPolarHBondContact O-CG2 3.32Å; D1139-K1143 WeakPolarHBondContact O-CD 3.19Å; D1139-K1143 WeakPolarHBondContact O-CE 3.03Å; D1139-K1143 WeakPolarHBondContact O-CG 3.38Å; D1139-K1143 PolarHBondContact O-N 3.04Å; D1139-K1143 IonicContact OD2-NZ 2.66Å; D1139-K1143 PolarHBondContact OD2-NZ 3.28Å; D1139-A1180 HydrophobicContact CB-CB 3.87Å; D1139-A1180 VanDerWaalsContact N-C 3.33Å; D1139-A1180 PolarHBondContact N-O 2.88Å; D1139-R1181 HydrophobicContact CB-CB 4.08Å; D1139-R1181 VanDerWaalsContact OD1-CA 3.29Å; D1139-R1181 WeakPolarHBondContact OD1-CA 3.43Å; D1139-R1181 VanDerWaalsContact OD1-CB 3.31Å; D1139-R1181 WeakPolarHBondContact OD1-CB 3.1Å |
| 1140 | R | 90.4 | Very high | 87.4 | Confident | 119 Ų | 119 | 37.3 Ų | 37.3 | 45% | 0.449 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -75.3 | -38.5 | -179.4 | -163.2 | 177.9 | -169.1 | 167 | 6.5 | 110.3 | L1019 A1137 L1138 K1143 Q1144 | L1019-R1140 PolarHBondContact O-NH1 3.14Å; A1137-R1140 PolarHBondContact O-N 3.49Å; A1137-R1140 VanDerWaalsContact O-N 3.15Å; L1138-R1140 VanDerWaalsContact C-N 3.29Å; L1138-R1140 PolarHBondContact O-N 2.9Å; R1140-K1143 PolarHBondContact O-N 3.03Å; R1140-Q1144 VanDerWaalsContact O-CB 3.29Å; R1140-Q1144 WeakPolarHBondContact O-CB 3.06Å; R1140-Q1144 VanDerWaalsContact O-CG 3.23Å; R1140-Q1144 WeakPolarHBondContact O-CG 3.25Å; R1140-Q1144 PolarHBondContact O-N 3.14Å; R1140-Q1144 PolarHBondContact O-OE1 2.83Å |
| 1141 | Y | 92 | Very high | 87.4 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -52.6 | 172.4 | -166.1 | -86.5 | 0 | 0 | 0 | 110.1 | L1135 A1137 L1138 K1143 Q1144 H1145 E1148 L1149 W1157 V1185 R1188 | L1135-Y1141 HydrophobicContact CB-CD2 3.66Å; L1135-Y1141 HydrophobicContact CB-CE2 3.61Å; L1135-Y1141 HydrophobicContact CD1-CE2 3.95Å; L1135-Y1141 HydrophobicContact CD2-CE2 4.38Å; L1135-Y1141 HydrophobicContact CG-CE2 4.19Å; L1135-Y1141 WeakPolarHBondContact O-CD2 3.46Å; A1137-Y1141 WeakPolarHBondContact O-CB 2.83Å; A1137-Y1141 PolarHBondContact O-N 3.29Å; L1138-Y1141 PolarHBondContact O-N 2.87Å; Y1141-K1143 PolarHBondContact O-N 3.15Å; Y1141-Q1144 PolarHBondContact O-N 3.3Å; Y1141-Q1144 VanDerWaalsContact O-N 3.07Å; Y1141-H1145 WeakPolarHBondContact CA-ND1 3.15Å; Y1141-H1145 HydrophobicContact CD1-CB 3.93Å; Y1141-H1145 AromaticContact CD1-CG 3.92Å; Y1141-H1145 AromaticContact CD1-ND1 3.78Å; Y1141-H1145 AromaticContact CD2-CE1 3.21Å; Y1141-H1145 WeakPolarHBondContact CD2-CE1 3.09Å; Y1141-H1145 AromaticContact CD2-CG 3.84Å; Y1141-H1145 AromaticContact CD2-ND1 3.25Å; Y1141-H1145 VanDerWaalsContact CD2-ND1 3.25Å; Y1141-H1145 WeakPolarHBondContact CD2-ND1 3.47Å; Y1141-H1145 AromaticContact CD2-NE2 3.75Å; Y1141-H1145 HydrophobicContact CE1-CB 3.58Å; Y1141-H1145 AromaticContact CE1-CG 3.62Å; Y1141-H1145 AromaticContact CE1-ND1 3.93Å; Y1141-H1145 HydrophobicContact CE2-CB 4.38Å; Y1141-H1145 AromaticContact CE2-CD2 3.39Å; Y1141-H1145 WeakPolarHBondContact CE2-CD2 3.27Å; Y1141-H1145 AromaticContact CE2-CE1 3.25Å; Y1141-H1145 WeakPolarHBondContact CE2-CE1 2.98Å; Y1141-H1145 AromaticContact CE2-CG 3.49Å; Y1141-H1145 VanDerWaalsContact CE2-CG 3.49Å; Y1141-H1145 AromaticContact CE2-ND1 3.38Å; Y1141-H1145 WeakPolarHBondContact CE2-ND1 2.86Å; Y1141-H1145 AromaticContact CE2-NE2 3.26Å; Y1141-H1145 VanDerWaalsContact CE2-NE2 3.26Å; Y1141-H1145 WeakPolarHBondContact CE2-NE2 3.44Å; Y1141-H1145 AromaticContact CG-CE1 3.9Å; Y1141-H1145 AromaticContact CG-ND1 3.46Å; Y1141-H1145 AromaticContact CZ-CD2 3.44Å; Y1141-H1145 VanDerWaalsContact CZ-CD2 3.44Å; Y1141-H1145 AromaticContact CZ-CE1 4Å; Y1141-H1145 AromaticContact CZ-CG 3.38Å; Y1141-H1145 AromaticContact CZ-ND1 3.73Å; Y1141-H1145 AromaticContact CZ-NE2 3.85Å; Y1141-H1145 VanDerWaalsContact O-CB 3.26Å; Y1141-H1145 WeakPolarHBondContact O-CB 3.22Å; Y1141-H1145 PolarHBondContact O-N 3.42Å; Y1141-H1145 PolarHBondContact O-ND1 3.36Å; Y1141-H1145 PolarHBondContact OH-CD2 3.35Å; Y1141-E1148 PolarHBondContact OH-OE2 2.94Å; Y1141-L1149 HydrophobicContact CD1-CD1 4.25Å; Y1141-L1149 HydrophobicContact CE1-CD1 4.37Å; Y1141-L1149 HydrophobicContact CE1-CD2 4.23Å; Y1141-W1157 AromaticContact CD1-CH2 3.52Å; Y1141-W1157 HydrophobicContact CD1-CH2 3.52Å; Y1141-W1157 HydrophobicContact CD1-CZ2 4.17Å; Y1141-W1157 AromaticContact CE1-CH2 3.73Å; Y1141-W1157 HydrophobicContact CE1-CH2 3.73Å; Y1141-W1157 HydrophobicContact CE1-CZ2 4.2Å; Y1141-V1185 HydrophobicContact CD1-CG1 4.46Å; Y1141-V1185 HydrophobicContact CD1-CG2 4.48Å; Y1141-V1185 HydrophobicContact CD2-CB 4.46Å; Y1141-V1185 HydrophobicContact CD2-CG1 4.34Å; Y1141-V1185 HydrophobicContact CG-CB 4.42Å; Y1141-V1185 HydrophobicContact CG-CG1 4.33Å; Y1141-V1185 HydrophobicContact CG-CG2 4.04Å; Y1141-R1188 HydrophobicContact CE1-CB 4.19Å; Y1141-R1188 HydrophobicContact CE1-CG 3.89Å; Y1141-R1188 VanDerWaalsContact OH-CD 3.25Å; Y1141-R1188 WeakPolarHBondContact OH-CD 3.04Å |
| 1142 | V | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -26.1 | -179.5 | -56.3 | 0 | 0 | 0 | 0 | 114.3 | L1138 D1139 A1146 L1149 L1154 W1157 F1251 G1252 | L1138-V1142 HydrophobicContact CD1-CG1 3.54Å; L1138-V1142 HydrophobicContact CG-CG1 4.29Å; L1138-V1142 WeakPolarHBondContact O-CG1 3.39Å; L1138-V1142 WeakPolarHBondContact O-CG2 3.06Å; L1138-V1142 PolarHBondContact O-N 3.11Å; D1139-V1142 WeakPolarHBondContact O-CG2 3.32Å; V1142-A1146 WeakPolarHBondContact O-CA 3.14Å; V1142-A1146 VanDerWaalsContact O-CB 3.23Å; V1142-A1146 WeakPolarHBondContact O-CB 3.35Å; V1142-A1146 PolarHBondContact O-N 3.08Å; V1142-L1149 VanDerWaalsContact CA-CD1 3.5Å; V1142-L1149 HydrophobicContact CB-CD1 3.81Å; V1142-L1149 HydrophobicContact CG1-CD1 3.69Å; V1142-L1154 HydrophobicContact CG1-CD2 4.3Å; V1142-W1157 HydrophobicContact CG1-CE3 4.44Å; V1142-W1157 HydrophobicContact CG1-CH2 4.35Å; V1142-W1157 HydrophobicContact CG1-CZ3 3.62Å; V1142-F1251 WeakPolarHBondContact O-CB 3.11Å; V1142-G1252 VanDerWaalsContact CG2-N 3.33Å |
| 1143 | K | 90.1 | Very high | 88 | Confident | 104 Ų | 104 | 36 Ų | 36 | 45% | 0.452 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73.2 | -42 | 170.9 | -70.3 | 159.7 | -169.7 | 166.5 | 0 | 113.1 | D1139 R1140 Y1141 F1251 G1252 | D1139-K1143 WeakPolarHBondContact O-CD 3.19Å; D1139-K1143 WeakPolarHBondContact O-CE 3.03Å; D1139-K1143 WeakPolarHBondContact O-CG 3.38Å; D1139-K1143 PolarHBondContact O-N 3.04Å; D1139-K1143 IonicContact OD2-NZ 2.66Å; D1139-K1143 PolarHBondContact OD2-NZ 3.28Å; R1140-K1143 PolarHBondContact O-N 3.03Å; Y1141-K1143 PolarHBondContact O-N 3.15Å; K1143-F1251 WeakPolarHBondContact CG-O 3.46Å; K1143-G1252 WeakPolarHBondContact CE-O 3.16Å; K1143-G1252 PolarHBondContact NZ-O 3.36Å |
| 1144 | Q | 86.7 | Confident | 88.3 | Confident | 98 Ų | 98 | 35.8 Ų | 35.8 | 46% | 0.458 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -80.9 | -27.2 | -174.6 | -74.9 | 175.2 | -32.4 | 0 | 0 | 113 | L393 R1140 Y1141 | L393-Q1144 WeakPolarHBondContact CD2-O 3.26Å; R1140-Q1144 VanDerWaalsContact O-CB 3.29Å; R1140-Q1144 WeakPolarHBondContact O-CB 3.06Å; R1140-Q1144 VanDerWaalsContact O-CG 3.23Å; R1140-Q1144 WeakPolarHBondContact O-CG 3.25Å; R1140-Q1144 PolarHBondContact O-N 3.14Å; R1140-Q1144 PolarHBondContact O-OE1 2.83Å; Y1141-Q1144 PolarHBondContact O-N 3.3Å; Y1141-Q1144 VanDerWaalsContact O-N 3.07Å |
| 1145 | H | 86.1 | Confident | 89 | Confident | 22 Ų | 22 | 30.9 Ų | 30.9 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -116.8 | 21.6 | -174.5 | -49.2 | 78.4 | 0 | 0 | 0 | 109.3 | Y1141 E1148 L1149 | Y1141-H1145 WeakPolarHBondContact CA-ND1 3.15Å; Y1141-H1145 HydrophobicContact CD1-CB 3.93Å; Y1141-H1145 AromaticContact CD1-CG 3.92Å; Y1141-H1145 AromaticContact CD1-ND1 3.78Å; Y1141-H1145 AromaticContact CD2-CE1 3.21Å; Y1141-H1145 WeakPolarHBondContact CD2-CE1 3.09Å; Y1141-H1145 AromaticContact CD2-CG 3.84Å; Y1141-H1145 AromaticContact CD2-ND1 3.25Å; Y1141-H1145 VanDerWaalsContact CD2-ND1 3.25Å; Y1141-H1145 WeakPolarHBondContact CD2-ND1 3.47Å; Y1141-H1145 AromaticContact CD2-NE2 3.75Å; Y1141-H1145 HydrophobicContact CE1-CB 3.58Å; Y1141-H1145 AromaticContact CE1-CG 3.62Å; Y1141-H1145 AromaticContact CE1-ND1 3.93Å; Y1141-H1145 HydrophobicContact CE2-CB 4.38Å; Y1141-H1145 AromaticContact CE2-CD2 3.39Å; Y1141-H1145 WeakPolarHBondContact CE2-CD2 3.27Å; Y1141-H1145 AromaticContact CE2-CE1 3.25Å; Y1141-H1145 WeakPolarHBondContact CE2-CE1 2.98Å; Y1141-H1145 AromaticContact CE2-CG 3.49Å; Y1141-H1145 VanDerWaalsContact CE2-CG 3.49Å; Y1141-H1145 AromaticContact CE2-ND1 3.38Å; Y1141-H1145 WeakPolarHBondContact CE2-ND1 2.86Å; Y1141-H1145 AromaticContact CE2-NE2 3.26Å; Y1141-H1145 VanDerWaalsContact CE2-NE2 3.26Å; Y1141-H1145 WeakPolarHBondContact CE2-NE2 3.44Å; Y1141-H1145 AromaticContact CG-CE1 3.9Å; Y1141-H1145 AromaticContact CG-ND1 3.46Å; Y1141-H1145 AromaticContact CZ-CD2 3.44Å; Y1141-H1145 VanDerWaalsContact CZ-CD2 3.44Å; Y1141-H1145 AromaticContact CZ-CE1 4Å; Y1141-H1145 AromaticContact CZ-CG 3.38Å; Y1141-H1145 AromaticContact CZ-ND1 3.73Å; Y1141-H1145 AromaticContact CZ-NE2 3.85Å; Y1141-H1145 VanDerWaalsContact O-CB 3.26Å; Y1141-H1145 WeakPolarHBondContact O-CB 3.22Å; Y1141-H1145 PolarHBondContact O-N 3.42Å; Y1141-H1145 PolarHBondContact O-ND1 3.36Å; Y1141-H1145 PolarHBondContact OH-CD2 3.35Å; H1145-E1148 HydrophobicContact CB-CB 4.15Å; H1145-E1148 WeakPolarHBondContact CB-OE1 2.87Å; H1145-E1148 IonicContact CD2-OE1 2.72Å; H1145-E1148 PolarHBondContact CD2-OE1 3.02Å; H1145-E1148 IonicContact CG-OE1 2.63Å; H1145-E1148 CarbonylContact O-C 3.57Å; H1145-E1148 WeakPolarHBondContact O-CA 3.12Å; H1145-E1148 WeakPolarHBondContact O-CB 3.21Å; H1145-E1148 PolarHBondContact O-N 2.74Å; H1145-L1149 HydrophobicContact CB-CD1 4.21Å; H1145-L1149 HydrophobicContact CB-CG 4.39Å; H1145-L1149 WeakPolarHBondContact O-CB 3.34Å; H1145-L1149 VanDerWaalsContact O-CD1 3.29Å; H1145-L1149 WeakPolarHBondContact O-CD1 3.31Å; H1145-L1149 WeakPolarHBondContact O-CG 3.39Å; H1145-L1149 PolarHBondContact O-N 2.57Å |
| 1146 | A | 84.4 | Confident | 89.5 | Confident | 16 Ų | 16 | 29.6 Ų | 29.6 | 13% | 0.132 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -56.3 | -54.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1142 E1148 L1149 F1251 | V1142-A1146 WeakPolarHBondContact O-CA 3.14Å; V1142-A1146 VanDerWaalsContact O-CB 3.23Å; V1142-A1146 WeakPolarHBondContact O-CB 3.35Å; V1142-A1146 PolarHBondContact O-N 3.08Å; A1146-E1148 PolarHBondContact O-N 2.82Å; A1146-E1148 VanDerWaalsContact O-N 3.1Å; A1146-L1149 PolarHBondContact O-N 3.11Å; A1146-F1251 HydrophobicContact CB-CB 3.79Å; A1146-F1251 HydrophobicContact CB-CD1 3.98Å; A1146-F1251 HydrophobicContact CB-CD2 4.41Å; A1146-F1251 HydrophobicContact CB-CG 3.81Å |
| 1147 | D | 77.4 | Confident | 89.9 | Confident | 137 Ų | 137 | 28.4 Ų | 28.4 | 73% | 0.733 | 14% | 0.141 | S | C | * | . | G | 310 helix | trans | -65.8 | -10.1 | 177.9 | -47 | -31.2 | 0 | 0 | 0 | 113.1 | L360 L393 | L360-D1147 WeakPolarHBondContact CD1-O 3.32Å; L393-D1147 HydrophobicContact CD1-CB 3.93Å |
| 1148 | E | 80.1 | Confident | 90.2 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -99.8 | -17.6 | 178.9 | -161.6 | -161.4 | -41.5 | 0 | 0 | 112 | L360 L393 F394 Y1141 H1145 A1146 R1188 | L360-E1148 VanDerWaalsContact CB-O 3.25Å; L360-E1148 WeakPolarHBondContact CB-O 3.49Å; L360-E1148 VanDerWaalsContact CG-O 3.26Å; L360-E1148 WeakPolarHBondContact CG-O 3.4Å; L360-E1148 PolarHBondContact N-O 2.71Å; L393-E1148 VanDerWaalsContact C-OE1 3.31Å; L393-E1148 WeakPolarHBondContact CA-OE1 3.38Å; L393-E1148 HydrophobicContact CB-CB 3.91Å; L393-E1148 HydrophobicContact CB-CG 3.8Å; L393-E1148 WeakPolarHBondContact CB-OE1 3.28Å; L393-E1148 HydrophobicContact CD1-CB 4.33Å; L393-E1148 HydrophobicContact CD2-CB 4.04Å; L393-E1148 HydrophobicContact CG-CB 4.28Å; F394-E1148 HydrophobicContact CE1-CG 3.81Å; F394-E1148 HydrophobicContact CE2-CG 3.83Å; F394-E1148 HydrophobicContact CZ-CB 4.35Å; F394-E1148 HydrophobicContact CZ-CG 3.43Å; F394-E1148 VanDerWaalsContact CZ-CG 3.43Å; Y1141-E1148 PolarHBondContact OH-OE2 2.94Å; H1145-E1148 HydrophobicContact CB-CB 4.15Å; H1145-E1148 WeakPolarHBondContact CB-OE1 2.87Å; H1145-E1148 IonicContact CD2-OE1 2.72Å; H1145-E1148 PolarHBondContact CD2-OE1 3.02Å; H1145-E1148 IonicContact CG-OE1 2.63Å; H1145-E1148 CarbonylContact O-C 3.57Å; H1145-E1148 WeakPolarHBondContact O-CA 3.12Å; H1145-E1148 WeakPolarHBondContact O-CB 3.21Å; H1145-E1148 PolarHBondContact O-N 2.74Å; A1146-E1148 PolarHBondContact O-N 2.82Å; A1146-E1148 VanDerWaalsContact O-N 3.1Å; E1148-R1188 VanDerWaalsContact O-CZ 3.27Å; E1148-R1188 PolarHBondContact O-NH1 3.23Å; E1148-R1188 PolarHBondContact O-NH2 3.13Å; E1148-R1188 IonicContact OE2-CZ 2.68Å; E1148-R1188 IonicContact OE2-NH1 2.7Å; E1148-R1188 PolarHBondContact OE2-NH1 3.31Å |
| 1149 | L | 85.3 | Confident | 90.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 138.6 | -163.5 | -87.5 | 163.4 | 0 | 0 | 0 | 111.8 | Y1141 V1142 H1145 A1146 T1153 L1154 W1157 R1188 F1251 I1322 | Y1141-L1149 HydrophobicContact CD1-CD1 4.25Å; Y1141-L1149 HydrophobicContact CE1-CD1 4.37Å; Y1141-L1149 HydrophobicContact CE1-CD2 4.23Å; V1142-L1149 VanDerWaalsContact CA-CD1 3.5Å; V1142-L1149 HydrophobicContact CB-CD1 3.81Å; V1142-L1149 HydrophobicContact CG1-CD1 3.69Å; H1145-L1149 HydrophobicContact CB-CD1 4.21Å; H1145-L1149 HydrophobicContact CB-CG 4.39Å; H1145-L1149 WeakPolarHBondContact O-CB 3.34Å; H1145-L1149 VanDerWaalsContact O-CD1 3.29Å; H1145-L1149 WeakPolarHBondContact O-CD1 3.31Å; H1145-L1149 WeakPolarHBondContact O-CG 3.39Å; H1145-L1149 PolarHBondContact O-N 2.57Å; A1146-L1149 PolarHBondContact O-N 3.11Å; L1149-T1153 HydrophobicContact CD2-CG2 3.28Å; L1149-L1154 HydrophobicContact CB-CD2 4.18Å; L1149-L1154 HydrophobicContact CD1-CD2 4.14Å; L1149-L1154 HydrophobicContact CD2-CD2 3.8Å; L1149-L1154 HydrophobicContact CG-CD2 4.27Å; L1149-W1157 HydrophobicContact CD1-CH2 4.26Å; L1149-W1157 HydrophobicContact CD1-CZ3 4.14Å; L1149-W1157 HydrophobicContact CD2-CH2 3.46Å; L1149-W1157 VanDerWaalsContact CD2-CH2 3.46Å; L1149-W1157 HydrophobicContact CD2-CZ2 4.42Å; L1149-W1157 HydrophobicContact CD2-CZ3 3.58Å; L1149-R1188 HydrophobicContact CD2-CG 4.48Å; L1149-F1251 HydrophobicContact CB-CD1 4.35Å; L1149-F1251 HydrophobicContact CB-CE1 3.75Å; L1149-F1251 HydrophobicContact CD1-CD1 4.4Å; L1149-I1322 VanDerWaalsContact O-CD1 3.24Å; L1149-I1322 WeakPolarHBondContact O-CD1 3.44Å; L1149-I1322 WeakPolarHBondContact O-CG2 3.33Å |
| 1150 | N | 87 | Confident | 90.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -120.3 | 158.5 | -172.1 | 98.3 | 12.4 | 0 | 0 | 0 | 109.9 | G358 S359 L1152 T1153 L1154 D1325 Q1326 Y1327 | G358-N1150 PolarHBondContact O-ND2 2.02Å; G358-N1150 PolarHBondContact O-OD1 3.13Å; S359-N1150 PolarHBondContact O-ND2 3.11Å; N1150-L1152 VanDerWaalsContact C-N 3.3Å; N1150-L1152 PolarHBondContact O-N 3.37Å; N1150-L1152 WeakPolarHBondContact OD1-CA 3.35Å; N1150-L1152 WeakPolarHBondContact OD1-CB 3.43Å; N1150-L1152 PolarHBondContact OD1-N 3.42Å; N1150-T1153 PolarHBondContact N-OG1 2.91Å; N1150-T1153 VanDerWaalsContact O-CB 3.24Å; N1150-T1153 WeakPolarHBondContact O-CB 3.33Å; N1150-T1153 PolarHBondContact O-N 3.5Å; N1150-T1153 PolarHBondContact O-OG1 2.86Å; N1150-T1153 VanDerWaalsContact O-OG1 3.1Å; N1150-T1153 PolarHBondContact OD1-N 3.44Å; N1150-T1153 PolarHBondContact OD1-OG1 3.43Å; N1150-L1154 WeakPolarHBondContact O-CG 3.47Å; N1150-L1154 PolarHBondContact O-N 2.89Å; N1150-D1325 HydrophobicContact CB-CB 4.2Å; N1150-D1325 WeakPolarHBondContact CB-OD1 3.48Å; N1150-Q1326 PolarHBondContact ND2-NE2 2.04Å; N1150-Q1326 PolarHBondContact ND2-OE1 3.15Å; N1150-Y1327 WeakPolarHBondContact ND2-CE2 3.41Å | ||
| 1151 | S | 89.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62 | -34.8 | -173.5 | 52.4 | 0 | 0 | 0 | 0 | 113.3 | T1153 L1154 L1155 P1316 G1317 D1325 Y1327 | S1151-T1153 VanDerWaalsContact C-N 3.32Å; S1151-L1154 PolarHBondContact O-N 2.94Å; S1151-L1155 VanDerWaalsContact O-CB 3.28Å; S1151-L1155 WeakPolarHBondContact O-CB 3.47Å; S1151-L1155 WeakPolarHBondContact O-CD1 3.29Å; S1151-L1155 VanDerWaalsContact O-CG 3.22Å; S1151-L1155 WeakPolarHBondContact O-CG 3.46Å; S1151-L1155 PolarHBondContact O-N 3.23Å; S1151-P1316 VanDerWaalsContact CB-C 3.44Å; S1151-P1316 WeakPolarHBondContact CB-O 3.3Å; S1151-G1317 WeakPolarHBondContact OG-CA 3.39Å; S1151-G1317 PolarHBondContact OG-N 3.48Å; S1151-D1325 WeakPolarHBondContact CB-OD2 3.24Å; S1151-D1325 PolarHBondContact N-OD2 2.98Å; S1151-D1325 PolarHBondContact OG-OD2 3.11Å; S1151-Y1327 WeakPolarHBondContact OG-CB 3.07Å |
| 1152 | L | 92.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 174 | -174.9 | 63.3 | 0 | 0 | 0 | 110.6 | E352 N1150 L1154 S1156 C1313 P1316 Y1327 | E352-L1152 HydrophobicContact CB-CD2 4Å; E352-L1152 HydrophobicContact CG-CD2 3.62Å; N1150-L1152 VanDerWaalsContact C-N 3.3Å; N1150-L1152 PolarHBondContact O-N 3.37Å; N1150-L1152 WeakPolarHBondContact OD1-CA 3.35Å; N1150-L1152 WeakPolarHBondContact OD1-CB 3.43Å; N1150-L1152 PolarHBondContact OD1-N 3.42Å; L1152-L1154 VanDerWaalsContact C-N 3.29Å; L1152-L1154 PolarHBondContact O-N 3.31Å; L1152-S1156 WeakPolarHBondContact O-CA 3.33Å; L1152-S1156 WeakPolarHBondContact O-CB 3.43Å; L1152-S1156 PolarHBondContact O-N 2.89Å; L1152-C1313 HydrophobicContact CD1-CB 3.62Å; L1152-P1316 HydrophobicContact CB-CB 3.99Å; L1152-P1316 HydrophobicContact CB-CG 3.73Å; L1152-P1316 HydrophobicContact CD1-CB 4.19Å; L1152-P1316 HydrophobicContact CD1-CG 4.1Å; L1152-P1316 HydrophobicContact CG-CG 4.45Å; L1152-Y1327 HydrophobicContact CB-CD2 3.82Å; L1152-Y1327 HydrophobicContact CB-CE2 3.2Å; L1152-Y1327 HydrophobicContact CD2-CE2 4.12Å; L1152-Y1327 WeakPolarHBondContact CD2-OH 3.38Å; L1152-Y1327 HydrophobicContact CG-CE2 4.28Å |
| 1153 | T | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.3 | -54.6 | 175.9 | -35.2 | 0 | 0 | 0 | 0 | 110 | N357 G358 L1149 N1150 S1151 S1156 W1157 R1188 | N357-T1153 WeakPolarHBondContact O-CG2 3.43Å; N357-T1153 PolarHBondContact O-OG1 2.95Å; G358-T1153 PolarHBondContact O-OG1 3.37Å; L1149-T1153 HydrophobicContact CD2-CG2 3.28Å; N1150-T1153 PolarHBondContact N-OG1 2.91Å; N1150-T1153 VanDerWaalsContact O-CB 3.24Å; N1150-T1153 WeakPolarHBondContact O-CB 3.33Å; N1150-T1153 PolarHBondContact O-N 3.5Å; N1150-T1153 PolarHBondContact O-OG1 2.86Å; N1150-T1153 VanDerWaalsContact O-OG1 3.1Å; N1150-T1153 PolarHBondContact OD1-N 3.44Å; N1150-T1153 PolarHBondContact OD1-OG1 3.43Å; S1151-T1153 VanDerWaalsContact C-N 3.32Å; T1153-S1156 PolarHBondContact O-N 2.77Å; T1153-W1157 HydrophobicContact CG2-CD2 3.7Å; T1153-W1157 HydrophobicContact CG2-CE3 3.78Å; T1153-W1157 HydrophobicContact CG2-CH2 3.42Å; T1153-W1157 VanDerWaalsContact CG2-CH2 3.42Å; T1153-W1157 HydrophobicContact CG2-CZ2 3.34Å; T1153-W1157 HydrophobicContact CG2-CZ3 3.6Å; T1153-W1157 VanDerWaalsContact O-CB 3.32Å; T1153-W1157 WeakPolarHBondContact O-CB 3.24Å; T1153-W1157 PolarHBondContact O-N 2.69Å; T1153-R1188 HydrophobicContact CG2-CG 3.51Å; T1153-R1188 PolarHBondContact OG1-NE 3.09Å; T1153-R1188 PolarHBondContact OG1-NH2 3.18Å |
| 1154 | L | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.3 | -34.4 | -168.5 | -52.8 | -173.3 | 0 | 0 | 0 | 110.9 | V1142 L1149 N1150 S1151 L1152 W1157 A1158 I1248 F1249 F1251 I1279 L1320 I1322 | V1142-L1154 HydrophobicContact CG1-CD2 4.3Å; L1149-L1154 HydrophobicContact CB-CD2 4.18Å; L1149-L1154 HydrophobicContact CD1-CD2 4.14Å; L1149-L1154 HydrophobicContact CD2-CD2 3.8Å; L1149-L1154 HydrophobicContact CG-CD2 4.27Å; N1150-L1154 WeakPolarHBondContact O-CG 3.47Å; N1150-L1154 PolarHBondContact O-N 2.89Å; S1151-L1154 PolarHBondContact O-N 2.94Å; L1152-L1154 VanDerWaalsContact C-N 3.29Å; L1152-L1154 PolarHBondContact O-N 3.31Å; L1154-W1157 HydrophobicContact CD2-CE3 3.58Å; L1154-W1157 HydrophobicContact CD2-CZ3 3.4Å; L1154-W1157 VanDerWaalsContact CD2-CZ3 3.4Å; L1154-A1158 WeakPolarHBondContact O-CB 3.41Å; L1154-A1158 PolarHBondContact O-N 3.07Å; L1154-I1248 HydrophobicContact CB-CG2 3.83Å; L1154-I1248 HydrophobicContact CD2-CG2 3.71Å; L1154-I1248 HydrophobicContact CG-CG2 4.22Å; L1154-F1249 HydrophobicContact CB-CD1 3.79Å; L1154-F1249 HydrophobicContact CB-CE1 3.65Å; L1154-F1249 HydrophobicContact CD1-CD1 4.19Å; L1154-F1249 WeakPolarHBondContact O-CE1 2.95Å; L1154-F1251 HydrophobicContact CD1-CE1 3.94Å; L1154-F1251 HydrophobicContact CD1-CZ 4.48Å; L1154-I1279 HydrophobicContact CD1-CD1 3.33Å; L1154-L1320 HydrophobicContact CB-CD1 3.49Å; L1154-L1320 VanDerWaalsContact CB-CD1 3.49Å; L1154-L1320 HydrophobicContact CD1-CD1 4.03Å; L1154-L1320 HydrophobicContact CG-CD1 4.3Å; L1154-I1322 HydrophobicContact CD1-CD1 3.66Å; L1154-I1322 HydrophobicContact CG-CD1 4.36Å |
| 1155 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -78.3 | -34.9 | 176.5 | -67.1 | 165.9 | 0 | 0 | 0 | 113 | S1151 A1158 E1159 F1249 V1284 F1309 F1312 C1313 P1316 L1320 | S1151-L1155 VanDerWaalsContact O-CB 3.28Å; S1151-L1155 WeakPolarHBondContact O-CB 3.47Å; S1151-L1155 WeakPolarHBondContact O-CD1 3.29Å; S1151-L1155 VanDerWaalsContact O-CG 3.22Å; S1151-L1155 WeakPolarHBondContact O-CG 3.46Å; S1151-L1155 PolarHBondContact O-N 3.23Å; L1155-A1158 WeakPolarHBondContact O-CB 3.16Å; L1155-A1158 PolarHBondContact O-N 3.37Å; L1155-E1159 PolarHBondContact O-N 2.73Å; L1155-F1249 HydrophobicContact CD2-CZ 4.22Å; L1155-V1284 HydrophobicContact CD2-CG2 4.05Å; L1155-F1309 HydrophobicContact CD2-CD1 3.7Å; L1155-F1309 HydrophobicContact CD2-CE1 3.77Å; L1155-F1312 HydrophobicContact CD1-CB 4.25Å; L1155-F1312 HydrophobicContact CD2-CB 4.03Å; L1155-F1312 HydrophobicContact CD2-CD2 4.08Å; L1155-C1313 VanDerWaalsContact C-SG 3.58Å; L1155-P1316 HydrophobicContact CD1-CB 3.6Å; L1155-P1316 VanDerWaalsContact CD1-O 3.22Å; L1155-P1316 WeakPolarHBondContact CD1-O 3.41Å; L1155-L1320 HydrophobicContact CD1-CD1 4.24Å; L1155-L1320 HydrophobicContact CD1-CG 4.09Å; L1155-L1320 HydrophobicContact CD2-CD1 4.02Å; L1155-L1320 HydrophobicContact CD2-CG 3.98Å; L1155-L1320 HydrophobicContact CG-CD1 3.68Å; L1155-L1320 HydrophobicContact CG-CG 3.92Å |
| 1156 | S | 95.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 13.9 Ų | 13.9 | 21% | 0.21 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 171.8 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | L1152 T1153 A1158 E1159 Q1160 C1313 | L1152-S1156 WeakPolarHBondContact O-CA 3.33Å; L1152-S1156 WeakPolarHBondContact O-CB 3.43Å; L1152-S1156 PolarHBondContact O-N 2.89Å; T1153-S1156 PolarHBondContact O-N 2.77Å; S1156-A1158 VanDerWaalsContact C-N 3.33Å; S1156-A1158 PolarHBondContact O-N 2.76Å; S1156-E1159 WeakPolarHBondContact O-CB 3.46Å; S1156-E1159 PolarHBondContact O-N 2.75Å; S1156-E1159 VanDerWaalsContact O-N 3.14Å; S1156-Q1160 VanDerWaalsContact O-CB 3.32Å; S1156-Q1160 WeakPolarHBondContact O-CB 3.42Å; S1156-Q1160 WeakPolarHBondContact O-CG 3.3Å; S1156-Q1160 PolarHBondContact O-N 3.23Å; S1156-Q1160 PolarHBondContact O-NE2 2.92Å; S1156-Q1160 PolarHBondContact OG-NE2 2.9Å; S1156-C1313 VanDerWaalsContact CA-SG 3.56Å; S1156-C1313 PolarHBondContact N-SG 2.85Å |
| 1157 | W | 97 | Very high | 93 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.3 | -42.2 | 169.4 | -69.2 | -12.4 | 0 | 0 | 0 | 113.1 | L1138 Y1141 V1142 L1149 T1153 L1154 E1159 Q1160 I1161 V1185 R1188 V1191 I1248 | L1138-W1157 HydrophobicContact CD1-CD2 3.84Å; L1138-W1157 HydrophobicContact CD1-CE3 3.32Å; L1138-W1157 HydrophobicContact CD1-CH2 3.42Å; L1138-W1157 VanDerWaalsContact CD1-CH2 3.42Å; L1138-W1157 HydrophobicContact CD1-CZ2 3.9Å; L1138-W1157 HydrophobicContact CD1-CZ3 3.13Å; L1138-W1157 HydrophobicContact CD2-CD2 4.44Å; L1138-W1157 HydrophobicContact CD2-CE3 4.29Å; L1138-W1157 HydrophobicContact CG-CE3 4.42Å; Y1141-W1157 AromaticContact CD1-CH2 3.52Å; Y1141-W1157 HydrophobicContact CD1-CH2 3.52Å; Y1141-W1157 HydrophobicContact CD1-CZ2 4.17Å; Y1141-W1157 AromaticContact CE1-CH2 3.73Å; Y1141-W1157 HydrophobicContact CE1-CH2 3.73Å; Y1141-W1157 HydrophobicContact CE1-CZ2 4.2Å; V1142-W1157 HydrophobicContact CG1-CE3 4.44Å; V1142-W1157 HydrophobicContact CG1-CH2 4.35Å; V1142-W1157 HydrophobicContact CG1-CZ3 3.62Å; L1149-W1157 HydrophobicContact CD1-CH2 4.26Å; L1149-W1157 HydrophobicContact CD1-CZ3 4.14Å; L1149-W1157 HydrophobicContact CD2-CH2 3.46Å; L1149-W1157 VanDerWaalsContact CD2-CH2 3.46Å; L1149-W1157 HydrophobicContact CD2-CZ2 4.42Å; L1149-W1157 HydrophobicContact CD2-CZ3 3.58Å; T1153-W1157 HydrophobicContact CG2-CD2 3.7Å; T1153-W1157 HydrophobicContact CG2-CE3 3.78Å; T1153-W1157 HydrophobicContact CG2-CH2 3.42Å; T1153-W1157 VanDerWaalsContact CG2-CH2 3.42Å; T1153-W1157 HydrophobicContact CG2-CZ2 3.34Å; T1153-W1157 HydrophobicContact CG2-CZ3 3.6Å; T1153-W1157 VanDerWaalsContact O-CB 3.32Å; T1153-W1157 WeakPolarHBondContact O-CB 3.24Å; T1153-W1157 PolarHBondContact O-N 2.69Å; L1154-W1157 HydrophobicContact CD2-CE3 3.58Å; L1154-W1157 HydrophobicContact CD2-CZ3 3.4Å; L1154-W1157 VanDerWaalsContact CD2-CZ3 3.4Å; W1157-E1159 VanDerWaalsContact C-N 3.33Å; W1157-E1159 PolarHBondContact O-N 3.25Å; W1157-Q1160 PolarHBondContact O-N 2.92Å; W1157-I1161 HydrophobicContact CB-CD1 4.45Å; W1157-I1161 VanDerWaalsContact O-CB 3.29Å; W1157-I1161 WeakPolarHBondContact O-CB 3.48Å; W1157-I1161 VanDerWaalsContact O-CD1 3.28Å; W1157-I1161 WeakPolarHBondContact O-CD1 3.08Å; W1157-I1161 WeakPolarHBondContact O-CG1 3.41Å; W1157-I1161 PolarHBondContact O-N 3.19Å; W1157-V1185 HydrophobicContact CZ2-CG1 3.76Å; W1157-V1185 HydrophobicContact CZ2-CG2 4.29Å; W1157-R1188 HydrophobicContact CH2-CG 4.06Å; W1157-R1188 HydrophobicContact CZ2-CB 4.02Å; W1157-R1188 HydrophobicContact CZ2-CG 3.53Å; W1157-R1188 PolarHBondContact NE1-O 2.97Å; W1157-V1191 HydrophobicContact CB-CG1 4.39Å; W1157-V1191 HydrophobicContact CB-CG2 3.94Å; W1157-V1191 HydrophobicContact CD2-CG1 3.94Å; W1157-V1191 HydrophobicContact CG-CB 4.4Å; W1157-V1191 HydrophobicContact CG-CG1 3.65Å; W1157-V1191 HydrophobicContact CG-CG2 3.87Å; W1157-V1191 HydrophobicContact CZ2-CG1 4.43Å; W1157-I1248 HydrophobicContact CE3-CG2 4.13Å |
| 1158 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -59 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1154 L1155 S1156 A1162 Y1241 L1245 F1249 F1309 | L1154-A1158 WeakPolarHBondContact O-CB 3.41Å; L1154-A1158 PolarHBondContact O-N 3.07Å; L1155-A1158 WeakPolarHBondContact O-CB 3.16Å; L1155-A1158 PolarHBondContact O-N 3.37Å; S1156-A1158 VanDerWaalsContact C-N 3.33Å; S1156-A1158 PolarHBondContact O-N 2.76Å; A1158-A1162 WeakPolarHBondContact O-CB 3.14Å; A1158-A1162 PolarHBondContact O-N 2.79Å; A1158-Y1241 PolarHBondContact O-OH 2.92Å; A1158-L1245 HydrophobicContact CB-CD1 3.91Å; A1158-L1245 HydrophobicContact CB-CD2 3.47Å; A1158-L1245 VanDerWaalsContact CB-CD2 3.47Å; A1158-L1245 HydrophobicContact CB-CG 4.36Å; A1158-F1249 HydrophobicContact CB-CZ 4.04Å; A1158-F1309 HydrophobicContact CB-CB 4.24Å; A1158-F1309 HydrophobicContact CB-CD1 3.35Å; A1158-F1309 HydrophobicContact CB-CD2 4.14Å; A1158-F1309 HydrophobicContact CB-CE1 3.68Å; A1158-F1309 HydrophobicContact CB-CE2 4.42Å; A1158-F1309 HydrophobicContact CB-CG 3.63Å; A1158-F1309 HydrophobicContact CB-CZ 4.22Å |
| 1159 | E | 97.7 | Very high | 94.4 | Very high | 33 Ų | 33 | 9.5 Ų | 9.5 | 15% | 0.154 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 175.4 | -170.6 | -122.1 | -142.4 | 0 | 0 | 112.8 | L1155 S1156 W1157 I1161 A1162 D1163 M1306 F1309 N1310 | L1155-E1159 PolarHBondContact O-N 2.73Å; S1156-E1159 WeakPolarHBondContact O-CB 3.46Å; S1156-E1159 PolarHBondContact O-N 2.75Å; S1156-E1159 VanDerWaalsContact O-N 3.14Å; W1157-E1159 VanDerWaalsContact C-N 3.33Å; W1157-E1159 PolarHBondContact O-N 3.25Å; E1159-I1161 PolarHBondContact O-N 3.45Å; E1159-A1162 CarbonylContact O-C 3.58Å; E1159-A1162 WeakPolarHBondContact O-CA 3.47Å; E1159-A1162 WeakPolarHBondContact O-CB 3.05Å; E1159-A1162 PolarHBondContact O-N 3.41Å; E1159-A1162 VanDerWaalsContact O-N 3.08Å; E1159-D1163 PolarHBondContact O-N 3.22Å; E1159-M1306 HydrophobicContact CG-CG 4.25Å; E1159-F1309 HydrophobicContact CB-CB 3.74Å; E1159-F1309 HydrophobicContact CG-CB 4.41Å; E1159-N1310 HydrophobicContact CG-CB 3.93Å; E1159-N1310 WeakPolarHBondContact OE1-CB 3.3Å; E1159-N1310 PolarHBondContact OE1-ND2 3.44Å |
| 1160 | Q | 97 | Very high | 94.5 | Very high | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | -179 | -69.1 | 174.7 | 43.6 | 0 | 0 | 112.8 | H1112 S1156 W1157 A1162 D1163 G1164 E1189 H1190 V1191 | H1112-Q1160 HydrophobicContact CB-CB 4.48Å; H1112-Q1160 WeakPolarHBondContact CB-O 3.28Å; H1112-Q1160 VanDerWaalsContact CE1-CD 3.41Å; H1112-Q1160 WeakPolarHBondContact CE1-CG 3.31Å; H1112-Q1160 PolarHBondContact CE1-OE1 2.75Å; H1112-Q1160 PolarHBondContact ND1-OE1 3.47Å; H1112-Q1160 WeakPolarHBondContact NE2-CG 3.21Å; S1156-Q1160 VanDerWaalsContact O-CB 3.32Å; S1156-Q1160 WeakPolarHBondContact O-CB 3.42Å; S1156-Q1160 WeakPolarHBondContact O-CG 3.3Å; S1156-Q1160 PolarHBondContact O-N 3.23Å; S1156-Q1160 PolarHBondContact O-NE2 2.92Å; S1156-Q1160 PolarHBondContact OG-NE2 2.9Å; W1157-Q1160 PolarHBondContact O-N 2.92Å; Q1160-A1162 VanDerWaalsContact C-N 3.33Å; Q1160-D1163 PolarHBondContact O-N 3.13Å; Q1160-G1164 PolarHBondContact O-N 3.18Å; Q1160-E1189 VanDerWaalsContact CD-O 3.3Å; Q1160-E1189 PolarHBondContact NE2-O 2.82Å; Q1160-E1189 PolarHBondContact OE1-O 3.12Å; Q1160-E1189 VanDerWaalsContact OE1-O 3.13Å; Q1160-H1190 VanDerWaalsContact OE1-CA 3.26Å; Q1160-V1191 HydrophobicContact CB-CG2 3.64Å; Q1160-V1191 HydrophobicContact CG-CG2 4.45Å |
| 1161 | I | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.7 | -38.6 | 172.2 | -64.1 | 160.5 | 0 | 0 | 0 | 109.1 | L1138 W1157 E1159 G1164 M1165 L1178 V1183 V1191 I1193 Y1241 T1244 I1248 | L1138-I1161 HydrophobicContact CD2-CD1 4.08Å; W1157-I1161 HydrophobicContact CB-CD1 4.45Å; W1157-I1161 VanDerWaalsContact O-CB 3.29Å; W1157-I1161 WeakPolarHBondContact O-CB 3.48Å; W1157-I1161 VanDerWaalsContact O-CD1 3.28Å; W1157-I1161 WeakPolarHBondContact O-CD1 3.08Å; W1157-I1161 WeakPolarHBondContact O-CG1 3.41Å; W1157-I1161 PolarHBondContact O-N 3.19Å; E1159-I1161 PolarHBondContact O-N 3.45Å; I1161-G1164 PolarHBondContact O-N 2.75Å; I1161-M1165 HydrophobicContact CG2-CG 4.27Å; I1161-M1165 VanDerWaalsContact O-CB 3.26Å; I1161-M1165 WeakPolarHBondContact O-CB 3.48Å; I1161-M1165 VanDerWaalsContact O-CG 3.23Å; I1161-M1165 WeakPolarHBondContact O-CG 3.25Å; I1161-M1165 PolarHBondContact O-N 2.68Å; I1161-L1178 HydrophobicContact CG2-CD1 4.15Å; I1161-L1178 HydrophobicContact CG2-CD2 4.24Å; I1161-V1183 HydrophobicContact CD1-CG1 4.09Å; I1161-V1183 HydrophobicContact CD1-CG2 3.98Å; I1161-V1183 HydrophobicContact CG1-CG1 4.07Å; I1161-V1183 HydrophobicContact CG1-CG2 4.1Å; I1161-V1191 HydrophobicContact CG1-CG2 4.01Å; I1161-I1193 HydrophobicContact CG2-CD1 4.21Å; I1161-I1193 HydrophobicContact CG2-CG1 4.28Å; I1161-Y1241 HydrophobicContact CB-CD2 4.48Å; I1161-Y1241 HydrophobicContact CB-CE2 4.12Å; I1161-Y1241 HydrophobicContact CG2-CD2 3.74Å; I1161-Y1241 HydrophobicContact CG2-CE2 3.88Å; I1161-T1244 HydrophobicContact CD1-CG2 4.26Å; I1161-I1248 HydrophobicContact CD1-CD1 3.58Å |
| 1162 | A | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.3 | -35.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1158 E1159 Q1160 S1166 Y1241 L1305 M1306 | A1158-A1162 WeakPolarHBondContact O-CB 3.14Å; A1158-A1162 PolarHBondContact O-N 2.79Å; E1159-A1162 CarbonylContact O-C 3.58Å; E1159-A1162 WeakPolarHBondContact O-CA 3.47Å; E1159-A1162 WeakPolarHBondContact O-CB 3.05Å; E1159-A1162 PolarHBondContact O-N 3.41Å; E1159-A1162 VanDerWaalsContact O-N 3.08Å; Q1160-A1162 VanDerWaalsContact C-N 3.33Å; A1162-S1166 WeakPolarHBondContact O-CB 3.1Å; A1162-S1166 PolarHBondContact O-N 2.9Å; A1162-Y1241 HydrophobicContact CB-CE2 3.87Å; A1162-L1305 HydrophobicContact CB-CB 3.91Å; A1162-M1306 HydrophobicContact CB-CB 3.92Å |
| 1163 | D | 97 | Very high | 94.4 | Very high | 38 Ų | 38 | 18.9 Ų | 18.9 | 20% | 0.203 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 172.9 | -174 | 35.9 | 0 | 0 | 0 | 110.8 | H1110 H1112 E1159 Q1160 M1165 S1166 Y1167 M1306 | H1110-D1163 IonicContact CE1-OD1 3.04Å; H1110-D1163 IonicContact CE1-OD2 2.76Å; H1110-D1163 PolarHBondContact CE1-OD2 2.61Å; H1110-D1163 IonicContact NE2-OD1 2.67Å; H1110-D1163 IonicContact NE2-OD2 3.32Å; H1112-D1163 IonicContact CD2-OD2 3.38Å; E1159-D1163 PolarHBondContact O-N 3.22Å; Q1160-D1163 PolarHBondContact O-N 3.13Å; D1163-M1165 PolarHBondContact O-N 2.8Å; D1163-S1166 WeakPolarHBondContact O-CB 3.14Å; D1163-S1166 PolarHBondContact O-N 3.48Å; D1163-Y1167 PolarHBondContact O-N 2.87Å; D1163-M1306 HydrophobicContact CB-CG 4.03Å; D1163-M1306 HydrophobicContact CB-SD 4.04Å |
| 1164 | G | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.7 | -41.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1110 Q1160 I1161 Y1167 L1168 | H1110-G1164 WeakPolarHBondContact ND1-CA 3.37Å; Q1160-G1164 PolarHBondContact O-N 3.18Å; I1161-G1164 PolarHBondContact O-N 2.75Å; G1164-Y1167 WeakPolarHBondContact O-CB 3.37Å; G1164-Y1167 PolarHBondContact O-N 3.49Å; G1164-L1168 WeakPolarHBondContact O-CG 3.45Å; G1164-L1168 PolarHBondContact O-N 3.23Å; G1164-L1168 VanDerWaalsContact O-N 3.12Å |
| 1165 | M | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.9 | -31.1 | 175.6 | -72.9 | -57.6 | -48.4 | 0 | 0 | 113.1 | I1161 D1163 Y1167 L1168 E1169 H1175 L1178 I1193 D1237 F1302 | I1161-M1165 HydrophobicContact CG2-CG 4.27Å; I1161-M1165 VanDerWaalsContact O-CB 3.26Å; I1161-M1165 WeakPolarHBondContact O-CB 3.48Å; I1161-M1165 VanDerWaalsContact O-CG 3.23Å; I1161-M1165 WeakPolarHBondContact O-CG 3.25Å; I1161-M1165 PolarHBondContact O-N 2.68Å; D1163-M1165 PolarHBondContact O-N 2.8Å; M1165-Y1167 VanDerWaalsContact C-N 3.31Å; M1165-L1168 HydrophobicContact CE-CB 4.43Å; M1165-L1168 HydrophobicContact CE-CD1 4.28Å; M1165-L1168 PolarHBondContact O-N 2.65Å; M1165-L1168 VanDerWaalsContact O-N 3.15Å; M1165-L1168 HydrophobicContact SD-CD1 3.73Å; M1165-E1169 WeakPolarHBondContact O-CB 3.45Å; M1165-E1169 PolarHBondContact O-N 3.05Å; M1165-H1175 HydrophobicContact CE-CB 3.97Å; M1165-H1175 HydrophobicContact SD-CB 4.09Å; M1165-L1178 HydrophobicContact CE-CD2 4.43Å; M1165-L1178 HydrophobicContact CG-CD1 4.42Å; M1165-L1178 HydrophobicContact CG-CD2 3.65Å; M1165-L1178 HydrophobicContact SD-CD1 3.99Å; M1165-L1178 HydrophobicContact SD-CD2 3.74Å; M1165-L1178 HydrophobicContact SD-CG 4.38Å; M1165-I1193 HydrophobicContact CG-CD1 3.79Å; M1165-I1193 HydrophobicContact SD-CD1 3.92Å; M1165-D1237 HydrophobicContact CE-CB 3.62Å; M1165-F1302 HydrophobicContact CB-CB 4.3Å; M1165-F1302 HydrophobicContact CB-CD1 3.32Å; M1165-F1302 HydrophobicContact CB-CD2 3.81Å; M1165-F1302 HydrophobicContact CB-CE1 3.37Å; M1165-F1302 HydrophobicContact CB-CE2 3.84Å; M1165-F1302 HydrophobicContact CB-CG 3.54Å; M1165-F1302 HydrophobicContact CB-CZ 3.62Å; M1165-F1302 HydrophobicContact CE-CD2 4.49Å; M1165-F1302 HydrophobicContact CE-CE1 4.49Å; M1165-F1302 HydrophobicContact CE-CE2 3.69Å; M1165-F1302 HydrophobicContact CE-CZ 3.68Å; M1165-F1302 HydrophobicContact CG-CD1 4.2Å; M1165-F1302 HydrophobicContact CG-CE1 3.76Å; M1165-F1302 HydrophobicContact CG-CE2 4.48Å; M1165-F1302 HydrophobicContact CG-CZ 3.91Å |
| 1166 | S | 96.6 | Very high | 94.3 | Very high | 22 Ų | 22 | 19.2 Ų | 19.2 | 15% | 0.154 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.6 | -40 | 171.2 | 175.8 | 0 | 0 | 0 | 0 | 110.7 | A1162 D1163 E1169 M1170 | A1162-S1166 WeakPolarHBondContact O-CB 3.1Å; A1162-S1166 PolarHBondContact O-N 2.9Å; D1163-S1166 WeakPolarHBondContact O-CB 3.14Å; D1163-S1166 PolarHBondContact O-N 3.48Å; S1166-E1169 PolarHBondContact O-N 3.35Å; S1166-M1170 WeakPolarHBondContact O-CB 3.23Å; S1166-M1170 PolarHBondContact O-N 3.1Å |
| 1167 | Y | 92.9 | Very high | 94.2 | Very high | 22 Ų | 22 | 17.9 Ų | 17.9 | 9% | 0.086 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 169.7 | 175.9 | -86 | 0 | 0 | 0 | 112.5 | V1108 M1109 H1110 D1163 G1164 M1165 M1170 R1171 | V1108-Y1167 HydrophobicContact CG1-CE1 4.14Å; M1109-Y1167 PolarHBondContact N-OH 2.89Å; M1109-Y1167 WeakPolarHBondContact O-CE2 3.45Å; M1109-Y1167 PolarHBondContact O-OH 2.74Å; H1110-Y1167 HydrophobicContact CB-CD1 3.71Å; H1110-Y1167 HydrophobicContact CB-CD2 3.9Å; H1110-Y1167 HydrophobicContact CB-CE1 4.03Å; H1110-Y1167 HydrophobicContact CB-CE2 4.18Å; H1110-Y1167 HydrophobicContact CB-CG 3.65Å; H1110-Y1167 AromaticContact CD2-CD2 3.6Å; H1110-Y1167 AromaticContact CD2-CG 3.82Å; H1110-Y1167 AromaticContact CG-CD2 3.9Å; H1110-Y1167 AromaticContact CG-CG 3.7Å; D1163-Y1167 PolarHBondContact O-N 2.87Å; G1164-Y1167 WeakPolarHBondContact O-CB 3.37Å; G1164-Y1167 PolarHBondContact O-N 3.49Å; M1165-Y1167 VanDerWaalsContact C-N 3.31Å; Y1167-M1170 HydrophobicContact CD2-CE 3.7Å; Y1167-M1170 HydrophobicContact CE2-CE 4.1Å; Y1167-M1170 HydrophobicContact CG-CE 4.45Å; Y1167-M1170 PolarHBondContact O-N 3.11Å; Y1167-R1171 HydrophobicContact CD1-CG 4.03Å; Y1167-R1171 HydrophobicContact CE1-CG 3.54Å; Y1167-R1171 HydrophobicContact CE2-CG 4.4Å; Y1167-R1171 WeakPolarHBondContact O-CB 3.24Å; Y1167-R1171 WeakPolarHBondContact O-CG 3.34Å; Y1167-R1171 PolarHBondContact O-N 2.86Å; Y1167-R1171 PolarHBondContact OH-NE 3.35Å; Y1167-R1171 PolarHBondContact OH-NH2 2.78Å; Y1167-R1171 VanDerWaalsContact OH-NH2 3.08Å |
| 1168 | L | 93 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | 178.1 | -65.5 | 175.4 | 0 | 0 | 0 | 112.4 | V1108 G1164 M1165 R1171 G1172 I1173 F1196 | V1108-L1168 HydrophobicContact CG1-CD2 4.16Å; V1108-L1168 HydrophobicContact CG2-CD2 3.56Å; G1164-L1168 WeakPolarHBondContact O-CG 3.45Å; G1164-L1168 PolarHBondContact O-N 3.23Å; G1164-L1168 VanDerWaalsContact O-N 3.12Å; M1165-L1168 HydrophobicContact CE-CB 4.43Å; M1165-L1168 HydrophobicContact CE-CD1 4.28Å; M1165-L1168 PolarHBondContact O-N 2.65Å; M1165-L1168 VanDerWaalsContact O-N 3.15Å; M1165-L1168 HydrophobicContact SD-CD1 3.73Å; L1168-R1171 CarbonylContact O-C 3.59Å; L1168-R1171 PolarHBondContact O-N 3.34Å; L1168-G1172 PolarHBondContact O-N 2.85Å; L1168-I1173 CarbonylContact C-O 3.55Å; L1168-I1173 HydrophobicContact CB-CB 4.32Å; L1168-I1173 HydrophobicContact CD2-CB 4.05Å; L1168-I1173 HydrophobicContact CD2-CD1 3.99Å; L1168-I1173 HydrophobicContact CD2-CG2 4.08Å; L1168-I1173 PolarHBondContact O-N 2.98Å; L1168-F1196 HydrophobicContact CD1-CE1 3.84Å; L1168-F1196 HydrophobicContact CD1-CZ 4.39Å; L1168-F1196 HydrophobicContact CD2-CE1 4Å |
| 1169 | E | 92.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 17.8 Ų | 17.8 | 21% | 0.206 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 170.4 | -179.1 | 165.7 | -133.7 | 0 | 0 | 110.6 | M1165 S1166 R1171 G1172 H1234 F1302 | M1165-E1169 WeakPolarHBondContact O-CB 3.45Å; M1165-E1169 PolarHBondContact O-N 3.05Å; S1166-E1169 PolarHBondContact O-N 3.35Å; E1169-R1171 VanDerWaalsContact C-N 3.32Å; E1169-R1171 PolarHBondContact O-N 2.79Å; E1169-G1172 PolarHBondContact O-N 3.12Å; E1169-H1234 HydrophobicContact CG-CB 4.1Å; E1169-F1302 HydrophobicContact CB-CD2 4.2Å; E1169-F1302 WeakPolarHBondContact OE2-CB 3.42Å; E1169-F1302 PolarHBondContact OE2-N 3.12Å |
| 1170 | M | 88.2 | Confident | 94 | Very high | 139 Ų | 139 | 16.2 Ų | 16.2 | 69% | 0.685 | 8% | 0.078 | S | C | * | . | H | α-helix | trans | -59 | -38.6 | 173.6 | 179.8 | -175.9 | 64.2 | 0 | 0 | 113 | S1166 Y1167 G1172 | S1166-M1170 WeakPolarHBondContact O-CB 3.23Å; S1166-M1170 PolarHBondContact O-N 3.1Å; Y1167-M1170 HydrophobicContact CD2-CE 3.7Å; Y1167-M1170 HydrophobicContact CE2-CE 4.1Å; Y1167-M1170 HydrophobicContact CG-CE 4.45Å; Y1167-M1170 PolarHBondContact O-N 3.11Å; M1170-G1172 VanDerWaalsContact C-N 3.3Å; M1170-G1172 PolarHBondContact O-N 2.67Å |
| 1171 | R | 86.1 | Confident | 93.8 | Very high | 61 Ų | 61 | 18.9 Ų | 18.9 | 23% | 0.23 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -73.7 | -17.3 | 175.9 | -73.4 | -61.1 | -149.4 | -177.6 | 11.3 | 113.3 | M988 R995 S1107 Y1167 L1168 E1169 I1173 | M988-R1171 PolarHBondContact SD-NH1 2.78Å; R995-R1171 WeakPolarHBondContact CD-O 3.47Å; R995-R1171 PolarHBondContact NE-O 2.73Å; S1107-R1171 PolarHBondContact O-NH2 3.21Å; Y1167-R1171 HydrophobicContact CD1-CG 4.03Å; Y1167-R1171 HydrophobicContact CE1-CG 3.54Å; Y1167-R1171 HydrophobicContact CE2-CG 4.4Å; Y1167-R1171 WeakPolarHBondContact O-CB 3.24Å; Y1167-R1171 WeakPolarHBondContact O-CG 3.34Å; Y1167-R1171 PolarHBondContact O-N 2.86Å; Y1167-R1171 PolarHBondContact OH-NE 3.35Å; Y1167-R1171 PolarHBondContact OH-NH2 2.78Å; Y1167-R1171 VanDerWaalsContact OH-NH2 3.08Å; L1168-R1171 CarbonylContact O-C 3.59Å; L1168-R1171 PolarHBondContact O-N 3.34Å; E1169-R1171 VanDerWaalsContact C-N 3.32Å; E1169-R1171 PolarHBondContact O-N 2.79Å; R1171-I1173 HydrophobicContact CB-CD1 3.8Å; R1171-I1173 HydrophobicContact CB-CG1 4Å; R1171-I1173 HydrophobicContact CG-CD1 4.44Å |
| 1172 | G | 88.9 | Confident | 93.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 36.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1168 E1169 M1170 L1202 | L1168-G1172 PolarHBondContact O-N 2.85Å; E1169-G1172 PolarHBondContact O-N 3.12Å; M1170-G1172 VanDerWaalsContact C-N 3.3Å; M1170-G1172 PolarHBondContact O-N 2.67Å; G1172-L1202 PolarHBondContact O-N 2.84Å |
| 1173 | I | 91.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.6 | 175 | -60.4 | 167.7 | 0 | 0 | 0 | 108 | I1104 S1107 V1108 L1168 R1171 A1199 M1201 H1234 | I1104-I1173 HydrophobicContact CG2-CD1 4.41Å; I1104-I1173 HydrophobicContact CG2-CG2 3.73Å; S1107-I1173 WeakPolarHBondContact OG-CD1 3.42Å; V1108-I1173 HydrophobicContact CG2-CD1 3.68Å; L1168-I1173 CarbonylContact C-O 3.55Å; L1168-I1173 HydrophobicContact CB-CB 4.32Å; L1168-I1173 HydrophobicContact CD2-CB 4.05Å; L1168-I1173 HydrophobicContact CD2-CD1 3.99Å; L1168-I1173 HydrophobicContact CD2-CG2 4.08Å; L1168-I1173 PolarHBondContact O-N 2.98Å; R1171-I1173 HydrophobicContact CB-CD1 3.8Å; R1171-I1173 HydrophobicContact CB-CG1 4Å; R1171-I1173 HydrophobicContact CG-CD1 4.44Å; I1173-A1199 HydrophobicContact CG2-CB 4.41Å; I1173-M1201 HydrophobicContact CD1-CE 4.1Å; I1173-M1201 HydrophobicContact CG1-CE 4.04Å; I1173-H1234 PolarHBondContact O-CE1 2.95Å; I1173-H1234 VanDerWaalsContact O-CE1 3.28Å; I1173-H1234 PolarHBondContact O-ND1 3.36Å |
| 1174 | I | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.5 | 172.9 | -54.1 | 164.1 | 0 | 0 | 0 | 107.2 | R1176 A1199 K1200 L1202 V1210 D1237 | I1174-R1176 HydrophobicContact CB-CG 4.25Å; I1174-R1176 HydrophobicContact CG2-CG 3.65Å; I1174-A1199 CarbonylContact O-C 3.45Å; I1174-A1199 WeakPolarHBondContact O-CA 3.05Å; I1174-A1199 WeakPolarHBondContact O-CB 3.38Å; I1174-K1200 PolarHBondContact N-O 2.79Å; I1174-K1200 PolarHBondContact O-N 3.37Å; I1174-L1202 HydrophobicContact CD1-CD1 4.02Å; I1174-L1202 HydrophobicContact CD1-CD2 3.86Å; I1174-L1202 HydrophobicContact CD1-CG 3.88Å; I1174-L1202 HydrophobicContact CG1-CD1 4.12Å; I1174-L1202 HydrophobicContact CG1-CG 4.3Å; I1174-V1210 HydrophobicContact CD1-CG2 4.22Å; I1174-D1237 WeakPolarHBondContact CA-OD2 3.43Å; I1174-D1237 WeakPolarHBondContact CG2-OD1 3.22Å; I1174-D1237 VanDerWaalsContact CG2-OD2 3.23Å; I1174-D1237 WeakPolarHBondContact CG2-OD2 3.29Å |
| 1175 | H | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -71.7 | -37.5 | -175 | -159.9 | -88.6 | 0 | 0 | 0 | 112.6 | M1165 D1177 L1178 I1193 T1194 F1196 A1199 D1237 | M1165-H1175 HydrophobicContact CE-CB 3.97Å; M1165-H1175 HydrophobicContact SD-CB 4.09Å; H1175-D1177 PolarHBondContact CE1-O 2.8Å; H1175-D1177 VanDerWaalsContact ND1-C 3.26Å; H1175-D1177 PolarHBondContact ND1-O 2.87Å; H1175-D1177 PolarHBondContact O-N 2.83Å; H1175-L1178 HydrophobicContact CB-CB 4.44Å; H1175-L1178 PolarHBondContact ND1-N 2.93Å; H1175-I1193 VanDerWaalsContact NE2-CG2 3.28Å; H1175-I1193 WeakPolarHBondContact NE2-CG2 3.37Å; H1175-T1194 PolarHBondContact CE1-O 3.38Å; H1175-T1194 PolarHBondContact NE2-O 3.01Å; H1175-F1196 AromaticContact CD2-CD1 3.7Å; H1175-F1196 AromaticContact CD2-CE1 3.58Å; H1175-F1196 AromaticContact NE2-CD1 3.72Å; H1175-F1196 AromaticContact NE2-CE1 3.75Å; H1175-A1199 VanDerWaalsContact O-CA 3.31Å; H1175-A1199 WeakPolarHBondContact O-CA 3.12Å; H1175-A1199 PolarHBondContact O-N 2.93Å; H1175-D1237 VanDerWaalsContact N-CG 3.3Å; H1175-D1237 PolarHBondContact N-OD1 2.97Å; H1175-D1237 PolarHBondContact N-OD2 3.08Å | ||
| 1176 | R | 94.2 | Very high | 92.7 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 3% | 0.03 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 61 | -15.3 | 178.5 | -57.7 | -170.8 | 48.1 | -115.1 | -6.8 | 117.1 | I1174 L1198 Y1232 D1237 | I1174-R1176 HydrophobicContact CB-CG 4.25Å; I1174-R1176 HydrophobicContact CG2-CG 3.65Å; R1176-L1198 HydrophobicContact CB-CB 4.09Å; R1176-L1198 WeakPolarHBondContact CB-O 3.29Å; R1176-L1198 VanDerWaalsContact CD-O 3.24Å; R1176-L1198 WeakPolarHBondContact CD-O 2.92Å; R1176-L1198 PolarHBondContact NH1-O 3.37Å; R1176-Y1232 HydrophobicContact CB-CD1 3.75Å; R1176-Y1232 HydrophobicContact CB-CE1 3.71Å; R1176-Y1232 HydrophobicContact CG-CD1 3.44Å; R1176-Y1232 VanDerWaalsContact CG-CD1 3.44Å; R1176-Y1232 HydrophobicContact CG-CE1 3.91Å; R1176-Y1232 HydrophobicContact CG-CG 3.85Å; R1176-Y1232 VanDerWaalsContact NE-CD2 3.25Å; R1176-Y1232 VanDerWaalsContact NE-CE2 3.35Å; R1176-Y1232 PolarHBondContact NH2-OH 2.93Å; R1176-Y1232 VanDerWaalsContact NH2-OH 3.15Å; R1176-D1237 PolarHBondContact N-OD1 3.18Å |
| 1177 | D | 93.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | trans | -140 | 53.7 | 172.6 | -164.6 | 14.4 | 0 | 0 | 0 | 111.9 | H1175 A1179 R1181 N1182 L1198 P1218 | H1175-D1177 PolarHBondContact CE1-O 2.8Å; H1175-D1177 VanDerWaalsContact ND1-C 3.26Å; H1175-D1177 PolarHBondContact ND1-O 2.87Å; H1175-D1177 PolarHBondContact O-N 2.83Å; D1177-A1179 PolarHBondContact O-N 2.91Å; D1177-R1181 IonicContact OD1-CZ 3.4Å; D1177-R1181 IonicContact OD1-NH1 3.9Å; D1177-R1181 IonicContact OD1-NH2 3.67Å; D1177-R1181 PolarHBondContact OD1-NH2 3.06Å; D1177-R1181 IonicContact OD2-CZ 3.46Å; D1177-R1181 IonicContact OD2-NH2 3.63Å; D1177-R1181 PolarHBondContact OD2-NH2 2.85Å; D1177-N1182 PolarHBondContact O-ND2 3.08Å; D1177-N1182 PolarHBondContact OD2-ND2 2.81Å; D1177-L1198 HydrophobicContact CB-CB 4.05Å; D1177-L1198 HydrophobicContact CB-CD1 3.78Å; D1177-L1198 HydrophobicContact CB-CG 4.39Å; D1177-P1218 HydrophobicContact CB-CG 4.16Å; D1177-P1218 WeakPolarHBondContact OD1-CB 3.49Å; D1177-P1218 WeakPolarHBondContact OD1-CG 3.45Å | ||
| 1178 | L | 96.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -77.2 | 118.4 | 170.9 | -171.7 | 66.7 | 0 | 0 | 0 | 109.1 | I1161 M1165 H1175 V1183 I1193 S1240 Y1241 T1244 | I1161-L1178 HydrophobicContact CG2-CD1 4.15Å; I1161-L1178 HydrophobicContact CG2-CD2 4.24Å; M1165-L1178 HydrophobicContact CE-CD2 4.43Å; M1165-L1178 HydrophobicContact CG-CD1 4.42Å; M1165-L1178 HydrophobicContact CG-CD2 3.65Å; M1165-L1178 HydrophobicContact SD-CD1 3.99Å; M1165-L1178 HydrophobicContact SD-CD2 3.74Å; M1165-L1178 HydrophobicContact SD-CG 4.38Å; H1175-L1178 HydrophobicContact CB-CB 4.44Å; H1175-L1178 PolarHBondContact ND1-N 2.93Å; L1178-V1183 HydrophobicContact CD1-CG2 4.31Å; L1178-I1193 HydrophobicContact CD1-CG1 4.34Å; L1178-I1193 HydrophobicContact CD1-CG2 3.98Å; L1178-S1240 WeakPolarHBondContact O-CB 3.34Å; L1178-Y1241 HydrophobicContact CD2-CD2 4.19Å; L1178-Y1241 HydrophobicContact CD2-CG 4.44Å; L1178-T1244 PolarHBondContact O-OG1 2.93Å; L1178-T1244 VanDerWaalsContact O-OG1 3.04Å | ||
| 1179 | A | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -153.9 | 158.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | D1177 R1181 N1182 V1183 W1221 T1244 E1247 | D1177-A1179 PolarHBondContact O-N 2.91Å; A1179-R1181 HydrophobicContact CB-CG 3.8Å; A1179-R1181 PolarHBondContact O-N 3.06Å; A1179-N1182 HydrophobicContact CB-CB 4.5Å; A1179-N1182 CarbonylContact O-C 3.38Å; A1179-N1182 WeakPolarHBondContact O-CA 3.49Å; A1179-N1182 PolarHBondContact O-N 3.09Å; A1179-V1183 PolarHBondContact O-N 3.01Å; A1179-W1221 HydrophobicContact CB-CD2 4.36Å; A1179-W1221 HydrophobicContact CB-CG 4.32Å; A1179-W1221 HydrophobicContact CB-CZ2 4.41Å; A1179-W1221 VanDerWaalsContact CB-NE1 3.31Å; A1179-T1244 WeakPolarHBondContact CA-OG1 2.97Å; A1179-T1244 PolarHBondContact N-OG1 3.43Å; A1179-E1247 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 1180 | A | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -61.8 | -29.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1138 D1139 N1182 V1183 E1247 I1248 | L1138-A1180 CarbonylContact C-O 3.47Å; L1138-A1180 WeakPolarHBondContact CA-O 3.14Å; L1138-A1180 VanDerWaalsContact CB-O 3.24Å; L1138-A1180 WeakPolarHBondContact CB-O 3.47Å; L1138-A1180 HydrophobicContact CG-CB 4.39Å; L1138-A1180 PolarHBondContact N-O 2.9Å; D1139-A1180 HydrophobicContact CB-CB 3.87Å; D1139-A1180 VanDerWaalsContact N-C 3.33Å; D1139-A1180 PolarHBondContact N-O 2.88Å; A1180-N1182 PolarHBondContact O-N 3.47Å; A1180-V1183 PolarHBondContact O-N 2.81Å; A1180-E1247 HydrophobicContact CB-CB 3.59Å; A1180-E1247 HydrophobicContact CB-CG 4.3Å; A1180-E1247 PolarHBondContact N-OE2 3.31Å; A1180-I1248 HydrophobicContact CB-CG1 4.08Å |
| 1181 | R | 93.2 | Very high | 91.4 | Very high | 60 Ų | 60 | 15.8 Ų | 15.8 | 23% | 0.226 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -66.6 | -20.1 | 172.8 | 59.4 | 165.1 | -158 | -70.5 | -1.7 | 113.9 | A1137 D1139 D1177 A1179 W1221 | A1137-R1181 WeakPolarHBondContact CB-O 3.3Å; D1139-R1181 HydrophobicContact CB-CB 4.08Å; D1139-R1181 VanDerWaalsContact OD1-CA 3.29Å; D1139-R1181 WeakPolarHBondContact OD1-CA 3.43Å; D1139-R1181 VanDerWaalsContact OD1-CB 3.31Å; D1139-R1181 WeakPolarHBondContact OD1-CB 3.1Å; D1177-R1181 IonicContact OD1-CZ 3.4Å; D1177-R1181 IonicContact OD1-NH1 3.9Å; D1177-R1181 IonicContact OD1-NH2 3.67Å; D1177-R1181 PolarHBondContact OD1-NH2 3.06Å; D1177-R1181 IonicContact OD2-CZ 3.46Å; D1177-R1181 IonicContact OD2-NH2 3.63Å; D1177-R1181 PolarHBondContact OD2-NH2 2.85Å; A1179-R1181 HydrophobicContact CB-CG 3.8Å; A1179-R1181 PolarHBondContact O-N 3.06Å; R1181-W1221 VanDerWaalsContact NH1-CH2 3.3Å; R1181-W1221 VanDerWaalsContact NH1-CZ2 3.27Å |
| 1182 | N | 94.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 13 Ų | 13 | 3% | 0.027 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -108.7 | 22.4 | -177.4 | -66.7 | 2.1 | 0 | 0 | 0 | 111.3 | D1177 A1179 A1180 T1194 D1195 | D1177-N1182 PolarHBondContact O-ND2 3.08Å; D1177-N1182 PolarHBondContact OD2-ND2 2.81Å; A1179-N1182 HydrophobicContact CB-CB 4.5Å; A1179-N1182 CarbonylContact O-C 3.38Å; A1179-N1182 WeakPolarHBondContact O-CA 3.49Å; A1179-N1182 PolarHBondContact O-N 3.09Å; A1180-N1182 PolarHBondContact O-N 3.47Å; N1182-T1194 WeakPolarHBondContact O-CG2 3.03Å; N1182-T1194 PolarHBondContact O-N 2.88Å; N1182-T1194 VanDerWaalsContact O-O 3.07Å; N1182-D1195 HydrophobicContact CB-CB 4.13Å |
| 1183 | V | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.6 | 164.9 | 177.1 | 0 | 0 | 0 | 0 | 106.1 | A1137 L1138 I1161 L1178 A1179 A1180 V1191 I1193 | A1137-V1183 CarbonylContact C-O 3.46Å; L1138-V1183 HydrophobicContact CB-CB 4Å; L1138-V1183 HydrophobicContact CB-CG1 4.19Å; L1138-V1183 WeakPolarHBondContact CB-O 3.26Å; L1138-V1183 HydrophobicContact CD2-CB 3.85Å; L1138-V1183 HydrophobicContact CD2-CG1 3.65Å; L1138-V1183 PolarHBondContact N-O 3.27Å; I1161-V1183 HydrophobicContact CD1-CG1 4.09Å; I1161-V1183 HydrophobicContact CD1-CG2 3.98Å; I1161-V1183 HydrophobicContact CG1-CG1 4.07Å; I1161-V1183 HydrophobicContact CG1-CG2 4.1Å; L1178-V1183 HydrophobicContact CD1-CG2 4.31Å; A1179-V1183 PolarHBondContact O-N 3.01Å; A1180-V1183 PolarHBondContact O-N 2.81Å; V1183-V1191 HydrophobicContact CG1-CB 3.54Å; V1183-V1191 HydrophobicContact CG1-CG1 3.8Å; V1183-V1191 HydrophobicContact CG1-CG2 4.34Å; V1183-I1193 HydrophobicContact CG2-CG1 4.37Å |
| 1184 | L | 93.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 13.9 Ų | 13.9 | 13% | 0.126 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 154.6 | 176.8 | -52 | -172.7 | 0 | 0 | 0 | 111.1 | L1114 V1133 G1136 A1137 V1191 Q1192 T1194 | L1114-L1184 HydrophobicContact CD1-CD1 4.4Å; L1114-L1184 HydrophobicContact CD2-CD1 3.67Å; V1133-L1184 HydrophobicContact CB-CB 3.89Å; V1133-L1184 HydrophobicContact CB-CD1 3.84Å; V1133-L1184 HydrophobicContact CG1-CB 3.58Å; V1133-L1184 HydrophobicContact CG1-CD1 4.45Å; V1133-L1184 HydrophobicContact CG2-CB 4.11Å; V1133-L1184 HydrophobicContact CG2-CD1 3.56Å; V1133-L1184 HydrophobicContact CG2-CG 4.48Å; G1136-L1184 CarbonylContact O-C 3.45Å; G1136-L1184 VanDerWaalsContact O-CA 3.28Å; G1136-L1184 WeakPolarHBondContact O-CA 3.42Å; A1137-L1184 HydrophobicContact CB-CD2 3.92Å; L1184-V1191 CarbonylContact O-C 3.58Å; L1184-V1191 VanDerWaalsContact O-CA 3.23Å; L1184-V1191 WeakPolarHBondContact O-CA 3.47Å; L1184-Q1192 PolarHBondContact N-O 2.95Å; L1184-Q1192 PolarHBondContact O-N 2.96Å; L1184-T1194 HydrophobicContact CD1-CG2 4.08Å; L1184-T1194 HydrophobicContact CD2-CG2 3.65Å; L1184-T1194 HydrophobicContact CG-CG2 3.47Å; L1184-T1194 VanDerWaalsContact CG-CG2 3.47Å |
| 1185 | V | 92.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 93.9 | -172.1 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | V1133 L1135 G1136 L1138 Y1141 W1157 T1187 R1188 V1191 | V1133-V1185 VanDerWaalsContact CG1-C 3.41Å; V1133-V1185 WeakPolarHBondContact CG1-O 3.27Å; L1135-V1185 HydrophobicContact CB-CB 4.03Å; L1135-V1185 HydrophobicContact CB-CG1 4.11Å; L1135-V1185 VanDerWaalsContact CB-O 3.28Å; L1135-V1185 WeakPolarHBondContact CB-O 3.36Å; L1135-V1185 HydrophobicContact CD1-CG1 3.99Å; L1135-V1185 PolarHBondContact N-O 3.04Å; G1136-V1185 PolarHBondContact O-N 2.74Å; L1138-V1185 HydrophobicContact CB-CG2 3.73Å; L1138-V1185 HydrophobicContact CD1-CG2 3.81Å; L1138-V1185 HydrophobicContact CG-CG2 4.36Å; Y1141-V1185 HydrophobicContact CD1-CG1 4.46Å; Y1141-V1185 HydrophobicContact CD1-CG2 4.48Å; Y1141-V1185 HydrophobicContact CD2-CB 4.46Å; Y1141-V1185 HydrophobicContact CD2-CG1 4.34Å; Y1141-V1185 HydrophobicContact CG-CB 4.42Å; Y1141-V1185 HydrophobicContact CG-CG1 4.33Å; Y1141-V1185 HydrophobicContact CG-CG2 4.04Å; W1157-V1185 HydrophobicContact CZ2-CG1 3.76Å; W1157-V1185 HydrophobicContact CZ2-CG2 4.29Å; V1185-T1187 WeakPolarHBondContact CG1-O 3.1Å; V1185-R1188 VanDerWaalsContact CG1-CA 3.41Å; V1185-R1188 HydrophobicContact CG1-CB 3.91Å; V1185-V1191 HydrophobicContact CG2-CG1 4.16Å |
| 1186 | Q | 86.1 | Confident | 91.5 | Very high | 40 Ų | 40 | 14.8 Ų | 14.8 | 19% | 0.187 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -61.9 | -172.9 | 177.7 | -175.7 | -35.6 | 0 | 0 | 110.9 | V1133 H1190 | V1133-Q1186 HydrophobicContact CG1-CB 3.85Å; V1133-Q1186 VanDerWaalsContact CG1-N 3.32Å; Q1186-H1190 WeakPolarHBondContact CB-O 3.4Å; Q1186-H1190 PolarHBondContact N-O 2.89Å; Q1186-H1190 VanDerWaalsContact N-O 3.09Å; Q1186-H1190 PolarHBondContact OE1-CD2 3.24Å |
| 1187 | T | 84.4 | Confident | 91 | Very high | 44 Ų | 44 | 15.3 Ų | 15.3 | 27% | 0.27 | 8% | 0.079 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 160.9 | 145.2 | 34.3 | 0 | 0 | 0 | 0 | 104.7 | V1185 E1189 H1190 | V1185-T1187 WeakPolarHBondContact CG1-O 3.1Å; T1187-E1189 WeakPolarHBondContact CB-OE2 2.91Å; T1187-E1189 WeakPolarHBondContact CG2-OE2 3.09Å; T1187-E1189 PolarHBondContact O-N 2.84Å; T1187-E1189 WeakPolarHBondContact OG1-CB 3.33Å; T1187-E1189 PolarHBondContact OG1-OE2 2.78Å; T1187-H1190 CarbonylContact O-C 3.57Å; T1187-H1190 PolarHBondContact O-N 2.89Å |
| 1188 | R | 83.2 | Confident | 90.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -4.8 | 170.9 | 168.8 | -161.6 | 159.3 | 149.8 | 0.8 | 111 | N357 G358 L360 L1135 Y1141 E1148 L1149 T1153 W1157 V1185 | N357-R1188 VanDerWaalsContact CA-C 3.41Å; N357-R1188 WeakPolarHBondContact CA-O 3.48Å; N357-R1188 HydrophobicContact CB-CB 3.83Å; N357-R1188 HydrophobicContact CB-CG 3.78Å; N357-R1188 WeakPolarHBondContact O-CG 3.5Å; N357-R1188 PolarHBondContact O-NE 2.68Å; N357-R1188 WeakPolarHBondContact OD1-CA 3.34Å; N357-R1188 WeakPolarHBondContact OD1-CB 3.3Å; N357-R1188 PolarHBondContact OD1-N 3.07Å; G358-R1188 VanDerWaalsContact O-CZ 3.3Å; G358-R1188 PolarHBondContact O-NE 3.36Å; G358-R1188 PolarHBondContact O-NH2 2.96Å; L360-R1188 VanDerWaalsContact N-NH2 3.11Å; L1135-R1188 HydrophobicContact CD1-CB 4.09Å; Y1141-R1188 HydrophobicContact CE1-CB 4.19Å; Y1141-R1188 HydrophobicContact CE1-CG 3.89Å; Y1141-R1188 VanDerWaalsContact OH-CD 3.25Å; Y1141-R1188 WeakPolarHBondContact OH-CD 3.04Å; E1148-R1188 VanDerWaalsContact O-CZ 3.27Å; E1148-R1188 PolarHBondContact O-NH1 3.23Å; E1148-R1188 PolarHBondContact O-NH2 3.13Å; E1148-R1188 IonicContact OE2-CZ 2.68Å; E1148-R1188 IonicContact OE2-NH1 2.7Å; E1148-R1188 PolarHBondContact OE2-NH1 3.31Å; L1149-R1188 HydrophobicContact CD2-CG 4.48Å; T1153-R1188 HydrophobicContact CG2-CG 3.51Å; T1153-R1188 PolarHBondContact OG1-NE 3.09Å; T1153-R1188 PolarHBondContact OG1-NH2 3.18Å; W1157-R1188 HydrophobicContact CH2-CG 4.06Å; W1157-R1188 HydrophobicContact CZ2-CB 4.02Å; W1157-R1188 HydrophobicContact CZ2-CG 3.53Å; W1157-R1188 PolarHBondContact NE1-O 2.97Å; V1185-R1188 VanDerWaalsContact CG1-CA 3.41Å; V1185-R1188 HydrophobicContact CG1-CB 3.91Å |
| 1189 | E | 84.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 16 Ų | 16 | 24% | 0.238 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -29.7 | 169.7 | -63.1 | 149.8 | -165.9 | 0 | 0 | 113.7 | V356 N357 K370 Q1160 T1187 | V356-E1189 HydrophobicContact CB-CG 3.4Å; V356-E1189 VanDerWaalsContact CB-CG 3.4Å; V356-E1189 WeakPolarHBondContact CB-OE1 3.15Å; V356-E1189 HydrophobicContact CG1-CB 4.16Å; V356-E1189 HydrophobicContact CG1-CG 3.49Å; V356-E1189 VanDerWaalsContact CG1-CG 3.49Å; V356-E1189 WeakPolarHBondContact O-CG 3.04Å; N357-E1189 HydrophobicContact CB-CG 4.3Å; N357-E1189 VanDerWaalsContact OD1-CG 3.29Å; N357-E1189 WeakPolarHBondContact OD1-CG 3.37Å; N357-E1189 PolarHBondContact OD1-N 3.36Å; K370-E1189 IonicContact NZ-OE1 2.82Å; K370-E1189 PolarHBondContact NZ-OE1 2.99Å; Q1160-E1189 VanDerWaalsContact CD-O 3.3Å; Q1160-E1189 PolarHBondContact NE2-O 2.82Å; Q1160-E1189 PolarHBondContact OE1-O 3.12Å; Q1160-E1189 VanDerWaalsContact OE1-O 3.13Å; T1187-E1189 WeakPolarHBondContact CB-OE2 2.91Å; T1187-E1189 WeakPolarHBondContact CG2-OE2 3.09Å; T1187-E1189 PolarHBondContact O-N 2.84Å; T1187-E1189 WeakPolarHBondContact OG1-CB 3.33Å; T1187-E1189 PolarHBondContact OG1-OE2 2.78Å |
| 1190 | H | 89.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 19.5 Ų | 19.5 | 16% | 0.157 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 81.7 | -143.6 | -167.7 | 75 | 0 | 0 | 0 | 108.3 | R1111 H1112 Q1160 Q1186 T1187 Q1192 | R1111-H1190 WeakPolarHBondContact CB-CE1 3.46Å; R1111-H1190 VanDerWaalsContact CG-CE1 3.46Å; R1111-H1190 WeakPolarHBondContact CG-CE1 3.34Å; R1111-H1190 PolarHBondContact NE-CE1 2.87Å; R1111-H1190 PolarHBondContact O-CE1 2.86Å; R1111-H1190 PolarHBondContact O-NE2 3.42Å; H1112-H1190 AromaticContact CE1-CE1 3.05Å; H1112-H1190 PolarHBondContact CE1-CE1 3.47Å; H1112-H1190 AromaticContact CE1-ND1 3.28Å; H1112-H1190 PolarHBondContact CE1-ND1 3.25Å; H1112-H1190 VanDerWaalsContact CE1-ND1 3.28Å; H1112-H1190 AromaticContact CG-CE1 3.98Å; H1112-H1190 AromaticContact ND1-CE1 3.32Å; H1112-H1190 PolarHBondContact ND1-CE1 2.75Å; H1112-H1190 VanDerWaalsContact ND1-CE1 3.32Å; H1112-H1190 AromaticContact ND1-ND1 3.78Å; H1112-H1190 AromaticContact NE2-CE1 3.57Å; Q1160-H1190 VanDerWaalsContact OE1-CA 3.26Å; Q1186-H1190 WeakPolarHBondContact CB-O 3.4Å; Q1186-H1190 PolarHBondContact N-O 2.89Å; Q1186-H1190 VanDerWaalsContact N-O 3.09Å; Q1186-H1190 PolarHBondContact OE1-CD2 3.24Å; T1187-H1190 CarbonylContact O-C 3.57Å; T1187-H1190 PolarHBondContact O-N 2.89Å; H1190-Q1192 VanDerWaalsContact NE2-CG 3.34Å; H1190-Q1192 WeakPolarHBondContact NE2-CG 3.4Å; H1190-Q1192 PolarHBondContact NE2-NE2 2.91Å |
| 1191 | V | 94 | Very high | 89.8 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 147.5 | 176.1 | -81.5 | 0 | 0 | 0 | 0 | 111.4 | H1112 L1138 W1157 Q1160 I1161 V1183 L1184 V1185 | H1112-V1191 WeakPolarHBondContact CA-O 3.07Å; H1112-V1191 PolarHBondContact ND1-O 2.98Å; L1138-V1191 HydrophobicContact CD2-CG1 4.12Å; W1157-V1191 HydrophobicContact CB-CG1 4.39Å; W1157-V1191 HydrophobicContact CB-CG2 3.94Å; W1157-V1191 HydrophobicContact CD2-CG1 3.94Å; W1157-V1191 HydrophobicContact CG-CB 4.4Å; W1157-V1191 HydrophobicContact CG-CG1 3.65Å; W1157-V1191 HydrophobicContact CG-CG2 3.87Å; W1157-V1191 HydrophobicContact CZ2-CG1 4.43Å; Q1160-V1191 HydrophobicContact CB-CG2 3.64Å; Q1160-V1191 HydrophobicContact CG-CG2 4.45Å; I1161-V1191 HydrophobicContact CG1-CG2 4.01Å; V1183-V1191 HydrophobicContact CG1-CB 3.54Å; V1183-V1191 HydrophobicContact CG1-CG1 3.8Å; V1183-V1191 HydrophobicContact CG1-CG2 4.34Å; L1184-V1191 CarbonylContact O-C 3.58Å; L1184-V1191 VanDerWaalsContact O-CA 3.23Å; L1184-V1191 WeakPolarHBondContact O-CA 3.47Å; V1185-V1191 HydrophobicContact CG2-CG1 4.16Å |
| 1192 | Q | 93.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.8 | -178.7 | -58.7 | -166.2 | -60.8 | 0 | 0 | 110.2 | R1111 H1112 L1114 L1184 H1190 | R1111-Q1192 PolarHBondContact O-NE2 3Å; H1112-Q1192 WeakPolarHBondContact O-CA 3.38Å; L1114-Q1192 HydrophobicContact CB-CB 4.32Å; L1184-Q1192 PolarHBondContact N-O 2.95Å; L1184-Q1192 PolarHBondContact O-N 2.96Å; H1190-Q1192 VanDerWaalsContact NE2-CG 3.34Å; H1190-Q1192 WeakPolarHBondContact NE2-CG 3.4Å; H1190-Q1192 PolarHBondContact NE2-NE2 2.91Å |
| 1193 | I | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 137.1 | 176.6 | -59.8 | 160.7 | 0 | 0 | 0 | 109.9 | H1112 L1114 I1161 M1165 H1175 L1178 V1183 F1196 | H1112-I1193 WeakPolarHBondContact O-CG1 3.37Å; H1112-I1193 PolarHBondContact O-N 3.47Å; L1114-I1193 WeakPolarHBondContact CB-O 3.01Å; L1114-I1193 PolarHBondContact N-O 3.19Å; I1161-I1193 HydrophobicContact CG2-CD1 4.21Å; I1161-I1193 HydrophobicContact CG2-CG1 4.28Å; M1165-I1193 HydrophobicContact CG-CD1 3.79Å; M1165-I1193 HydrophobicContact SD-CD1 3.92Å; H1175-I1193 VanDerWaalsContact NE2-CG2 3.28Å; H1175-I1193 WeakPolarHBondContact NE2-CG2 3.37Å; L1178-I1193 HydrophobicContact CD1-CG1 4.34Å; L1178-I1193 HydrophobicContact CD1-CG2 3.98Å; V1183-I1193 HydrophobicContact CG2-CG1 4.37Å; I1193-F1196 HydrophobicContact CG2-CZ 4.31Å |
| 1194 | T | 92.3 | Very high | 87.2 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | trans | -144.8 | -176.1 | -174.4 | -163.6 | 0 | 0 | 0 | 0 | 112.4 | L1114 H1175 N1182 L1184 | L1114-T1194 WeakPolarHBondContact CD2-OG1 3.37Å; H1175-T1194 PolarHBondContact CE1-O 3.38Å; H1175-T1194 PolarHBondContact NE2-O 3.01Å; N1182-T1194 WeakPolarHBondContact O-CG2 3.03Å; N1182-T1194 PolarHBondContact O-N 2.88Å; N1182-T1194 VanDerWaalsContact O-O 3.07Å; L1184-T1194 HydrophobicContact CD1-CG2 4.08Å; L1184-T1194 HydrophobicContact CD2-CG2 3.65Å; L1184-T1194 HydrophobicContact CG-CG2 3.47Å; L1184-T1194 VanDerWaalsContact CG-CG2 3.47Å | ||
| 1195 | D | 87.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 10% | 0.102 | 18% | 0.181 | C | C | . | . | trans | 55 | 64.2 | -177.5 | -156.2 | -20.4 | 0 | 0 | 0 | 112.2 | F1024 K1055 N1182 G1197 | F1024-D1195 WeakPolarHBondContact CD2-OD1 3.3Å; K1055-D1195 IonicContact NZ-OD1 3.43Å; K1055-D1195 PolarHBondContact NZ-OD1 2.94Å; K1055-D1195 IonicContact NZ-OD2 3.42Å; K1055-D1195 PolarHBondContact NZ-OD2 3.35Å; N1182-D1195 HydrophobicContact CB-CB 4.13Å; D1195-G1197 PolarHBondContact O-N 3.12Å; D1195-G1197 VanDerWaalsContact O-N 3.08Å; D1195-G1197 PolarHBondContact OD1-N 3.19Å | ||
| 1196 | F | 88.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -74.9 | 14.7 | 174.1 | -64.3 | -93.7 | 0 | 0 | 0 | 111.9 | E1101 I1104 M1105 V1108 C1113 L1168 H1175 I1193 L1198 A1199 | E1101-F1196 HydrophobicContact CG-CB 4.08Å; E1101-F1196 PolarHBondContact OE1-N 2.95Å; I1104-F1196 HydrophobicContact CB-CB 4.25Å; I1104-F1196 HydrophobicContact CG2-CB 3.97Å; I1104-F1196 HydrophobicContact CG2-CD1 3.53Å; I1104-F1196 HydrophobicContact CG2-CE1 4.31Å; I1104-F1196 HydrophobicContact CG2-CG 4Å; M1105-F1196 HydrophobicContact CG-CB 4.09Å; M1105-F1196 HydrophobicContact CG-CD2 3.54Å; M1105-F1196 HydrophobicContact CG-CE2 4.28Å; M1105-F1196 HydrophobicContact CG-CG 4.06Å; M1105-F1196 HydrophobicContact SD-CD2 4.4Å; V1108-F1196 HydrophobicContact CG1-CZ 4.24Å; V1108-F1196 HydrophobicContact CG2-CE1 4.21Å; V1108-F1196 HydrophobicContact CG2-CZ 4.42Å; C1113-F1196 HydrophobicContact CB-CZ 4.41Å; L1168-F1196 HydrophobicContact CD1-CE1 3.84Å; L1168-F1196 HydrophobicContact CD1-CZ 4.39Å; L1168-F1196 HydrophobicContact CD2-CE1 4Å; H1175-F1196 AromaticContact CD2-CD1 3.7Å; H1175-F1196 AromaticContact CD2-CE1 3.58Å; H1175-F1196 AromaticContact NE2-CD1 3.72Å; H1175-F1196 AromaticContact NE2-CE1 3.75Å; I1193-F1196 HydrophobicContact CG2-CZ 4.31Å; F1196-L1198 PolarHBondContact O-N 3.3Å; F1196-A1199 HydrophobicContact CB-CB 3.96Å; F1196-A1199 HydrophobicContact CD1-CB 4Å; F1196-A1199 HydrophobicContact CG-CB 4.49Å; F1196-A1199 WeakPolarHBondContact O-CB 3.34Å; F1196-A1199 PolarHBondContact O-N 2.01Å |
| 1197 | G | 83.7 | Confident | 84.1 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 19% | 0.186 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -59.9 | -29.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1195 | D1195-G1197 PolarHBondContact O-N 3.12Å; D1195-G1197 VanDerWaalsContact O-N 3.08Å; D1195-G1197 PolarHBondContact OD1-N 3.19Å |
| 1198 | L | 87 | Confident | 84 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -98.7 | -7 | 171 | -71.7 | 176.4 | 0 | 0 | 0 | 114.3 | F1024 R1176 D1177 F1196 R1216 | F1024-L1198 HydrophobicContact CE1-CD2 4.05Å; F1024-L1198 HydrophobicContact CE1-CG 4.09Å; F1024-L1198 HydrophobicContact CE2-CD1 3.95Å; F1024-L1198 HydrophobicContact CE2-CG 3.82Å; F1024-L1198 HydrophobicContact CZ-CD1 3.59Å; F1024-L1198 HydrophobicContact CZ-CD2 3.72Å; F1024-L1198 HydrophobicContact CZ-CG 3.36Å; R1176-L1198 HydrophobicContact CB-CB 4.09Å; R1176-L1198 WeakPolarHBondContact CB-O 3.29Å; R1176-L1198 VanDerWaalsContact CD-O 3.24Å; R1176-L1198 WeakPolarHBondContact CD-O 2.92Å; R1176-L1198 PolarHBondContact NH1-O 3.37Å; D1177-L1198 HydrophobicContact CB-CB 4.05Å; D1177-L1198 HydrophobicContact CB-CD1 3.78Å; D1177-L1198 HydrophobicContact CB-CG 4.39Å; F1196-L1198 PolarHBondContact O-N 3.3Å; L1198-R1216 WeakPolarHBondContact CD2-O 3.36Å |
| 1199 | A | 90.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | trans | -63.2 | 153.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1104 I1173 I1174 H1175 F1196 | I1104-A1199 HydrophobicContact CD1-CB 3.55Å; I1104-A1199 WeakPolarHBondContact CD1-O 3.36Å; I1104-A1199 HydrophobicContact CG2-CB 4.06Å; I1173-A1199 HydrophobicContact CG2-CB 4.41Å; I1174-A1199 CarbonylContact O-C 3.45Å; I1174-A1199 WeakPolarHBondContact O-CA 3.05Å; I1174-A1199 WeakPolarHBondContact O-CB 3.38Å; H1175-A1199 VanDerWaalsContact O-CA 3.31Å; H1175-A1199 WeakPolarHBondContact O-CA 3.12Å; H1175-A1199 PolarHBondContact O-N 2.93Å; F1196-A1199 HydrophobicContact CB-CB 3.96Å; F1196-A1199 HydrophobicContact CD1-CB 4Å; F1196-A1199 HydrophobicContact CG-CB 4.49Å; F1196-A1199 WeakPolarHBondContact O-CB 3.34Å; F1196-A1199 PolarHBondContact O-N 2.01Å | ||
| 1200 | K | 89.1 | Confident | 84.4 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 32% | 0.317 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.5 | 176 | -72.5 | -64.5 | 177.8 | -170.1 | 0 | 110.8 | I1174 | I1174-K1200 PolarHBondContact N-O 2.79Å; I1174-K1200 PolarHBondContact O-N 3.37Å |
| 1201 | M | 86.8 | Confident | 84.3 | Confident | 25 Ų | 25 | 52.9 Ų | 52.9 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 128.1 | 170.2 | -177.4 | 175.6 | -77.9 | 0 | 0 | 108.5 | R995 E996 S1107 I1173 E1203 | R995-M1201 HydrophobicContact CB-CE 4.4Å; R995-M1201 HydrophobicContact CB-CG 3.87Å; R995-M1201 HydrophobicContact CB-SD 3.58Å; R995-M1201 VanDerWaalsContact CB-SD 3.58Å; R995-M1201 WeakPolarHBondContact O-CE 3.25Å; E996-M1201 HydrophobicContact CG-SD 4.21Å; S1107-M1201 WeakPolarHBondContact OG-CE 3.34Å; I1173-M1201 HydrophobicContact CD1-CE 4.1Å; I1173-M1201 HydrophobicContact CG1-CE 4.04Å; M1201-E1203 PolarHBondContact O-N 2.78Å |
| 1202 | L | 86.6 | Confident | 83.8 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | trans | -69.9 | 123 | 176 | -72.5 | 157.7 | 0 | 0 | 0 | 109.2 | R995 G1172 I1174 R1204 E1207 V1210 H1234 | R995-L1202 WeakPolarHBondContact CD-O 3.31Å; R995-L1202 PolarHBondContact NH1-O 2.94Å; R995-L1202 VanDerWaalsContact NH1-O 3.14Å; G1172-L1202 PolarHBondContact O-N 2.84Å; I1174-L1202 HydrophobicContact CD1-CD1 4.02Å; I1174-L1202 HydrophobicContact CD1-CD2 3.86Å; I1174-L1202 HydrophobicContact CD1-CG 3.88Å; I1174-L1202 HydrophobicContact CG1-CD1 4.12Å; I1174-L1202 HydrophobicContact CG1-CG 4.3Å; L1202-R1204 VanDerWaalsContact C-N 3.3Å; L1202-R1204 PolarHBondContact O-N 2.9Å; L1202-E1207 HydrophobicContact CB-CB 4.49Å; L1202-E1207 HydrophobicContact CD2-CB 3.92Å; L1202-V1210 HydrophobicContact CD2-CG2 3.66Å; L1202-H1234 WeakPolarHBondContact CD1-NE2 3.45Å | ||
| 1203 | E | 73 | Confident | 82.9 | Confident | 154 Ų | 154 | 63.3 Ų | 63.3 | 72% | 0.72 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -68.6 | -31.7 | -169.8 | -62.1 | -172.1 | 176.7 | 0 | 0 | 111.8 | M1201 E1207 | M1201-E1203 PolarHBondContact O-N 2.78Å; E1203-E1207 WeakPolarHBondContact CA-OE2 3.25Å; E1203-E1207 WeakPolarHBondContact CB-OE2 3.44Å; E1203-E1207 PolarHBondContact N-OE2 2.82Å |
| 1204 | R | 69.3 | Low | 81.7 | Confident | 141 Ų | 141 | 67.5 Ų | 67.5 | 53% | 0.532 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -122.4 | 162.8 | -179 | -46.1 | 176.6 | -164.6 | 160.5 | 11.3 | 112.5 | R995 L1202 D1206 E1207 | R995-R1204 PolarHBondContact NH1-O 2.96Å; L1202-R1204 VanDerWaalsContact C-N 3.3Å; L1202-R1204 PolarHBondContact O-N 2.9Å; R1204-D1206 VanDerWaalsContact C-N 3.33Å; R1204-D1206 WeakPolarHBondContact CB-OD1 3.48Å; R1204-E1207 HydrophobicContact CB-CB 4.44Å; R1204-E1207 HydrophobicContact CB-CG 3.97Å; R1204-E1207 VanDerWaalsContact CD-OE1 3.22Å; R1204-E1207 WeakPolarHBondContact CD-OE1 3.44Å; R1204-E1207 HydrophobicContact CG-CG 4.28Å; R1204-E1207 WeakPolarHBondContact CG-OE1 3.28Å; R1204-E1207 IonicContact CZ-OE1 3.83Å; R1204-E1207 PolarHBondContact N-OE2 2.83Å; R1204-E1207 IonicContact NE-OE1 2.74Å; R1204-E1207 PolarHBondContact NE-OE1 3.01Å; R1204-E1207 VanDerWaalsContact NE-OE1 3.11Å; R1204-E1207 IonicContact NH1-OE1 3.6Å; R1204-E1207 IonicContact NH2-OE1 3.9Å |
| 1205 | R | 65.3 | Low | 80.7 | Confident | 192 Ų | 192 | 69.4 Ų | 69.4 | 73% | 0.725 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -76.9 | -21.9 | -179.5 | -59.8 | -170.3 | -170.3 | -160.1 | 6.1 | 113.3 | S992 | S992-R1205 PolarHBondContact O-NH2 3.02Š|
| 1206 | D | 68.2 | Low | 80 | Confident | 129 Ų | 129 | 74.3 Ų | 74.3 | 69% | 0.69 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -92 | -7.7 | 177.3 | 53.6 | -55.7 | 0 | 0 | 0 | 113.5 | R1204 | R1204-D1206 VanDerWaalsContact C-N 3.33Å; R1204-D1206 WeakPolarHBondContact CB-OD1 3.48Å |
| 1207 | E | 74.2 | Confident | 79.8 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 22% | 0.22 | 40% | 0.396 | C | S | . | . | trans | -82.8 | 124.7 | 169.8 | -71.5 | 165.7 | 178.9 | 0 | 0 | 109.6 | L1202 E1203 R1204 | L1202-E1207 HydrophobicContact CB-CB 4.49Å; L1202-E1207 HydrophobicContact CD2-CB 3.92Å; E1203-E1207 WeakPolarHBondContact CA-OE2 3.25Å; E1203-E1207 WeakPolarHBondContact CB-OE2 3.44Å; E1203-E1207 PolarHBondContact N-OE2 2.82Å; R1204-E1207 HydrophobicContact CB-CB 4.44Å; R1204-E1207 HydrophobicContact CB-CG 3.97Å; R1204-E1207 VanDerWaalsContact CD-OE1 3.22Å; R1204-E1207 WeakPolarHBondContact CD-OE1 3.44Å; R1204-E1207 HydrophobicContact CG-CG 4.28Å; R1204-E1207 WeakPolarHBondContact CG-OE1 3.28Å; R1204-E1207 IonicContact CZ-OE1 3.83Å; R1204-E1207 PolarHBondContact N-OE2 2.83Å; R1204-E1207 IonicContact NE-OE1 2.74Å; R1204-E1207 PolarHBondContact NE-OE1 3.01Å; R1204-E1207 VanDerWaalsContact NE-OE1 3.11Å; R1204-E1207 IonicContact NH1-OE1 3.6Å; R1204-E1207 IonicContact NH2-OE1 3.9Å | ||
| 1208 | D | 81.5 | Confident | 80.1 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 47% | 0.471 | 39% | 0.39 | S | S | . | . | trans | -100 | -17.3 | 174.8 | 59.9 | 1.1 | 0 | 0 | 0 | 112.9 | S1233 | D1208-S1233 VanDerWaalsContact O-CB 3.24Å; D1208-S1233 WeakPolarHBondContact O-CB 3.38Å | ||
| 1209 | S | 87.3 | Confident | 80.3 | Confident | 43 Ų | 43 | 78.7 Ų | 78.7 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 158.5 | -164.8 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | Y1232 | S1209-Y1232 CarbonylContact C-O 3.6Å; S1209-Y1232 WeakPolarHBondContact CA-O 3.47Å; S1209-Y1232 VanDerWaalsContact CB-O 3.32Å; S1209-Y1232 WeakPolarHBondContact CB-O 3.44Å |
| 1210 | V | 88.9 | Confident | 80.4 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 25% | 0.248 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.1 | 179.2 | -175.4 | 0 | 0 | 0 | 0 | 109.5 | I1174 L1202 V1212 Y1232 | I1174-V1210 HydrophobicContact CD1-CG2 4.22Å; L1202-V1210 HydrophobicContact CD2-CG2 3.66Å; V1210-V1212 HydrophobicContact CG1-CG2 4.1Å; V1210-Y1232 PolarHBondContact N-O 3.28Å; V1210-Y1232 PolarHBondContact O-N 2.93Å |
| 1211 | I | 87.7 | Confident | 80.7 | Confident | 98 Ų | 98 | 77 Ų | 77 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.3 | 175.7 | -56.8 | 177.7 | 0 | 0 | 0 | 110 | K1213 G1230 I1231 | I1211-K1213 HydrophobicContact CG2-CG 3.94Å; I1211-G1230 CarbonylContact C-O 3.2Å; I1211-G1230 WeakPolarHBondContact CA-O 3.31Å; I1211-I1231 HydrophobicContact CG1-CG1 4.07Å |
| 1212 | V | 84.3 | Confident | 81.1 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 19% | 0.194 | 39% | 0.389 | C | S | . | . | trans | -116.7 | 111.6 | 178 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | V1210 A1214 G1230 Y1232 | V1210-V1212 HydrophobicContact CG1-CG2 4.1Å; V1212-A1214 WeakPolarHBondContact CG1-O 3.48Å; V1212-G1230 PolarHBondContact N-O 3.14Å; V1212-Y1232 HydrophobicContact CB-CD2 4.03Å; V1212-Y1232 HydrophobicContact CB-CE2 3.95Å; V1212-Y1232 HydrophobicContact CG2-CD2 4.08Å; V1212-Y1232 HydrophobicContact CG2-CE2 4.42Å | ||
| 1213 | K | 74.5 | Confident | 81.6 | Confident | 191 Ų | 191 | 76.3 Ų | 76.3 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | trans | -96.4 | -7.1 | -168.8 | -60 | -174.4 | 179.3 | 179.7 | 0 | 115.4 | I1211 | I1211-K1213 HydrophobicContact CG2-CG 3.94Š| ||
| 1214 | A | 70.3 | Confident | 82.6 | Confident | 87 Ų | 87 | 69.2 Ų | 69.2 | 72% | 0.719 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -155.1 | 158 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1212 | V1212-A1214 WeakPolarHBondContact CG1-O 3.48Š|
| 1215 | G | 72.2 | Confident | 83.8 | Confident | 60 Ų | 60 | 63 Ų | 63 | 62% | 0.619 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 131.9 | 172.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 1216 | R | 71.7 | Confident | 85.1 | Confident | 121 Ų | 121 | 54.4 Ų | 54.4 | 46% | 0.457 | 30% | 0.301 | S | S | . | . | trans | -67.7 | 134.1 | 165.7 | -65.3 | 175.5 | 173.1 | 158.5 | -3.2 | 107.6 | S1023 F1024 D1060 L1198 | S1023-R1216 WeakPolarHBondContact O-CD 3.07Å; S1023-R1216 PolarHBondContact O-NH1 3.36Å; F1024-R1216 HydrophobicContact CE1-CB 4.32Å; F1024-R1216 HydrophobicContact CZ-CB 4.3Å; D1060-R1216 IonicContact OD2-NH2 3.3Å; D1060-R1216 PolarHBondContact OD2-NH2 3.21Å; L1198-R1216 WeakPolarHBondContact CD2-O 3.36Å | ||
| 1217 | V | 84 | Confident | 86.3 | Confident | 60 Ų | 60 | 49 Ų | 49 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | trans | -139.6 | 144.2 | -178.1 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | I1219 L1222 Y1232 | V1217-I1219 VanDerWaalsContact C-N 3.32Å; V1217-I1219 HydrophobicContact CG2-CG1 3.99Å; V1217-I1219 PolarHBondContact O-N 3.04Å; V1217-L1222 HydrophobicContact CB-CD1 4.12Å; V1217-L1222 HydrophobicContact CG2-CD1 4.03Å; V1217-Y1232 WeakPolarHBondContact CG1-OH 3.09Å | ||
| 1218 | P | 89.3 | Confident | 87 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | trans | -81.7 | 71.3 | -177.7 | 36.2 | -41.4 | 0 | 0 | 0 | 111.3 | D1177 R1220 W1221 L1222 | D1177-P1218 HydrophobicContact CB-CG 4.16Å; D1177-P1218 WeakPolarHBondContact OD1-CB 3.49Å; D1177-P1218 WeakPolarHBondContact OD1-CG 3.45Å; P1218-R1220 PolarHBondContact O-N 3.02Å; P1218-W1221 HydrophobicContact CB-CB 4.2Å; P1218-W1221 HydrophobicContact CB-CD2 4.28Å; P1218-W1221 HydrophobicContact CB-CE3 3.71Å; P1218-W1221 HydrophobicContact CB-CG 4.48Å; P1218-W1221 HydrophobicContact CG-CB 4.38Å; P1218-W1221 WeakPolarHBondContact O-CA 3.11Å; P1218-W1221 PolarHBondContact O-N 2.8Å; P1218-L1222 HydrophobicContact CG-CD2 3.82Å; P1218-L1222 WeakPolarHBondContact O-CG 3.38Å; P1218-L1222 PolarHBondContact O-N 2.92Å | ||
| 1219 | I | 91.1 | Very high | 87.4 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 30% | 0.303 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -45.7 | -39.6 | -168 | -57.3 | 175.7 | 0 | 0 | 0 | 114 | V1217 W1221 L1222 L1227 T1261 I1264 | V1217-I1219 VanDerWaalsContact C-N 3.32Å; V1217-I1219 HydrophobicContact CG2-CG1 3.99Å; V1217-I1219 PolarHBondContact O-N 3.04Å; I1219-W1221 VanDerWaalsContact C-N 3.25Å; I1219-W1221 PolarHBondContact O-N 2.97Å; I1219-L1222 PolarHBondContact O-N 2.8Å; I1219-L1227 HydrophobicContact CG2-CD2 4.17Å; I1219-T1261 HydrophobicContact CD1-CG2 4.24Å; I1219-I1264 HydrophobicContact CB-CD1 4.22Å; I1219-I1264 HydrophobicContact CG2-CB 4.06Å; I1219-I1264 HydrophobicContact CG2-CD1 3.66Å; I1219-I1264 HydrophobicContact CG2-CG2 4.27Å |
| 1220 | R | 94 | Very high | 87.5 | Confident | 9 Ų | 9 | 51 Ų | 51 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -72.1 | -11.4 | -178.7 | -63.5 | 167.9 | 176.3 | -79.3 | -8.6 | 114.6 | P1218 P1255 Y1256 V1259 T1261 I1264 | P1218-R1220 PolarHBondContact O-N 3.02Å; R1220-P1255 HydrophobicContact CB-CB 4.17Å; R1220-P1255 VanDerWaalsContact CD-O 3.23Å; R1220-P1255 WeakPolarHBondContact CD-O 2.95Å; R1220-P1255 WeakPolarHBondContact CG-O 3.39Å; R1220-P1255 PolarHBondContact NH1-O 3.22Å; R1220-Y1256 HydrophobicContact CB-CD2 4.41Å; R1220-Y1256 PolarHBondContact NH1-O 2.94Å; R1220-Y1256 WeakPolarHBondContact O-CE2 3.29Å; R1220-V1259 PolarHBondContact NH1-O 3.48Å; R1220-V1259 PolarHBondContact NH2-O 2.86Å; R1220-T1261 PolarHBondContact NH2-OG1 3.08Å; R1220-I1264 HydrophobicContact CB-CD1 4.37Å; R1220-I1264 HydrophobicContact CG-CD1 3.25Å; R1220-I1264 HydrophobicContact CG-CG1 4.21Å |
| 1221 | W | 95.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 11% | 0.114 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -111.8 | -5.5 | -179.6 | -63.7 | -103.4 | 0 | 0 | 0 | 113.7 | A1179 R1181 P1218 I1219 S1240 V1243 E1247 P1255 | A1179-W1221 HydrophobicContact CB-CD2 4.36Å; A1179-W1221 HydrophobicContact CB-CG 4.32Å; A1179-W1221 HydrophobicContact CB-CZ2 4.41Å; A1179-W1221 VanDerWaalsContact CB-NE1 3.31Å; R1181-W1221 VanDerWaalsContact NH1-CH2 3.3Å; R1181-W1221 VanDerWaalsContact NH1-CZ2 3.27Å; P1218-W1221 HydrophobicContact CB-CB 4.2Å; P1218-W1221 HydrophobicContact CB-CD2 4.28Å; P1218-W1221 HydrophobicContact CB-CE3 3.71Å; P1218-W1221 HydrophobicContact CB-CG 4.48Å; P1218-W1221 HydrophobicContact CG-CB 4.38Å; P1218-W1221 WeakPolarHBondContact O-CA 3.11Å; P1218-W1221 PolarHBondContact O-N 2.8Å; I1219-W1221 VanDerWaalsContact C-N 3.25Å; I1219-W1221 PolarHBondContact O-N 2.97Å; W1221-S1240 PolarHBondContact O-OG 2.98Å; W1221-V1243 HydrophobicContact CB-CG1 4.37Å; W1221-V1243 HydrophobicContact CD2-CG1 4.38Å; W1221-V1243 HydrophobicContact CG-CB 4.31Å; W1221-V1243 HydrophobicContact CG-CG1 3.78Å; W1221-E1247 WeakPolarHBondContact CZ2-OE1 3.34Å; W1221-E1247 VanDerWaalsContact NE1-CD 3.3Å; W1221-E1247 PolarHBondContact NE1-OE2 2.76Å; W1221-P1255 HydrophobicContact CZ2-CG 3.84Å |
| 1222 | L | 94.8 | Very high | 88 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | trans | -77.8 | 144.4 | -174 | -61.8 | -175.3 | 0 | 0 | 0 | 113 | V1217 P1218 I1219 T1226 L1227 Y1232 W1239 | V1217-L1222 HydrophobicContact CB-CD1 4.12Å; V1217-L1222 HydrophobicContact CG2-CD1 4.03Å; P1218-L1222 HydrophobicContact CG-CD2 3.82Å; P1218-L1222 WeakPolarHBondContact O-CG 3.38Å; P1218-L1222 PolarHBondContact O-N 2.92Å; I1219-L1222 PolarHBondContact O-N 2.8Å; L1222-T1226 HydrophobicContact CB-CG2 4.38Å; L1222-T1226 HydrophobicContact CD1-CG2 4.27Å; L1222-T1226 HydrophobicContact CD2-CG2 3.97Å; L1222-T1226 HydrophobicContact CG-CG2 4.43Å; L1222-L1227 HydrophobicContact CB-CD1 4.38Å; L1222-L1227 HydrophobicContact CB-CD2 3.95Å; L1222-L1227 HydrophobicContact CB-CG 3.79Å; L1222-L1227 HydrophobicContact CD1-CD2 3.94Å; L1222-L1227 HydrophobicContact CD1-CG 4.48Å; L1222-Y1232 HydrophobicContact CD2-CE1 4.06Å; L1222-W1239 PolarHBondContact O-NE1 3.15Å | ||
| 1223 | A | 96.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | trans | -74.5 | 163.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1225 T1226 L1227 T1236 W1239 | A1223-E1225 VanDerWaalsContact CB-OE2 3.3Å; A1223-E1225 WeakPolarHBondContact CB-OE2 3.19Å; A1223-E1225 PolarHBondContact O-N 2.69Å; A1223-T1226 WeakPolarHBondContact O-CB 3.27Å; A1223-T1226 PolarHBondContact O-N 2.95Å; A1223-T1226 VanDerWaalsContact O-N 3.11Å; A1223-L1227 WeakPolarHBondContact O-CG 3.47Å; A1223-L1227 PolarHBondContact O-N 3.38Å; A1223-T1236 HydrophobicContact CB-CG2 3.93Å; A1223-W1239 HydrophobicContact CB-CB 3.74Å; A1223-W1239 HydrophobicContact CB-CD2 3.87Å; A1223-W1239 HydrophobicContact CB-CE3 4.06Å; A1223-W1239 HydrophobicContact CB-CG 3.71Å | ||
| 1224 | I | 94.5 | Very high | 89.4 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59 | -47.2 | -179 | -77.2 | 170.1 | 0 | 0 | 0 | 111.9 | T1226 L1227 Q1228 W1239 V1268 R1273 E1294 | I1224-T1226 PolarHBondContact O-N 2.89Å; I1224-L1227 PolarHBondContact O-N 3.22Å; I1224-Q1228 HydrophobicContact CG2-CG 4.16Å; I1224-Q1228 VanDerWaalsContact O-CB 3.28Å; I1224-Q1228 WeakPolarHBondContact O-CB 3.4Å; I1224-Q1228 VanDerWaalsContact O-CG 3.3Å; I1224-Q1228 WeakPolarHBondContact O-CG 3.2Å; I1224-Q1228 PolarHBondContact O-N 2.03Å; I1224-W1239 HydrophobicContact CB-CZ3 4.5Å; I1224-W1239 HydrophobicContact CD1-CH2 3.75Å; I1224-W1239 HydrophobicContact CD1-CZ3 3.93Å; I1224-W1239 HydrophobicContact CG1-CH2 3.66Å; I1224-W1239 HydrophobicContact CG1-CZ3 3.92Å; I1224-V1268 HydrophobicContact CD1-CG1 4.3Å; I1224-V1268 HydrophobicContact CG1-CG1 3.7Å; I1224-R1273 VanDerWaalsContact CD1-NH2 3.31Å; I1224-E1294 HydrophobicContact CD1-CB 4.19Å; I1224-E1294 HydrophobicContact CD1-CG 4.02Å |
| 1225 | E | 94.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.2 | -26.8 | 178.1 | 66.6 | -85.9 | -148.8 | 0 | 0 | 112.6 | A1223 Y1229 G1230 I1231 T1236 Y1296 R1299 | A1223-E1225 VanDerWaalsContact CB-OE2 3.3Å; A1223-E1225 WeakPolarHBondContact CB-OE2 3.19Å; A1223-E1225 PolarHBondContact O-N 2.69Å; E1225-Y1229 HydrophobicContact CB-CD2 4.32Å; E1225-Y1229 WeakPolarHBondContact O-CA 3.33Å; E1225-Y1229 WeakPolarHBondContact O-CB 3.39Å; E1225-Y1229 PolarHBondContact O-N 3.39Å; E1225-G1230 PolarHBondContact O-N 3.14Å; E1225-I1231 HydrophobicContact CB-CB 4.28Å; E1225-I1231 HydrophobicContact CB-CD1 4.49Å; E1225-I1231 HydrophobicContact CG-CB 4.14Å; E1225-I1231 HydrophobicContact CG-CG2 4.13Å; E1225-I1231 PolarHBondContact O-N 3.06Å; E1225-T1236 HydrophobicContact CG-CG2 3.83Å; E1225-T1236 VanDerWaalsContact OE1-CG2 3.24Å; E1225-T1236 WeakPolarHBondContact OE1-CG2 3.4Å; E1225-Y1296 VanDerWaalsContact OE1-CB 3.28Å; E1225-Y1296 WeakPolarHBondContact OE1-CB 3.38Å; E1225-R1299 IonicContact OE1-CZ 2.66Å; E1225-R1299 IonicContact OE1-NH1 3.75Å; E1225-R1299 PolarHBondContact OE1-NH1 2.71Å; E1225-R1299 IonicContact OE1-NH2 2.84Å; E1225-R1299 PolarHBondContact OE1-NH2 2.73Å; E1225-R1299 IonicContact OE2-CZ 3.97Å; E1225-R1299 IonicContact OE2-NH1 3.73Å; E1225-R1299 PolarHBondContact OE2-NH1 3.38Å; E1225-R1299 IonicContact OE2-NH2 3.8Å; E1225-R1299 PolarHBondContact OE2-NH2 2.8Å |
| 1226 | T | 93.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.3 | -45.8 | 172.9 | -41.2 | 0 | 0 | 0 | 0 | 111.4 | L1222 A1223 I1224 Q1228 G1230 I1231 Y1232 T1236 | L1222-T1226 HydrophobicContact CB-CG2 4.38Å; L1222-T1226 HydrophobicContact CD1-CG2 4.27Å; L1222-T1226 HydrophobicContact CD2-CG2 3.97Å; L1222-T1226 HydrophobicContact CG-CG2 4.43Å; A1223-T1226 WeakPolarHBondContact O-CB 3.27Å; A1223-T1226 PolarHBondContact O-N 2.95Å; A1223-T1226 VanDerWaalsContact O-N 3.11Å; I1224-T1226 PolarHBondContact O-N 2.89Å; T1226-Q1228 VanDerWaalsContact C-N 3.33Å; T1226-Q1228 PolarHBondContact O-N 3.37Å; T1226-G1230 VanDerWaalsContact O-CA 3.28Å; T1226-G1230 WeakPolarHBondContact O-CA 3.23Å; T1226-G1230 PolarHBondContact O-N 2.8Å; T1226-I1231 VanDerWaalsContact CA-O 3.25Å; T1226-I1231 WeakPolarHBondContact CA-O 3.34Å; T1226-I1231 VanDerWaalsContact CB-O 3.26Å; T1226-I1231 WeakPolarHBondContact CB-O 3.34Å; T1226-I1231 WeakPolarHBondContact CG2-O 3Å; T1226-I1231 PolarHBondContact OG1-O 3.19Å; T1226-Y1232 HydrophobicContact CG2-CD1 3.96Å; T1226-Y1232 HydrophobicContact CG2-CD2 3.89Å; T1226-Y1232 HydrophobicContact CG2-CE1 3.54Å; T1226-Y1232 HydrophobicContact CG2-CE2 3.42Å; T1226-Y1232 VanDerWaalsContact CG2-CE2 3.42Å; T1226-Y1232 HydrophobicContact CG2-CG 4.15Å; T1226-T1236 WeakPolarHBondContact OG1-CG2 3.26Å |
| 1227 | L | 91.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 26.4 Ų | 26.4 | 9% | 0.089 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 176.4 | -71.5 | 164.9 | 0 | 0 | 0 | 112.2 | I1219 L1222 A1223 I1224 K1265 V1268 | I1219-L1227 HydrophobicContact CG2-CD2 4.17Å; L1222-L1227 HydrophobicContact CB-CD1 4.38Å; L1222-L1227 HydrophobicContact CB-CD2 3.95Å; L1222-L1227 HydrophobicContact CB-CG 3.79Å; L1222-L1227 HydrophobicContact CD1-CD2 3.94Å; L1222-L1227 HydrophobicContact CD1-CG 4.48Å; A1223-L1227 WeakPolarHBondContact O-CG 3.47Å; A1223-L1227 PolarHBondContact O-N 3.38Å; I1224-L1227 PolarHBondContact O-N 3.22Å; L1227-K1265 HydrophobicContact CB-CG 4.34Å; L1227-K1265 HydrophobicContact CD2-CB 4.23Å; L1227-K1265 WeakPolarHBondContact O-CD 3.37Å; L1227-K1265 WeakPolarHBondContact O-CE 3.34Å; L1227-K1265 PolarHBondContact O-NZ 2.79Å; L1227-V1268 HydrophobicContact CD1-CB 4.05Å; L1227-V1268 HydrophobicContact CD1-CG1 3.84Å |
| 1228 | Q | 89.8 | Confident | 93.8 | Very high | 60 Ų | 60 | 23.6 Ų | 23.6 | 28% | 0.28 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -83.1 | -51.2 | 179.4 | -71.7 | 179.3 | -7.9 | 0 | 0 | 112.5 | I1224 T1226 I1269 | I1224-Q1228 HydrophobicContact CG2-CG 4.16Å; I1224-Q1228 VanDerWaalsContact O-CB 3.28Å; I1224-Q1228 WeakPolarHBondContact O-CB 3.4Å; I1224-Q1228 VanDerWaalsContact O-CG 3.3Å; I1224-Q1228 WeakPolarHBondContact O-CG 3.2Å; I1224-Q1228 PolarHBondContact O-N 2.03Å; T1226-Q1228 VanDerWaalsContact C-N 3.33Å; T1226-Q1228 PolarHBondContact O-N 3.37Å; Q1228-I1269 HydrophobicContact CG-CD1 3.51Å; Q1228-I1269 HydrophobicContact CG-CG1 3.99Å |
| 1229 | Y | 90.2 | Very high | 94.2 | Very high | 146 Ų | 146 | 23.2 Ų | 23.2 | 57% | 0.573 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -122 | -6.7 | -165.5 | -46.3 | -65.8 | 0 | 0 | 0 | 114.7 | E1225 I1231 | E1225-Y1229 HydrophobicContact CB-CD2 4.32Å; E1225-Y1229 WeakPolarHBondContact O-CA 3.33Å; E1225-Y1229 WeakPolarHBondContact O-CB 3.39Å; E1225-Y1229 PolarHBondContact O-N 3.39Å; Y1229-I1231 VanDerWaalsContact C-N 3.28Å; Y1229-I1231 HydrophobicContact CD2-CD1 4.09Å; Y1229-I1231 HydrophobicContact CG-CD1 4.29Å |
| 1230 | G | 89.8 | Confident | 94.5 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 12% | 0.124 | 10% | 0.095 | C | C | . | . | trans | 73.6 | 16.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1211 V1212 E1225 T1226 Y1232 | I1211-G1230 CarbonylContact C-O 3.2Å; I1211-G1230 WeakPolarHBondContact CA-O 3.31Å; V1212-G1230 PolarHBondContact N-O 3.14Å; E1225-G1230 PolarHBondContact O-N 3.14Å; T1226-G1230 VanDerWaalsContact O-CA 3.28Å; T1226-G1230 WeakPolarHBondContact O-CA 3.23Å; T1226-G1230 PolarHBondContact O-N 2.8Å; G1230-Y1232 WeakPolarHBondContact O-CD2 3.25Å | ||
| 1231 | I | 92.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 20.1 Ų | 20.1 | 24% | 0.236 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 134.8 | 176.5 | -65.5 | 164.9 | 0 | 0 | 0 | 109.5 | I1211 E1225 T1226 Y1229 | I1211-I1231 HydrophobicContact CG1-CG1 4.07Å; E1225-I1231 HydrophobicContact CB-CB 4.28Å; E1225-I1231 HydrophobicContact CB-CD1 4.49Å; E1225-I1231 HydrophobicContact CG-CB 4.14Å; E1225-I1231 HydrophobicContact CG-CG2 4.13Å; E1225-I1231 PolarHBondContact O-N 3.06Å; T1226-I1231 VanDerWaalsContact CA-O 3.25Å; T1226-I1231 WeakPolarHBondContact CA-O 3.34Å; T1226-I1231 VanDerWaalsContact CB-O 3.26Å; T1226-I1231 WeakPolarHBondContact CB-O 3.34Å; T1226-I1231 WeakPolarHBondContact CG2-O 3Å; T1226-I1231 PolarHBondContact OG1-O 3.19Å; Y1229-I1231 VanDerWaalsContact C-N 3.28Å; Y1229-I1231 HydrophobicContact CD2-CD1 4.09Å; Y1229-I1231 HydrophobicContact CG-CD1 4.29Å |
| 1232 | Y | 93.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 2% | 0.024 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 136.3 | 169.7 | -73.7 | -90.1 | 0 | 0 | 0 | 109.5 | R1176 S1209 V1210 V1212 V1217 L1222 T1226 G1230 T1236 | R1176-Y1232 HydrophobicContact CB-CD1 3.75Å; R1176-Y1232 HydrophobicContact CB-CE1 3.71Å; R1176-Y1232 HydrophobicContact CG-CD1 3.44Å; R1176-Y1232 VanDerWaalsContact CG-CD1 3.44Å; R1176-Y1232 HydrophobicContact CG-CE1 3.91Å; R1176-Y1232 HydrophobicContact CG-CG 3.85Å; R1176-Y1232 VanDerWaalsContact NE-CD2 3.25Å; R1176-Y1232 VanDerWaalsContact NE-CE2 3.35Å; R1176-Y1232 PolarHBondContact NH2-OH 2.93Å; R1176-Y1232 VanDerWaalsContact NH2-OH 3.15Å; S1209-Y1232 CarbonylContact C-O 3.6Å; S1209-Y1232 WeakPolarHBondContact CA-O 3.47Å; S1209-Y1232 VanDerWaalsContact CB-O 3.32Å; S1209-Y1232 WeakPolarHBondContact CB-O 3.44Å; V1210-Y1232 PolarHBondContact N-O 3.28Å; V1210-Y1232 PolarHBondContact O-N 2.93Å; V1212-Y1232 HydrophobicContact CB-CD2 4.03Å; V1212-Y1232 HydrophobicContact CB-CE2 3.95Å; V1212-Y1232 HydrophobicContact CG2-CD2 4.08Å; V1212-Y1232 HydrophobicContact CG2-CE2 4.42Å; V1217-Y1232 WeakPolarHBondContact CG1-OH 3.09Å; L1222-Y1232 HydrophobicContact CD2-CE1 4.06Å; T1226-Y1232 HydrophobicContact CG2-CD1 3.96Å; T1226-Y1232 HydrophobicContact CG2-CD2 3.89Å; T1226-Y1232 HydrophobicContact CG2-CE1 3.54Å; T1226-Y1232 HydrophobicContact CG2-CE2 3.42Å; T1226-Y1232 VanDerWaalsContact CG2-CE2 3.42Å; T1226-Y1232 HydrophobicContact CG2-CG 4.15Å; G1230-Y1232 WeakPolarHBondContact O-CD2 3.25Å; Y1232-T1236 WeakPolarHBondContact CA-OG1 2.91Å |
| 1233 | S | 94.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 18.2 Ų | 18.2 | 6% | 0.056 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 173.4 | 176.6 | 67.9 | 0 | 0 | 0 | 0 | 109.8 | D1208 K1235 T1236 D1237 | D1208-S1233 VanDerWaalsContact O-CB 3.24Å; D1208-S1233 WeakPolarHBondContact O-CB 3.38Å; S1233-K1235 PolarHBondContact O-N 3.47Å; S1233-K1235 PolarHBondContact OG-N 3.41Å; S1233-T1236 PolarHBondContact N-OG1 3.23Å; S1233-T1236 WeakPolarHBondContact O-CA 3.45Å; S1233-T1236 WeakPolarHBondContact O-CB 3.45Å; S1233-T1236 PolarHBondContact O-N 3.42Å; S1233-T1236 PolarHBondContact O-OG1 2.78Å; S1233-T1236 PolarHBondContact OG-N 2.84Å; S1233-D1237 PolarHBondContact O-N 3.33Å; S1233-D1237 VanDerWaalsContact O-N 3.13Å |
| 1234 | H | 95.1 | Very high | 95 | Very high | 22 Ų | 22 | 18.1 Ų | 18.1 | 10% | 0.102 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.2 | -32 | 171 | -59.2 | -54.9 | 0 | 0 | 0 | 112 | E1169 I1173 L1202 T1236 D1237 V1238 | E1169-H1234 HydrophobicContact CG-CB 4.1Å; I1173-H1234 PolarHBondContact O-CE1 2.95Å; I1173-H1234 VanDerWaalsContact O-CE1 3.28Å; I1173-H1234 PolarHBondContact O-ND1 3.36Å; L1202-H1234 WeakPolarHBondContact CD1-NE2 3.45Å; H1234-T1236 VanDerWaalsContact C-N 3.29Å; H1234-T1236 PolarHBondContact O-N 3.38Å; H1234-D1237 WeakPolarHBondContact O-CB 3.5Å; H1234-D1237 PolarHBondContact O-N 2.71Å; H1234-D1237 VanDerWaalsContact O-N 3.16Å; H1234-V1238 WeakPolarHBondContact O-CG2 3.45Å; H1234-V1238 PolarHBondContact O-N 2.79Å |
| 1235 | K | 96.9 | Very high | 95.2 | Very high | 32 Ų | 32 | 17.9 Ų | 17.9 | 14% | 0.139 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.8 | -23.2 | 173 | -55.7 | -68.5 | -159.3 | 168 | 0 | 113.3 | S1233 W1239 Y1296 E1297 R1299 | S1233-K1235 PolarHBondContact O-N 3.47Å; S1233-K1235 PolarHBondContact OG-N 3.41Å; K1235-W1239 PolarHBondContact O-N 3.22Å; K1235-Y1296 HydrophobicContact CB-CD2 4.17Å; K1235-Y1296 VanDerWaalsContact CD-O 3.29Å; K1235-Y1296 WeakPolarHBondContact CD-O 3.41Å; K1235-Y1296 HydrophobicContact CG-CD2 4.13Å; K1235-Y1296 WeakPolarHBondContact CG-O 3.01Å; K1235-E1297 PolarHBondContact NZ-O 2.89Å; K1235-R1299 HydrophobicContact CD-CB 4.39Å; K1235-R1299 PolarHBondContact NZ-O 3.39Å; K1235-R1299 WeakPolarHBondContact O-CD 3.41Å; K1235-R1299 PolarHBondContact O-NH1 2.76Å |
| 1236 | T | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -76.5 | -35.7 | 168.6 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | A1223 E1225 T1226 Y1232 S1233 H1234 V1238 W1239 S1240 | A1223-T1236 HydrophobicContact CB-CG2 3.93Å; E1225-T1236 HydrophobicContact CG-CG2 3.83Å; E1225-T1236 VanDerWaalsContact OE1-CG2 3.24Å; E1225-T1236 WeakPolarHBondContact OE1-CG2 3.4Å; T1226-T1236 WeakPolarHBondContact OG1-CG2 3.26Å; Y1232-T1236 WeakPolarHBondContact CA-OG1 2.91Å; S1233-T1236 PolarHBondContact N-OG1 3.23Å; S1233-T1236 WeakPolarHBondContact O-CA 3.45Å; S1233-T1236 WeakPolarHBondContact O-CB 3.45Å; S1233-T1236 PolarHBondContact O-N 3.42Å; S1233-T1236 PolarHBondContact O-OG1 2.78Å; S1233-T1236 PolarHBondContact OG-N 2.84Å; H1234-T1236 VanDerWaalsContact C-N 3.29Å; H1234-T1236 PolarHBondContact O-N 3.38Å; T1236-V1238 VanDerWaalsContact C-N 3.27Å; T1236-V1238 PolarHBondContact O-N 3.09Å; T1236-W1239 WeakPolarHBondContact O-CB 3.35Å; T1236-W1239 PolarHBondContact O-N 2.76Å; T1236-S1240 PolarHBondContact O-N 2.81Å; T1236-S1240 PolarHBondContact O-OG 2.96Å |
| 1237 | D | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | 171.3 | -66.2 | -31.4 | 0 | 0 | 0 | 111 | M1165 I1174 H1175 R1176 S1233 H1234 W1239 S1240 Y1241 F1302 | M1165-D1237 HydrophobicContact CE-CB 3.62Å; I1174-D1237 WeakPolarHBondContact CA-OD2 3.43Å; I1174-D1237 WeakPolarHBondContact CG2-OD1 3.22Å; I1174-D1237 VanDerWaalsContact CG2-OD2 3.23Å; I1174-D1237 WeakPolarHBondContact CG2-OD2 3.29Å; H1175-D1237 VanDerWaalsContact N-CG 3.3Å; H1175-D1237 PolarHBondContact N-OD1 2.97Å; H1175-D1237 PolarHBondContact N-OD2 3.08Å; R1176-D1237 PolarHBondContact N-OD1 3.18Å; S1233-D1237 PolarHBondContact O-N 3.33Å; S1233-D1237 VanDerWaalsContact O-N 3.13Å; H1234-D1237 WeakPolarHBondContact O-CB 3.5Å; H1234-D1237 PolarHBondContact O-N 2.71Å; H1234-D1237 VanDerWaalsContact O-N 3.16Å; D1237-W1239 VanDerWaalsContact C-N 3.31Å; D1237-W1239 PolarHBondContact O-N 3.39Å; D1237-S1240 CarbonylContact O-C 3.58Å; D1237-S1240 PolarHBondContact O-N 2.83Å; D1237-Y1241 WeakPolarHBondContact O-CB 3.23Å; D1237-Y1241 PolarHBondContact O-N 3.06Å; D1237-F1302 HydrophobicContact CB-CE2 3.94Å; D1237-F1302 HydrophobicContact CB-CZ 3.84Å |
| 1238 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 172.8 | 167 | 0 | 0 | 0 | 0 | 110.9 | H1234 T1236 Y1241 G1242 C1291 R1299 P1300 F1302 L1305 | H1234-V1238 WeakPolarHBondContact O-CG2 3.45Å; H1234-V1238 PolarHBondContact O-N 2.79Å; T1236-V1238 VanDerWaalsContact C-N 3.27Å; T1236-V1238 PolarHBondContact O-N 3.09Å; V1238-Y1241 WeakPolarHBondContact O-CB 3.46Å; V1238-Y1241 PolarHBondContact O-N 3.21Å; V1238-G1242 PolarHBondContact O-N 2.99Å; V1238-C1291 HydrophobicContact CG1-CB 3.93Å; V1238-C1291 VanDerWaalsContact O-CB 3.27Å; V1238-C1291 WeakPolarHBondContact O-CB 3.28Å; V1238-R1299 HydrophobicContact CG1-CB 3.9Å; V1238-P1300 HydrophobicContact CG1-CG 4.26Å; V1238-P1300 WeakPolarHBondContact CG2-O 3.42Å; V1238-F1302 HydrophobicContact CB-CZ 4.28Å; V1238-F1302 HydrophobicContact CG2-CD1 4.32Å; V1238-F1302 HydrophobicContact CG2-CD2 3.92Å; V1238-F1302 HydrophobicContact CG2-CE1 3.96Å; V1238-F1302 HydrophobicContact CG2-CE2 3.53Å; V1238-F1302 HydrophobicContact CG2-CG 4.31Å; V1238-F1302 HydrophobicContact CG2-CZ 3.56Å; V1238-L1305 HydrophobicContact CG1-CD1 4.11Å; V1238-L1305 HydrophobicContact CG2-CD1 4.23Å |
| 1239 | W | 98 | Very high | 95.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 171.9 | 179.6 | -66 | 0 | 0 | 0 | 111.5 | L1222 A1223 I1224 K1235 T1236 D1237 Y1241 G1242 V1243 V1268 R1273 C1291 W1292 | L1222-W1239 PolarHBondContact O-NE1 3.15Å; A1223-W1239 HydrophobicContact CB-CB 3.74Å; A1223-W1239 HydrophobicContact CB-CD2 3.87Å; A1223-W1239 HydrophobicContact CB-CE3 4.06Å; A1223-W1239 HydrophobicContact CB-CG 3.71Å; I1224-W1239 HydrophobicContact CB-CZ3 4.5Å; I1224-W1239 HydrophobicContact CD1-CH2 3.75Å; I1224-W1239 HydrophobicContact CD1-CZ3 3.93Å; I1224-W1239 HydrophobicContact CG1-CH2 3.66Å; I1224-W1239 HydrophobicContact CG1-CZ3 3.92Å; K1235-W1239 PolarHBondContact O-N 3.22Å; T1236-W1239 WeakPolarHBondContact O-CB 3.35Å; T1236-W1239 PolarHBondContact O-N 2.76Å; D1237-W1239 VanDerWaalsContact C-N 3.31Å; D1237-W1239 PolarHBondContact O-N 3.39Å; W1239-Y1241 VanDerWaalsContact C-N 3.27Å; W1239-Y1241 PolarHBondContact O-N 3.13Å; W1239-G1242 WeakPolarHBondContact O-CA 3.49Å; W1239-G1242 PolarHBondContact O-N 3.22Å; W1239-G1242 VanDerWaalsContact O-N 3.08Å; W1239-V1243 PolarHBondContact O-N 3.16Å; W1239-V1268 HydrophobicContact CH2-CG1 3.66Å; W1239-V1268 HydrophobicContact CZ2-CG1 3.49Å; W1239-V1268 VanDerWaalsContact CZ2-CG1 3.49Å; W1239-R1273 VanDerWaalsContact CH2-CZ 3.5Å; W1239-C1291 WeakPolarHBondContact CA-O 3.38Å; W1239-W1292 AromaticContact CD1-CD1 3.87Å; W1239-W1292 HydrophobicContact CD2-CB 4.19Å; W1239-W1292 AromaticContact CD2-CD1 3.64Å; W1239-W1292 HydrophobicContact CD2-CG 4.26Å; W1239-W1292 AromaticContact CE2-CD1 3.73Å; W1239-W1292 VanDerWaalsContact CE3-CA 3.47Å; W1239-W1292 HydrophobicContact CE3-CB 3.99Å; W1239-W1292 AromaticContact CG-CD1 3.71Å; W1239-W1292 HydrophobicContact CH2-CB 4.05Å; W1239-W1292 HydrophobicContact CZ2-CB 4.25Å; W1239-W1292 HydrophobicContact CZ2-CG 4.46Å; W1239-W1292 HydrophobicContact CZ3-CB 3.93Å; W1239-W1292 VanDerWaalsContact CZ3-O 3.3Å; W1239-W1292 WeakPolarHBondContact CZ3-O 3.21Å; W1239-W1292 AromaticContact NE1-CD1 3.85Å; W1239-W1292 PolarHBondContact O-NE1 3.3Å |
| 1240 | S | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.3 | -32 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | L1178 W1221 T1236 D1237 V1243 T1244 | L1178-S1240 WeakPolarHBondContact O-CB 3.34Å; W1221-S1240 PolarHBondContact O-OG 2.98Å; T1236-S1240 PolarHBondContact O-N 2.81Å; T1236-S1240 PolarHBondContact O-OG 2.96Å; D1237-S1240 CarbonylContact O-C 3.58Å; D1237-S1240 PolarHBondContact O-N 2.83Å; S1240-V1243 CarbonylContact O-C 3.55Å; S1240-V1243 PolarHBondContact O-N 2.59Å; S1240-T1244 WeakPolarHBondContact O-CB 3.41Å; S1240-T1244 PolarHBondContact O-N 3.28Å; S1240-T1244 PolarHBondContact O-OG1 3.38Å |
| 1241 | Y | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 169.7 | 171 | -90 | 0 | 0 | 0 | 110.7 | A1158 I1161 A1162 L1178 D1237 V1238 W1239 V1243 T1244 L1245 F1302 L1305 F1309 | A1158-Y1241 PolarHBondContact O-OH 2.92Å; I1161-Y1241 HydrophobicContact CB-CD2 4.48Å; I1161-Y1241 HydrophobicContact CB-CE2 4.12Å; I1161-Y1241 HydrophobicContact CG2-CD2 3.74Å; I1161-Y1241 HydrophobicContact CG2-CE2 3.88Å; A1162-Y1241 HydrophobicContact CB-CE2 3.87Å; L1178-Y1241 HydrophobicContact CD2-CD2 4.19Å; L1178-Y1241 HydrophobicContact CD2-CG 4.44Å; D1237-Y1241 WeakPolarHBondContact O-CB 3.23Å; D1237-Y1241 PolarHBondContact O-N 3.06Å; V1238-Y1241 WeakPolarHBondContact O-CB 3.46Å; V1238-Y1241 PolarHBondContact O-N 3.21Å; W1239-Y1241 VanDerWaalsContact C-N 3.27Å; W1239-Y1241 PolarHBondContact O-N 3.13Å; Y1241-V1243 VanDerWaalsContact C-N 3.25Å; Y1241-V1243 PolarHBondContact O-N 2.9Å; Y1241-T1244 WeakPolarHBondContact O-CB 3.49Å; Y1241-T1244 PolarHBondContact O-N 2.89Å; Y1241-T1244 VanDerWaalsContact O-N 3.08Å; Y1241-L1245 HydrophobicContact CD1-CD1 4.22Å; Y1241-L1245 HydrophobicContact CD1-CG 4.14Å; Y1241-L1245 HydrophobicContact CE1-CD1 3.44Å; Y1241-L1245 VanDerWaalsContact CE1-CD1 3.44Å; Y1241-L1245 HydrophobicContact CE1-CD2 4.32Å; Y1241-L1245 HydrophobicContact CE1-CG 3.76Å; Y1241-L1245 HydrophobicContact CE2-CD2 4.01Å; Y1241-L1245 HydrophobicContact CE2-CG 4.3Å; Y1241-L1245 WeakPolarHBondContact O-CG 3.42Å; Y1241-L1245 PolarHBondContact O-N 3Å; Y1241-F1302 AromaticContact CD2-CE1 3.95Å; Y1241-F1302 HydrophobicContact CD2-CE1 3.95Å; Y1241-F1302 AromaticContact CG-CE1 3.85Å; Y1241-F1302 HydrophobicContact CG-CE1 3.85Å; Y1241-L1305 HydrophobicContact CD1-CD1 3.71Å; Y1241-L1305 HydrophobicContact CD1-CD2 4.5Å; Y1241-L1305 HydrophobicContact CE1-CB 4.28Å; Y1241-L1305 HydrophobicContact CE1-CD1 3.74Å; Y1241-L1305 HydrophobicContact CE1-CD2 3.95Å; Y1241-L1305 HydrophobicContact CE1-CG 4.21Å; Y1241-L1305 HydrophobicContact CG-CD1 4.39Å; Y1241-F1309 AromaticContact CE1-CE2 3.98Å; Y1241-F1309 HydrophobicContact CE1-CE2 3.98Å; Y1241-F1309 WeakPolarHBondContact OH-CD2 3.38Å; Y1241-F1309 WeakPolarHBondContact OH-CE2 3.44Å |
| 1242 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -54.9 | -41.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1238 W1239 W1246 L1288 W1292 | V1238-G1242 PolarHBondContact O-N 2.99Å; W1239-G1242 WeakPolarHBondContact O-CA 3.49Å; W1239-G1242 PolarHBondContact O-N 3.22Å; W1239-G1242 VanDerWaalsContact O-N 3.08Å; G1242-W1246 PolarHBondContact O-N 3.37Å; G1242-L1288 WeakPolarHBondContact O-CD2 3.44Å; G1242-L1288 WeakPolarHBondContact O-CG 3.35Å; G1242-W1292 VanDerWaalsContact C-CZ2 3.46Å; G1242-W1292 VanDerWaalsContact O-CZ2 3.27Å; G1242-W1292 WeakPolarHBondContact O-CZ2 3.37Å |
| 1243 | V | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -70.6 | -37 | 175.4 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | W1221 W1239 S1240 Y1241 L1245 W1246 E1247 P1255 L1274 W1292 | W1221-V1243 HydrophobicContact CB-CG1 4.37Å; W1221-V1243 HydrophobicContact CD2-CG1 4.38Å; W1221-V1243 HydrophobicContact CG-CB 4.31Å; W1221-V1243 HydrophobicContact CG-CG1 3.78Å; W1239-V1243 PolarHBondContact O-N 3.16Å; S1240-V1243 CarbonylContact O-C 3.55Å; S1240-V1243 PolarHBondContact O-N 2.59Å; Y1241-V1243 VanDerWaalsContact C-N 3.25Å; Y1241-V1243 PolarHBondContact O-N 2.9Å; V1243-L1245 VanDerWaalsContact C-N 3.33Å; V1243-L1245 PolarHBondContact O-N 2.65Å; V1243-W1246 WeakPolarHBondContact O-CA 3.45Å; V1243-W1246 WeakPolarHBondContact O-CB 3.31Å; V1243-W1246 PolarHBondContact O-N 3.38Å; V1243-W1246 VanDerWaalsContact O-N 3.1Å; V1243-E1247 PolarHBondContact O-N 2.98Å; V1243-P1255 HydrophobicContact CG1-CB 3.64Å; V1243-P1255 HydrophobicContact CG1-CG 3.59Å; V1243-L1274 HydrophobicContact CB-CD1 4.13Å; V1243-L1274 HydrophobicContact CG1-CD1 3.76Å; V1243-L1274 HydrophobicContact CG2-CD1 3.82Å; V1243-W1292 HydrophobicContact CG2-CZ2 4.29Å |
| 1244 | T | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60 | -45.3 | 173.9 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | I1161 L1178 A1179 S1240 Y1241 W1246 E1247 I1248 | I1161-T1244 HydrophobicContact CD1-CG2 4.26Å; L1178-T1244 PolarHBondContact O-OG1 2.93Å; L1178-T1244 VanDerWaalsContact O-OG1 3.04Å; A1179-T1244 WeakPolarHBondContact CA-OG1 2.97Å; A1179-T1244 PolarHBondContact N-OG1 3.43Å; S1240-T1244 WeakPolarHBondContact O-CB 3.41Å; S1240-T1244 PolarHBondContact O-N 3.28Å; S1240-T1244 PolarHBondContact O-OG1 3.38Å; Y1241-T1244 WeakPolarHBondContact O-CB 3.49Å; Y1241-T1244 PolarHBondContact O-N 2.89Å; Y1241-T1244 VanDerWaalsContact O-N 3.08Å; T1244-W1246 VanDerWaalsContact C-N 3.31Å; T1244-W1246 PolarHBondContact O-N 3.11Å; T1244-E1247 WeakPolarHBondContact O-CB 3.19Å; T1244-E1247 PolarHBondContact O-N 3.34Å; T1244-I1248 HydrophobicContact CG2-CD1 3.86Å; T1244-I1248 VanDerWaalsContact O-CG1 3.23Å; T1244-I1248 WeakPolarHBondContact O-CG1 3.2Å; T1244-I1248 PolarHBondContact O-N 2.74Å |
| 1245 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 173.3 | -66.5 | -154.3 | 0 | 0 | 0 | 111.6 | A1158 Y1241 V1243 E1247 I1248 F1249 L1288 F1309 | A1158-L1245 HydrophobicContact CB-CD1 3.91Å; A1158-L1245 HydrophobicContact CB-CD2 3.47Å; A1158-L1245 VanDerWaalsContact CB-CD2 3.47Å; A1158-L1245 HydrophobicContact CB-CG 4.36Å; Y1241-L1245 HydrophobicContact CD1-CD1 4.22Å; Y1241-L1245 HydrophobicContact CD1-CG 4.14Å; Y1241-L1245 HydrophobicContact CE1-CD1 3.44Å; Y1241-L1245 VanDerWaalsContact CE1-CD1 3.44Å; Y1241-L1245 HydrophobicContact CE1-CD2 4.32Å; Y1241-L1245 HydrophobicContact CE1-CG 3.76Å; Y1241-L1245 HydrophobicContact CE2-CD2 4.01Å; Y1241-L1245 HydrophobicContact CE2-CG 4.3Å; Y1241-L1245 WeakPolarHBondContact O-CG 3.42Å; Y1241-L1245 PolarHBondContact O-N 3Å; V1243-L1245 VanDerWaalsContact C-N 3.33Å; V1243-L1245 PolarHBondContact O-N 2.65Å; L1245-E1247 PolarHBondContact O-N 2.92Å; L1245-I1248 HydrophobicContact CD2-CD1 4.07Å; L1245-I1248 PolarHBondContact O-N 3.39Å; L1245-F1249 HydrophobicContact CB-CD2 3.99Å; L1245-F1249 HydrophobicContact CB-CE2 3.6Å; L1245-F1249 HydrophobicContact CB-CZ 4.19Å; L1245-F1249 HydrophobicContact CD1-CE2 3.81Å; L1245-F1249 HydrophobicContact CD1-CZ 4.06Å; L1245-F1249 HydrophobicContact CD2-CZ 4.33Å; L1245-F1249 HydrophobicContact CG-CE2 4.19Å; L1245-F1249 HydrophobicContact CG-CZ 4.43Å; L1245-F1249 VanDerWaalsContact O-CB 3.28Å; L1245-F1249 WeakPolarHBondContact O-CB 3.19Å; L1245-F1249 WeakPolarHBondContact O-CD2 3.49Å; L1245-F1249 WeakPolarHBondContact O-CG 3.3Å; L1245-F1249 PolarHBondContact O-N 2.98Å; L1245-L1288 HydrophobicContact CB-CD1 3.83Å; L1245-L1288 HydrophobicContact CB-CD2 4.18Å; L1245-L1288 HydrophobicContact CB-CG 4.02Å; L1245-L1288 HydrophobicContact CD1-CD1 3.88Å; L1245-F1309 HydrophobicContact CD1-CD2 4.47Å; L1245-F1309 HydrophobicContact CD1-CE1 3.84Å; L1245-F1309 HydrophobicContact CD1-CE2 3.54Å; L1245-F1309 HydrophobicContact CD1-CZ 3.17Å |
| 1246 | W | 97.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 14.7 Ų | 14.7 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 174.1 | -170.3 | 91.8 | 0 | 0 | 0 | 112.3 | G1242 V1243 T1244 T1250 K1253 R1254 P1255 L1274 T1275 P1277 L1288 W1292 | G1242-W1246 PolarHBondContact O-N 3.37Å; V1243-W1246 WeakPolarHBondContact O-CA 3.45Å; V1243-W1246 WeakPolarHBondContact O-CB 3.31Å; V1243-W1246 PolarHBondContact O-N 3.38Å; V1243-W1246 VanDerWaalsContact O-N 3.1Å; T1244-W1246 VanDerWaalsContact C-N 3.31Å; T1244-W1246 PolarHBondContact O-N 3.11Å; W1246-T1250 HydrophobicContact CD2-CG2 3.82Å; W1246-T1250 HydrophobicContact CE3-CG2 4.05Å; W1246-T1250 HydrophobicContact CG-CG2 4.48Å; W1246-T1250 HydrophobicContact CH2-CG2 3.94Å; W1246-T1250 HydrophobicContact CZ2-CG2 3.69Å; W1246-T1250 HydrophobicContact CZ3-CG2 4.08Å; W1246-T1250 WeakPolarHBondContact O-CB 3.26Å; W1246-T1250 WeakPolarHBondContact O-CG2 2.96Å; W1246-T1250 PolarHBondContact O-N 3.03Å; W1246-T1250 PolarHBondContact O-OG1 2.81Å; W1246-K1253 HydrophobicContact CH2-CB 3.78Å; W1246-K1253 HydrophobicContact CZ3-CB 3.84Å; W1246-K1253 WeakPolarHBondContact CZ3-O 3.43Å; W1246-R1254 WeakPolarHBondContact CH2-O 3.26Å; W1246-R1254 WeakPolarHBondContact CZ3-O 3.45Å; W1246-P1255 HydrophobicContact CE3-CB 4.08Å; W1246-P1255 HydrophobicContact CE3-CG 3.95Å; W1246-P1255 VanDerWaalsContact CZ3-CA 3.44Å; W1246-P1255 HydrophobicContact CZ3-CB 4.15Å; W1246-P1255 HydrophobicContact CZ3-CG 4.11Å; W1246-L1274 HydrophobicContact CB-CD1 3.75Å; W1246-L1274 HydrophobicContact CD2-CB 4.07Å; W1246-L1274 HydrophobicContact CD2-CD1 3.86Å; W1246-L1274 HydrophobicContact CD2-CD2 4.23Å; W1246-L1274 HydrophobicContact CD2-CG 4.28Å; W1246-L1274 HydrophobicContact CE3-CD1 4.27Å; W1246-L1274 HydrophobicContact CE3-CD2 4.43Å; W1246-L1274 HydrophobicContact CG-CB 3.87Å; W1246-L1274 HydrophobicContact CG-CD1 3.61Å; W1246-L1274 HydrophobicContact CG-CG 4.25Å; W1246-L1274 HydrophobicContact CZ2-CD2 4.36Å; W1246-T1275 VanDerWaalsContact CD1-O 3.25Å; W1246-T1275 PolarHBondContact NE1-O 3.18Å; W1246-P1277 VanDerWaalsContact CD1-CG 3.41Å; W1246-P1277 HydrophobicContact CG-CG 4.07Å; W1246-L1288 HydrophobicContact CB-CD2 3.88Å; W1246-W1292 HydrophobicContact CB-CH2 4.24Å; W1246-W1292 HydrophobicContact CB-CZ2 4.14Å; W1246-W1292 AromaticContact CD1-CH2 3.99Å; W1246-W1292 HydrophobicContact CG-CH2 4.4Å |
| 1247 | E | 96.5 | Very high | 95 | Very high | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.028 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.3 | -53.1 | 172.3 | -69.4 | 174.2 | 99.7 | 0 | 0 | 110.9 | A1179 A1180 W1221 V1243 T1244 L1245 F1249 T1250 F1251 G1252 P1255 | A1179-E1247 WeakPolarHBondContact CA-OE2 3.49Å; A1180-E1247 HydrophobicContact CB-CB 3.59Å; A1180-E1247 HydrophobicContact CB-CG 4.3Å; A1180-E1247 PolarHBondContact N-OE2 3.31Å; W1221-E1247 WeakPolarHBondContact CZ2-OE1 3.34Å; W1221-E1247 VanDerWaalsContact NE1-CD 3.3Å; W1221-E1247 PolarHBondContact NE1-OE2 2.76Å; V1243-E1247 PolarHBondContact O-N 2.98Å; T1244-E1247 WeakPolarHBondContact O-CB 3.19Å; T1244-E1247 PolarHBondContact O-N 3.34Å; L1245-E1247 PolarHBondContact O-N 2.92Å; E1247-F1249 VanDerWaalsContact C-N 3.26Å; E1247-F1249 PolarHBondContact O-N 3.21Å; E1247-T1250 PolarHBondContact O-N 2.9Å; E1247-T1250 VanDerWaalsContact O-N 3.09Å; E1247-T1250 PolarHBondContact O-OG1 3.14Å; E1247-F1251 PolarHBondContact O-N 3.41Å; E1247-G1252 WeakPolarHBondContact O-CA 3.34Å; E1247-G1252 PolarHBondContact O-N 3.07Å; E1247-P1255 HydrophobicContact CG-CG 3.61Å |
| 1248 | I | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.1 | -46.2 | -179.9 | -68 | 165.7 | 0 | 0 | 0 | 110.4 | L1138 L1154 W1157 I1161 A1180 T1244 L1245 T1250 F1251 | L1138-I1248 HydrophobicContact CD2-CD1 3.56Å; L1138-I1248 HydrophobicContact CD2-CG1 3.72Å; L1138-I1248 HydrophobicContact CG-CD1 4.48Å; L1138-I1248 HydrophobicContact CG-CG1 4.11Å; L1154-I1248 HydrophobicContact CB-CG2 3.83Å; L1154-I1248 HydrophobicContact CD2-CG2 3.71Å; L1154-I1248 HydrophobicContact CG-CG2 4.22Å; W1157-I1248 HydrophobicContact CE3-CG2 4.13Å; I1161-I1248 HydrophobicContact CD1-CD1 3.58Å; A1180-I1248 HydrophobicContact CB-CG1 4.08Å; T1244-I1248 HydrophobicContact CG2-CD1 3.86Å; T1244-I1248 VanDerWaalsContact O-CG1 3.23Å; T1244-I1248 WeakPolarHBondContact O-CG1 3.2Å; T1244-I1248 PolarHBondContact O-N 2.74Å; L1245-I1248 HydrophobicContact CD2-CD1 4.07Å; L1245-I1248 PolarHBondContact O-N 3.39Å; I1248-T1250 VanDerWaalsContact C-N 3.35Å; I1248-T1250 PolarHBondContact O-N 3.36Å; I1248-F1251 PolarHBondContact O-N 2.86Å |
| 1249 | F | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -83.3 | -5.2 | -177.2 | -52.2 | -32.7 | 0 | 0 | 0 | 114.5 | L1154 L1155 A1158 L1245 E1247 P1277 I1279 C1280 V1284 L1288 F1309 L1320 | L1154-F1249 HydrophobicContact CB-CD1 3.79Å; L1154-F1249 HydrophobicContact CB-CE1 3.65Å; L1154-F1249 HydrophobicContact CD1-CD1 4.19Å; L1154-F1249 WeakPolarHBondContact O-CE1 2.95Å; L1155-F1249 HydrophobicContact CD2-CZ 4.22Å; A1158-F1249 HydrophobicContact CB-CZ 4.04Å; L1245-F1249 HydrophobicContact CB-CD2 3.99Å; L1245-F1249 HydrophobicContact CB-CE2 3.6Å; L1245-F1249 HydrophobicContact CB-CZ 4.19Å; L1245-F1249 HydrophobicContact CD1-CE2 3.81Å; L1245-F1249 HydrophobicContact CD1-CZ 4.06Å; L1245-F1249 HydrophobicContact CD2-CZ 4.33Å; L1245-F1249 HydrophobicContact CG-CE2 4.19Å; L1245-F1249 HydrophobicContact CG-CZ 4.43Å; L1245-F1249 VanDerWaalsContact O-CB 3.28Å; L1245-F1249 WeakPolarHBondContact O-CB 3.19Å; L1245-F1249 WeakPolarHBondContact O-CD2 3.49Å; L1245-F1249 WeakPolarHBondContact O-CG 3.3Å; L1245-F1249 PolarHBondContact O-N 2.98Å; E1247-F1249 VanDerWaalsContact C-N 3.26Å; E1247-F1249 PolarHBondContact O-N 3.21Å; F1249-P1277 HydrophobicContact CB-CB 3.83Å; F1249-P1277 HydrophobicContact CB-CG 3.96Å; F1249-P1277 VanDerWaalsContact O-CB 3.26Å; F1249-P1277 WeakPolarHBondContact O-CB 3.4Å; F1249-I1279 HydrophobicContact CB-CD1 4.09Å; F1249-I1279 HydrophobicContact CB-CG1 4.11Å; F1249-I1279 WeakPolarHBondContact O-CD1 3.38Å; F1249-I1279 WeakPolarHBondContact O-CG1 3.38Å; F1249-C1280 WeakPolarHBondContact CB-SG 3.42Å; F1249-C1280 WeakPolarHBondContact CD2-SG 3.34Å; F1249-C1280 VanDerWaalsContact CG-SG 3.6Å; F1249-V1284 HydrophobicContact CD2-CG1 3.73Å; F1249-V1284 HydrophobicContact CE2-CG1 3.2Å; F1249-V1284 HydrophobicContact CZ-CG1 3.93Å; F1249-L1288 HydrophobicContact CD2-CD1 4.23Å; F1249-L1288 HydrophobicContact CD2-CD2 4.49Å; F1249-L1288 HydrophobicContact CE2-CD1 3.95Å; F1249-F1309 HydrophobicContact CE2-CE1 4.4Å; F1249-F1309 HydrophobicContact CZ-CE1 4.11Å; F1249-L1320 HydrophobicContact CB-CD2 4.37Å; F1249-L1320 HydrophobicContact CD1-CD1 3.49Å; F1249-L1320 VanDerWaalsContact CD1-CD1 3.49Å; F1249-L1320 HydrophobicContact CD1-CD2 3.8Å; F1249-L1320 HydrophobicContact CD1-CG 4.32Å; F1249-L1320 HydrophobicContact CD2-CD2 4.1Å; F1249-L1320 HydrophobicContact CE1-CD1 3.47Å; F1249-L1320 VanDerWaalsContact CE1-CD1 3.47Å; F1249-L1320 HydrophobicContact CE1-CD2 4.07Å; F1249-L1320 HydrophobicContact CE1-CG 4.36Å; F1249-L1320 HydrophobicContact CE2-CD2 4.3Å; F1249-L1320 HydrophobicContact CG-CD1 4.35Å; F1249-L1320 HydrophobicContact CG-CD2 3.83Å; F1249-L1320 HydrophobicContact CZ-CD1 4.26Å; F1249-L1320 HydrophobicContact CZ-CD2 4.3Å |
| 1250 | T | 93.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 11 | 168.3 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | W1246 E1247 I1248 G1252 K1253 P1277 | W1246-T1250 HydrophobicContact CD2-CG2 3.82Å; W1246-T1250 HydrophobicContact CE3-CG2 4.05Å; W1246-T1250 HydrophobicContact CG-CG2 4.48Å; W1246-T1250 HydrophobicContact CH2-CG2 3.94Å; W1246-T1250 HydrophobicContact CZ2-CG2 3.69Å; W1246-T1250 HydrophobicContact CZ3-CG2 4.08Å; W1246-T1250 WeakPolarHBondContact O-CB 3.26Å; W1246-T1250 WeakPolarHBondContact O-CG2 2.96Å; W1246-T1250 PolarHBondContact O-N 3.03Å; W1246-T1250 PolarHBondContact O-OG1 2.81Å; E1247-T1250 PolarHBondContact O-N 2.9Å; E1247-T1250 VanDerWaalsContact O-N 3.09Å; E1247-T1250 PolarHBondContact O-OG1 3.14Å; I1248-T1250 VanDerWaalsContact C-N 3.35Å; I1248-T1250 PolarHBondContact O-N 3.36Å; T1250-G1252 PolarHBondContact O-N 3.14Å; T1250-K1253 HydrophobicContact CG2-CB 4.36Å; T1250-K1253 HydrophobicContact CG2-CD 4.11Å; T1250-K1253 PolarHBondContact O-N 2.84Å; T1250-K1253 PolarHBondContact OG1-N 2.87Å; T1250-P1277 HydrophobicContact CG2-CB 3.59Å; T1250-P1277 HydrophobicContact CG2-CG 3.97Å |
| 1251 | F | 91.7 | Very high | 93.1 | Very high | 45 Ų | 45 | 35 Ų | 35 | 20% | 0.197 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.8 | -169.5 | -54.2 | -65.7 | 0 | 0 | 0 | 112.5 | V1142 K1143 A1146 L1149 L1154 E1247 I1248 I1279 I1322 | V1142-F1251 WeakPolarHBondContact O-CB 3.11Å; K1143-F1251 WeakPolarHBondContact CG-O 3.46Å; A1146-F1251 HydrophobicContact CB-CB 3.79Å; A1146-F1251 HydrophobicContact CB-CD1 3.98Å; A1146-F1251 HydrophobicContact CB-CD2 4.41Å; A1146-F1251 HydrophobicContact CB-CG 3.81Å; L1149-F1251 HydrophobicContact CB-CD1 4.35Å; L1149-F1251 HydrophobicContact CB-CE1 3.75Å; L1149-F1251 HydrophobicContact CD1-CD1 4.4Å; L1154-F1251 HydrophobicContact CD1-CE1 3.94Å; L1154-F1251 HydrophobicContact CD1-CZ 4.48Å; E1247-F1251 PolarHBondContact O-N 3.41Å; I1248-F1251 PolarHBondContact O-N 2.86Å; F1251-I1279 HydrophobicContact CD2-CG2 4.48Å; F1251-I1279 HydrophobicContact CE1-CD1 4.28Å; F1251-I1279 HydrophobicContact CE2-CD1 4.18Å; F1251-I1279 HydrophobicContact CE2-CG2 3.52Å; F1251-I1279 HydrophobicContact CZ-CD1 3.82Å; F1251-I1279 HydrophobicContact CZ-CG2 3.93Å; F1251-I1322 HydrophobicContact CE1-CD1 4.26Å; F1251-I1322 HydrophobicContact CE2-CG2 4.49Å; F1251-I1322 HydrophobicContact CZ-CD1 3.92Å; F1251-I1322 HydrophobicContact CZ-CG1 3.99Å; F1251-I1322 HydrophobicContact CZ-CG2 3.78Å |
| 1252 | G | 89.1 | Confident | 92.5 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 82.3 | 26 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1142 K1143 E1247 T1250 | V1142-G1252 VanDerWaalsContact CG2-N 3.33Å; K1143-G1252 WeakPolarHBondContact CE-O 3.16Å; K1143-G1252 PolarHBondContact NZ-O 3.36Å; E1247-G1252 WeakPolarHBondContact O-CA 3.34Å; E1247-G1252 PolarHBondContact O-N 3.07Å; T1250-G1252 PolarHBondContact O-N 3.14Å |
| 1253 | K | 90.5 | Very high | 92.3 | Very high | 80 Ų | 80 | 44.8 Ų | 44.8 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -52.2 | 157.5 | 165 | -68.6 | -179.9 | -163.1 | -179.8 | 0 | 109.9 | W1246 T1250 P1255 D1278 | W1246-K1253 HydrophobicContact CH2-CB 3.78Å; W1246-K1253 HydrophobicContact CZ3-CB 3.84Å; W1246-K1253 WeakPolarHBondContact CZ3-O 3.43Å; T1250-K1253 HydrophobicContact CG2-CB 4.36Å; T1250-K1253 HydrophobicContact CG2-CD 4.11Å; T1250-K1253 PolarHBondContact O-N 2.84Å; T1250-K1253 PolarHBondContact OG1-N 2.87Å; K1253-P1255 WeakPolarHBondContact O-CD 3.38Å; K1253-D1278 IonicContact NZ-OD1 2.78Å; K1253-D1278 IonicContact NZ-OD2 2.71Å; K1253-D1278 PolarHBondContact NZ-OD2 2.69Å |
| 1254 | R | 90.2 | Very high | 91.9 | Very high | 133 Ų | 133 | 44.9 Ų | 44.9 | 50% | 0.502 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -77.9 | 126.7 | 179.8 | -167.6 | 178.3 | -169.7 | -180 | 1.7 | 109.8 | W1246 Y1256 E1257 | W1246-R1254 WeakPolarHBondContact CH2-O 3.26Å; W1246-R1254 WeakPolarHBondContact CZ3-O 3.45Å; R1254-Y1256 PolarHBondContact O-N 2.99Å; R1254-E1257 HydrophobicContact CB-CB 4.06Å; R1254-E1257 HydrophobicContact CB-CG 3.95Å; R1254-E1257 VanDerWaalsContact CB-OE2 3.32Å; R1254-E1257 WeakPolarHBondContact CB-OE2 3.4Å; R1254-E1257 PolarHBondContact N-OE2 2.81Å; R1254-E1257 WeakPolarHBondContact O-CB 3.15Å; R1254-E1257 PolarHBondContact O-N 3.15Å |
| 1255 | P | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 127.2 | 178.7 | -22.4 | 32.9 | 0 | 0 | 0 | 110.9 | R1220 W1221 V1243 W1246 E1247 K1253 L1274 | R1220-P1255 HydrophobicContact CB-CB 4.17Å; R1220-P1255 VanDerWaalsContact CD-O 3.23Å; R1220-P1255 WeakPolarHBondContact CD-O 2.95Å; R1220-P1255 WeakPolarHBondContact CG-O 3.39Å; R1220-P1255 PolarHBondContact NH1-O 3.22Å; W1221-P1255 HydrophobicContact CZ2-CG 3.84Å; V1243-P1255 HydrophobicContact CG1-CB 3.64Å; V1243-P1255 HydrophobicContact CG1-CG 3.59Å; W1246-P1255 HydrophobicContact CE3-CB 4.08Å; W1246-P1255 HydrophobicContact CE3-CG 3.95Å; W1246-P1255 VanDerWaalsContact CZ3-CA 3.44Å; W1246-P1255 HydrophobicContact CZ3-CB 4.15Å; W1246-P1255 HydrophobicContact CZ3-CG 4.11Å; E1247-P1255 HydrophobicContact CG-CG 3.61Å; K1253-P1255 WeakPolarHBondContact O-CD 3.38Å; P1255-L1274 HydrophobicContact CB-CD1 3.92Å; P1255-L1274 HydrophobicContact CB-CD2 3.65Å; P1255-L1274 HydrophobicContact CB-CG 4.46Å |
| 1256 | Y | 92.7 | Very high | 91.2 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 38.7 | -172.5 | -51.3 | -86 | 0 | 0 | 0 | 113.9 | R1220 R1254 D1258 V1259 I1264 H1267 V1268 R1273 L1274 | R1220-Y1256 HydrophobicContact CB-CD2 4.41Å; R1220-Y1256 PolarHBondContact NH1-O 2.94Å; R1220-Y1256 WeakPolarHBondContact O-CE2 3.29Å; R1254-Y1256 PolarHBondContact O-N 2.99Å; Y1256-D1258 VanDerWaalsContact C-N 3.27Å; Y1256-D1258 PolarHBondContact O-N 3.13Å; Y1256-D1258 VanDerWaalsContact O-N 3.15Å; Y1256-V1259 WeakPolarHBondContact O-CA 3.36Å; Y1256-V1259 PolarHBondContact O-N 3.34Å; Y1256-V1259 VanDerWaalsContact O-O 3.11Å; Y1256-I1264 HydrophobicContact CD2-CG2 4.15Å; Y1256-I1264 HydrophobicContact CE2-CG2 4.42Å; Y1256-H1267 AromaticContact CD1-CD2 3.59Å; Y1256-H1267 AromaticContact CD1-NE2 3.62Å; Y1256-H1267 AromaticContact CE1-CD2 3.64Å; Y1256-H1267 AromaticContact CE1-NE2 3.75Å; Y1256-V1268 HydrophobicContact CE1-CG2 3.78Å; Y1256-V1268 HydrophobicContact CE2-CG2 4.06Å; Y1256-V1268 WeakPolarHBondContact OH-CG2 3.36Å; Y1256-R1273 VanDerWaalsContact CE1-C 3.5Å; Y1256-L1274 HydrophobicContact CD1-CD2 3.73Å; Y1256-L1274 HydrophobicContact CD1-CG 4.36Å; Y1256-L1274 HydrophobicContact CD2-CD2 3.42Å; Y1256-L1274 VanDerWaalsContact CD2-CD2 3.42Å; Y1256-L1274 HydrophobicContact CD2-CG 4.14Å; Y1256-L1274 HydrophobicContact CE1-CD2 3.85Å; Y1256-L1274 HydrophobicContact CE1-CG 3.98Å; Y1256-L1274 HydrophobicContact CE2-CD1 4.24Å; Y1256-L1274 HydrophobicContact CE2-CD2 3.53Å; Y1256-L1274 HydrophobicContact CE2-CG 3.71Å; Y1256-L1274 HydrophobicContact CG-CD2 3.49Å; Y1256-L1274 VanDerWaalsContact CG-CD2 3.49Å; Y1256-L1274 HydrophobicContact CG-CG 4.43Å |
| 1257 | E | 87.4 | Confident | 90.8 | Very high | 112 Ų | 112 | 55 Ų | 55 | 52% | 0.523 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -43.1 | -171.7 | -162 | 154.1 | 162 | 0 | 0 | 114.4 | R1254 V1259 | R1254-E1257 HydrophobicContact CB-CB 4.06Å; R1254-E1257 HydrophobicContact CB-CG 3.95Å; R1254-E1257 VanDerWaalsContact CB-OE2 3.32Å; R1254-E1257 WeakPolarHBondContact CB-OE2 3.4Å; R1254-E1257 PolarHBondContact N-OE2 2.81Å; R1254-E1257 WeakPolarHBondContact O-CB 3.15Å; R1254-E1257 PolarHBondContact O-N 3.15Å; E1257-V1259 VanDerWaalsContact C-N 3.25Å; E1257-V1259 PolarHBondContact O-N 2.85Å |
| 1258 | D | 86.1 | Confident | 90.5 | Very high | 169 Ų | 169 | 54.8 Ų | 54.8 | 90% | 0.904 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -3.7 | 178.9 | -48.6 | -77.4 | 0 | 0 | 0 | 114.8 | Y1256 | Y1256-D1258 VanDerWaalsContact C-N 3.27Å; Y1256-D1258 PolarHBondContact O-N 3.13Å; Y1256-D1258 VanDerWaalsContact O-N 3.15Å |
| 1259 | V | 89.7 | Confident | 90.3 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -106.6 | 125.2 | 177.5 | -172.7 | 0 | 0 | 0 | 0 | 109 | R1220 Y1256 E1257 D1263 I1264 H1267 | R1220-V1259 PolarHBondContact NH1-O 3.48Å; R1220-V1259 PolarHBondContact NH2-O 2.86Å; Y1256-V1259 WeakPolarHBondContact O-CA 3.36Å; Y1256-V1259 PolarHBondContact O-N 3.34Å; Y1256-V1259 VanDerWaalsContact O-O 3.11Å; E1257-V1259 VanDerWaalsContact C-N 3.25Å; E1257-V1259 PolarHBondContact O-N 2.85Å; V1259-D1263 HydrophobicContact CG1-CB 3.93Å; V1259-I1264 HydrophobicContact CG1-CG1 4.34Å; V1259-H1267 HydrophobicContact CG1-CB 3.92Å |
| 1260 | D | 88.4 | Confident | 90.1 | Very high | 75 Ų | 75 | 64.7 Ų | 64.7 | 40% | 0.401 | 32% | 0.32 | S | S | . | . | trans | -65.1 | 151.4 | -180 | -114.4 | -56 | 0 | 0 | 0 | 112.5 | V1262 D1263 I1264 T1475 | D1260-V1262 HydrophobicContact CB-CG2 4.46Å; D1260-V1262 PolarHBondContact O-N 3.42Å; D1260-D1263 PolarHBondContact O-N 2.87Å; D1260-I1264 PolarHBondContact O-N 3.09Å; D1260-T1475 WeakPolarHBondContact OD2-CG2 3.1Å | ||
| 1261 | T | 87 | Confident | 89.7 | Confident | 51 Ų | 51 | 66.8 Ų | 66.8 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -17.9 | -164.9 | -49.5 | 0 | 0 | 0 | 0 | 113.3 | I1219 R1220 I1264 | I1219-T1261 HydrophobicContact CD1-CG2 4.24Å; R1220-T1261 PolarHBondContact NH2-OG1 3.08Å; T1261-I1264 HydrophobicContact CG2-CD1 3.9Å |
| 1262 | V | 86.7 | Confident | 89.4 | Confident | 121 Ų | 121 | 65.4 Ų | 65.4 | 73% | 0.733 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -34 | 171 | -68 | 0 | 0 | 0 | 0 | 112.5 | D1260 | D1260-V1262 HydrophobicContact CB-CG2 4.46Å; D1260-V1262 PolarHBondContact O-N 3.42Å |
| 1263 | D | 92.8 | Very high | 89.6 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 46% | 0.46 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -13.9 | -171.5 | -63.1 | -50.1 | 0 | 0 | 0 | 113.8 | V1259 D1260 K1265 D1266 H1267 | V1259-D1263 HydrophobicContact CG1-CB 3.93Å; D1260-D1263 PolarHBondContact O-N 2.87Å; D1263-K1265 PolarHBondContact O-N 2.84Å; D1263-D1266 PolarHBondContact O-N 3.18Å; D1263-H1267 WeakPolarHBondContact O-CB 3.29Å; D1263-H1267 PolarHBondContact O-N 2.04Å |
| 1264 | I | 89.4 | Confident | 89.8 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -50.4 | -44.5 | 177.7 | -58.9 | 153.4 | 0 | 0 | 0 | 111.4 | I1219 R1220 Y1256 V1259 D1260 T1261 D1266 H1267 V1268 | I1219-I1264 HydrophobicContact CB-CD1 4.22Å; I1219-I1264 HydrophobicContact CG2-CB 4.06Å; I1219-I1264 HydrophobicContact CG2-CD1 3.66Å; I1219-I1264 HydrophobicContact CG2-CG2 4.27Å; R1220-I1264 HydrophobicContact CB-CD1 4.37Å; R1220-I1264 HydrophobicContact CG-CD1 3.25Å; R1220-I1264 HydrophobicContact CG-CG1 4.21Å; Y1256-I1264 HydrophobicContact CD2-CG2 4.15Å; Y1256-I1264 HydrophobicContact CE2-CG2 4.42Å; V1259-I1264 HydrophobicContact CG1-CG1 4.34Å; D1260-I1264 PolarHBondContact O-N 3.09Å; T1261-I1264 HydrophobicContact CG2-CD1 3.9Å; I1264-D1266 VanDerWaalsContact C-N 3.32Å; I1264-D1266 PolarHBondContact O-N 3.25Å; I1264-H1267 PolarHBondContact O-N 2.94Å; I1264-V1268 HydrophobicContact CG2-CG2 3.9Å; I1264-V1268 VanDerWaalsContact O-CB 3.29Å; I1264-V1268 WeakPolarHBondContact O-CB 3.01Å; I1264-V1268 VanDerWaalsContact O-CG2 3.25Å; I1264-V1268 WeakPolarHBondContact O-CG2 3.39Å; I1264-V1268 PolarHBondContact O-N 3.18Å |
| 1265 | K | 90.3 | Very high | 89.7 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 37% | 0.37 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 179.9 | 170.2 | 166 | 173.8 | 161.1 | 0 | 110.6 | L1227 D1263 I1269 | L1227-K1265 HydrophobicContact CB-CG 4.34Å; L1227-K1265 HydrophobicContact CD2-CB 4.23Å; L1227-K1265 WeakPolarHBondContact O-CD 3.37Å; L1227-K1265 WeakPolarHBondContact O-CE 3.34Å; L1227-K1265 PolarHBondContact O-NZ 2.79Å; D1263-K1265 PolarHBondContact O-N 2.84Å; K1265-I1269 HydrophobicContact CD-CD1 4.39Å; K1265-I1269 HydrophobicContact CG-CD1 3.65Å; K1265-I1269 WeakPolarHBondContact O-CB 3.32Å; K1265-I1269 WeakPolarHBondContact O-CD1 3.26Å; K1265-I1269 WeakPolarHBondContact O-CG1 3.12Å; K1265-I1269 PolarHBondContact O-N 3.27Å |
| 1266 | D | 90.1 | Very high | 89.5 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | -178.5 | -103.8 | 46.7 | 0 | 0 | 0 | 111.7 | D1263 I1264 K1270 | D1263-D1266 PolarHBondContact O-N 3.18Å; I1264-D1266 VanDerWaalsContact C-N 3.32Å; I1264-D1266 PolarHBondContact O-N 3.25Å; D1266-K1270 VanDerWaalsContact O-CB 3.24Å; D1266-K1270 WeakPolarHBondContact O-CB 3.02Å; D1266-K1270 WeakPolarHBondContact O-CD 3.12Å; D1266-K1270 WeakPolarHBondContact O-CG 3.36Å; D1266-K1270 PolarHBondContact O-N 3.1Å; D1266-K1270 WeakPolarHBondContact OD2-CE 3.4Å; D1266-K1270 IonicContact OD2-NZ 3.93Å; D1266-K1270 PolarHBondContact OD2-NZ 3.08Å |
| 1267 | H | 90.4 | Very high | 89.5 | Confident | 63 Ų | 63 | 64 Ų | 64 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58 | -51.4 | 174.7 | 177.8 | 92.7 | 0 | 0 | 0 | 111.4 | Y1256 V1259 D1263 I1264 K1270 G1272 | Y1256-H1267 AromaticContact CD1-CD2 3.59Å; Y1256-H1267 AromaticContact CD1-NE2 3.62Å; Y1256-H1267 AromaticContact CE1-CD2 3.64Å; Y1256-H1267 AromaticContact CE1-NE2 3.75Å; V1259-H1267 HydrophobicContact CG1-CB 3.92Å; D1263-H1267 WeakPolarHBondContact O-CB 3.29Å; D1263-H1267 PolarHBondContact O-N 2.04Å; I1264-H1267 PolarHBondContact O-N 2.94Å; H1267-K1270 PolarHBondContact O-N 2.81Å; H1267-G1272 WeakPolarHBondContact NE2-CA 3.33Å; H1267-G1272 VanDerWaalsContact O-CA 3.25Å; H1267-G1272 WeakPolarHBondContact O-CA 3.03Å; H1267-G1272 PolarHBondContact O-N 2.9Å |
| 1268 | V | 90.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.8 | -39.9 | -177.4 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | I1224 L1227 W1239 Y1256 I1264 K1270 G1271 G1272 R1273 | I1224-V1268 HydrophobicContact CD1-CG1 4.3Å; I1224-V1268 HydrophobicContact CG1-CG1 3.7Å; L1227-V1268 HydrophobicContact CD1-CB 4.05Å; L1227-V1268 HydrophobicContact CD1-CG1 3.84Å; W1239-V1268 HydrophobicContact CH2-CG1 3.66Å; W1239-V1268 HydrophobicContact CZ2-CG1 3.49Å; W1239-V1268 VanDerWaalsContact CZ2-CG1 3.49Å; Y1256-V1268 HydrophobicContact CE1-CG2 3.78Å; Y1256-V1268 HydrophobicContact CE2-CG2 4.06Å; Y1256-V1268 WeakPolarHBondContact OH-CG2 3.36Å; I1264-V1268 HydrophobicContact CG2-CG2 3.9Å; I1264-V1268 VanDerWaalsContact O-CB 3.29Å; I1264-V1268 WeakPolarHBondContact O-CB 3.01Å; I1264-V1268 VanDerWaalsContact O-CG2 3.25Å; I1264-V1268 WeakPolarHBondContact O-CG2 3.39Å; I1264-V1268 PolarHBondContact O-N 3.18Å; V1268-K1270 VanDerWaalsContact C-N 3.34Å; V1268-G1271 PolarHBondContact O-N 3.15Å; V1268-G1272 WeakPolarHBondContact CA-O 3.44Å; V1268-R1273 PolarHBondContact O-NH1 3.18Å |
| 1269 | I | 90.8 | Very high | 89.3 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | 174.9 | -68.7 | 168.5 | 0 | 0 | 0 | 111.3 | Q1228 K1265 G1271 | Q1228-I1269 HydrophobicContact CG-CD1 3.51Å; Q1228-I1269 HydrophobicContact CG-CG1 3.99Å; K1265-I1269 HydrophobicContact CD-CD1 4.39Å; K1265-I1269 HydrophobicContact CG-CD1 3.65Å; K1265-I1269 WeakPolarHBondContact O-CB 3.32Å; K1265-I1269 WeakPolarHBondContact O-CD1 3.26Å; K1265-I1269 WeakPolarHBondContact O-CG1 3.12Å; K1265-I1269 PolarHBondContact O-N 3.27Å; I1269-G1271 PolarHBondContact O-N 2.9Å; I1269-G1271 VanDerWaalsContact O-N 3.1Å |
| 1270 | K | 90 | Very high | 89.1 | Confident | 154 Ų | 154 | 53.2 Ų | 53.2 | 67% | 0.67 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 13.3 | 174.2 | -67.9 | 163 | -161.9 | 169.1 | 0 | 113.5 | D1266 H1267 V1268 | D1266-K1270 VanDerWaalsContact O-CB 3.24Å; D1266-K1270 WeakPolarHBondContact O-CB 3.02Å; D1266-K1270 WeakPolarHBondContact O-CD 3.12Å; D1266-K1270 WeakPolarHBondContact O-CG 3.36Å; D1266-K1270 PolarHBondContact O-N 3.1Å; D1266-K1270 WeakPolarHBondContact OD2-CE 3.4Å; D1266-K1270 IonicContact OD2-NZ 3.93Å; D1266-K1270 PolarHBondContact OD2-NZ 3.08Å; H1267-K1270 PolarHBondContact O-N 2.81Å; V1268-K1270 VanDerWaalsContact C-N 3.34Å |
| 1271 | G | 86.4 | Confident | 89 | Confident | 51 Ų | 51 | 50 Ų | 50 | 53% | 0.526 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -0.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1268 I1269 | V1268-G1271 PolarHBondContact O-N 3.15Å; I1269-G1271 PolarHBondContact O-N 2.9Å; I1269-G1271 VanDerWaalsContact O-N 3.1Å |
| 1272 | G | 85.6 | Confident | 88.7 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | trans | -59.9 | 138.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1267 V1268 | H1267-G1272 WeakPolarHBondContact NE2-CA 3.33Å; H1267-G1272 VanDerWaalsContact O-CA 3.25Å; H1267-G1272 WeakPolarHBondContact O-CA 3.03Å; H1267-G1272 PolarHBondContact O-N 2.9Å; V1268-G1272 WeakPolarHBondContact CA-O 3.44Å | ||
| 1273 | R | 93.4 | Very high | 88.7 | Confident | 50 Ų | 50 | 43.3 Ų | 43.3 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | trans | -137.7 | 160.3 | 178.3 | -65.1 | -62.6 | -178.9 | -85.9 | -0.6 | 108.1 | I1224 W1239 Y1256 V1268 T1275 W1292 | I1224-R1273 VanDerWaalsContact CD1-NH2 3.31Å; W1239-R1273 VanDerWaalsContact CH2-CZ 3.5Å; Y1256-R1273 VanDerWaalsContact CE1-C 3.5Å; V1268-R1273 PolarHBondContact O-NH1 3.18Å; R1273-T1275 PolarHBondContact O-N 3.47Å; R1273-W1292 HydrophobicContact CB-CE3 4.2Å; R1273-W1292 HydrophobicContact CG-CE3 4.47Å; R1273-W1292 PolarHBondContact NE-O 3.47Å; R1273-W1292 PolarHBondContact NH2-O 2.8Å | ||
| 1274 | L | 93.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 139.9 | 169.1 | -61.3 | 171 | 0 | 0 | 0 | 109.1 | V1243 W1246 P1255 Y1256 Y1285 W1292 | V1243-L1274 HydrophobicContact CB-CD1 4.13Å; V1243-L1274 HydrophobicContact CG1-CD1 3.76Å; V1243-L1274 HydrophobicContact CG2-CD1 3.82Å; W1246-L1274 HydrophobicContact CB-CD1 3.75Å; W1246-L1274 HydrophobicContact CD2-CB 4.07Å; W1246-L1274 HydrophobicContact CD2-CD1 3.86Å; W1246-L1274 HydrophobicContact CD2-CD2 4.23Å; W1246-L1274 HydrophobicContact CD2-CG 4.28Å; W1246-L1274 HydrophobicContact CE3-CD1 4.27Å; W1246-L1274 HydrophobicContact CE3-CD2 4.43Å; W1246-L1274 HydrophobicContact CG-CB 3.87Å; W1246-L1274 HydrophobicContact CG-CD1 3.61Å; W1246-L1274 HydrophobicContact CG-CG 4.25Å; W1246-L1274 HydrophobicContact CZ2-CD2 4.36Å; P1255-L1274 HydrophobicContact CB-CD1 3.92Å; P1255-L1274 HydrophobicContact CB-CD2 3.65Å; P1255-L1274 HydrophobicContact CB-CG 4.46Å; Y1256-L1274 HydrophobicContact CD1-CD2 3.73Å; Y1256-L1274 HydrophobicContact CD1-CG 4.36Å; Y1256-L1274 HydrophobicContact CD2-CD2 3.42Å; Y1256-L1274 VanDerWaalsContact CD2-CD2 3.42Å; Y1256-L1274 HydrophobicContact CD2-CG 4.14Å; Y1256-L1274 HydrophobicContact CE1-CD2 3.85Å; Y1256-L1274 HydrophobicContact CE1-CG 3.98Å; Y1256-L1274 HydrophobicContact CE2-CD1 4.24Å; Y1256-L1274 HydrophobicContact CE2-CD2 3.53Å; Y1256-L1274 HydrophobicContact CE2-CG 3.71Å; Y1256-L1274 HydrophobicContact CG-CD2 3.49Å; Y1256-L1274 VanDerWaalsContact CG-CD2 3.49Å; Y1256-L1274 HydrophobicContact CG-CG 4.43Å; L1274-Y1285 VanDerWaalsContact O-CE2 3.29Å; L1274-Y1285 WeakPolarHBondContact O-CE2 3.31Å; L1274-Y1285 PolarHBondContact O-OH 3.07Å; L1274-W1292 HydrophobicContact CB-CH2 3.66Å; L1274-W1292 HydrophobicContact CB-CZ2 4.26Å; L1274-W1292 HydrophobicContact CB-CZ3 4.07Å; L1274-W1292 HydrophobicContact CD1-CH2 3.96Å; L1274-W1292 HydrophobicContact CD1-CZ2 3.68Å; L1274-W1292 HydrophobicContact CG-CH2 4.26Å; L1274-W1292 HydrophobicContact CG-CZ2 4.37Å |
| 1275 | T | 88.4 | Confident | 88.7 | Confident | 100 Ų | 100 | 41 Ų | 41 | 61% | 0.613 | 22% | 0.217 | S | C | * | . | P | Polyproline II helix | trans | -63.6 | 166 | 177 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | W1246 R1273 P1277 Y1285 | W1246-T1275 VanDerWaalsContact CD1-O 3.25Å; W1246-T1275 PolarHBondContact NE1-O 3.18Å; R1273-T1275 PolarHBondContact O-N 3.47Å; T1275-P1277 VanDerWaalsContact O-CD 3.25Å; T1275-P1277 WeakPolarHBondContact O-CD 3.43Å; T1275-Y1285 VanDerWaalsContact C-CE2 3.46Å; T1275-Y1285 WeakPolarHBondContact O-CE2 3.15Å |
| 1276 | Q | 91.1 | Very high | 88.8 | Confident | 49 Ų | 49 | 37.8 Ų | 37.8 | 23% | 0.229 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 123.2 | 166.3 | -179.7 | -175.8 | -3.2 | 0 | 0 | 109.8 | C1280 L1282 Y1285 | Q1276-C1280 HydrophobicContact CG-CB 4.34Å; Q1276-C1280 VanDerWaalsContact CG-O 3.23Å; Q1276-C1280 WeakPolarHBondContact CG-O 3.4Å; Q1276-C1280 PolarHBondContact NE2-O 2.76Å; Q1276-L1282 HydrophobicContact CB-CD1 3.9Å; Q1276-L1282 VanDerWaalsContact CD-CD1 3.42Å; Q1276-L1282 HydrophobicContact CG-CB 4.16Å; Q1276-L1282 HydrophobicContact CG-CD1 3.72Å; Q1276-L1282 VanDerWaalsContact OE1-CD1 3.31Å; Q1276-Y1285 HydrophobicContact CB-CD2 4.23Å; Q1276-Y1285 HydrophobicContact CB-CE2 4.36Å; Q1276-Y1285 HydrophobicContact CB-CG 4.33Å; Q1276-Y1285 HydrophobicContact CG-CG 4.47Å |
| 1277 | P | 91.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 142.6 | 168.1 | -24.5 | 32.5 | 0 | 0 | 0 | 111 | W1246 F1249 T1250 T1275 I1279 C1280 | W1246-P1277 VanDerWaalsContact CD1-CG 3.41Å; W1246-P1277 HydrophobicContact CG-CG 4.07Å; F1249-P1277 HydrophobicContact CB-CB 3.83Å; F1249-P1277 HydrophobicContact CB-CG 3.96Å; F1249-P1277 VanDerWaalsContact O-CB 3.26Å; F1249-P1277 WeakPolarHBondContact O-CB 3.4Å; T1250-P1277 HydrophobicContact CG2-CB 3.59Å; T1250-P1277 HydrophobicContact CG2-CG 3.97Å; T1275-P1277 VanDerWaalsContact O-CD 3.25Å; T1275-P1277 WeakPolarHBondContact O-CD 3.43Å; P1277-I1279 PolarHBondContact O-N 3.07Å; P1277-I1279 VanDerWaalsContact O-N 3.11Å; P1277-C1280 HydrophobicContact CB-CB 3.73Å; P1277-C1280 HydrophobicContact CG-CB 3.84Å; P1277-C1280 VanDerWaalsContact CG-SG 3.58Å; P1277-C1280 WeakPolarHBondContact O-CA 3.33Å; P1277-C1280 WeakPolarHBondContact O-CB 3.49Å; P1277-C1280 PolarHBondContact O-N 2.77Å |
| 1278 | D | 81.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.5 | -172.6 | -49.3 | -64 | 0 | 0 | 0 | 112.8 | K1253 P1351 | K1253-D1278 IonicContact NZ-OD1 2.78Å; K1253-D1278 IonicContact NZ-OD2 2.71Å; K1253-D1278 PolarHBondContact NZ-OD2 2.69Å; D1278-P1351 HydrophobicContact CB-CB 4.41Å |
| 1279 | I | 87 | Confident | 89.5 | Confident | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -19.3 | 175.1 | 86.5 | -171.7 | 0 | 0 | 0 | 112.5 | L1154 F1249 F1251 P1277 T1281 L1320 Y1321 I1322 | L1154-I1279 HydrophobicContact CD1-CD1 3.33Å; F1249-I1279 HydrophobicContact CB-CD1 4.09Å; F1249-I1279 HydrophobicContact CB-CG1 4.11Å; F1249-I1279 WeakPolarHBondContact O-CD1 3.38Å; F1249-I1279 WeakPolarHBondContact O-CG1 3.38Å; F1251-I1279 HydrophobicContact CD2-CG2 4.48Å; F1251-I1279 HydrophobicContact CE1-CD1 4.28Å; F1251-I1279 HydrophobicContact CE2-CD1 4.18Å; F1251-I1279 HydrophobicContact CE2-CG2 3.52Å; F1251-I1279 HydrophobicContact CZ-CD1 3.82Å; F1251-I1279 HydrophobicContact CZ-CG2 3.93Å; P1277-I1279 PolarHBondContact O-N 3.07Å; P1277-I1279 VanDerWaalsContact O-N 3.11Å; I1279-T1281 PolarHBondContact O-N 2.63Å; I1279-L1320 HydrophobicContact CD1-CD1 4.4Å; I1279-L1320 HydrophobicContact CG1-CB 4.24Å; I1279-L1320 HydrophobicContact CG1-CD2 4.14Å; I1279-L1320 CarbonylContact O-C 3.59Å; I1279-L1320 VanDerWaalsContact O-CA 3.22Å; I1279-L1320 WeakPolarHBondContact O-CA 3.31Å; I1279-Y1321 VanDerWaalsContact CA-O 3.24Å; I1279-Y1321 WeakPolarHBondContact CA-O 3.44Å; I1279-Y1321 WeakPolarHBondContact CB-O 3.46Å; I1279-Y1321 WeakPolarHBondContact CG2-O 3.35Å; I1279-Y1321 PolarHBondContact O-N 3.12Å; I1279-I1322 HydrophobicContact CB-CG1 4Å; I1279-I1322 HydrophobicContact CD1-CD1 4.01Å; I1279-I1322 HydrophobicContact CD1-CG1 3.85Å; I1279-I1322 HydrophobicContact CG1-CG1 4.35Å; I1279-I1322 HydrophobicContact CG2-CG1 4.08Å |
| 1280 | C | 86.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 99.5 | 176.5 | -90.7 | 0 | 0 | 0 | 0 | 109.5 | F1249 Q1276 P1277 L1320 | F1249-C1280 WeakPolarHBondContact CB-SG 3.42Å; F1249-C1280 WeakPolarHBondContact CD2-SG 3.34Å; F1249-C1280 VanDerWaalsContact CG-SG 3.6Å; Q1276-C1280 HydrophobicContact CG-CB 4.34Å; Q1276-C1280 VanDerWaalsContact CG-O 3.23Å; Q1276-C1280 WeakPolarHBondContact CG-O 3.4Å; Q1276-C1280 PolarHBondContact NE2-O 2.76Å; P1277-C1280 HydrophobicContact CB-CB 3.73Å; P1277-C1280 HydrophobicContact CG-CB 3.84Å; P1277-C1280 VanDerWaalsContact CG-SG 3.58Å; P1277-C1280 WeakPolarHBondContact O-CA 3.33Å; P1277-C1280 WeakPolarHBondContact O-CB 3.49Å; P1277-C1280 PolarHBondContact O-N 2.77Å; C1280-L1320 HydrophobicContact CB-CD2 4.48Å |
| 1281 | T | 85.9 | Confident | 90 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | trans | -72 | 139.9 | 157.5 | 65.1 | 0 | 0 | 0 | 0 | 107 | K41 I1279 V1284 R1318 Y1319 L1349 | K41-T1281 WeakPolarHBondContact CD-OG1 3.47Å; K41-T1281 WeakPolarHBondContact CE-OG1 3.31Å; K41-T1281 PolarHBondContact NZ-O 2.64Å; K41-T1281 PolarHBondContact NZ-OG1 3.4Å; I1279-T1281 PolarHBondContact O-N 2.63Å; T1281-V1284 PolarHBondContact O-N 3.28Å; T1281-R1318 PolarHBondContact OG1-O 3.24Å; T1281-Y1319 VanDerWaalsContact OG1-C 3.27Å; T1281-Y1319 PolarHBondContact OG1-O 3.03Å; T1281-L1349 HydrophobicContact CG2-CD1 3.84Å; T1281-L1349 HydrophobicContact CG2-CD2 3.96Å | ||
| 1282 | L | 81.6 | Confident | 90.5 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 9% | 0.094 | 13% | 0.126 | C | C | . | . | H | α-helix | -95.6 | 1.7 | -129.7 | 148.8 | 130 | 0 | 0 | 0 | 120.8 | S40 Q1276 Y1285 M1286 E1348 | S40-L1282 VanDerWaalsContact CB-O 3.3Å; S40-L1282 WeakPolarHBondContact CB-O 3.35Å; S40-L1282 CarbonylContact O-C 3.56Å; S40-L1282 WeakPolarHBondContact O-CA 3.47Å; S40-L1282 WeakPolarHBondContact O-CB 3.22Å; S40-L1282 WeakPolarHBondContact O-CD2 3.35Å; S40-L1282 VanDerWaalsContact O-CG 3.27Å; S40-L1282 WeakPolarHBondContact O-CG 3.2Å; S40-L1282 PolarHBondContact O-N 3.23Å; Q1276-L1282 HydrophobicContact CB-CD1 3.9Å; Q1276-L1282 VanDerWaalsContact CD-CD1 3.42Å; Q1276-L1282 HydrophobicContact CG-CB 4.16Å; Q1276-L1282 HydrophobicContact CG-CD1 3.72Å; Q1276-L1282 VanDerWaalsContact OE1-CD1 3.31Å; L1282-Y1285 HydrophobicContact CD1-CD1 3.12Å; L1282-Y1285 HydrophobicContact CD1-CE1 3.65Å; L1282-Y1285 HydrophobicContact CD1-CG 3.76Å; L1282-Y1285 HydrophobicContact CG-CD1 3.82Å; L1282-Y1285 HydrophobicContact CG-CG 4.39Å; L1282-Y1285 CarbonylContact O-C 3.46Å; L1282-Y1285 VanDerWaalsContact O-C 3.29Å; L1282-Y1285 WeakPolarHBondContact O-CA 3.39Å; L1282-Y1285 VanDerWaalsContact O-CB 3.29Å; L1282-Y1285 WeakPolarHBondContact O-CB 3.3Å; L1282-Y1285 PolarHBondContact O-N 3.38Å; L1282-Y1285 VanDerWaalsContact O-N 3.14Å; L1282-M1286 PolarHBondContact O-N 3.49Å; L1282-E1348 WeakPolarHBondContact CD2-OE2 3.23Å | |
| 1283 | D | 86.5 | Confident | 91 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -82.5 | -9.3 | 159.3 | -74.2 | -51.7 | 0 | 0 | 0 | 113 | D38 C39 S40 Y1285 M1286 V1287 | D38-D1283 HydrophobicContact CB-CB 4.47Å; D38-D1283 VanDerWaalsContact OD1-CA 3.27Å; D38-D1283 WeakPolarHBondContact OD1-CA 3.22Å; D38-D1283 WeakPolarHBondContact OD1-CB 3.45Å; D38-D1283 PolarHBondContact OD1-N 2.67Å; D38-D1283 WeakPolarHBondContact OD2-CA 3.32Å; D38-D1283 VanDerWaalsContact OD2-CB 3.32Å; D38-D1283 WeakPolarHBondContact OD2-CB 3.43Å; D38-D1283 PolarHBondContact OD2-N 2.64Å; C39-D1283 WeakPolarHBondContact CA-OD2 3.35Å; C39-D1283 PolarHBondContact N-OD2 3.49Å; S40-D1283 WeakPolarHBondContact CB-OD1 3.49Å; S40-D1283 VanDerWaalsContact N-CG 3.34Å; S40-D1283 PolarHBondContact N-OD2 3.4Å; S40-D1283 PolarHBondContact O-N 2.81Å; S40-D1283 VanDerWaalsContact OG-CG 3.27Å; S40-D1283 PolarHBondContact OG-OD1 2.89Å; D1283-Y1285 VanDerWaalsContact C-N 3.33Å; D1283-M1286 HydrophobicContact CB-CB 4.37Å; D1283-M1286 PolarHBondContact O-N 3.48Å; D1283-M1286 WeakPolarHBondContact OD1-CB 3.18Å; D1283-V1287 WeakPolarHBondContact O-CB 3.11Å; D1283-V1287 WeakPolarHBondContact O-CG2 3.27Å; D1283-V1287 PolarHBondContact O-N 3.2Å |
| 1284 | V | 89.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -52.6 | 151.9 | 176.7 | 0 | 0 | 0 | 0 | 107.9 | L1155 F1249 T1281 M1286 V1287 L1288 F1309 F1312 Y1319 L1320 | L1155-V1284 HydrophobicContact CD2-CG2 4.05Å; F1249-V1284 HydrophobicContact CD2-CG1 3.73Å; F1249-V1284 HydrophobicContact CE2-CG1 3.2Å; F1249-V1284 HydrophobicContact CZ-CG1 3.93Å; T1281-V1284 PolarHBondContact O-N 3.28Å; V1284-M1286 VanDerWaalsContact C-N 3.28Å; V1284-M1286 PolarHBondContact O-N 2.97Å; V1284-V1287 CarbonylContact O-C 3.46Å; V1284-V1287 WeakPolarHBondContact O-CA 3.28Å; V1284-V1287 WeakPolarHBondContact O-CB 3.13Å; V1284-V1287 PolarHBondContact O-N 2.94Å; V1284-L1288 HydrophobicContact CG1-CD1 3.9Å; V1284-L1288 WeakPolarHBondContact O-CD1 3.49Å; V1284-L1288 PolarHBondContact O-N 2.75Å; V1284-F1309 HydrophobicContact CG1-CE1 4.12Å; V1284-F1309 HydrophobicContact CG1-CZ 4.37Å; V1284-F1312 HydrophobicContact CB-CE2 4.49Å; V1284-F1312 HydrophobicContact CG2-CD2 3.84Å; V1284-F1312 HydrophobicContact CG2-CE2 3.75Å; V1284-Y1319 HydrophobicContact CG2-CD1 4.33Å; V1284-Y1319 HydrophobicContact CG2-CG 4.45Å; V1284-Y1319 WeakPolarHBondContact CG2-O 3.27Å; V1284-L1320 HydrophobicContact CB-CD2 4.31Å; V1284-L1320 HydrophobicContact CG1-CD2 3.96Å; V1284-L1320 HydrophobicContact CG2-CD2 4.24Å |
| 1285 | Y | 92.7 | Very high | 90.7 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -29.7 | 175.5 | 174.8 | -94.9 | 0 | 0 | 0 | 114 | L1274 T1275 Q1276 L1282 D1283 L1288 V1289 W1292 | L1274-Y1285 VanDerWaalsContact O-CE2 3.29Å; L1274-Y1285 WeakPolarHBondContact O-CE2 3.31Å; L1274-Y1285 PolarHBondContact O-OH 3.07Å; T1275-Y1285 VanDerWaalsContact C-CE2 3.46Å; T1275-Y1285 WeakPolarHBondContact O-CE2 3.15Å; Q1276-Y1285 HydrophobicContact CB-CD2 4.23Å; Q1276-Y1285 HydrophobicContact CB-CE2 4.36Å; Q1276-Y1285 HydrophobicContact CB-CG 4.33Å; Q1276-Y1285 HydrophobicContact CG-CG 4.47Å; L1282-Y1285 HydrophobicContact CD1-CD1 3.12Å; L1282-Y1285 HydrophobicContact CD1-CE1 3.65Å; L1282-Y1285 HydrophobicContact CD1-CG 3.76Å; L1282-Y1285 HydrophobicContact CG-CD1 3.82Å; L1282-Y1285 HydrophobicContact CG-CG 4.39Å; L1282-Y1285 CarbonylContact O-C 3.46Å; L1282-Y1285 VanDerWaalsContact O-C 3.29Å; L1282-Y1285 WeakPolarHBondContact O-CA 3.39Å; L1282-Y1285 VanDerWaalsContact O-CB 3.29Å; L1282-Y1285 WeakPolarHBondContact O-CB 3.3Å; L1282-Y1285 PolarHBondContact O-N 3.38Å; L1282-Y1285 VanDerWaalsContact O-N 3.14Å; D1283-Y1285 VanDerWaalsContact C-N 3.33Å; Y1285-L1288 CarbonylContact O-C 3.52Å; Y1285-L1288 WeakPolarHBondContact O-CA 3.36Å; Y1285-L1288 VanDerWaalsContact O-CB 3.27Å; Y1285-L1288 WeakPolarHBondContact O-CB 3.47Å; Y1285-L1288 PolarHBondContact O-N 3.4Å; Y1285-L1288 VanDerWaalsContact O-N 3.16Å; Y1285-V1289 HydrophobicContact CD1-CG2 3.86Å; Y1285-V1289 HydrophobicContact CE1-CG2 3.44Å; Y1285-V1289 VanDerWaalsContact CE1-CG2 3.44Å; Y1285-V1289 HydrophobicContact CE2-CG2 4.27Å; Y1285-V1289 HydrophobicContact CG-CG2 4.49Å; Y1285-V1289 WeakPolarHBondContact O-CG2 3.38Å; Y1285-V1289 PolarHBondContact O-N 3.24Å; Y1285-W1292 HydrophobicContact CD2-CZ3 4.28Å; Y1285-W1292 HydrophobicContact CE2-CH2 4.32Å; Y1285-W1292 AromaticContact CE2-CZ3 3.74Å; Y1285-W1292 HydrophobicContact CE2-CZ3 3.74Å |
| 1286 | M | 92.6 | Very high | 90.8 | Very high | 18 Ų | 18 | 33 Ų | 33 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -85.4 | -12 | 175.1 | -98.7 | -101.2 | -72.6 | 0 | 0 | 113.2 | S40 R132 L1282 D1283 V1284 V1289 K1290 | S40-M1286 WeakPolarHBondContact OG-CE 3.29Å; S40-M1286 WeakPolarHBondContact OG-CG 3.25Å; R132-M1286 PolarHBondContact NH1-SD 3.3Å; L1282-M1286 PolarHBondContact O-N 3.49Å; D1283-M1286 HydrophobicContact CB-CB 4.37Å; D1283-M1286 PolarHBondContact O-N 3.48Å; D1283-M1286 WeakPolarHBondContact OD1-CB 3.18Å; V1284-M1286 VanDerWaalsContact C-N 3.28Å; V1284-M1286 PolarHBondContact O-N 2.97Å; M1286-V1289 HydrophobicContact CG-CB 4.37Å; M1286-V1289 HydrophobicContact SD-CB 4.33Å; M1286-V1289 HydrophobicContact SD-CG1 4.26Å; M1286-K1290 VanDerWaalsContact O-CB 3.3Å; M1286-K1290 WeakPolarHBondContact O-CB 3.28Å; M1286-K1290 WeakPolarHBondContact O-CG 3.28Å; M1286-K1290 PolarHBondContact O-N 2.95Å |
| 1287 | V | 95.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.2 | -39.5 | 154.7 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | D1283 V1284 K1290 C1291 L1305 T1308 F1309 F1312 | D1283-V1287 WeakPolarHBondContact O-CB 3.11Å; D1283-V1287 WeakPolarHBondContact O-CG2 3.27Å; D1283-V1287 PolarHBondContact O-N 3.2Å; V1284-V1287 CarbonylContact O-C 3.46Å; V1284-V1287 WeakPolarHBondContact O-CA 3.28Å; V1284-V1287 WeakPolarHBondContact O-CB 3.13Å; V1284-V1287 PolarHBondContact O-N 2.94Å; V1287-K1290 WeakPolarHBondContact O-CB 3.42Å; V1287-K1290 PolarHBondContact O-N 3.09Å; V1287-C1291 PolarHBondContact O-N 2.66Å; V1287-C1291 PolarHBondContact O-SG 3.14Å; V1287-L1305 HydrophobicContact CG1-CD2 3.54Å; V1287-T1308 HydrophobicContact CG2-CG2 3.77Å; V1287-F1309 HydrophobicContact CB-CZ 4.37Å; V1287-F1309 HydrophobicContact CG1-CE2 3.51Å; V1287-F1309 HydrophobicContact CG1-CZ 3.79Å; V1287-F1312 HydrophobicContact CG2-CE2 4.14Å; V1287-F1312 HydrophobicContact CG2-CZ 4.03Å |
| 1288 | L | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 170.2 | -79.5 | 67.3 | 0 | 0 | 0 | 111.7 | G1242 L1245 W1246 F1249 V1284 Y1285 C1291 W1292 | G1242-L1288 WeakPolarHBondContact O-CD2 3.44Å; G1242-L1288 WeakPolarHBondContact O-CG 3.35Å; L1245-L1288 HydrophobicContact CB-CD1 3.83Å; L1245-L1288 HydrophobicContact CB-CD2 4.18Å; L1245-L1288 HydrophobicContact CB-CG 4.02Å; L1245-L1288 HydrophobicContact CD1-CD1 3.88Å; W1246-L1288 HydrophobicContact CB-CD2 3.88Å; F1249-L1288 HydrophobicContact CD2-CD1 4.23Å; F1249-L1288 HydrophobicContact CD2-CD2 4.49Å; F1249-L1288 HydrophobicContact CE2-CD1 3.95Å; V1284-L1288 HydrophobicContact CG1-CD1 3.9Å; V1284-L1288 WeakPolarHBondContact O-CD1 3.49Å; V1284-L1288 PolarHBondContact O-N 2.75Å; Y1285-L1288 CarbonylContact O-C 3.52Å; Y1285-L1288 WeakPolarHBondContact O-CA 3.36Å; Y1285-L1288 VanDerWaalsContact O-CB 3.27Å; Y1285-L1288 WeakPolarHBondContact O-CB 3.47Å; Y1285-L1288 PolarHBondContact O-N 3.4Å; Y1285-L1288 VanDerWaalsContact O-N 3.16Å; L1288-C1291 CarbonylContact O-C 3.22Å; L1288-C1291 WeakPolarHBondContact O-CA 3.39Å; L1288-C1291 WeakPolarHBondContact O-CB 3.24Å; L1288-C1291 PolarHBondContact O-N 3.46Å; L1288-W1292 HydrophobicContact CB-CE3 4.36Å; L1288-W1292 HydrophobicContact CB-CH2 3.68Å; L1288-W1292 HydrophobicContact CB-CZ2 3.88Å; L1288-W1292 HydrophobicContact CB-CZ3 3.94Å; L1288-W1292 HydrophobicContact CD2-CH2 3.71Å; L1288-W1292 HydrophobicContact CD2-CZ2 3.95Å; L1288-W1292 HydrophobicContact CG-CH2 4.19Å; L1288-W1292 HydrophobicContact CG-CZ2 4.19Å; L1288-W1292 VanDerWaalsContact O-CG 3.29Å; L1288-W1292 PolarHBondContact O-N 2.89Å |
| 1289 | V | 93.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70 | -33.5 | 176 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | Y1285 M1286 C1291 W1292 M1293 | Y1285-V1289 HydrophobicContact CD1-CG2 3.86Å; Y1285-V1289 HydrophobicContact CE1-CG2 3.44Å; Y1285-V1289 VanDerWaalsContact CE1-CG2 3.44Å; Y1285-V1289 HydrophobicContact CE2-CG2 4.27Å; Y1285-V1289 HydrophobicContact CG-CG2 4.49Å; Y1285-V1289 WeakPolarHBondContact O-CG2 3.38Å; Y1285-V1289 PolarHBondContact O-N 3.24Å; M1286-V1289 HydrophobicContact CG-CB 4.37Å; M1286-V1289 HydrophobicContact SD-CB 4.33Å; M1286-V1289 HydrophobicContact SD-CG1 4.26Å; V1289-C1291 PolarHBondContact O-N 3.21Å; V1289-W1292 HydrophobicContact CG2-CE3 4.05Å; V1289-W1292 HydrophobicContact CG2-CZ3 4.28Å; V1289-W1292 CarbonylContact O-C 3.59Å; V1289-W1292 PolarHBondContact O-N 3.38Å; V1289-M1293 PolarHBondContact O-N 3.24Å; V1289-M1293 VanDerWaalsContact O-N 3.14Å |
| 1290 | K | 94.8 | Very high | 92 | Very high | 77 Ų | 77 | 35.7 Ų | 35.7 | 34% | 0.335 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.5 | -35.5 | 166 | -81.9 | 169.1 | -177.7 | 176.6 | 0 | 111.3 | M1286 V1287 W1292 M1293 R1299 P1300 | M1286-K1290 VanDerWaalsContact O-CB 3.3Å; M1286-K1290 WeakPolarHBondContact O-CB 3.28Å; M1286-K1290 WeakPolarHBondContact O-CG 3.28Å; M1286-K1290 PolarHBondContact O-N 2.95Å; V1287-K1290 WeakPolarHBondContact O-CB 3.42Å; V1287-K1290 PolarHBondContact O-N 3.09Å; K1290-W1292 VanDerWaalsContact C-N 3.33Å; K1290-M1293 WeakPolarHBondContact O-CG 3.39Å; K1290-R1299 WeakPolarHBondContact O-CA 3.43Å; K1290-P1300 WeakPolarHBondContact O-CD 3.24Å |
| 1291 | C | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.6 | -26.9 | 171.8 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | V1238 W1239 V1287 L1288 V1289 R1299 | V1238-C1291 HydrophobicContact CG1-CB 3.93Å; V1238-C1291 VanDerWaalsContact O-CB 3.27Å; V1238-C1291 WeakPolarHBondContact O-CB 3.28Å; W1239-C1291 WeakPolarHBondContact CA-O 3.38Å; V1287-C1291 PolarHBondContact O-N 2.66Å; V1287-C1291 PolarHBondContact O-SG 3.14Å; L1288-C1291 CarbonylContact O-C 3.22Å; L1288-C1291 WeakPolarHBondContact O-CA 3.39Å; L1288-C1291 WeakPolarHBondContact O-CB 3.24Å; L1288-C1291 PolarHBondContact O-N 3.46Å; V1289-C1291 PolarHBondContact O-N 3.21Å; C1291-R1299 WeakPolarHBondContact O-CD 3.49Å; C1291-R1299 PolarHBondContact O-NE 2.86Å |
| 1292 | W | 96.3 | Very high | 93 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 24.6 | 179.7 | -48 | -40.8 | 0 | 0 | 0 | 115.1 | W1239 G1242 V1243 W1246 R1273 L1274 Y1285 L1288 V1289 K1290 | W1239-W1292 AromaticContact CD1-CD1 3.87Å; W1239-W1292 HydrophobicContact CD2-CB 4.19Å; W1239-W1292 AromaticContact CD2-CD1 3.64Å; W1239-W1292 HydrophobicContact CD2-CG 4.26Å; W1239-W1292 AromaticContact CE2-CD1 3.73Å; W1239-W1292 VanDerWaalsContact CE3-CA 3.47Å; W1239-W1292 HydrophobicContact CE3-CB 3.99Å; W1239-W1292 AromaticContact CG-CD1 3.71Å; W1239-W1292 HydrophobicContact CH2-CB 4.05Å; W1239-W1292 HydrophobicContact CZ2-CB 4.25Å; W1239-W1292 HydrophobicContact CZ2-CG 4.46Å; W1239-W1292 HydrophobicContact CZ3-CB 3.93Å; W1239-W1292 VanDerWaalsContact CZ3-O 3.3Å; W1239-W1292 WeakPolarHBondContact CZ3-O 3.21Å; W1239-W1292 AromaticContact NE1-CD1 3.85Å; W1239-W1292 PolarHBondContact O-NE1 3.3Å; G1242-W1292 VanDerWaalsContact C-CZ2 3.46Å; G1242-W1292 VanDerWaalsContact O-CZ2 3.27Å; G1242-W1292 WeakPolarHBondContact O-CZ2 3.37Å; V1243-W1292 HydrophobicContact CG2-CZ2 4.29Å; W1246-W1292 HydrophobicContact CB-CH2 4.24Å; W1246-W1292 HydrophobicContact CB-CZ2 4.14Å; W1246-W1292 AromaticContact CD1-CH2 3.99Å; W1246-W1292 HydrophobicContact CG-CH2 4.4Å; R1273-W1292 HydrophobicContact CB-CE3 4.2Å; R1273-W1292 HydrophobicContact CG-CE3 4.47Å; R1273-W1292 PolarHBondContact NE-O 3.47Å; R1273-W1292 PolarHBondContact NH2-O 2.8Å; L1274-W1292 HydrophobicContact CB-CH2 3.66Å; L1274-W1292 HydrophobicContact CB-CZ2 4.26Å; L1274-W1292 HydrophobicContact CB-CZ3 4.07Å; L1274-W1292 HydrophobicContact CD1-CH2 3.96Å; L1274-W1292 HydrophobicContact CD1-CZ2 3.68Å; L1274-W1292 HydrophobicContact CG-CH2 4.26Å; L1274-W1292 HydrophobicContact CG-CZ2 4.37Å; Y1285-W1292 HydrophobicContact CD2-CZ3 4.28Å; Y1285-W1292 HydrophobicContact CE2-CH2 4.32Å; Y1285-W1292 AromaticContact CE2-CZ3 3.74Å; Y1285-W1292 HydrophobicContact CE2-CZ3 3.74Å; L1288-W1292 HydrophobicContact CB-CE3 4.36Å; L1288-W1292 HydrophobicContact CB-CH2 3.68Å; L1288-W1292 HydrophobicContact CB-CZ2 3.88Å; L1288-W1292 HydrophobicContact CB-CZ3 3.94Å; L1288-W1292 HydrophobicContact CD2-CH2 3.71Å; L1288-W1292 HydrophobicContact CD2-CZ2 3.95Å; L1288-W1292 HydrophobicContact CG-CH2 4.19Å; L1288-W1292 HydrophobicContact CG-CZ2 4.19Å; L1288-W1292 VanDerWaalsContact O-CG 3.29Å; L1288-W1292 PolarHBondContact O-N 2.89Å; V1289-W1292 HydrophobicContact CG2-CE3 4.05Å; V1289-W1292 HydrophobicContact CG2-CZ3 4.28Å; V1289-W1292 CarbonylContact O-C 3.59Å; V1289-W1292 PolarHBondContact O-N 3.38Å; K1290-W1292 VanDerWaalsContact C-N 3.33Å |
| 1293 | M | 95.2 | Very high | 93.7 | Very high | 63 Ų | 63 | 39.3 Ų | 39.3 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | trans | -60.7 | 138.6 | 170.3 | -68.9 | -67.1 | -67.6 | 0 | 0 | 110.1 | V1289 K1290 D1295 R1299 | V1289-M1293 PolarHBondContact O-N 3.24Å; V1289-M1293 VanDerWaalsContact O-N 3.14Å; K1290-M1293 WeakPolarHBondContact O-CG 3.39Å; M1293-D1295 WeakPolarHBondContact CB-O 3.18Å; M1293-R1299 HydrophobicContact CB-CG 3.95Å; M1293-R1299 VanDerWaalsContact O-CZ 3.31Å; M1293-R1299 PolarHBondContact O-NE 2.77Å; M1293-R1299 PolarHBondContact O-NH2 3.3Å | ||
| 1294 | E | 89.9 | Confident | 94.2 | Very high | 126 Ų | 126 | 41.6 Ų | 41.6 | 59% | 0.589 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -66 | -49 | 179.1 | -178.1 | 174.8 | -170.9 | 0 | 0 | 111.2 | I1224 Y1296 R1299 | I1224-E1294 HydrophobicContact CD1-CB 4.19Å; I1224-E1294 HydrophobicContact CD1-CG 4.02Å; E1294-Y1296 PolarHBondContact O-N 2.89Å; E1294-R1299 PolarHBondContact O-NH2 2.93Å |
| 1295 | D | 90.9 | Very high | 94.5 | Very high | 72 Ų | 72 | 41.7 Ų | 41.7 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -63.7 | 117.9 | 162.6 | 170.8 | 26.2 | 0 | 0 | 0 | 109.8 | M1293 E1297 S1298 | M1293-D1295 WeakPolarHBondContact CB-O 3.18Å; D1295-E1297 VanDerWaalsContact C-N 3.35Å; D1295-E1297 PolarHBondContact OD1-N 3.12Å; D1295-S1298 PolarHBondContact O-N 3.46Å; D1295-S1298 VanDerWaalsContact OD2-CB 3.24Å; D1295-S1298 WeakPolarHBondContact OD2-CB 3.44Å; D1295-S1298 PolarHBondContact OD2-N 2.98Å; D1295-S1298 PolarHBondContact OD2-OG 2.75Å |
| 1296 | Y | 91.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 41.8 Ų | 41.8 | 37% | 0.365 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -74.6 | -24.4 | -177.6 | 67.5 | -97.5 | 0 | 0 | 0 | 112.7 | E1225 K1235 E1294 R1299 | E1225-Y1296 VanDerWaalsContact OE1-CB 3.28Å; E1225-Y1296 WeakPolarHBondContact OE1-CB 3.38Å; K1235-Y1296 HydrophobicContact CB-CD2 4.17Å; K1235-Y1296 VanDerWaalsContact CD-O 3.29Å; K1235-Y1296 WeakPolarHBondContact CD-O 3.41Å; K1235-Y1296 HydrophobicContact CG-CD2 4.13Å; K1235-Y1296 WeakPolarHBondContact CG-O 3.01Å; E1294-Y1296 PolarHBondContact O-N 2.89Å; Y1296-R1299 WeakPolarHBondContact O-CB 3.04Å; Y1296-R1299 PolarHBondContact O-N 3.32Å |
| 1297 | E | 90.4 | Very high | 94.7 | Very high | 105 Ų | 105 | 46.2 Ų | 46.2 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -32.6 | 175.4 | -66 | -65 | -177.7 | 0 | 0 | 111.8 | K1235 D1295 R1299 | K1235-E1297 PolarHBondContact NZ-O 2.89Å; D1295-E1297 VanDerWaalsContact C-N 3.35Å; D1295-E1297 PolarHBondContact OD1-N 3.12Å; E1297-R1299 PolarHBondContact O-N 3.13Å |
| 1298 | S | 92.9 | Very high | 94.7 | Very high | 55 Ų | 55 | 48 Ų | 48 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -3.4 | 173.6 | -71.1 | 0 | 0 | 0 | 0 | 114.5 | D1295 | D1295-S1298 PolarHBondContact O-N 3.46Å; D1295-S1298 VanDerWaalsContact OD2-CB 3.24Å; D1295-S1298 WeakPolarHBondContact OD2-CB 3.44Å; D1295-S1298 PolarHBondContact OD2-N 2.98Å; D1295-S1298 PolarHBondContact OD2-OG 2.75Å |
| 1299 | R | 97.2 | Very high | 94.6 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -80.5 | 144.1 | 171 | -58 | 174.4 | -167.6 | 150.7 | 17.4 | 110.1 | E1225 K1235 V1238 K1290 C1291 M1293 E1294 Y1296 E1297 | E1225-R1299 IonicContact OE1-CZ 2.66Å; E1225-R1299 IonicContact OE1-NH1 3.75Å; E1225-R1299 PolarHBondContact OE1-NH1 2.71Å; E1225-R1299 IonicContact OE1-NH2 2.84Å; E1225-R1299 PolarHBondContact OE1-NH2 2.73Å; E1225-R1299 IonicContact OE2-CZ 3.97Å; E1225-R1299 IonicContact OE2-NH1 3.73Å; E1225-R1299 PolarHBondContact OE2-NH1 3.38Å; E1225-R1299 IonicContact OE2-NH2 3.8Å; E1225-R1299 PolarHBondContact OE2-NH2 2.8Å; K1235-R1299 HydrophobicContact CD-CB 4.39Å; K1235-R1299 PolarHBondContact NZ-O 3.39Å; K1235-R1299 WeakPolarHBondContact O-CD 3.41Å; K1235-R1299 PolarHBondContact O-NH1 2.76Å; V1238-R1299 HydrophobicContact CG1-CB 3.9Å; K1290-R1299 WeakPolarHBondContact O-CA 3.43Å; C1291-R1299 WeakPolarHBondContact O-CD 3.49Å; C1291-R1299 PolarHBondContact O-NE 2.86Å; M1293-R1299 HydrophobicContact CB-CG 3.95Å; M1293-R1299 VanDerWaalsContact O-CZ 3.31Å; M1293-R1299 PolarHBondContact O-NE 2.77Å; M1293-R1299 PolarHBondContact O-NH2 3.3Å; E1294-R1299 PolarHBondContact O-NH2 2.93Å; Y1296-R1299 WeakPolarHBondContact O-CB 3.04Å; Y1296-R1299 PolarHBondContact O-N 3.32Å; E1297-R1299 PolarHBondContact O-N 3.13Å |
| 1300 | P | 96.3 | Very high | 94.5 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 161.6 | 178.5 | 28.3 | -35.4 | 0 | 0 | 0 | 112.1 | V1238 K1290 E1304 L1305 | V1238-P1300 HydrophobicContact CG1-CG 4.26Å; V1238-P1300 WeakPolarHBondContact CG2-O 3.42Å; K1290-P1300 WeakPolarHBondContact O-CD 3.24Å; P1300-E1304 HydrophobicContact CB-CB 4.26Å; P1300-L1305 HydrophobicContact CB-CD2 4.27Å; P1300-L1305 HydrophobicContact CB-CG 4.14Å; P1300-L1305 HydrophobicContact CG-CD1 4.17Å; P1300-L1305 HydrophobicContact CG-CD2 3.59Å; P1300-L1305 HydrophobicContact CG-CG 3.8Å |
| 1301 | T | 96.2 | Very high | 94.2 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 161.5 | 165.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | I1303 E1304 L1305 | T1301-I1303 VanDerWaalsContact C-N 3.31Å; T1301-I1303 PolarHBondContact O-N 2.84Å; T1301-I1303 WeakPolarHBondContact OG1-CG2 3.44Å; T1301-E1304 PolarHBondContact N-OE2 3.01Å; T1301-E1304 WeakPolarHBondContact O-CB 3.5Å; T1301-E1304 PolarHBondContact O-N 2.98Å; T1301-E1304 VanDerWaalsContact O-N 3.09Å; T1301-E1304 VanDerWaalsContact OG1-CD 3.3Å; T1301-E1304 VanDerWaalsContact OG1-CG 3.29Å; T1301-E1304 WeakPolarHBondContact OG1-CG 3.35Å; T1301-E1304 PolarHBondContact OG1-OE2 2.92Å; T1301-L1305 PolarHBondContact O-N 2.86Å |
| 1302 | F | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -32 | -179.8 | -78.4 | -68.8 | 0 | 0 | 0 | 113.1 | M1165 E1169 D1237 V1238 Y1241 E1304 L1305 M1306 | M1165-F1302 HydrophobicContact CB-CB 4.3Å; M1165-F1302 HydrophobicContact CB-CD1 3.32Å; M1165-F1302 HydrophobicContact CB-CD2 3.81Å; M1165-F1302 HydrophobicContact CB-CE1 3.37Å; M1165-F1302 HydrophobicContact CB-CE2 3.84Å; M1165-F1302 HydrophobicContact CB-CG 3.54Å; M1165-F1302 HydrophobicContact CB-CZ 3.62Å; M1165-F1302 HydrophobicContact CE-CD2 4.49Å; M1165-F1302 HydrophobicContact CE-CE1 4.49Å; M1165-F1302 HydrophobicContact CE-CE2 3.69Å; M1165-F1302 HydrophobicContact CE-CZ 3.68Å; M1165-F1302 HydrophobicContact CG-CD1 4.2Å; M1165-F1302 HydrophobicContact CG-CE1 3.76Å; M1165-F1302 HydrophobicContact CG-CE2 4.48Å; M1165-F1302 HydrophobicContact CG-CZ 3.91Å; E1169-F1302 HydrophobicContact CB-CD2 4.2Å; E1169-F1302 WeakPolarHBondContact OE2-CB 3.42Å; E1169-F1302 PolarHBondContact OE2-N 3.12Å; D1237-F1302 HydrophobicContact CB-CE2 3.94Å; D1237-F1302 HydrophobicContact CB-CZ 3.84Å; V1238-F1302 HydrophobicContact CB-CZ 4.28Å; V1238-F1302 HydrophobicContact CG2-CD1 4.32Å; V1238-F1302 HydrophobicContact CG2-CD2 3.92Å; V1238-F1302 HydrophobicContact CG2-CE1 3.96Å; V1238-F1302 HydrophobicContact CG2-CE2 3.53Å; V1238-F1302 HydrophobicContact CG2-CG 4.31Å; V1238-F1302 HydrophobicContact CG2-CZ 3.56Å; Y1241-F1302 AromaticContact CD2-CE1 3.95Å; Y1241-F1302 HydrophobicContact CD2-CE1 3.95Å; Y1241-F1302 AromaticContact CG-CE1 3.85Å; Y1241-F1302 HydrophobicContact CG-CE1 3.85Å; F1302-E1304 PolarHBondContact O-N 2.81Å; F1302-L1305 HydrophobicContact CD1-CD1 3.78Å; F1302-L1305 HydrophobicContact CE1-CD1 4.05Å; F1302-L1305 PolarHBondContact O-N 2.83Å; F1302-M1306 VanDerWaalsContact O-CB 3.32Å; F1302-M1306 WeakPolarHBondContact O-CB 3.21Å; F1302-M1306 PolarHBondContact O-N 2.65Å |
| 1303 | I | 95.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 49.4 Ų | 49.4 | 33% | 0.333 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.2 | -22.1 | 173.2 | -163.3 | 176.1 | 0 | 0 | 0 | 113.1 | T1301 M1306 R1307 | T1301-I1303 VanDerWaalsContact C-N 3.31Å; T1301-I1303 PolarHBondContact O-N 2.84Å; T1301-I1303 WeakPolarHBondContact OG1-CG2 3.44Å; I1303-M1306 HydrophobicContact CG1-CE 4.17Å; I1303-R1307 VanDerWaalsContact O-CD 3.28Å; I1303-R1307 WeakPolarHBondContact O-CD 3.33Å; I1303-R1307 VanDerWaalsContact O-CG 3.23Å; I1303-R1307 WeakPolarHBondContact O-CG 3.12Å; I1303-R1307 PolarHBondContact O-N 3.41Å |
| 1304 | E | 96.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -80.1 | -44.5 | 170.3 | -70.8 | 168.3 | 123.1 | 0 | 0 | 111.3 | P1300 T1301 F1302 M1306 R1307 T1308 | P1300-E1304 HydrophobicContact CB-CB 4.26Å; T1301-E1304 PolarHBondContact N-OE2 3.01Å; T1301-E1304 WeakPolarHBondContact O-CB 3.5Å; T1301-E1304 PolarHBondContact O-N 2.98Å; T1301-E1304 VanDerWaalsContact O-N 3.09Å; T1301-E1304 VanDerWaalsContact OG1-CD 3.3Å; T1301-E1304 VanDerWaalsContact OG1-CG 3.29Å; T1301-E1304 WeakPolarHBondContact OG1-CG 3.35Å; T1301-E1304 PolarHBondContact OG1-OE2 2.92Å; F1302-E1304 PolarHBondContact O-N 2.81Å; E1304-M1306 PolarHBondContact O-N 2.77Å; E1304-R1307 PolarHBondContact O-N 2.69Å; E1304-T1308 PolarHBondContact O-N 3.32Å; E1304-T1308 PolarHBondContact O-OG1 3.38Å |
| 1305 | L | 97.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.7 | -48.3 | 174.6 | -69.7 | 169.2 | 0 | 0 | 0 | 111.4 | A1162 V1238 Y1241 V1287 P1300 T1301 F1302 R1307 T1308 F1309 | A1162-L1305 HydrophobicContact CB-CB 3.91Å; V1238-L1305 HydrophobicContact CG1-CD1 4.11Å; V1238-L1305 HydrophobicContact CG2-CD1 4.23Å; Y1241-L1305 HydrophobicContact CD1-CD1 3.71Å; Y1241-L1305 HydrophobicContact CD1-CD2 4.5Å; Y1241-L1305 HydrophobicContact CE1-CB 4.28Å; Y1241-L1305 HydrophobicContact CE1-CD1 3.74Å; Y1241-L1305 HydrophobicContact CE1-CD2 3.95Å; Y1241-L1305 HydrophobicContact CE1-CG 4.21Å; Y1241-L1305 HydrophobicContact CG-CD1 4.39Å; V1287-L1305 HydrophobicContact CG1-CD2 3.54Å; P1300-L1305 HydrophobicContact CB-CD2 4.27Å; P1300-L1305 HydrophobicContact CB-CG 4.14Å; P1300-L1305 HydrophobicContact CG-CD1 4.17Å; P1300-L1305 HydrophobicContact CG-CD2 3.59Å; P1300-L1305 HydrophobicContact CG-CG 3.8Å; T1301-L1305 PolarHBondContact O-N 2.86Å; F1302-L1305 HydrophobicContact CD1-CD1 3.78Å; F1302-L1305 HydrophobicContact CE1-CD1 4.05Å; F1302-L1305 PolarHBondContact O-N 2.83Å; L1305-R1307 PolarHBondContact O-N 3.23Å; L1305-T1308 PolarHBondContact O-N 3.26Å; L1305-T1308 VanDerWaalsContact O-N 3.11Å; L1305-F1309 HydrophobicContact CD2-CE2 4.39Å; L1305-F1309 VanDerWaalsContact O-CD2 3.32Å; L1305-F1309 WeakPolarHBondContact O-CD2 3.14Å; L1305-F1309 PolarHBondContact O-N 2.95Å |
| 1306 | M | 96.6 | Very high | 91.8 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.2 | -49.6 | 175.6 | -178 | -159.7 | 77.6 | 0 | 0 | 111.3 | E1159 A1162 D1163 F1302 I1303 E1304 T1308 F1309 N1310 | E1159-M1306 HydrophobicContact CG-CG 4.25Å; A1162-M1306 HydrophobicContact CB-CB 3.92Å; D1163-M1306 HydrophobicContact CB-CG 4.03Å; D1163-M1306 HydrophobicContact CB-SD 4.04Å; F1302-M1306 VanDerWaalsContact O-CB 3.32Å; F1302-M1306 WeakPolarHBondContact O-CB 3.21Å; F1302-M1306 PolarHBondContact O-N 2.65Å; I1303-M1306 HydrophobicContact CG1-CE 4.17Å; E1304-M1306 PolarHBondContact O-N 2.77Å; M1306-T1308 VanDerWaalsContact C-N 3.33Å; M1306-T1308 PolarHBondContact O-N 3.16Å; M1306-F1309 PolarHBondContact O-N 3.19Å; M1306-N1310 WeakPolarHBondContact O-CB 3.31Å; M1306-N1310 PolarHBondContact O-N 3.44Å |
| 1307 | R | 92.7 | Very high | 91.1 | Very high | 112 Ų | 112 | 38.7 Ų | 38.7 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.4 | -72.1 | 169 | 179.5 | 141.9 | -4.3 | 112.8 | I1303 E1304 L1305 T1311 | I1303-R1307 VanDerWaalsContact O-CD 3.28Å; I1303-R1307 WeakPolarHBondContact O-CD 3.33Å; I1303-R1307 VanDerWaalsContact O-CG 3.23Å; I1303-R1307 WeakPolarHBondContact O-CG 3.12Å; I1303-R1307 PolarHBondContact O-N 3.41Å; E1304-R1307 PolarHBondContact O-N 2.69Å; L1305-R1307 PolarHBondContact O-N 3.23Å; R1307-T1311 WeakPolarHBondContact O-CB 3.37Å; R1307-T1311 PolarHBondContact O-N 3.06Å; R1307-T1311 VanDerWaalsContact O-N 3.08Å; R1307-T1311 PolarHBondContact O-OG1 2.83Å |
| 1308 | T | 94.9 | Very high | 90.7 | Very high | 45 Ų | 45 | 34 Ų | 34 | 28% | 0.276 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68 | -49.3 | 176.4 | -70.3 | 0 | 0 | 0 | 0 | 111.2 | V1287 E1304 L1305 M1306 N1310 T1311 F1312 | V1287-T1308 HydrophobicContact CG2-CG2 3.77Å; E1304-T1308 PolarHBondContact O-N 3.32Å; E1304-T1308 PolarHBondContact O-OG1 3.38Å; L1305-T1308 PolarHBondContact O-N 3.26Å; L1305-T1308 VanDerWaalsContact O-N 3.11Å; M1306-T1308 VanDerWaalsContact C-N 3.33Å; M1306-T1308 PolarHBondContact O-N 3.16Å; T1308-N1310 PolarHBondContact O-N 2.8Å; T1308-T1311 CarbonylContact O-C 3.58Å; T1308-T1311 WeakPolarHBondContact O-CA 3.33Å; T1308-T1311 WeakPolarHBondContact O-CB 3.42Å; T1308-T1311 PolarHBondContact O-N 3.09Å; T1308-T1311 VanDerWaalsContact O-N 3.09Å; T1308-F1312 HydrophobicContact CG2-CD1 4.34Å; T1308-F1312 HydrophobicContact CG2-CD2 4.24Å; T1308-F1312 HydrophobicContact CG2-CE1 3.76Å; T1308-F1312 HydrophobicContact CG2-CE2 3.64Å; T1308-F1312 HydrophobicContact CG2-CZ 3.39Å; T1308-F1312 WeakPolarHBondContact O-CD1 3.34Å; T1308-F1312 WeakPolarHBondContact O-CG 3.49Å; T1308-F1312 PolarHBondContact O-N 3.28Å |
| 1309 | F | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -30.9 | 178.3 | -75.9 | -77.7 | 0 | 0 | 0 | 113 | L1155 A1158 E1159 Y1241 L1245 F1249 V1284 V1287 L1305 M1306 T1311 F1312 C1313 | L1155-F1309 HydrophobicContact CD2-CD1 3.7Å; L1155-F1309 HydrophobicContact CD2-CE1 3.77Å; A1158-F1309 HydrophobicContact CB-CB 4.24Å; A1158-F1309 HydrophobicContact CB-CD1 3.35Å; A1158-F1309 HydrophobicContact CB-CD2 4.14Å; A1158-F1309 HydrophobicContact CB-CE1 3.68Å; A1158-F1309 HydrophobicContact CB-CE2 4.42Å; A1158-F1309 HydrophobicContact CB-CG 3.63Å; A1158-F1309 HydrophobicContact CB-CZ 4.22Å; E1159-F1309 HydrophobicContact CB-CB 3.74Å; E1159-F1309 HydrophobicContact CG-CB 4.41Å; Y1241-F1309 AromaticContact CE1-CE2 3.98Å; Y1241-F1309 HydrophobicContact CE1-CE2 3.98Å; Y1241-F1309 WeakPolarHBondContact OH-CD2 3.38Å; Y1241-F1309 WeakPolarHBondContact OH-CE2 3.44Å; L1245-F1309 HydrophobicContact CD1-CD2 4.47Å; L1245-F1309 HydrophobicContact CD1-CE1 3.84Å; L1245-F1309 HydrophobicContact CD1-CE2 3.54Å; L1245-F1309 HydrophobicContact CD1-CZ 3.17Å; F1249-F1309 HydrophobicContact CE2-CE1 4.4Å; F1249-F1309 HydrophobicContact CZ-CE1 4.11Å; V1284-F1309 HydrophobicContact CG1-CE1 4.12Å; V1284-F1309 HydrophobicContact CG1-CZ 4.37Å; V1287-F1309 HydrophobicContact CB-CZ 4.37Å; V1287-F1309 HydrophobicContact CG1-CE2 3.51Å; V1287-F1309 HydrophobicContact CG1-CZ 3.79Å; L1305-F1309 HydrophobicContact CD2-CE2 4.39Å; L1305-F1309 VanDerWaalsContact O-CD2 3.32Å; L1305-F1309 WeakPolarHBondContact O-CD2 3.14Å; L1305-F1309 PolarHBondContact O-N 2.95Å; M1306-F1309 PolarHBondContact O-N 3.19Å; F1309-T1311 VanDerWaalsContact C-N 3.25Å; F1309-T1311 PolarHBondContact O-N 2.83Å; F1309-F1312 AromaticContact CD1-CD2 3.57Å; F1309-F1312 HydrophobicContact CD1-CD2 3.57Å; F1309-F1312 HydrophobicContact CD1-CE2 4.27Å; F1309-F1312 HydrophobicContact CD1-CG 4.45Å; F1309-F1312 AromaticContact CE1-CD2 3.61Å; F1309-F1312 HydrophobicContact CE1-CD2 3.61Å; F1309-F1312 AromaticContact CE1-CE2 3.95Å; F1309-F1312 HydrophobicContact CE1-CE2 3.95Å; F1309-F1312 HydrophobicContact CG-CD2 4.25Å; F1309-F1312 HydrophobicContact CZ-CD2 4.3Å; F1309-F1312 HydrophobicContact CZ-CE2 4.22Å; F1309-F1312 CarbonylContact O-C 3.55Å; F1309-F1312 PolarHBondContact O-N 3.23Å; F1309-F1312 VanDerWaalsContact O-N 3.11Å; F1309-C1313 PolarHBondContact O-N 3.19Å; F1309-C1313 PolarHBondContact O-SG 3.22Å |
| 1310 | N | 91.9 | Very high | 89.9 | Confident | 61 Ų | 61 | 31.4 Ų | 31.4 | 33% | 0.326 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.9 | -35.9 | 168.8 | -176.3 | -87.7 | 0 | 0 | 0 | 111.4 | E1159 M1306 T1308 K1314 | E1159-N1310 HydrophobicContact CG-CB 3.93Å; E1159-N1310 WeakPolarHBondContact OE1-CB 3.3Å; E1159-N1310 PolarHBondContact OE1-ND2 3.44Å; M1306-N1310 WeakPolarHBondContact O-CB 3.31Å; M1306-N1310 PolarHBondContact O-N 3.44Å; T1308-N1310 PolarHBondContact O-N 2.8Å; N1310-K1314 VanDerWaalsContact O-CE 3.28Å; N1310-K1314 WeakPolarHBondContact O-CE 3.04Å; N1310-K1314 WeakPolarHBondContact OD1-CE 3.34Å; N1310-K1314 PolarHBondContact OD1-NZ 2.96Å |
| 1311 | T | 88.1 | Confident | 89.2 | Confident | 51 Ų | 51 | 34.3 Ų | 34.3 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -71.3 | -37.9 | 173.2 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | E36 R1307 T1308 F1309 K1314 | E36-T1311 WeakPolarHBondContact OE2-CG2 3.39Å; R1307-T1311 WeakPolarHBondContact O-CB 3.37Å; R1307-T1311 PolarHBondContact O-N 3.06Å; R1307-T1311 VanDerWaalsContact O-N 3.08Å; R1307-T1311 PolarHBondContact O-OG1 2.83Å; T1308-T1311 CarbonylContact O-C 3.58Å; T1308-T1311 WeakPolarHBondContact O-CA 3.33Å; T1308-T1311 WeakPolarHBondContact O-CB 3.42Å; T1308-T1311 PolarHBondContact O-N 3.09Å; T1308-T1311 VanDerWaalsContact O-N 3.09Å; F1309-T1311 VanDerWaalsContact C-N 3.25Å; F1309-T1311 PolarHBondContact O-N 2.83Å; T1311-K1314 PolarHBondContact O-N 2.92Å |
| 1312 | F | 91.4 | Very high | 88.5 | Confident | 13 Ų | 13 | 33 Ų | 33 | 6% | 0.057 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -37.1 | 175.8 | -63 | -10.3 | 0 | 0 | 0 | 112.9 | L1155 V1284 V1287 T1308 F1309 K1314 T1315 P1316 Y1319 | L1155-F1312 HydrophobicContact CD1-CB 4.25Å; L1155-F1312 HydrophobicContact CD2-CB 4.03Å; L1155-F1312 HydrophobicContact CD2-CD2 4.08Å; V1284-F1312 HydrophobicContact CB-CE2 4.49Å; V1284-F1312 HydrophobicContact CG2-CD2 3.84Å; V1284-F1312 HydrophobicContact CG2-CE2 3.75Å; V1287-F1312 HydrophobicContact CG2-CE2 4.14Å; V1287-F1312 HydrophobicContact CG2-CZ 4.03Å; T1308-F1312 HydrophobicContact CG2-CD1 4.34Å; T1308-F1312 HydrophobicContact CG2-CD2 4.24Å; T1308-F1312 HydrophobicContact CG2-CE1 3.76Å; T1308-F1312 HydrophobicContact CG2-CE2 3.64Å; T1308-F1312 HydrophobicContact CG2-CZ 3.39Å; T1308-F1312 WeakPolarHBondContact O-CD1 3.34Å; T1308-F1312 WeakPolarHBondContact O-CG 3.49Å; T1308-F1312 PolarHBondContact O-N 3.28Å; F1309-F1312 AromaticContact CD1-CD2 3.57Å; F1309-F1312 HydrophobicContact CD1-CD2 3.57Å; F1309-F1312 HydrophobicContact CD1-CE2 4.27Å; F1309-F1312 HydrophobicContact CD1-CG 4.45Å; F1309-F1312 AromaticContact CE1-CD2 3.61Å; F1309-F1312 HydrophobicContact CE1-CD2 3.61Å; F1309-F1312 AromaticContact CE1-CE2 3.95Å; F1309-F1312 HydrophobicContact CE1-CE2 3.95Å; F1309-F1312 HydrophobicContact CG-CD2 4.25Å; F1309-F1312 HydrophobicContact CZ-CD2 4.3Å; F1309-F1312 HydrophobicContact CZ-CE2 4.22Å; F1309-F1312 CarbonylContact O-C 3.55Å; F1309-F1312 PolarHBondContact O-N 3.23Å; F1309-F1312 VanDerWaalsContact O-N 3.11Å; F1312-K1314 PolarHBondContact O-N 2.63Å; F1312-K1314 VanDerWaalsContact O-N 3.11Å; F1312-T1315 CarbonylContact O-C 3.47Å; F1312-T1315 PolarHBondContact O-N 2.03Å; F1312-P1316 VanDerWaalsContact O-CA 3.32Å; F1312-P1316 WeakPolarHBondContact O-CA 3.05Å; F1312-Y1319 VanDerWaalsContact CA-CD2 3.44Å; F1312-Y1319 HydrophobicContact CB-CD1 4.42Å; F1312-Y1319 HydrophobicContact CB-CD2 3.62Å; F1312-Y1319 HydrophobicContact CB-CE2 4.11Å; F1312-Y1319 HydrophobicContact CB-CG 3.81Å; F1312-Y1319 AromaticContact CD1-CD1 3.55Å; F1312-Y1319 HydrophobicContact CD1-CD1 3.55Å; F1312-Y1319 AromaticContact CD1-CD2 3.88Å; F1312-Y1319 HydrophobicContact CD1-CD2 3.88Å; F1312-Y1319 AromaticContact CD1-CE1 3.41Å; F1312-Y1319 HydrophobicContact CD1-CE1 3.41Å; F1312-Y1319 VanDerWaalsContact CD1-CE1 3.41Å; F1312-Y1319 AromaticContact CD1-CE2 3.71Å; F1312-Y1319 HydrophobicContact CD1-CE2 3.71Å; F1312-Y1319 AromaticContact CD1-CG 3.81Å; F1312-Y1319 HydrophobicContact CD1-CG 3.81Å; F1312-Y1319 AromaticContact CD1-CZ 3.49Å; F1312-Y1319 VanDerWaalsContact CD1-CZ 3.49Å; F1312-Y1319 HydrophobicContact CD2-CD1 4.28Å; F1312-Y1319 HydrophobicContact CD2-CG 4.31Å; F1312-Y1319 AromaticContact CE1-CD1 3.72Å; F1312-Y1319 HydrophobicContact CE1-CD1 3.72Å; F1312-Y1319 AromaticContact CE1-CE1 3.43Å; F1312-Y1319 HydrophobicContact CE1-CE1 3.43Å; F1312-Y1319 VanDerWaalsContact CE1-CE1 3.43Å; F1312-Y1319 HydrophobicContact CE1-CG 4.42Å; F1312-Y1319 AromaticContact CE1-CZ 3.88Å; F1312-Y1319 HydrophobicContact CE2-CD1 4.43Å; F1312-Y1319 AromaticContact CG-CD1 3.85Å; F1312-Y1319 HydrophobicContact CG-CD1 3.85Å; F1312-Y1319 AromaticContact CG-CD2 3.92Å; F1312-Y1319 HydrophobicContact CG-CD2 3.92Å; F1312-Y1319 HydrophobicContact CG-CE1 4.18Å; F1312-Y1319 HydrophobicContact CG-CE2 4.21Å; F1312-Y1319 AromaticContact CG-CG 3.73Å; F1312-Y1319 HydrophobicContact CG-CG 3.73Å; F1312-Y1319 HydrophobicContact CZ-CD1 4.15Å; F1312-Y1319 HydrophobicContact CZ-CE1 4.21Å; F1312-Y1319 WeakPolarHBondContact O-CD2 3.23Å |
| 1313 | C | 88 | Confident | 87 | Confident | 12 Ų | 12 | 40.9 Ų | 40.9 | 8% | 0.081 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.4 | -28.2 | 176 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | L1152 L1155 S1156 F1309 T1315 P1316 | L1152-C1313 HydrophobicContact CD1-CB 3.62Å; L1155-C1313 VanDerWaalsContact C-SG 3.58Å; S1156-C1313 VanDerWaalsContact CA-SG 3.56Å; S1156-C1313 PolarHBondContact N-SG 2.85Å; F1309-C1313 PolarHBondContact O-N 3.19Å; F1309-C1313 PolarHBondContact O-SG 3.22Å; C1313-T1315 VanDerWaalsContact C-N 3.29Å; C1313-T1315 PolarHBondContact O-N 2.04Å; C1313-P1316 VanDerWaalsContact O-CD 3.26Å; C1313-P1316 WeakPolarHBondContact O-CD 3.5Å |
| 1314 | K | 82.3 | Confident | 85.6 | Confident | 109 Ų | 109 | 40.7 Ų | 40.7 | 47% | 0.474 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.2 | -176.5 | -65.2 | 162.9 | -168.4 | 160.8 | 0 | 113.7 | K445 N1310 T1311 F1312 | K445-K1314 PolarHBondContact NZ-O 3.25Å; N1310-K1314 VanDerWaalsContact O-CE 3.28Å; N1310-K1314 WeakPolarHBondContact O-CE 3.04Å; N1310-K1314 WeakPolarHBondContact OD1-CE 3.34Å; N1310-K1314 PolarHBondContact OD1-NZ 2.96Å; T1311-K1314 PolarHBondContact O-N 2.92Å; F1312-K1314 PolarHBondContact O-N 2.63Å; F1312-K1314 VanDerWaalsContact O-N 3.11Å |
| 1315 | T | 76.3 | Confident | 84.3 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -143.9 | 72.1 | 170.1 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | W35 K445 F1312 C1313 R1318 Y1319 | W35-T1315 HydrophobicContact CD2-CG2 4.18Å; W35-T1315 HydrophobicContact CG-CG2 4.34Å; W35-T1315 HydrophobicContact CZ2-CG2 3.9Å; W35-T1315 VanDerWaalsContact NE1-CG2 3.27Å; K445-T1315 HydrophobicContact CD-CG2 4.04Å; K445-T1315 HydrophobicContact CG-CG2 4.43Å; F1312-T1315 CarbonylContact O-C 3.47Å; F1312-T1315 PolarHBondContact O-N 2.03Å; C1313-T1315 VanDerWaalsContact C-N 3.29Å; C1313-T1315 PolarHBondContact O-N 2.04Å; T1315-R1318 WeakPolarHBondContact O-CB 3.47Å; T1315-R1318 PolarHBondContact O-N 2.86Å; T1315-Y1319 WeakPolarHBondContact O-CD2 3.16Å; T1315-Y1319 WeakPolarHBondContact OG1-CE2 3.39Å |
| 1316 | P | 80.9 | Confident | 82.8 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -75.7 | -38.7 | -157.4 | 26 | -27 | 0 | 0 | 0 | 112.3 | S1151 L1152 L1155 F1312 C1313 R1318 Y1319 L1320 Y1327 | S1151-P1316 VanDerWaalsContact CB-C 3.44Å; S1151-P1316 WeakPolarHBondContact CB-O 3.3Å; L1152-P1316 HydrophobicContact CB-CB 3.99Å; L1152-P1316 HydrophobicContact CB-CG 3.73Å; L1152-P1316 HydrophobicContact CD1-CB 4.19Å; L1152-P1316 HydrophobicContact CD1-CG 4.1Å; L1152-P1316 HydrophobicContact CG-CG 4.45Å; L1155-P1316 HydrophobicContact CD1-CB 3.6Å; L1155-P1316 VanDerWaalsContact CD1-O 3.22Å; L1155-P1316 WeakPolarHBondContact CD1-O 3.41Å; F1312-P1316 VanDerWaalsContact O-CA 3.32Å; F1312-P1316 WeakPolarHBondContact O-CA 3.05Å; C1313-P1316 VanDerWaalsContact O-CD 3.26Å; C1313-P1316 WeakPolarHBondContact O-CD 3.5Å; P1316-R1318 PolarHBondContact O-N 3.02Å; P1316-Y1319 WeakPolarHBondContact O-CA 3.34Å; P1316-Y1319 PolarHBondContact O-N 2.03Å; P1316-L1320 PolarHBondContact O-N 3.14Å; P1316-Y1327 HydrophobicContact CG-CD1 3.6Å; P1316-Y1327 HydrophobicContact CG-CD2 3.78Å; P1316-Y1327 HydrophobicContact CG-CE1 4Å; P1316-Y1327 HydrophobicContact CG-CE2 4.19Å; P1316-Y1327 HydrophobicContact CG-CG 3.48Å; P1316-Y1327 VanDerWaalsContact CG-CG 3.48Å |
| 1317 | G | 75.5 | Confident | 81.6 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.3 | 1.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1151 L1320 Y1327 | S1151-G1317 WeakPolarHBondContact OG-CA 3.39Å; S1151-G1317 PolarHBondContact OG-N 3.48Å; G1317-L1320 CarbonylContact C-O 3.56Å; G1317-L1320 VanDerWaalsContact CA-O 3.25Å; G1317-L1320 WeakPolarHBondContact CA-O 3.41Å; G1317-Y1327 VanDerWaalsContact CA-O 3.3Å; G1317-Y1327 WeakPolarHBondContact CA-O 3.33Å |
| 1318 | R | 82.3 | Confident | 80.1 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.8 | -45.5 | 161.3 | -162.4 | -106.3 | -169.7 | 81.3 | 30.6 | 110.4 | W17 W35 E36 K41 T1281 T1315 P1316 I1329 | W17-R1318 HydrophobicContact CE3-CG 4.31Å; W17-R1318 HydrophobicContact CH2-CG 3.85Å; W17-R1318 HydrophobicContact CZ3-CG 3.57Å; W35-R1318 PolarHBondContact O-NH2 2.88Å; E36-R1318 VanDerWaalsContact C-CZ 3.48Å; E36-R1318 VanDerWaalsContact C-NH1 3.32Å; E36-R1318 PolarHBondContact O-NE 3.17Å; E36-R1318 PolarHBondContact O-NH1 3.42Å; E36-R1318 PolarHBondContact O-NH2 3.29Å; K41-R1318 WeakPolarHBondContact CD-O 3.5Å; K41-R1318 WeakPolarHBondContact CE-O 3.47Å; T1281-R1318 PolarHBondContact OG1-O 3.24Å; T1315-R1318 WeakPolarHBondContact O-CB 3.47Å; T1315-R1318 PolarHBondContact O-N 2.86Å; P1316-R1318 PolarHBondContact O-N 3.02Å; R1318-I1329 HydrophobicContact CB-CD1 3.79Å; R1318-I1329 HydrophobicContact CG-CD1 3.79Å |
| 1319 | Y | 86.6 | Confident | 78 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -88.4 | -26.7 | -168.9 | -69.3 | -70.1 | 0 | 0 | 0 | 113.6 | E36 D38 T1281 V1284 F1312 T1315 P1316 | E36-Y1319 PolarHBondContact O-OH 3.49Å; E36-Y1319 PolarHBondContact OE2-OH 2.82Å; D38-Y1319 HydrophobicContact CB-CD1 4.43Å; D38-Y1319 HydrophobicContact CB-CE1 4.01Å; D38-Y1319 WeakPolarHBondContact OD2-CD1 3.49Å; T1281-Y1319 VanDerWaalsContact OG1-C 3.27Å; T1281-Y1319 PolarHBondContact OG1-O 3.03Å; V1284-Y1319 HydrophobicContact CG2-CD1 4.33Å; V1284-Y1319 HydrophobicContact CG2-CG 4.45Å; V1284-Y1319 WeakPolarHBondContact CG2-O 3.27Å; F1312-Y1319 VanDerWaalsContact CA-CD2 3.44Å; F1312-Y1319 HydrophobicContact CB-CD1 4.42Å; F1312-Y1319 HydrophobicContact CB-CD2 3.62Å; F1312-Y1319 HydrophobicContact CB-CE2 4.11Å; F1312-Y1319 HydrophobicContact CB-CG 3.81Å; F1312-Y1319 AromaticContact CD1-CD1 3.55Å; F1312-Y1319 HydrophobicContact CD1-CD1 3.55Å; F1312-Y1319 AromaticContact CD1-CD2 3.88Å; F1312-Y1319 HydrophobicContact CD1-CD2 3.88Å; F1312-Y1319 AromaticContact CD1-CE1 3.41Å; F1312-Y1319 HydrophobicContact CD1-CE1 3.41Å; F1312-Y1319 VanDerWaalsContact CD1-CE1 3.41Å; F1312-Y1319 AromaticContact CD1-CE2 3.71Å; F1312-Y1319 HydrophobicContact CD1-CE2 3.71Å; F1312-Y1319 AromaticContact CD1-CG 3.81Å; F1312-Y1319 HydrophobicContact CD1-CG 3.81Å; F1312-Y1319 AromaticContact CD1-CZ 3.49Å; F1312-Y1319 VanDerWaalsContact CD1-CZ 3.49Å; F1312-Y1319 HydrophobicContact CD2-CD1 4.28Å; F1312-Y1319 HydrophobicContact CD2-CG 4.31Å; F1312-Y1319 AromaticContact CE1-CD1 3.72Å; F1312-Y1319 HydrophobicContact CE1-CD1 3.72Å; F1312-Y1319 AromaticContact CE1-CE1 3.43Å; F1312-Y1319 HydrophobicContact CE1-CE1 3.43Å; F1312-Y1319 VanDerWaalsContact CE1-CE1 3.43Å; F1312-Y1319 HydrophobicContact CE1-CG 4.42Å; F1312-Y1319 AromaticContact CE1-CZ 3.88Å; F1312-Y1319 HydrophobicContact CE2-CD1 4.43Å; F1312-Y1319 AromaticContact CG-CD1 3.85Å; F1312-Y1319 HydrophobicContact CG-CD1 3.85Å; F1312-Y1319 AromaticContact CG-CD2 3.92Å; F1312-Y1319 HydrophobicContact CG-CD2 3.92Å; F1312-Y1319 HydrophobicContact CG-CE1 4.18Å; F1312-Y1319 HydrophobicContact CG-CE2 4.21Å; F1312-Y1319 AromaticContact CG-CG 3.73Å; F1312-Y1319 HydrophobicContact CG-CG 3.73Å; F1312-Y1319 HydrophobicContact CZ-CD1 4.15Å; F1312-Y1319 HydrophobicContact CZ-CE1 4.21Å; F1312-Y1319 WeakPolarHBondContact O-CD2 3.23Å; T1315-Y1319 WeakPolarHBondContact O-CD2 3.16Å; T1315-Y1319 WeakPolarHBondContact OG1-CE2 3.39Å; P1316-Y1319 WeakPolarHBondContact O-CA 3.34Å; P1316-Y1319 PolarHBondContact O-N 2.03Å |
| 1320 | L | 86.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -128.4 | 138.4 | 163.1 | -55.5 | 172 | 0 | 0 | 0 | 109.6 | L1154 L1155 F1249 I1279 C1280 V1284 P1316 G1317 | L1154-L1320 HydrophobicContact CB-CD1 3.49Å; L1154-L1320 VanDerWaalsContact CB-CD1 3.49Å; L1154-L1320 HydrophobicContact CD1-CD1 4.03Å; L1154-L1320 HydrophobicContact CG-CD1 4.3Å; L1155-L1320 HydrophobicContact CD1-CD1 4.24Å; L1155-L1320 HydrophobicContact CD1-CG 4.09Å; L1155-L1320 HydrophobicContact CD2-CD1 4.02Å; L1155-L1320 HydrophobicContact CD2-CG 3.98Å; L1155-L1320 HydrophobicContact CG-CD1 3.68Å; L1155-L1320 HydrophobicContact CG-CG 3.92Å; F1249-L1320 HydrophobicContact CB-CD2 4.37Å; F1249-L1320 HydrophobicContact CD1-CD1 3.49Å; F1249-L1320 VanDerWaalsContact CD1-CD1 3.49Å; F1249-L1320 HydrophobicContact CD1-CD2 3.8Å; F1249-L1320 HydrophobicContact CD1-CG 4.32Å; F1249-L1320 HydrophobicContact CD2-CD2 4.1Å; F1249-L1320 HydrophobicContact CE1-CD1 3.47Å; F1249-L1320 VanDerWaalsContact CE1-CD1 3.47Å; F1249-L1320 HydrophobicContact CE1-CD2 4.07Å; F1249-L1320 HydrophobicContact CE1-CG 4.36Å; F1249-L1320 HydrophobicContact CE2-CD2 4.3Å; F1249-L1320 HydrophobicContact CG-CD1 4.35Å; F1249-L1320 HydrophobicContact CG-CD2 3.83Å; F1249-L1320 HydrophobicContact CZ-CD1 4.26Å; F1249-L1320 HydrophobicContact CZ-CD2 4.3Å; I1279-L1320 HydrophobicContact CD1-CD1 4.4Å; I1279-L1320 HydrophobicContact CG1-CB 4.24Å; I1279-L1320 HydrophobicContact CG1-CD2 4.14Å; I1279-L1320 CarbonylContact O-C 3.59Å; I1279-L1320 VanDerWaalsContact O-CA 3.22Å; I1279-L1320 WeakPolarHBondContact O-CA 3.31Å; C1280-L1320 HydrophobicContact CB-CD2 4.48Å; V1284-L1320 HydrophobicContact CB-CD2 4.31Å; V1284-L1320 HydrophobicContact CG1-CD2 3.96Å; V1284-L1320 HydrophobicContact CG2-CD2 4.24Å; P1316-L1320 PolarHBondContact O-N 3.14Å; G1317-L1320 CarbonylContact C-O 3.56Å; G1317-L1320 VanDerWaalsContact CA-O 3.25Å; G1317-L1320 WeakPolarHBondContact CA-O 3.41Å |
| 1321 | Y | 81.8 | Confident | 72.5 | Confident | 83 Ų | 83 | 35 Ų | 35 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | trans | -107.3 | 104.9 | 174.8 | 174.8 | -98.8 | 0 | 0 | 0 | 110 | I1279 A1328 | I1279-Y1321 VanDerWaalsContact CA-O 3.24Å; I1279-Y1321 WeakPolarHBondContact CA-O 3.44Å; I1279-Y1321 WeakPolarHBondContact CB-O 3.46Å; I1279-Y1321 WeakPolarHBondContact CG2-O 3.35Å; I1279-Y1321 PolarHBondContact O-N 3.12Å; Y1321-A1328 HydrophobicContact CD2-CB 4.27Å; Y1321-A1328 HydrophobicContact CE2-CB 4.43Å | ||
| 1322 | I | 81.4 | Confident | 69.6 | Low | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.056 | 18% | 0.182 | C | C | . | . | trans | -110.2 | 133.3 | 174.2 | -51.9 | 171.4 | 0 | 0 | 0 | 107.9 | L1149 L1154 F1251 I1279 G1324 D1325 | L1149-I1322 VanDerWaalsContact O-CD1 3.24Å; L1149-I1322 WeakPolarHBondContact O-CD1 3.44Å; L1149-I1322 WeakPolarHBondContact O-CG2 3.33Å; L1154-I1322 HydrophobicContact CD1-CD1 3.66Å; L1154-I1322 HydrophobicContact CG-CD1 4.36Å; F1251-I1322 HydrophobicContact CE1-CD1 4.26Å; F1251-I1322 HydrophobicContact CE2-CG2 4.49Å; F1251-I1322 HydrophobicContact CZ-CD1 3.92Å; F1251-I1322 HydrophobicContact CZ-CG1 3.99Å; F1251-I1322 HydrophobicContact CZ-CG2 3.78Å; I1279-I1322 HydrophobicContact CB-CG1 4Å; I1279-I1322 HydrophobicContact CD1-CD1 4.01Å; I1279-I1322 HydrophobicContact CD1-CG1 3.85Å; I1279-I1322 HydrophobicContact CG1-CG1 4.35Å; I1279-I1322 HydrophobicContact CG2-CG1 4.08Å; I1322-G1324 PolarHBondContact O-N 2.89Å; I1322-G1324 VanDerWaalsContact O-N 3.15Å; I1322-D1325 HydrophobicContact CB-CB 3.77Å; I1322-D1325 HydrophobicContact CG2-CB 4.45Å; I1322-D1325 WeakPolarHBondContact O-CB 3.09Å; I1322-D1325 PolarHBondContact O-N 2.76Å | ||
| 1323 | E | 66.3 | Low | 66.8 | Low | 164 Ų | 164 | 40.4 Ų | 40.4 | 77% | 0.766 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 112.1 | -179.2 | -168.9 | 169.5 | -175.4 | 0 | 0 | 109.9 | ||
| 1324 | G | 65.1 | Low | 64 | Low | 62 Ų | 62 | 42.4 Ų | 42.4 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.7 | -8.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L360 I1322 Q1326 | L360-G1324 WeakPolarHBondContact CD2-O 3.25Å; I1322-G1324 PolarHBondContact O-N 2.89Å; I1322-G1324 VanDerWaalsContact O-N 3.15Å; G1324-Q1326 PolarHBondContact O-N 2.87Å |
| 1325 | D | 69.8 | Low | 61.5 | Low | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | trans | -64.8 | 129.5 | 178 | 158.2 | 27.4 | 0 | 0 | 0 | 112.7 | N1150 S1151 I1322 Y1327 A1328 | N1150-D1325 HydrophobicContact CB-CB 4.2Å; N1150-D1325 WeakPolarHBondContact CB-OD1 3.48Å; S1151-D1325 WeakPolarHBondContact CB-OD2 3.24Å; S1151-D1325 PolarHBondContact N-OD2 2.98Å; S1151-D1325 PolarHBondContact OG-OD2 3.11Å; I1322-D1325 HydrophobicContact CB-CB 3.77Å; I1322-D1325 HydrophobicContact CG2-CB 4.45Å; I1322-D1325 WeakPolarHBondContact O-CB 3.09Å; I1322-D1325 PolarHBondContact O-N 2.76Å; D1325-Y1327 PolarHBondContact O-N 3.44Å; D1325-Y1327 VanDerWaalsContact O-N 3.17Å; D1325-Y1327 WeakPolarHBondContact OD1-CD2 3.36Å; D1325-Y1327 PolarHBondContact OD1-N 3.14Å; D1325-A1328 HydrophobicContact CB-CB 3.92Å; D1325-A1328 WeakPolarHBondContact O-CB 3.34Å; D1325-A1328 PolarHBondContact O-N 3.37Å | ||
| 1326 | Q | 66.6 | Low | 59 | Low | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -37.4 | 177.3 | 65 | -150.2 | 53.8 | 0 | 0 | 115.8 | E351 S359 L360 N361 Y382 Y416 N1150 G1324 | E351-Q1326 VanDerWaalsContact OE1-CD 3.31Å; E351-Q1326 VanDerWaalsContact OE1-CG 3.28Å; E351-Q1326 WeakPolarHBondContact OE1-CG 3.29Å; E351-Q1326 PolarHBondContact OE1-NE2 3.22Å; S359-Q1326 PolarHBondContact O-NE2 3.17Å; S359-Q1326 PolarHBondContact O-OE1 3.06Å; L360-Q1326 VanDerWaalsContact CA-OE1 3.3Å; N361-Q1326 VanDerWaalsContact CG-OE1 3.29Å; N361-Q1326 PolarHBondContact ND2-NE2 3.3Å; N361-Q1326 VanDerWaalsContact ND2-NE2 3.18Å; N361-Q1326 PolarHBondContact OD1-NE2 3.01Å; N361-Q1326 PolarHBondContact OD1-OE1 3.26Å; Y382-Q1326 HydrophobicContact CE1-CB 4.25Å; Y382-Q1326 HydrophobicContact CE2-CB 3.67Å; Y382-Q1326 VanDerWaalsContact CZ-CB 3.43Å; Y382-Q1326 WeakPolarHBondContact OH-CA 3.09Å; Y382-Q1326 WeakPolarHBondContact OH-CB 3.32Å; Y382-Q1326 PolarHBondContact OH-O 3Å; Y416-Q1326 PolarHBondContact OH-O 3.38Å; Y416-Q1326 VanDerWaalsContact OH-O 3.04Å; N1150-Q1326 PolarHBondContact ND2-NE2 2.04Å; N1150-Q1326 PolarHBondContact ND2-OE1 3.15Å; G1324-Q1326 PolarHBondContact O-N 2.87Å |
| 1327 | Y | 71.4 | Confident | 56.4 | Low | 30 Ų | 30 | 44.9 Ų | 44.9 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -18.5 | -178.9 | -56.8 | -78.4 | 0 | 0 | 0 | 112.1 | E351 N1150 S1151 L1152 P1316 G1317 D1325 I1329 | E351-Y1327 HydrophobicContact CB-CE1 4.44Å; E351-Y1327 WeakPolarHBondContact CB-OH 3.03Å; E351-Y1327 VanDerWaalsContact CD-OH 3.25Å; E351-Y1327 HydrophobicContact CG-CE1 4.14Å; E351-Y1327 WeakPolarHBondContact CG-OH 3.43Å; E351-Y1327 WeakPolarHBondContact OE1-CE1 3.3Å; E351-Y1327 WeakPolarHBondContact OE2-CE1 3.05Å; N1150-Y1327 WeakPolarHBondContact ND2-CE2 3.41Å; S1151-Y1327 WeakPolarHBondContact OG-CB 3.07Å; L1152-Y1327 HydrophobicContact CB-CD2 3.82Å; L1152-Y1327 HydrophobicContact CB-CE2 3.2Å; L1152-Y1327 HydrophobicContact CD2-CE2 4.12Å; L1152-Y1327 WeakPolarHBondContact CD2-OH 3.38Å; L1152-Y1327 HydrophobicContact CG-CE2 4.28Å; P1316-Y1327 HydrophobicContact CG-CD1 3.6Å; P1316-Y1327 HydrophobicContact CG-CD2 3.78Å; P1316-Y1327 HydrophobicContact CG-CE1 4Å; P1316-Y1327 HydrophobicContact CG-CE2 4.19Å; P1316-Y1327 HydrophobicContact CG-CG 3.48Å; P1316-Y1327 VanDerWaalsContact CG-CG 3.48Å; G1317-Y1327 VanDerWaalsContact CA-O 3.3Å; G1317-Y1327 WeakPolarHBondContact CA-O 3.33Å; D1325-Y1327 PolarHBondContact O-N 3.44Å; D1325-Y1327 VanDerWaalsContact O-N 3.17Å; D1325-Y1327 WeakPolarHBondContact OD1-CD2 3.36Å; D1325-Y1327 PolarHBondContact OD1-N 3.14Å; Y1327-I1329 PolarHBondContact O-N 3.16Å; Y1327-I1329 VanDerWaalsContact O-N 3.08Å |
| 1328 | A | 60 | Low | 54.2 | Low | 7 Ų | 7 | 46.3 Ų | 46.3 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -55.4 | 121.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 107 | Y1321 D1325 N1330 | Y1321-A1328 HydrophobicContact CD2-CB 4.27Å; Y1321-A1328 HydrophobicContact CE2-CB 4.43Å; D1325-A1328 HydrophobicContact CB-CB 3.92Å; D1325-A1328 WeakPolarHBondContact O-CB 3.34Å; D1325-A1328 PolarHBondContact O-N 3.37Å; A1328-N1330 PolarHBondContact O-N 3Å |
| 1329 | I | 51.8 | Low | 51.8 | Low | 23 Ų | 23 | 51.8 Ų | 51.8 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | trans | -59.9 | 110.4 | -171.5 | -64.3 | 171.1 | 0 | 0 | 0 | 106.7 | C16 W17 R1318 Y1327 Y1331 | C16-I1329 HydrophobicContact CB-CG2 3.72Å; W17-I1329 HydrophobicContact CD2-CD1 4.1Å; W17-I1329 HydrophobicContact CE3-CD1 4.32Å; W17-I1329 HydrophobicContact CH2-CD1 3.92Å; W17-I1329 HydrophobicContact CZ2-CD1 3.6Å; W17-I1329 HydrophobicContact CZ3-CD1 4.27Å; R1318-I1329 HydrophobicContact CB-CD1 3.79Å; R1318-I1329 HydrophobicContact CG-CD1 3.79Å; Y1327-I1329 PolarHBondContact O-N 3.16Å; Y1327-I1329 VanDerWaalsContact O-N 3.08Å; I1329-Y1331 VanDerWaalsContact C-N 3.29Å; I1329-Y1331 WeakPolarHBondContact O-CD2 3.44Å; I1329-Y1331 PolarHBondContact O-N 3.19Å | ||
| 1330 | N | 40.8 | Very low | 49.7 | Very low | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | trans | -73.6 | 87.6 | -163 | -119.3 | -44.2 | 0 | 0 | 0 | 109.6 | Y416 A1328 F1332 | Y416-N1330 PolarHBondContact OH-ND2 3.26Å; Y416-N1330 VanDerWaalsContact OH-ND2 3.08Å; A1328-N1330 PolarHBondContact O-N 3Å; N1330-F1332 PolarHBondContact O-N 2.92Å | ||
| 1331 | Y | 29 | Very low | 47.3 | Very low | 59 Ų | 59 | 62.5 Ų | 62.5 | 23% | 0.231 | 37% | 0.367 | C | S | . | . | trans | -61 | 80 | 178.6 | -92 | -87 | 0 | 0 | 0 | 108.9 | A13 W17 N43 I1329 H1333 | A13-Y1331 HydrophobicContact CB-CD1 3.81Å; A13-Y1331 HydrophobicContact CB-CG 4.24Å; A13-Y1331 WeakPolarHBondContact CB-O 3.45Å; A13-Y1331 WeakPolarHBondContact O-CD1 3.06Å; W17-Y1331 AromaticContact CE2-CZ 3.87Å; W17-Y1331 VanDerWaalsContact CE2-OH 3.29Å; W17-Y1331 AromaticContact CZ2-CE2 3.85Å; W17-Y1331 HydrophobicContact CZ2-CE2 3.85Å; W17-Y1331 AromaticContact CZ2-CZ 3.9Å; W17-Y1331 WeakPolarHBondContact CZ2-OH 3.24Å; W17-Y1331 AromaticContact NE1-CE1 4Å; W17-Y1331 AromaticContact NE1-CE2 3.65Å; W17-Y1331 AromaticContact NE1-CZ 3.31Å; W17-Y1331 VanDerWaalsContact NE1-CZ 3.31Å; W17-Y1331 PolarHBondContact NE1-OH 3.48Å; W17-Y1331 VanDerWaalsContact NE1-OH 3.11Å; N43-Y1331 PolarHBondContact OD1-OH 3.46Å; I1329-Y1331 VanDerWaalsContact C-N 3.29Å; I1329-Y1331 WeakPolarHBondContact O-CD2 3.44Å; I1329-Y1331 PolarHBondContact O-N 3.19Å; Y1331-H1333 PolarHBondContact O-N 2.04Å | ||
| 1332 | F | 28.5 | Very low | 44.7 | Very low | 66 Ų | 66 | 68 Ų | 68 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | trans | -65.6 | 98.6 | -165.7 | -125.2 | -77.2 | 0 | 0 | 0 | 113 | F12 A13 S448 N1330 N1334 | F12-F1332 CarbonylContact C-O 3.4Å; F12-F1332 VanDerWaalsContact CB-O 3.27Å; F12-F1332 WeakPolarHBondContact CB-O 3.08Å; A13-F1332 PolarHBondContact N-O 3.4Å; S448-F1332 VanDerWaalsContact OG-CB 3.31Å; S448-F1332 WeakPolarHBondContact OG-CB 3.11Å; S448-F1332 WeakPolarHBondContact OG-CD2 3.04Å; S448-F1332 WeakPolarHBondContact OG-CG 3.37Å; N1330-F1332 PolarHBondContact O-N 2.92Å; F1332-N1334 PolarHBondContact O-N 2.94Å | ||
| 1333 | H | 31.3 | Very low | 42.1 | Very low | 111 Ų | 111 | 68.2 Ų | 68.2 | 51% | 0.514 | 40% | 0.395 | S | S | . | . | trans | -79.3 | 94.7 | -173.3 | -96.4 | -165.9 | 0 | 0 | 0 | 110.9 | V9 Y1331 | V9-H1333 HydrophobicContact CB-CB 3.99Å; V9-H1333 HydrophobicContact CG1-CB 3.56Å; V9-H1333 VanDerWaalsContact CG1-CD2 3.43Å; V9-H1333 WeakPolarHBondContact CG1-CD2 3.07Å; V9-H1333 WeakPolarHBondContact CG1-CE1 3.42Å; V9-H1333 WeakPolarHBondContact CG1-ND1 3.48Å; V9-H1333 VanDerWaalsContact CG2-C 3.44Å; V9-H1333 HydrophobicContact CG2-CB 3.92Å; V9-H1333 WeakPolarHBondContact O-CA 3.02Å; V9-H1333 PolarHBondContact O-CD2 3.2Å; Y1331-H1333 PolarHBondContact O-N 2.04Å | ||
| 1334 | N | 28.8 | Very low | 40.2 | Very low | 54 Ų | 54 | 62 Ų | 62 | 29% | 0.289 | 37% | 0.369 | S | S | . | . | trans | -116.5 | 144.6 | -179.4 | 177.3 | 51.7 | 0 | 0 | 0 | 114.6 | L8 V9 F12 F1332 | L8-N1334 CarbonylContact C-O 3.35Å; L8-N1334 VanDerWaalsContact CB-O 3.23Å; L8-N1334 WeakPolarHBondContact CB-O 3.44Å; L8-N1334 VanDerWaalsContact O-O 3.06Å; V9-N1334 WeakPolarHBondContact CA-O 3.01Å; V9-N1334 PolarHBondContact N-O 3.49Å; F12-N1334 HydrophobicContact CB-CB 3.91Å; F12-N1334 HydrophobicContact CD1-CB 4.32Å; F12-N1334 HydrophobicContact CD2-CB 3.75Å; F12-N1334 WeakPolarHBondContact CD2-ND2 3.06Å; F12-N1334 WeakPolarHBondContact CD2-O 3.41Å; F12-N1334 HydrophobicContact CE2-CB 4.38Å; F12-N1334 WeakPolarHBondContact CE2-ND2 3.35Å; F12-N1334 HydrophobicContact CG-CB 3.73Å; F12-N1334 VanDerWaalsContact CZ-ND2 3.3Å; F12-N1334 WeakPolarHBondContact CZ-ND2 3.43Å; F1332-N1334 PolarHBondContact O-N 2.94Å | ||
| 1335 | T | 29.7 | Very low | 38.4 | Very low | 58 Ų | 58 | 61.8 Ų | 61.8 | 36% | 0.356 | 35% | 0.352 | S | S | . | . | trans | -108.4 | 144.2 | -133.1 | 60.9 | 0 | 0 | 0 | 0 | 121 | L5 V9 | L5-T1335 HydrophobicContact CB-CG2 4.27Å; L5-T1335 HydrophobicContact CD2-CG2 3.93Å; L5-T1335 HydrophobicContact CG-CG2 4.23Å; L5-T1335 WeakPolarHBondContact O-CA 3.49Å; V9-T1335 HydrophobicContact CG2-CG2 3.77Å | ||
| 1336 | N | 24.1 | Very low | 36.7 | Very low | 57 Ų | 57 | 61.8 Ų | 61.8 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | trans | 105.8 | 94.4 | 161.2 | -63.9 | -71.8 | 0 | 0 | 0 | 123.3 | L4 L5 L8 | L4-N1336 HydrophobicContact CB-CB 4.19Å; L4-N1336 WeakPolarHBondContact CB-OD1 3.24Å; L4-N1336 CarbonylContact O-C 3.57Å; L4-N1336 WeakPolarHBondContact O-CA 3.49Å; L5-N1336 WeakPolarHBondContact CA-OD1 3.25Å; L5-N1336 WeakPolarHBondContact CD1-OD1 3.29Å; L5-N1336 WeakPolarHBondContact CG-OD1 3.21Å; L5-N1336 PolarHBondContact N-OD1 3.43Å; L5-N1336 VanDerWaalsContact N-OD1 3.12Å; L5-N1336 PolarHBondContact O-N 3.07Å; L5-N1336 VanDerWaalsContact O-N 3.09Å; L8-N1336 WeakPolarHBondContact CD1-O 3.23Å; L8-N1336 WeakPolarHBondContact CG-O 3.21Å | ||
| 1337 | S | 27.6 | Very low | 34.8 | Very low | 61 Ų | 61 | 65.6 Ų | 65.6 | 43% | 0.427 | 37% | 0.37 | S | S | . | . | 151.1 | 137.9 | 123.8 | -67.1 | 0 | 0 | 0 | 0 | 117.2 | L4 T7 | L4-S1337 PolarHBondContact O-N 3.11Å; T7-S1337 WeakPolarHBondContact CB-O 3.27Å; T7-S1337 WeakPolarHBondContact OG1-CA 3.19Å; T7-S1337 PolarHBondContact OG1-N 2.88Å; T7-S1337 VanDerWaalsContact OG1-N 3.08Å; T7-S1337 PolarHBondContact OG1-O 2.89Å | |||
| 1338 | G | 27.8 | Very low | 32.8 | Very low | 35 Ų | 35 | 67.3 Ų | 67.3 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | trans | -87 | 179.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T7 | T7-G1338 PolarHBondContact OG1-N 3.11Š| ||
| 1339 | S | 32.7 | Very low | 31.1 | Very low | 123 Ų | 123 | 69.5 Ų | 69.5 | 86% | 0.86 | 39% | 0.389 | S | S | * | . | cis | -158 | 139.7 | 8 | -61 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1340 | G | 42.2 | Very low | 29.8 | Very low | 69 Ų | 69 | 74.7 Ų | 74.7 | 71% | 0.711 | 41% | 0.413 | S | S | * | . | trans | 74.7 | 158.4 | 162 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1341 | N | 37.1 | Very low | 29 | Very low | 158 Ų | 158 | 74.5 Ų | 74.5 | 85% | 0.845 | 42% | 0.416 | S | S | * | . | cis | -148.7 | 135.8 | -9 | -80.7 | -16.5 | 0 | 0 | 0 | 107.9 | ||||
| 1342 | F | 27.6 | Very low | 28.8 | Very low | 198 Ų | 198 | 78.7 Ų | 78.7 | 87% | 0.868 | 44% | 0.439 | S | S | * | . | trans | 161.3 | 134.2 | 154.2 | -110.5 | -127.5 | 0 | 0 | 0 | 108.2 | ||||
| 1343 | S | 25 | Very low | 28.8 | Very low | 17 Ų | 17 | 82.5 Ų | 82.5 | 12% | 0.119 | 46% | 0.462 | C | S | . | . | cis | -171.2 | 77.1 | -30.9 | 45.7 | 0 | 0 | 0 | 0 | 107.2 | L74 E75 | L74-S1343 CarbonylContact C-O 3.57Å; L74-S1343 WeakPolarHBondContact CA-O 3.5Å; L74-S1343 VanDerWaalsContact CB-O 3.27Å; L74-S1343 WeakPolarHBondContact CB-O 3.32Å; L74-S1343 WeakPolarHBondContact CD2-O 2.98Å; E75-S1343 PolarHBondContact N-O 2.97Å; E75-S1343 WeakPolarHBondContact OE1-CA 3.4Å | ||
| 1344 | S | 27.6 | Very low | 28.4 | Very low | 32 Ų | 32 | 81.5 Ų | 81.5 | 22% | 0.224 | 47% | 0.467 | C | S | . | . | trans | 43.4 | -165.8 | -171.7 | 80.2 | 0 | 0 | 0 | 0 | 115.6 | K73 L74 E75 | K73-S1344 CarbonylContact O-C 3.59Å; K73-S1344 PolarHBondContact O-OG 3.42Å; L74-S1344 WeakPolarHBondContact CD2-O 3.43Å; E75-S1344 WeakPolarHBondContact CA-OG 3.44Å; E75-S1344 WeakPolarHBondContact CG-OG 3.46Å; E75-S1344 PolarHBondContact N-OG 3.29Å; E75-S1344 PolarHBondContact OE1-N 2.94Å; E75-S1344 VanDerWaalsContact OE1-N 3.11Å | ||
| 1345 | E | 27.9 | Very low | 28.2 | Very low | 59 Ų | 59 | 84.7 Ų | 84.7 | 28% | 0.276 | 49% | 0.488 | S | S | . | . | cis | -107.9 | 160 | -39.6 | -79.8 | -179.1 | 112.7 | 0 | 0 | 106.6 | K45 E72 K73 | K45-E1345 HydrophobicContact CD-CB 4.44Å; K45-E1345 HydrophobicContact CD-CG 4.31Å; K45-E1345 HydrophobicContact CG-CB 4.21Å; K45-E1345 IonicContact NZ-OE1 3.22Å; K45-E1345 PolarHBondContact NZ-OE1 2.96Å; K45-E1345 CarbonylContact O-C 3.47Å; K45-E1345 WeakPolarHBondContact O-CA 3.18Å; E72-E1345 HydrophobicContact CB-CB 3.14Å; E72-E1345 HydrophobicContact CB-CG 4.11Å; E72-E1345 WeakPolarHBondContact CB-OE2 2.99Å; E72-E1345 HydrophobicContact CG-CB 4.2Å; K73-E1345 PolarHBondContact N-OE2 3.32Å; K73-E1345 WeakPolarHBondContact O-CB 3.05Å; K73-E1345 WeakPolarHBondContact O-CG 3.38Å; K73-E1345 PolarHBondContact O-N 3.17Å | ||
| 1346 | S | 32.9 | Very low | 28 | Very low | 3 Ų | 3 | 93.3 Ų | 93.3 | 2% | 0.021 | 52% | 0.515 | C | S | . | . | trans | 171.3 | 62.9 | -175.7 | 25.8 | 0 | 0 | 0 | 0 | 114.4 | N43 P44 K45 H46 I47 E72 | N43-S1346 CarbonylContact C-O 3.48Å; P44-S1346 CarbonylContact C-O 3.46Å; P44-S1346 WeakPolarHBondContact CA-O 3.07Å; K45-S1346 VanDerWaalsContact CA-C 3.43Å; K45-S1346 WeakPolarHBondContact CA-O 3.24Å; K45-S1346 VanDerWaalsContact CG-N 3.26Å; K45-S1346 PolarHBondContact N-O 3.11Å; K45-S1346 PolarHBondContact O-OG 3.08Å; H46-S1346 PolarHBondContact N-OG 2.97Å; H46-S1346 VanDerWaalsContact N-OG 3.12Å; I47-S1346 PolarHBondContact N-OG 2.77Å; E72-S1346 VanDerWaalsContact OE2-CA 3.25Å; E72-S1346 WeakPolarHBondContact OE2-CA 3.33Å; E72-S1346 PolarHBondContact OE2-N 3.43Å | ||
| 1347 | H | 27.2 | Very low | 28.1 | Very low | 88 Ų | 88 | 93.6 Ų | 93.6 | 41% | 0.407 | 53% | 0.531 | S | S | . | . | trans | -72 | -176.5 | -152.3 | -136 | -177.1 | 0 | 0 | 0 | 121.7 | P42 N43 K45 E72 | P42-H1347 CarbonylContact C-O 3.58Å; P42-H1347 WeakPolarHBondContact CB-O 3.28Å; N43-H1347 CarbonylContact C-O 2.88Å; N43-H1347 PolarHBondContact N-O 2.93Å; K45-H1347 HydrophobicContact CD-CB 4.27Å; K45-H1347 VanDerWaalsContact CD-CD2 3.47Å; K45-H1347 WeakPolarHBondContact CD-CD2 3.3Å; K45-H1347 WeakPolarHBondContact CE-ND1 3.31Å; K45-H1347 HydrophobicContact CG-CB 3.89Å; K45-H1347 VanDerWaalsContact CG-CD2 3.43Å; K45-H1347 WeakPolarHBondContact CG-CD2 3.14Å; E72-H1347 PolarHBondContact OE2-N 3.41Å | ||
| 1348 | E | 28.5 | Very low | 28.2 | Very low | 65 Ų | 65 | 97.5 Ų | 97.5 | 30% | 0.304 | 55% | 0.545 | S | S | . | . | trans | 64.5 | 156.8 | 167.8 | -60 | 120.8 | -136.2 | 0 | 0 | 122.2 | P42 N43 P44 L1282 | P42-E1348 HydrophobicContact CB-CB 4.24Å; P42-E1348 WeakPolarHBondContact CB-OE2 3.06Å; P42-E1348 VanDerWaalsContact CG-OE2 3.23Å; P42-E1348 WeakPolarHBondContact CG-OE2 3.35Å; N43-E1348 CarbonylContact C-O 3.49Å; N43-E1348 VanDerWaalsContact CA-O 3.25Å; N43-E1348 WeakPolarHBondContact CA-O 3.4Å; P44-E1348 VanDerWaalsContact CA-O 3.22Å; P44-E1348 WeakPolarHBondContact CA-O 3.42Å; P44-E1348 WeakPolarHBondContact CD-O 3.42Å; P44-E1348 WeakPolarHBondContact CG-O 3.43Å; L1282-E1348 WeakPolarHBondContact CD2-OE2 3.23Å | ||
| 1349 | L | 26 | Very low | 28.5 | Very low | 53 Ų | 53 | 100.5 Ų | 100.5 | 28% | 0.277 | 56% | 0.559 | S | S | . | * | trans | 87.8 | 53.7 | 178.1 | -49.4 | -175.7 | 0 | 0 | 0 | 118.2 | P42 P44 T1281 | P42-L1349 WeakPolarHBondContact O-CD1 3.07Å; P42-L1349 VanDerWaalsContact O-CG 3.26Å; P42-L1349 WeakPolarHBondContact O-CG 3.21Å; P44-L1349 WeakPolarHBondContact CG-O 3.28Å; T1281-L1349 HydrophobicContact CG2-CD1 3.84Å; T1281-L1349 HydrophobicContact CG2-CD2 3.96Å | ||
| 1350 | Q | 24.3 | Very low | 28.1 | Very low | 132 Ų | 132 | 102.1 Ų | 102.1 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | trans | -122.7 | 134.8 | 145.6 | -68.6 | -177.1 | -78.4 | 0 | 0 | 108.6 | P44 M1352 | P44-Q1350 HydrophobicContact CG-CG 4.23Å; Q1350-M1352 HydrophobicContact CB-CG 4.14Å; Q1350-M1352 PolarHBondContact O-N 2.04Å | ||
| 1351 | P | 23.5 | Very low | 27.6 | Very low | 66 Ų | 66 | 102.6 Ų | 102.6 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | trans | -75.8 | 77 | 169 | 31.7 | -33.8 | 0 | 0 | 0 | 110.1 | D1278 L1353 | D1278-P1351 HydrophobicContact CB-CB 4.41Å; P1351-L1353 PolarHBondContact O-N 3.16Å | ||
| 1352 | M | 25.1 | Very low | 27.2 | Very low | 148 Ų | 148 | 98 Ų | 98 | 73% | 0.729 | 55% | 0.553 | S | S | * | * | trans | -76.5 | 72.7 | 176.4 | -78.8 | -153.3 | 69.4 | 0 | 0 | 112.2 | Q1350 S1354 | Q1350-M1352 HydrophobicContact CB-CG 4.14Å; Q1350-M1352 PolarHBondContact O-N 2.04Å; M1352-S1354 VanDerWaalsContact C-N 3.3Å; M1352-S1354 PolarHBondContact O-N 2.83Å | ||
| 1353 | L | 26.9 | Very low | 27.8 | Very low | 145 Ų | 145 | 95.1 Ų | 95.1 | 76% | 0.759 | 55% | 0.551 | S | S | * | * | trans | -67.8 | 83.1 | 166.4 | -87.4 | 168 | 0 | 0 | 0 | 111.3 | P1351 | P1351-L1353 PolarHBondContact O-N 3.16Š| ||
| 1354 | S | 24.1 | Very low | 28 | Very low | 90 Ų | 90 | 98.9 Ų | 98.9 | 63% | 0.629 | 57% | 0.574 | S | S | * | * | trans | -160.6 | 85.1 | 164.1 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | M1352 | M1352-S1354 VanDerWaalsContact C-N 3.3Å; M1352-S1354 PolarHBondContact O-N 2.83Å | ||
| 1355 | V | 24.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 102.9 Ų | 102.9 | 73% | 0.733 | 60% | 0.599 | S | S | * | * | 77.6 | 125.6 | 91.3 | 166.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1356 | R | 25.4 | Very low | 28.3 | Very low | 240 Ų | 240 | 107.6 Ų | 107.6 | 91% | 0.906 | 62% | 0.621 | S | S | * | * | trans | 72.4 | 129.9 | -171.9 | -61.1 | 166.7 | -179.3 | 158.9 | -0.5 | 113.3 | ||||
| 1357 | G | 25.5 | Very low | 28.3 | Very low | 62 Ų | 62 | 117.7 Ų | 117.7 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | cis | 87.9 | 105.2 | 3.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1358 | I | 29.6 | Very low | 28.5 | Very low | 144 Ų | 144 | 117.7 Ų | 117.7 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | trans | 44.9 | 133.2 | 134.1 | -57.4 | 174.5 | 0 | 0 | 0 | 117.8 | ||||
| 1359 | P | 33.9 | Very low | 28.6 | Very low | 98 Ų | 98 | 120 Ų | 120 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | cis | -132.7 | -164.4 | 8.5 | 30.3 | -5.4 | 0 | 0 | 0 | 114.9 | ||||
| 1360 | D | 25.8 | Very low | 28.8 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | trans | 66.1 | 144.3 | 158.4 | -52.5 | -35.1 | 0 | 0 | 0 | 119.4 | ||||
| 1361 | G | 30.4 | Very low | 29.2 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | cis | 109.6 | 118.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1362 | G | 30.1 | Very low | 30 | Very low | 62 Ų | 62 | 128.8 Ų | 128.8 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | cis | 172.8 | 173.9 | -8.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1363 | T | 39.2 | Very low | 30.3 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | trans | 70.1 | 155.3 | 156.4 | 66.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1364 | T | 29.2 | Very low | 30.9 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 59% | 0.589 | 72% | 0.718 | S | S | * | * | trans | 75.3 | 133.1 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1365 | P | 25.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | S | Bend | -79.8 | 152.7 | 76.6 | 26 | -37.1 | 0 | 0 | 0 | 112.9 | R1367 | P1365-R1367 CarbonylContact O-C 3.48Å; P1365-R1367 PolarHBondContact O-N 2.86Å | |
| 1366 | H | 36.3 | Very low | 31.8 | Very low | 157 Ų | 157 | 132 Ų | 132 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -16 | 97.7 | 143.5 | -151.8 | -90.9 | 0 | 0 | 0 | 111.3 | ||
| 1367 | R | 33.6 | Very low | 32 | Very low | 216 Ų | 216 | 127.8 Ų | 127.8 | 82% | 0.815 | 71% | 0.707 | S | S | * | * | S | Bend | cis | -97.8 | 135.7 | 31.6 | -65.8 | 145.6 | -172.4 | -155.3 | -1.9 | 114 | P1365 | P1365-R1367 CarbonylContact O-C 3.48Å; P1365-R1367 PolarHBondContact O-N 2.86Å |
| 1368 | N | 31.8 | Very low | 32.1 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 47% | 0.471 | 71% | 0.711 | S | S | . | * | cis | -168.3 | 152.7 | 5.3 | -104.6 | -7 | 0 | 0 | 0 | 112.1 | ||||
| 1369 | N | 30.7 | Very low | 32.1 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | trans | 53.7 | 121.9 | 140.1 | -53.8 | -10 | 0 | 0 | 0 | 123.8 | ||||
| 1370 | S | 28.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | trans | 61.3 | 148.1 | 135 | 67.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1371 | L | 33.2 | Very low | 32.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | cis | -120.2 | 163.6 | 5.2 | -82.5 | 83.9 | 0 | 0 | 0 | 108.8 | ||||
| 1372 | H | 40 | Very low | 32.2 | Very low | 183 Ų | 183 | 130.8 Ų | 130.8 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | cis | 62.6 | 48.8 | 17.8 | -151.6 | 56.3 | 0 | 0 | 0 | 118 | ||||
| 1373 | R | 32.2 | Very low | 32.2 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 76% | 0.758 | 70% | 0.703 | S | S | * | * | trans | -170.6 | 127.7 | 133.5 | -98.2 | -175.8 | 179.2 | -163.6 | -2.2 | 107 | ||||
| 1374 | H | 38.6 | Very low | 31.7 | Very low | 125 Ų | 125 | 134.3 Ų | 134.3 | 58% | 0.579 | 70% | 0.696 | S | S | * | * | S | Bend | cis | -148.5 | 157.7 | 11 | -109.9 | -76.2 | 0 | 0 | 0 | 111.3 | ||
| 1375 | H | 35.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | 63.7 | 106.7 | 154.4 | -72.8 | -57.5 | 0 | 0 | 0 | 119 | ||||
| 1376 | T | 31.4 | Very low | 31.9 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 63% | 0.632 | 70% | 0.696 | S | S | * | * | 66.6 | 135.6 | 81.2 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1377 | M | 29.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | cis | -163.4 | -178.4 | 8 | -119.9 | 168.9 | 176.4 | 0 | 0 | 111.1 | ||||
| 1378 | L | 28.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | trans | 17 | 136.3 | 141.6 | -52.3 | 165.5 | 0 | 0 | 0 | 118.1 | ||||
| 1379 | T | 28.5 | Very low | 30.7 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 66% | 0.656 | 71% | 0.709 | S | S | * | * | cis | -160.2 | 161.6 | 4.4 | 21.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1380 | E | 30.8 | Very low | 30.6 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | 46.2 | 155.4 | 68 | -111.1 | -159.4 | -138.6 | 0 | 0 | 114.3 | |||||
| 1381 | P | 34.5 | Very low | 30.6 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | cis | -123.2 | -163.4 | -15.4 | 36.9 | -19.6 | 0 | 0 | 0 | 111 | ||||
| 1382 | S | 28.3 | Very low | 30.3 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | 78.8 | 137.1 | 144.5 | 78.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1383 | M | 29.4 | Very low | 29.7 | Very low | 162 Ų | 162 | 137 Ų | 137 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | cis | -150.8 | 144.8 | -4.1 | -131.2 | 159.1 | -177.3 | 0 | 0 | 111.3 | ||||
| 1384 | T | 28.6 | Very low | 29.4 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | 42.4 | 115 | 143.4 | 50.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 1385 | R | 27.5 | Very low | 28.8 | Very low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | cis | 50.5 | 174.7 | 44.7 | -130.9 | -164.3 | -166.7 | -167.1 | 7.8 | 110.4 | ||||
| 1386 | P | 31.2 | Very low | 28.4 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 49% | 0.487 | 73% | 0.727 | S | S | . | * | cis | -104.6 | -160.7 | -46 | 6.6 | 17.8 | 0 | 0 | 0 | 109.8 | ||||
| 1387 | Y | 25.7 | Very low | 28.2 | Very low | 215 Ų | 215 | 135.8 Ų | 135.8 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | 78.1 | 148.3 | 158 | -58.4 | -65.8 | 0 | 0 | 0 | 117.6 | ||||
| 1388 | S | 24.5 | Very low | 28 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | 159.2 | 157.7 | -23.3 | 168 | 0 | 0 | 0 | 0 | 106 | ||||
| 1389 | S | 26.5 | Very low | 28 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 72.1 | 143.7 | 165.8 | -27.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1390 | G | 29 | Very low | 27.9 | Very low | 64 Ų | 64 | 136.6 Ų | 136.6 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | cis | -138.1 | 167.3 | -16.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1391 | K | 28.6 | Very low | 27.7 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 84% | 0.839 | 73% | 0.726 | S | S | * | * | cis | 53 | 90 | 32 | -162 | -177.8 | -175.4 | 177.4 | 0 | 112.3 | ||||
| 1392 | L | 27.2 | Very low | 27.4 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | trans | 159.5 | 152.5 | 145.4 | -104.8 | 81.7 | 0 | 0 | 0 | 107.7 | ||||
| 1393 | L | 27.5 | Very low | 27.4 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | cis | 179.1 | 170.6 | -38.1 | -119.8 | 169.1 | 0 | 0 | 0 | 107.8 | ||||
| 1394 | R | 25.4 | Very low | 27.3 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | trans | 78.9 | 139.9 | -179.7 | -51.4 | 164.7 | 176.5 | 166.4 | -2.5 | 112.2 | ||||
| 1395 | A | 26.4 | Very low | 27.3 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | cis | -42.6 | 127.4 | 7.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1396 | L | 28.1 | Very low | 27.4 | Very low | 144 Ų | 144 | 134 Ų | 134 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | 47.8 | 132.1 | 80.2 | -47.8 | 167.9 | 0 | 0 | 0 | 114.3 | |||||
| 1397 | S | 25.7 | Very low | 27.2 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | 57.2 | 124.7 | 58.2 | -88.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1398 | D | 27.1 | Very low | 27.2 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | cis | -151 | 164.6 | 5.5 | -108.3 | -65.1 | 0 | 0 | 0 | 112.2 | ||||
| 1399 | Q | 27.7 | Very low | 27.4 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 27 | 128.5 | 153.9 | -59.6 | 176.7 | 22 | 0 | 0 | 121.9 | ||||
| 1400 | P | 26.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | trans | -84 | 115.2 | 142.6 | 32.9 | -26.5 | 0 | 0 | 0 | 110.1 | ||||
| 1401 | S | 27.1 | Very low | 27.5 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | trans | -110.5 | 115.8 | 175.5 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1402 | E | 27.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | trans | 62.1 | 124 | 155.5 | -62.8 | -154.1 | 99.6 | 0 | 0 | 118 | ||||
| 1403 | R | 27.3 | Very low | 27.3 | Very low | 207 Ų | 207 | 133.7 Ų | 133.7 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | 76.6 | 133.4 | 88.6 | -139.3 | 176.9 | 180 | 165.7 | -1.9 | 110.5 | |||||
| 1404 | S | 28.4 | Very low | 27.2 | Very low | 86 Ų | 86 | 135.3 Ų | 135.3 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | cis | -157 | 162.6 | 29.2 | -33.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1405 | D | 28.7 | Very low | 27.3 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 70.1 | 117.7 | 133.7 | -60.7 | -11.2 | 0 | 0 | 0 | 124.6 | ||||
| 1406 | L | 29 | Very low | 27.2 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 78.4 | 108.5 | 129.2 | -86.1 | 77.8 | 0 | 0 | 0 | 123 | |||||
| 1407 | F | 27.3 | Very low | 27.2 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 80% | 0.803 | 72% | 0.721 | S | S | * | * | 61.9 | 118.4 | 124.4 | -82.6 | -52.5 | 0 | 0 | 0 | 123.4 | |||||
| 1408 | S | 26.7 | Very low | 27.2 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | 110.6 | 115.2 | 119.4 | -72.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1409 | V | 27.9 | Very low | 27.2 | Very low | 148 Ų | 148 | 131 Ų | 131 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | trans | 53.7 | 108.4 | 130.1 | -170.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1410 | G | 27.8 | Very low | 27.2 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -166.3 | 150.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1411 | Q | 28.8 | Very low | 27.3 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -113 | 170.4 | 179.1 | -66.8 | 179.6 | -69.5 | 0 | 0 | 111.2 | ||||
| 1412 | T | 25.5 | Very low | 27.8 | Very low | 151 Ų | 151 | 135 Ų | 135 | 93% | 0.926 | 73% | 0.731 | S | S | * | * | trans | 77.1 | 150.5 | 170.8 | 72.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1413 | G | 26.4 | Very low | 28.3 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | trans | 118.9 | 78.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1414 | E | 25.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | 47.4 | 126.2 | 114.8 | -68.8 | -176.3 | 149.3 | 0 | 0 | 123.1 | |||||
| 1415 | H | 26.9 | Very low | 28.5 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 56% | 0.556 | 75% | 0.749 | S | S | * | * | trans | 70.4 | 131.6 | 133.1 | -70.7 | -77.5 | 0 | 0 | 0 | 124.4 | E587 | E587-H1415 VanDerWaalsContact CD-CE1 3.41Å; E587-H1415 IonicContact OE1-CE1 2.76Å; E587-H1415 PolarHBondContact OE1-CE1 3.13Å; E587-H1415 IonicContact OE1-CG 2.64Å; E587-H1415 IonicContact OE1-ND1 2.63Å; E587-H1415 PolarHBondContact OE1-ND1 1.91Å; E587-H1415 IonicContact OE2-CE1 2.69Å; E587-H1415 PolarHBondContact OE2-CE1 2.62Å; E587-H1415 IonicContact OE2-ND1 2.77Å; E587-H1415 PolarHBondContact OE2-ND1 2.97Å | ||
| 1416 | T | 25.2 | Very low | 28.5 | Very low | 88 Ų | 88 | 137.7 Ų | 137.7 | 54% | 0.54 | 76% | 0.755 | S | S | . | * | trans | 74.2 | 117.2 | 141.1 | 51.9 | 0 | 0 | 0 | 0 | 124.5 | E587 | E587-T1416 HydrophobicContact CG-CG2 4.03Å; E587-T1416 WeakPolarHBondContact OE1-CG2 3.34Å | ||
| 1417 | E | 27.1 | Very low | 28.5 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 55% | 0.547 | 75% | 0.753 | S | S | . | * | 58.8 | 158.5 | 123.9 | -70.7 | -147.8 | 94.1 | 0 | 0 | 124.5 | A586 | A586-E1417 HydrophobicContact CB-CG 3.89Š| |||
| 1418 | T | 26.3 | Very low | 28.5 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | trans | 73.2 | 148.7 | 152.5 | 61.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1419 | Q | 28.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | cis | -168.9 | 158.5 | -24.5 | -113.9 | 175.5 | 36 | 0 | 0 | 110 | ||||
| 1420 | L | 27.7 | Very low | 28.6 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | 64.7 | 161.9 | 153 | -64.8 | 164.6 | 0 | 0 | 0 | 116.7 | ||||
| 1421 | L | 28.4 | Very low | 28.6 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | cis | -155.6 | 164.9 | 46.1 | -83.7 | 165 | 0 | 0 | 0 | 115.1 | ||||
| 1422 | L | 37.4 | Very low | 28.6 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -101.5 | -172.5 | 168.7 | -78.1 | 168.3 | 0 | 0 | 0 | 109.7 | ||||
| 1423 | P | 38.2 | Very low | 28.7 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | cis | -138.7 | -166.7 | 14.4 | 37.5 | -12.3 | 0 | 0 | 0 | 115.4 | ||||
| 1424 | I | 32.7 | Very low | 28.8 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | -171.4 | 153.8 | 88.9 | -86.6 | 173.4 | 0 | 0 | 0 | 111.4 | |||||
| 1425 | R | 27.1 | Very low | 28.8 | Very low | 242 Ų | 242 | 132.5 Ų | 132.5 | 91% | 0.913 | 73% | 0.734 | S | S | * | * | trans | -94.1 | 160.4 | 174.6 | -71 | 171.9 | 162.3 | 169.7 | -6.6 | 113.3 | ||||
| 1426 | S | 28.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 152.9 | 147.6 | 135.6 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1427 | N | 28.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -166.3 | 158.6 | -39.1 | -151.5 | 11.4 | 0 | 0 | 0 | 109.2 | ||||
| 1428 | N | 28 | Very low | 28.6 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | 46.3 | 126.3 | 161.4 | -61.2 | -15.6 | 0 | 0 | 0 | 121.6 | ||||
| 1429 | S | 28.7 | Very low | 28.6 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 167.1 | 111.6 | 105.3 | -72 | 0 | 0 | 0 | 0 | 116 | |||||
| 1430 | N | 27.8 | Very low | 28.5 | Very low | 148 Ų | 148 | 142 Ų | 142 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 47.7 | 118.8 | 134.4 | -66.6 | -2.4 | 0 | 0 | 0 | 124.5 | ||||
| 1431 | S | 27.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | 88 | 158.7 | 116.9 | 76.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1432 | G | 27.9 | Very low | 28.9 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | 85.6 | 78.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1433 | N | 27.9 | Very low | 28.9 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | cis | 75.7 | 117.9 | 29 | -149.4 | 30.6 | 0 | 0 | 0 | 115.1 | ||||
| 1434 | H | 28 | Very low | 28.8 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 63.7 | 157.6 | 169.3 | -66.9 | -55.3 | 0 | 0 | 0 | 117.9 | ||||
| 1435 | S | 26.8 | Very low | 28.9 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | cis | -155.8 | 155.9 | -7 | 33.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1436 | T | 26.8 | Very low | 29.1 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 71% | 0.712 | 75% | 0.751 | S | S | * | * | trans | -29.1 | 156.2 | 146.5 | 53.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1437 | W | 22.2 | Very low | 29.2 | Very low | 220 Ų | 220 | 128.1 Ų | 128.1 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | -161.1 | 159.3 | 115.2 | -107.3 | 96.9 | 0 | 0 | 0 | 111.6 | |||||
| 1438 | Q | 25.3 | Very low | 29.5 | Very low | 150 Ų | 150 | 127 Ų | 127 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -96.1 | 157.4 | -169.3 | -50.7 | 154.5 | -49.8 | 0 | 0 | 112.3 | ||||
| 1439 | S | 26.3 | Very low | 30.2 | Very low | 83 Ų | 83 | 125.9 Ų | 125.9 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | 155.8 | 134.7 | 111.5 | -81.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1440 | R | 25.9 | Very low | 30.7 | Very low | 209 Ų | 209 | 125 Ų | 125 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | trans | 67.3 | 152.4 | 135.7 | -63.5 | 169.9 | -178.3 | -123.6 | 10.2 | 118.4 | ||||
| 1441 | Q | 28.5 | Very low | 31.5 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | cis | -165.2 | 163.7 | -12.2 | -119.2 | 169.3 | -64.9 | 0 | 0 | 111.3 | ||||
| 1442 | H | 35.5 | Very low | 32.2 | Very low | 173 Ų | 173 | 124.9 Ų | 124.9 | 80% | 0.801 | 75% | 0.745 | S | S | * | * | trans | 66.9 | 134.3 | 157.7 | -62.9 | -58.7 | 0 | 0 | 0 | 121.1 | ||||
| 1443 | G | 38.1 | Very low | 32.8 | Very low | 78 Ų | 78 | 126.2 Ų | 126.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 170.7 | 95.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1444 | V | 36 | Very low | 33.2 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 93% | 0.933 | 75% | 0.747 | S | S | * | * | trans | -40.6 | 146.5 | 178.9 | -177.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1445 | G | 34.6 | Very low | 33.3 | Very low | 55 Ų | 55 | 125 Ų | 125 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | cis | 164.3 | 177.4 | -3.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1446 | T | 31.3 | Very low | 33.1 | Very low | 154 Ų | 154 | 127 Ų | 127 | 95% | 0.945 | 75% | 0.75 | S | S | * | * | trans | 61.5 | 132.5 | 172.8 | 56.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1447 | G | 30.6 | Very low | 32.9 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | cis | -172.8 | 168.3 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1448 | A | 36 | Very low | 33.3 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | trans | 66.3 | 149.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1449 | S | 42.5 | Very low | 34.4 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | cis | -179.7 | 160.7 | -13.2 | 47.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1450 | S | 39.6 | Very low | 34.9 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | cis | -179.9 | 153.1 | -24.4 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1451 | N | 43.3 | Very low | 34.9 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | trans | 69 | 164.6 | 158.4 | -60.3 | 1.6 | 0 | 0 | 0 | 117.5 | ||||
| 1452 | T | 42.7 | Very low | 34.7 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | cis | -158.5 | 167.2 | -7.4 | 5.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1453 | S | 40.9 | Very low | 34.2 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 61.2 | 118.3 | 145.5 | 64.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1454 | D | 35.4 | Very low | 33.4 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | 71.8 | 140.5 | 132.9 | -85.7 | -52.3 | 0 | 0 | 0 | 126.4 | ||||
| 1455 | T | 30 | Very low | 32.8 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | 62.4 | 140.9 | 158.4 | 48.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1456 | N | 23.7 | Very low | 32.1 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 7.1 | 134 | 142 | -82.5 | -10.8 | 0 | 0 | 0 | 120.1 | ||
| 1457 | F | 23 | Very low | 31.8 | Very low | 192 Ų | 192 | 130 Ų | 130 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 53.3 | 108.5 | 147.6 | -74.3 | -83.8 | 0 | 0 | 0 | 118.6 | ||
| 1458 | S | 31 | Very low | 31.5 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | cis | -171.3 | 56.9 | -18.9 | 35.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1459 | G | 47.7 | Very low | 30.9 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | -158.3 | -157.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1460 | L | 36.7 | Very low | 30.1 | Very low | 197 Ų | 197 | 136 Ų | 136 | 100% | 1.031 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 54.2 | 58 | -176 | -65.3 | 174.6 | 0 | 0 | 0 | 114.2 | ||
| 1461 | G | 26 | Very low | 29.6 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | trans | -167.8 | 165.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1462 | R | 24.4 | Very low | 28.8 | Very low | 227 Ų | 227 | 135.7 Ų | 135.7 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | cis | -145.9 | 141.6 | 16 | -93.6 | -171.4 | -171.3 | 177.2 | 6.3 | 108.6 | ||||
| 1463 | I | 24.7 | Very low | 28.2 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | 56.2 | 118.9 | 89.9 | -72.9 | 175.3 | 0 | 0 | 0 | 111.3 | |||||
| 1464 | W | 21.8 | Very low | 27.6 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 67% | 0.674 | 69% | 0.694 | S | S | * | * | cis | -144.1 | 138.8 | 12.7 | -113.9 | 20.3 | 0 | 0 | 0 | 110.5 | ||||
| 1465 | K | 22.2 | Very low | 27.5 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 54% | 0.539 | 68% | 0.675 | S | S | . | * | 59.4 | 137.2 | 90.3 | -72.8 | -166.8 | -163.9 | 165.3 | 0 | 115.6 | |||||
| 1466 | R | 21.6 | Very low | 27.5 | Very low | 198 Ų | 198 | 130.5 Ų | 130.5 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | trans | 73 | 140.8 | 139.8 | -77.4 | 177.7 | 177.9 | -179.8 | -4.8 | 116.2 | ||||
| 1467 | S | 23.9 | Very low | 27.9 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | cis | -162.1 | -173.7 | -5 | 37.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1468 | N | 23.8 | Very low | 28.3 | Very low | 122 Ų | 122 | 127 Ų | 127 | 65% | 0.652 | 67% | 0.665 | S | S | * | * | 16.3 | 135.9 | 95.4 | -21.6 | -15.4 | 0 | 0 | 0 | 112.2 | H1470 | N1468-H1470 HydrophobicContact CB-CB 4.24Š| |||
| 1469 | F | 24.8 | Very low | 28.3 | Very low | 168 Ų | 168 | 126 Ų | 126 | 74% | 0.737 | 66% | 0.658 | S | S | * | * | cis | -117.1 | 133.9 | 36.1 | -85 | -120.1 | 0 | 0 | 0 | 108.9 | D1471 | F1469-D1471 HydrophobicContact CD1-CB 4.25Å; F1469-D1471 WeakPolarHBondContact CD1-OD2 3.45Å | ||
| 1470 | H | 25.1 | Very low | 27.5 | Very low | 122 Ų | 122 | 130 Ų | 130 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | cis | 39 | 69.3 | 30.4 | -174.7 | -52.4 | 0 | 0 | 0 | 110.6 | N1468 | N1468-H1470 HydrophobicContact CB-CB 4.24Š| ||
| 1471 | D | 28.9 | Very low | 27.3 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 46% | 0.46 | 65% | 0.648 | S | S | . | * | -150.9 | 146.1 | 122.3 | -88.7 | -25.4 | 0 | 0 | 0 | 105 | F1469 | F1469-D1471 HydrophobicContact CD1-CB 4.25Å; F1469-D1471 WeakPolarHBondContact CD1-OD2 3.45Å | |||
| 1472 | K | 26.1 | Very low | 28 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | 52.7 | 140.3 | 63.2 | -48.5 | -179.5 | -167.8 | 174.2 | 0 | 108.9 | |||||
| 1473 | V | 30.4 | Very low | 28.3 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | -143.3 | 124 | 54.6 | 140 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 1474 | N | 29.5 | Very low | 28.6 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | 58.7 | 127.1 | 87.7 | -100.3 | 82.4 | 0 | 0 | 0 | 110.8 | |||||
| 1475 | T | 31.8 | Very low | 28.8 | Very low | 63 Ų | 63 | 133.8 Ų | 133.8 | 39% | 0.387 | 66% | 0.659 | S | S | . | * | cis | -174.1 | -168.9 | -7.9 | 19.9 | 0 | 0 | 0 | 0 | 104.5 | D1260 | D1260-T1475 WeakPolarHBondContact OD2-CG2 3.1Š| ||
| 1476 | D | 31.6 | Very low | 29 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 65% | 0.652 | 67% | 0.669 | S | S | * | * | trans | 69.7 | 129.9 | 141.5 | -61.2 | -47.5 | 0 | 0 | 0 | 116.4 | ||||
| 1477 | N | 31.3 | Very low | 29 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | -155.6 | 135.1 | 56.2 | -91.4 | -90.7 | 0 | 0 | 0 | 113.9 | |||||
| 1478 | T | 31.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | trans | 70.9 | 146.3 | 139.2 | 62.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1479 | S | 30.6 | Very low | 29.5 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | cis | -173.7 | 179.2 | -16.1 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1480 | L | 30.8 | Very low | 29.8 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | trans | 84.1 | 142.7 | 168.7 | -51.7 | 174.7 | 0 | 0 | 0 | 116 | ||||
| 1481 | L | 32.7 | Very low | 30 | Very low | 143 Ų | 143 | 131 Ų | 131 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | cis | -160.9 | 159.2 | 9.7 | -129.5 | 166.6 | 0 | 0 | 0 | 113.2 | ||||
| 1482 | K | 39.9 | Very low | 30.2 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | trans | 89.7 | 113.4 | 159.9 | -64.8 | -176 | 178.2 | 173.8 | 0 | 122.1 | ||||
| 1483 | Q | 30.4 | Very low | 30.5 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 71% | 0.709 | S | S | * | * | trans | 68.4 | 145.8 | 149.6 | -59 | -171.2 | 22 | 0 | 0 | 118.4 | ||||
| 1484 | R | 32.6 | Very low | 30.6 | Very low | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 71% | 0.705 | S | S | * | * | cis | -148.9 | 153.2 | 4.4 | -134.5 | 174.3 | -171 | -169.7 | 2.9 | 111.4 | ||||
| 1485 | K | 25.7 | Very low | 30.6 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | trans | -52.4 | 127.8 | -173 | -57.4 | 170.8 | 179.2 | 177.7 | 0 | 116.6 | ||||
| 1486 | A | 25.1 | Very low | 30.6 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | -172.4 | 144.9 | 120.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 1487 | P | 22.3 | Very low | 30.5 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -80.2 | 154.8 | 5.1 | 32.7 | -36.5 | 0 | 0 | 0 | 115.4 | ||
| 1488 | L | 31.3 | Very low | 30.5 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 31.4 | 118.1 | 143.3 | -55.9 | 170.1 | 0 | 0 | 0 | 120.4 | ||
| 1489 | A | 27.8 | Very low | 30.4 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | trans | 68.2 | 131.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1490 | S | 29.4 | Very low | 30.6 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | 69.2 | 131.3 | 93.7 | 85.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1491 | R | 30.9 | Very low | 30.3 | Very low | 197 Ų | 197 | 144.1 Ų | 144.1 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | cis | -160.1 | 156.4 | 8 | -136.4 | 170.5 | 69.8 | 156.3 | 10.5 | 113.1 | ||||
| 1492 | E | 32.8 | Very low | 30 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 62% | 0.621 | 72% | 0.722 | S | S | * | * | trans | 69.9 | 162.2 | 162.2 | -75.2 | 146.3 | -51.9 | 0 | 0 | 120 | ||||
| 1493 | D | 33.1 | Very low | 29.4 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | -170.6 | 164.5 | -80.2 | -106.4 | 112 | 0 | 0 | 0 | 112.5 | |||||
| 1494 | S | 31.4 | Very low | 29.2 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 54% | 0.538 | 72% | 0.715 | S | S | . | * | trans | 72.9 | 143.6 | 158.8 | -145 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1495 | W | 30 | Very low | 29.2 | Very low | 230 Ų | 230 | 136.8 Ų | 136.8 | 87% | 0.871 | 71% | 0.713 | S | S | * | * | cis | -137.5 | 165.4 | 26.2 | -78.7 | 73.1 | 0 | 0 | 0 | 115.3 | ||||
| 1496 | L | 30.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 132 Ų | 132 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | trans | -36.7 | 155.2 | 174.5 | -69.4 | 65.7 | 0 | 0 | 0 | 117.1 | ||||
| 1497 | N | 30.5 | Very low | 29.7 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | 64.5 | 139.1 | 50.3 | -76 | 67 | 0 | 0 | 0 | 112.7 | |||||
| 1498 | D | 31.7 | Very low | 30.1 | Very low | 115 Ų | 115 | 135 Ų | 135 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | cis | -150.8 | 165 | -0.4 | -98.3 | -36 | 0 | 0 | 0 | 108.8 | ||||
| 1499 | I | 28.8 | Very low | 30.2 | Very low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | 71.1 | 140.5 | 53 | -107.5 | 174.6 | 0 | 0 | 0 | 114 | |||||
| 1500 | P | 34.8 | Very low | 30.5 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 62% | 0.623 | 70% | 0.702 | S | S | * | * | cis | -136.1 | -161.4 | -7.8 | 41.2 | -21.4 | 0 | 0 | 0 | 114.7 | ||||
| 1501 | R | 24.5 | Very low | 30.7 | Very low | 207 Ų | 207 | 138.9 Ų | 138.9 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | trans | 72.1 | 134.8 | 145.8 | -80.7 | 176.8 | -178.7 | -155.8 | 8.7 | 123.3 | ||||
| 1502 | Q | 26.4 | Very low | 31 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | trans | 76.6 | 122 | 132.8 | -73.6 | -177.2 | -100.4 | 0 | 0 | 123 | ||||
| 1503 | S | 26.8 | Very low | 31.2 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | 75.8 | 118 | 126 | 67.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1504 | D | 27.1 | Very low | 31.2 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | 83 | 144.3 | 134 | -55.6 | -19.3 | 0 | 0 | 0 | 121.2 | ||||
| 1505 | H | 32.8 | Very low | 31.3 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | trans | 70.4 | 140.6 | 169 | -51 | -56.7 | 0 | 0 | 0 | 117.2 | ||||
| 1506 | S | 29.6 | Very low | 31.5 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | cis | -169.9 | 176.2 | -13.9 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1507 | E | 31.5 | Very low | 32 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | 71.5 | 114.6 | 163.5 | -60.6 | -174.9 | 169.2 | 0 | 0 | 116.3 | ||||
| 1508 | S | 30.5 | Very low | 32.2 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | 69.6 | 133.1 | 79.2 | 98.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1509 | R | 34.1 | Very low | 32.3 | Very low | 230 Ų | 230 | 129.1 Ų | 129.1 | 87% | 0.868 | 73% | 0.727 | S | S | * | * | cis | -145.3 | -176.9 | 23.2 | -56.7 | 173.4 | 167.2 | 151.2 | -6.8 | 108.7 | ||||
| 1510 | S | 34.6 | Very low | 32.7 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | cis | -167.7 | 121.4 | 1.7 | 15.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1511 | S | 33.6 | Very low | 32.6 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 90.5 | 153 | 68.1 | 73.1 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1512 | V | 36.7 | Very low | 33 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | trans | 78.1 | 137.1 | -178.1 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1513 | A | 36.4 | Very low | 33.4 | Very low | 77 Ų | 77 | 121.8 Ų | 121.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | cis | -174.6 | 170.5 | -18.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1514 | L | 34.1 | Very low | 33.7 | Very low | 152 Ų | 152 | 122.2 Ų | 122.2 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | cis | -154.8 | 127.7 | -29.5 | -120.7 | 77.1 | 0 | 0 | 0 | 102.6 | ||||
| 1515 | S | 33 | Very low | 34 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 59% | 0.594 | 75% | 0.746 | S | S | * | * | 75.8 | 146.2 | 79.7 | 89.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1516 | D | 33.9 | Very low | 34 | Very low | 144 Ų | 144 | 121.3 Ų | 121.3 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 89.3 | 151.6 | 150.6 | -61.5 | -44.6 | 0 | 0 | 0 | 123 | ||||
| 1517 | P | 41.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | trans | -134.2 | -167.5 | -143.5 | 45.2 | -28.8 | 0 | 0 | 0 | 115.2 | ||||
| 1518 | A | 35.5 | Very low | 34.1 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 70% | 0.702 | 75% | 0.747 | S | S | * | * | trans | 172.4 | 153.5 | 130.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1519 | T | 33.7 | Very low | 34.1 | Very low | 136 Ų | 136 | 130.3 Ų | 130.3 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 22.7 | 151.9 | 143.4 | 56.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1520 | A | 35.4 | Very low | 33.9 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -175.1 | 176.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1521 | S | 33.6 | Very low | 33.8 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | 77.9 | 117.6 | 141.3 | 60.8 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1522 | T | 33.7 | Very low | 33.6 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | 84.3 | 118.6 | 126.7 | 51.7 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 1523 | T | 33.3 | Very low | 33.3 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | 60.4 | 135.4 | 138.8 | 57.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1524 | A | 34.5 | Very low | 33.3 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | cis | -159.1 | -149.2 | -3.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1525 | K | 32.4 | Very low | 33.2 | Very low | 180 Ų | 180 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | cis | -169.1 | 168.9 | 7.7 | -154 | -164.1 | 174.1 | -172.3 | 0 | 111 | ||||
| 1526 | T | 33.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | 61.3 | 125.8 | 157 | 36.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 1527 | S | 32.8 | Very low | 33 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 54.5 | 138.3 | 151.3 | 49 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1528 | E | 30.5 | Very low | 32.4 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | cis | -150.3 | -172 | 1 | -114.5 | 169.2 | 171.4 | 0 | 0 | 109.5 | ||||
| 1529 | W | 29.8 | Very low | 32.1 | Very low | 257 Ų | 257 | 139.3 Ų | 139.3 | 97% | 0.973 | 78% | 0.779 | S | S | * | * | trans | -112.3 | 174.9 | -171.4 | -46.8 | -30.1 | 0 | 0 | 0 | 112.9 | ||||
| 1530 | S | 30.4 | Very low | 32 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | cis | -157.8 | 174.9 | 10.9 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1531 | G | 31 | Very low | 31.8 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 173.4 | 161.6 | -5.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1532 | I | 31.3 | Very low | 31.7 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | 75.7 | 105 | 158.6 | -48.7 | -178.7 | 0 | 0 | 0 | 119.8 | ||||
| 1533 | S | 29 | Very low | 31.3 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -137.4 | 141.7 | 150.1 | 169.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1534 | P | 37 | Very low | 31 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -149.1 | 161.2 | 153.1 | 38.3 | -22.7 | 0 | 0 | 0 | 114.9 | ||||
| 1535 | Y | 31.5 | Very low | 30.7 | Very low | 226 Ų | 226 | 148.8 Ų | 148.8 | 89% | 0.886 | 80% | 0.796 | S | S | * | * | cis | -161.9 | 177.5 | -31.6 | -159.4 | -105.2 | 0 | 0 | 0 | 109.5 | ||||
| 1536 | N | 31.2 | Very low | 30.4 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | -98.9 | 159 | -174.2 | -109.1 | -42.6 | 0 | 0 | 0 | 115.9 | ||||
| 1537 | Q | 31.7 | Very low | 30.4 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 34.4 | 113.1 | 153.4 | -63.7 | -172.7 | -1.1 | 0 | 0 | 123.4 | ||||
| 1538 | S | 29.6 | Very low | 30.3 | Very low | 99 Ų | 99 | 149.4 Ų | 149.4 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 38 | 131.3 | 134.4 | 70.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1539 | R | 28.9 | Very low | 30.2 | Very low | 220 Ų | 220 | 148.1 Ų | 148.1 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | -174 | 152 | 75.4 | -89.6 | -176.3 | 177.8 | -177.8 | -1 | 114.5 | |||||
| 1540 | N | 31.2 | Very low | 30.2 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 72.7 | 163 | 149.3 | -68.4 | 5.5 | 0 | 0 | 0 | 121.8 | ||||
| 1541 | H | 30.1 | Very low | 30.4 | Very low | 182 Ų | 182 | 146.3 Ų | 146.3 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -85.7 | 172.6 | -168.2 | -76.8 | -103.2 | 0 | 0 | 0 | 115.2 | ||||
| 1542 | S | 31.5 | Very low | 30.4 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 78.3 | 155.6 | 161.1 | 82.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1543 | N | 26.7 | Very low | 30.5 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | cis | -170.6 | 148.1 | -40.1 | -142.5 | -2 | 0 | 0 | 0 | 106.6 | ||||
| 1544 | F | 26.1 | Very low | 30.7 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | 63.2 | 142.8 | 169.9 | -82.9 | -106.2 | 0 | 0 | 0 | 120.2 | ||||
| 1545 | G | 28.6 | Very low | 30.4 | Very low | 80 Ų | 80 | 151 Ų | 151 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | 86.2 | 138.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1546 | G | 25.6 | Very low | 30.3 | Very low | 74 Ų | 74 | 148.4 Ų | 148.4 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | cis | 105.5 | 78.4 | -14 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1547 | K | 33.9 | Very low | 30.2 | Very low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -174.7 | 148.7 | 149.2 | -106.6 | 160.2 | -173.6 | 178.9 | 0 | 113.2 | ||||
| 1548 | N | 31.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 61.6 | 127.7 | 166.9 | -53.5 | 5.7 | 0 | 0 | 0 | 116.3 | ||||
| 1549 | L | 27.6 | Very low | 30.4 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | cis | 70.5 | 100.8 | 42.3 | -78 | 77.5 | 0 | 0 | 0 | 114.9 | ||||
| 1550 | E | 31.3 | Very low | 30.5 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | -177.6 | 102.6 | 119.8 | -95.5 | 162.9 | -158 | 0 | 0 | 106.4 | |||||
| 1551 | E | 32.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 76.1 | 126.2 | 100.4 | -73.9 | -169.5 | -176.6 | 0 | 0 | 114 | |||||
| 1552 | M | 32.1 | Very low | 30.5 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | cis | -129.8 | 126.7 | 16.6 | -63.9 | -175.4 | -178.8 | 0 | 0 | 114 | ||||
| 1553 | N | 33.4 | Very low | 30.5 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | 51.7 | 138.4 | 123.2 | -62.1 | -49.2 | 0 | 0 | 0 | 121.2 | |||||
| 1554 | T | 33.2 | Very low | 30.8 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | cis | -142.8 | 138.3 | 12.2 | 32.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1555 | K | 29.7 | Very low | 31.1 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | 53.5 | 139.3 | 93.9 | -73.8 | 173.4 | 170.9 | 174.2 | 0 | 115.7 | |||||
| 1556 | F | 30.3 | Very low | 31.4 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 75% | 0.746 | 76% | 0.757 | S | S | * | * | cis | -161.3 | 149.6 | 10.4 | -121.6 | -40.5 | 0 | 0 | 0 | 113.8 | ||||
| 1557 | S | 29.9 | Very low | 31.7 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | trans | 62.7 | 144.8 | 145.7 | -61.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1558 | P | 35.8 | Very low | 31.6 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -104.6 | -177.4 | 173.2 | 42.1 | -36.3 | 0 | 0 | 0 | 114.6 | ||||
| 1559 | H | 29.5 | Very low | 31.6 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | trans | 61.4 | 99.7 | 169.9 | -70.6 | -74.5 | 0 | 0 | 0 | 118.4 | ||||
| 1560 | T | 29.3 | Very low | 31.9 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | -175.6 | 174.2 | 119.7 | 20.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1561 | H | 30.6 | Very low | 32.1 | Very low | 199 Ų | 199 | 134.2 Ų | 134.2 | 92% | 0.921 | 74% | 0.743 | S | S | * | * | trans | -66.3 | 142.9 | 177.1 | -66.7 | -104.3 | 0 | 0 | 0 | 112.4 | ||||
| 1562 | G | 31.8 | Very low | 32 | Very low | 74 Ų | 74 | 131.4 Ų | 131.4 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | trans | -176.8 | 146.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1563 | N | 32 | Very low | 32.1 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -108.2 | 165.8 | -173.1 | -87.4 | -11.8 | 0 | 0 | 0 | 113.6 | ||||
| 1564 | S | 31.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | trans | 69.9 | 114.6 | 141.7 | 57.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1565 | S | 33.1 | Very low | 32.2 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 92.2 | 134.4 | 117.8 | 74.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1566 | N | 34.2 | Very low | 32.4 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 54% | 0.54 | 73% | 0.732 | S | S | . | * | trans | 70.1 | 150 | 145.8 | -60.4 | -14.1 | 0 | 0 | 0 | 120.3 | N1691 | N1566-N1691 PolarHBondContact OD1-ND2 3.31Š| ||
| 1567 | S | 32.5 | Very low | 32.6 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | cis | -175.9 | 159.5 | -24.5 | 59.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1568 | F | 31.7 | Very low | 32.8 | Very low | 205 Ų | 205 | 130.4 Ų | 130.4 | 90% | 0.899 | 73% | 0.734 | S | S | * | * | trans | 65.4 | 148.7 | 164.1 | -80.1 | -82.6 | 0 | 0 | 0 | 119 | ||||
| 1569 | G | 31.5 | Very low | 32.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | -164.4 | -38.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1570 | K | 34.1 | Very low | 33.1 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | 73 | 145.6 | 169.1 | -85.2 | -173.1 | 177.3 | -175.3 | 0 | 121.4 | ||||
| 1571 | N | 34.8 | Very low | 33.2 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | 76.3 | 146 | 149.1 | -67.3 | 18.5 | 0 | 0 | 0 | 121.6 | ||||
| 1572 | T | 31 | Very low | 33.3 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 64% | 0.638 | 72% | 0.723 | S | S | * | * | cis | 174.4 | 120.3 | -49.4 | 33.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1573 | V | 34.6 | Very low | 33.6 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | trans | -157.5 | 105.7 | 153.8 | -178.8 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1574 | S | 32.2 | Very low | 33.6 | Very low | 76 Ų | 76 | 124 Ų | 124 | 53% | 0.531 | 72% | 0.715 | S | S | . | * | cis | 74.5 | 131.7 | 24.4 | -75 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1575 | D | 34.9 | Very low | 33.6 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | cis | -145.1 | 177.1 | -13.5 | -74.3 | -45.3 | 0 | 0 | 0 | 106.6 | ||||
| 1576 | Y | 35.5 | Very low | 33.5 | Very low | 200 Ų | 200 | 127.3 Ų | 127.3 | 78% | 0.784 | 73% | 0.729 | S | S | * | * | cis | -145.4 | 168.6 | 21.4 | -59.9 | -96.5 | 0 | 0 | 0 | 109 | ||||
| 1577 | L | 34.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 128.2 Ų | 128.2 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | cis | 79.8 | 144.9 | 20 | -51.8 | 174.6 | 0 | 0 | 0 | 113.8 | ||||
| 1578 | L | 34 | Very low | 33.2 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | cis | -139.4 | 154.1 | 3.3 | -73.1 | 86.8 | 0 | 0 | 0 | 112.3 | ||||
| 1579 | D | 28.9 | Very low | 33.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 142.2 | 151.8 | -73.5 | -62 | 0 | 0 | 0 | 111.6 | ||
| 1580 | P | 41.2 | Very low | 33.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 155.3 | 169.3 | 34.4 | -33.3 | 0 | 0 | 0 | 113.1 | ||
| 1581 | P | 32.3 | Very low | 33 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 161.2 | -179.7 | 30.3 | -36.3 | 0 | 0 | 0 | 113.4 | ||
| 1582 | P | 32.5 | Very low | 32.9 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 133.6 | -175.9 | 25.8 | -35.3 | 0 | 0 | 0 | 112.7 | ||
| 1583 | P | 38.3 | Very low | 32.9 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 148.8 | 174.7 | 28.9 | -34.3 | 0 | 0 | 0 | 111.6 | ||
| 1584 | P | 32.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 157.6 | 178.2 | 28.5 | -35.2 | 0 | 0 | 0 | 112.3 | V1586 | P1584-V1586 PolarHBondContact O-N 3.48Š|
| 1585 | P | 30.5 | Very low | 32.8 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -69.9 | 105.5 | -171.9 | 27.8 | -35.4 | 0 | 0 | 0 | 112.7 | ||||
| 1586 | V | 32 | Very low | 32.4 | Very low | 131 Ų | 131 | 148 Ų | 148 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 134.6 | 171.7 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | P1584 | P1584-V1586 PolarHBondContact O-N 3.48Š|
| 1587 | P | 31.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 149.8 | -176.5 | -24.1 | 35.1 | 0 | 0 | 0 | 114.6 | ||
| 1588 | R | 28 | Very low | 31.9 | Very low | 258 Ų | 258 | 147.3 Ų | 147.3 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 138.7 | 172.9 | -53.5 | 177.4 | -170 | 176.8 | 2.1 | 110.8 | ||
| 1589 | G | 30.4 | Very low | 31.9 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | 163.1 | 98.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1590 | L | 31.5 | Very low | 32 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 93% | 0.927 | 81% | 0.812 | S | S | * | * | trans | -176.9 | 131.5 | 139.4 | -99.6 | 159.1 | 0 | 0 | 0 | 108.2 | ||||
| 1591 | P | 32.3 | Very low | 31.8 | Very low | 109 Ų | 109 | 150 Ų | 150 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | trans | -111 | 128.2 | -179.7 | 36.1 | -26.3 | 0 | 0 | 0 | 113.2 | E1593 | P1591-E1593 PolarHBondContact O-N 2.68Š| ||
| 1592 | D | 32.9 | Very low | 32.1 | Very low | 179 Ų | 179 | 149.7 Ų | 149.7 | 96% | 0.957 | 81% | 0.814 | S | S | * | * | trans | -84.7 | 104.3 | 164.9 | -79.6 | -54.8 | 0 | 0 | 0 | 110.4 | ||||
| 1593 | E | 29.8 | Very low | 32.1 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -120.9 | 81.6 | 176.9 | -171.6 | -179.6 | -171.6 | 0 | 0 | 110.4 | P1591 | P1591-E1593 PolarHBondContact O-N 2.68Š| ||
| 1594 | Y | 32.5 | Very low | 31.9 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -136.2 | 147.8 | 170.1 | -95.1 | -87 | 0 | 0 | 0 | 112.3 | ||||
| 1595 | L | 31.8 | Very low | 31.9 | Very low | 161 Ų | 161 | 151.8 Ų | 151.8 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 65.5 | 74.1 | 166.9 | -64.7 | 160.5 | 0 | 0 | 0 | 118 | ||||
| 1596 | Q | 28.5 | Very low | 31.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | -129.9 | 133.4 | 124 | -79.2 | -159.4 | -10.6 | 0 | 0 | 110.9 | |||||
| 1597 | P | 32.9 | Very low | 32 | Very low | 127 Ų | 127 | 152 Ų | 152 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -78.6 | 147.7 | -177.4 | 31.7 | -34.9 | 0 | 0 | 0 | 112.7 | ||||
| 1598 | K | 26.4 | Very low | 32 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -95.8 | 121.4 | -179.5 | -67.4 | 169.7 | -179 | 163.8 | 0 | 112.1 | ||||
| 1599 | T | 32.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 148.1 Ų | 148.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -116 | 162.5 | 154.6 | 50.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1600 | K | 31.4 | Very low | 32.2 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -139 | 140.4 | -155.5 | -60.7 | 175.6 | 178.1 | 172.5 | 0 | 114.7 | ||||
| 1601 | N | 36.4 | Very low | 32.1 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 61.1 | -171.1 | 138.8 | -69.8 | 18.4 | 0 | 0 | 0 | 114.6 | ||||
| 1602 | P | 38.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | cis | -127.2 | 176.8 | -0.7 | 33.7 | -10.1 | 0 | 0 | 0 | 114.5 | ||||
| 1603 | T | 32.8 | Very low | 32 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | -176.2 | 162.3 | 83.5 | 33.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1604 | N | 33.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 68.2 | 128.7 | 171.7 | -56.4 | -21.6 | 0 | 0 | 0 | 116.1 | ||||
| 1605 | T | 32.6 | Very low | 31.7 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | cis | -164.2 | 167.8 | -1.5 | 12 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1606 | S | 31.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | cis | -170.6 | 161.2 | -3.4 | 40.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1607 | H | 33.5 | Very low | 31.3 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | trans | 70.2 | 142.8 | 169.5 | -56.1 | -70.8 | 0 | 0 | 0 | 118 | ||||
| 1608 | A | 31.4 | Very low | 31 | Very low | 66 Ų | 66 | 136.1 Ų | 136.1 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | cis | -165.6 | 162.8 | -18.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1609 | Y | 30.6 | Very low | 30.9 | Very low | 229 Ų | 229 | 138.5 Ų | 138.5 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | 67.6 | 146 | 172.2 | -56.7 | -80.4 | 0 | 0 | 0 | 117.1 | ||||
| 1610 | S | 31.9 | Very low | 30.7 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -167.7 | 150.9 | -18 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1611 | S | 29.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | trans | 51.8 | 138.1 | 150.9 | 50.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1612 | A | 32.1 | Very low | 30.2 | Very low | 84 Ų | 84 | 138.6 Ų | 138.6 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -168.2 | 171.7 | -5.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1613 | L | 31.4 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 68.2 | 121.9 | 168.2 | -58.5 | 159.3 | 0 | 0 | 0 | 115.3 | ||||
| 1614 | S | 26.4 | Very low | 30.2 | Very low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | cis | 69.8 | 128.9 | 26.9 | 96.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1615 | K | 28.1 | Very low | 30.4 | Very low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | cis | -151.3 | 163.3 | 37.6 | -74.2 | 178.9 | 175.6 | 169.1 | 0 | 115.6 | ||||
| 1616 | S | 25.3 | Very low | 30.2 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -32.8 | 148.1 | 155.2 | 55.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1617 | M | 27.7 | Very low | 30.2 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -163.6 | 118.1 | 134.7 | -99.8 | 149.8 | 178.3 | 0 | 0 | 107 | ||||
| 1618 | N | 27.2 | Very low | 30.2 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | 46.7 | 96.3 | 77.4 | -84.8 | 32.5 | 0 | 0 | 0 | 114.1 | T1620 | N1618-T1620 PolarHBondContact O-N 3.07Š| |||
| 1619 | Y | 24.7 | Very low | 30.3 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 95% | 0.949 | 79% | 0.786 | S | S | * | * | trans | -78.8 | 99.4 | 156.2 | -87 | -91.4 | 0 | 0 | 0 | 109.1 | ||||
| 1620 | T | 28.1 | Very low | 30.7 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -137.7 | 137.2 | 162.9 | 40.3 | 0 | 0 | 0 | 0 | 108.7 | N1618 | N1618-T1620 PolarHBondContact O-N 3.07Š| ||
| 1621 | E | 26.1 | Very low | 30.8 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -32.4 | 140 | 179.9 | -49.7 | 171.5 | 134.8 | 0 | 0 | 116.3 | ||||
| 1622 | L | 30.6 | Very low | 30.9 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | 174.9 | 157.8 | 112 | -90.1 | 160.3 | 0 | 0 | 0 | 112 | |||||
| 1623 | G | 27.3 | Very low | 30.8 | Very low | 62 Ų | 62 | 137.6 Ų | 137.6 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | -82.1 | 178.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1624 | P | 44.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -76.4 | 166.7 | 179.2 | 36.1 | -38.2 | 0 | 0 | 0 | 111.9 | ||||
| 1625 | P | 36.8 | Very low | 31.1 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -153.9 | 175.4 | 102.9 | 41.7 | -25 | 0 | 0 | 0 | 117 | |||||
| 1626 | M | 30.3 | Very low | 31.3 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | 74.4 | 115.2 | 162.8 | -54.1 | -152.5 | 169.1 | 0 | 0 | 117.7 | ||||
| 1627 | V | 30.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | cis | 92 | 103.9 | 42.4 | 173.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1628 | T | 33.9 | Very low | 32 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | -159.4 | 143.2 | 109.7 | 27.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1629 | N | 34.2 | Very low | 32.3 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -95.3 | -167.2 | 170.4 | -137.9 | 2.4 | 0 | 0 | 0 | 107.7 | ||||
| 1630 | P | 38 | Very low | 33 | Very low | 98 Ų | 98 | 133 Ų | 133 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | cis | -141.1 | -168.9 | 7.9 | 41.8 | -20.7 | 0 | 0 | 0 | 116.8 | ||||
| 1631 | S | 33.3 | Very low | 33.2 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | trans | 84.3 | 141.8 | 141.2 | 75.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1632 | T | 32.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | cis | -168.6 | 143.4 | -14.3 | 20.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1633 | T | 29.8 | Very low | 33.7 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 65.1 | 157 | 145 | 60.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1634 | R | 29.8 | Very low | 34.7 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | cis | -165.9 | 171.8 | 1.4 | -127.1 | 174.2 | 111.7 | 134 | 9.2 | 112.4 | ||||
| 1635 | D | 34.5 | Very low | 34.4 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 56% | 0.561 | 75% | 0.754 | S | S | * | * | trans | 62.5 | 152.8 | 149.1 | -57.2 | -22.9 | 0 | 0 | 0 | 119.6 | ||||
| 1636 | E | 31 | Very low | 34.3 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 59% | 0.589 | 76% | 0.759 | S | S | * | * | cis | -164.8 | -175.4 | -19.1 | -109.8 | 178.8 | 164 | 0 | 0 | 109.3 | ||||
| 1637 | Y | 34.7 | Very low | 34.5 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | 75.2 | 148.9 | 164.9 | -56.7 | -86.4 | 0 | 0 | 0 | 119.7 | ||||
| 1638 | L | 33.6 | Very low | 34.7 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | cis | -167.9 | 138.7 | -45.3 | -127.6 | 152.1 | 0 | 0 | 0 | 109.6 | ||||
| 1639 | S | 34 | Very low | 34.6 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | -91.9 | 166.8 | 172.9 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1640 | P | 39.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | -147.1 | 162.1 | 118.2 | 37.7 | -22.4 | 0 | 0 | 0 | 117.6 | |||||
| 1641 | N | 32.1 | Very low | 34.7 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | -61.2 | 164.3 | -176.7 | -47.1 | -38.5 | 0 | 0 | 0 | 117.7 | ||||
| 1642 | M | 32.8 | Very low | 34.8 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 96% | 0.956 | 76% | 0.758 | S | S | * | * | trans | -146.6 | 157.6 | 132 | -125.2 | 176.6 | 176.6 | 0 | 0 | 111.3 | ||||
| 1643 | Q | 33.1 | Very low | 34.5 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -142 | 173.8 | -168.7 | -104.5 | -161.7 | -82.5 | 0 | 0 | 112.6 | ||||
| 1644 | P | 48.9 | Very low | 34.5 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 66% | 0.656 | 77% | 0.771 | S | S | * | * | trans | -107.7 | -172 | -155.1 | 43.7 | -39.3 | 0 | 0 | 0 | 114.9 | ||||
| 1645 | P | 38.3 | Very low | 34.4 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -111.5 | 168.3 | 155.9 | 37.3 | -26.7 | 0 | 0 | 0 | 114 | ||||
| 1646 | E | 34.3 | Very low | 34.1 | Very low | 183 Ų | 183 | 143 Ų | 143 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -111.5 | 179.5 | -174.7 | -58.9 | 165.1 | 103 | 0 | 0 | 112.1 | ||||
| 1647 | E | 35.3 | Very low | 33.8 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | 167.9 | 155.4 | 112.8 | -90.3 | -167.2 | 140.7 | 0 | 0 | 117.4 | |||||
| 1648 | Y | 33.8 | Very low | 33.4 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 69% | 0.69 | 80% | 0.795 | S | S | * | * | trans | 60.6 | 99.1 | 160.7 | -65.3 | -61.8 | 0 | 0 | 0 | 124.7 | ||||
| 1649 | L | 32.6 | Very low | 33 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | 37.5 | 150.8 | 101.7 | -67.2 | 158.1 | 0 | 0 | 0 | 120.3 | |||||
| 1650 | S | 31.1 | Very low | 32.9 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -168.5 | 173.2 | -0.8 | 48.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1651 | P | 44 | Very low | 32.4 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -112.5 | 164.1 | -164.2 | 41.1 | -34.1 | 0 | 0 | 0 | 117.4 | ||||
| 1652 | I | 33.6 | Very low | 32.2 | Very low | 173 Ų | 173 | 138.4 Ų | 138.4 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | -139 | 151.2 | 163.5 | -65.8 | -174.6 | 0 | 0 | 0 | 110.6 | ||||
| 1653 | S | 28 | Very low | 31.9 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -95.4 | 158.8 | -176.5 | 53 | 0 | 0 | 0 | 0 | 115 | ||||
| 1654 | G | 30.4 | Very low | 31.8 | Very low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | 164.6 | 117.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1655 | G | 26.1 | Very low | 30.7 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -116.9 | 153.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1656 | F | 28.7 | Very low | 30.4 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -155.1 | 157.2 | 153.5 | -112.5 | -78.1 | 0 | 0 | 0 | 109.5 | ||||
| 1657 | S | 25.7 | Very low | 30.2 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -79 | 153.4 | 178.2 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1658 | V | 25.2 | Very low | 30.2 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 166.6 | 122.8 | 132.8 | 151.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1659 | T | 24.6 | Very low | 30 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 42.7 | 131.7 | 155.9 | 61.9 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1660 | N | 33.2 | Very low | 30.1 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 62.2 | 142.7 | 155 | -102.9 | 22.1 | 0 | 0 | 0 | 118.8 | ||||
| 1661 | P | 29.5 | Very low | 30.3 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | -138 | 165 | 100.3 | 39.4 | -28.8 | 0 | 0 | 0 | 115.6 | |||||
| 1662 | E | 27.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 62% | 0.621 | 79% | 0.791 | S | S | * | * | trans | -106.2 | 165.2 | 177.3 | -142.5 | -178.5 | 152.7 | 0 | 0 | 109.6 | ||||
| 1663 | Y | 26.9 | Very low | 29.8 | Very low | 184 Ų | 184 | 141.7 Ų | 141.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | 60.4 | 132.1 | 169 | -82.7 | -100.3 | 0 | 0 | 0 | 120.2 | M1665 | Y1663-M1665 HydrophobicContact CD1-CG 4.45Š| ||
| 1664 | L | 30 | Very low | 29.8 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -135.3 | 91.9 | 147.1 | -110.6 | 172.1 | 0 | 0 | 0 | 109.4 | E1666 | L1664-E1666 HydrophobicContact CD2-CG 4.32Š| ||
| 1665 | M | 26.9 | Very low | 29.9 | Very low | 150 Ų | 150 | 148 Ų | 148 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | -100.4 | 137.5 | 151.9 | -81.9 | -174.8 | 166 | 0 | 0 | 106.8 | Y1663 | Y1663-M1665 HydrophobicContact CD1-CG 4.45Š| ||
| 1666 | E | 32.2 | Very low | 30.4 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -110.8 | 125.9 | 158.3 | -75 | -158.7 | 137.6 | 0 | 0 | 110 | L1664 | L1664-E1666 HydrophobicContact CD2-CG 4.32Š| ||
| 1667 | T | 29.3 | Very low | 30.7 | Very low | 117 Ų | 117 | 147 Ų | 147 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -105.4 | 136.1 | -179.7 | 52.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1668 | Y | 36.2 | Very low | 30.9 | Very low | 237 Ų | 237 | 148.7 Ų | 148.7 | 93% | 0.929 | 77% | 0.769 | S | S | * | * | trans | -127.5 | 135.5 | 153.4 | -89.7 | -82.1 | 0 | 0 | 0 | 109.9 | ||||
| 1669 | G | 29.1 | Very low | 31.1 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | -166.2 | 159.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1670 | H | 34.7 | Very low | 31.2 | Very low | 191 Ų | 191 | 147.2 Ų | 147.2 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | trans | -155.6 | 124.7 | 166.4 | -115.8 | -74.5 | 0 | 0 | 0 | 109.8 | ||||
| 1671 | P | 35.3 | Very low | 31.1 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -106.9 | 141.7 | 179.8 | 36.5 | -30.4 | 0 | 0 | 0 | 112.9 | ||||
| 1672 | Q | 34.7 | Very low | 31 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -143.7 | 110.8 | 160.8 | -75.3 | -160.2 | -50.4 | 0 | 0 | 113.6 | ||||
| 1673 | Q | 31.3 | Very low | 31.1 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 50.5 | 111 | 133.2 | -64.7 | 162.1 | -81.7 | 0 | 0 | 121.3 | ||||
| 1674 | Y | 28.5 | Very low | 31.5 | Very low | 218 Ų | 218 | 145 Ų | 145 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | 19.4 | 150 | 117.6 | -68.5 | -76.9 | 0 | 0 | 0 | 120.4 | |||||
| 1675 | P | 33.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -141.4 | 169.6 | 28.6 | 44.2 | -26.7 | 0 | 0 | 0 | 118.5 | ||||
| 1676 | E | 35.8 | Very low | 32.1 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -62.8 | -173.2 | 150 | -66.8 | -161.4 | 135.8 | 0 | 0 | 110.9 | ||||
| 1677 | P | 35.2 | Very low | 32.3 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -147.7 | -158.3 | 13.7 | 35.1 | -8.2 | 0 | 0 | 0 | 115.8 | ||||
| 1678 | N | 30.1 | Very low | 32.5 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 79.6 | 140.1 | 141.3 | -83.3 | -14.3 | 0 | 0 | 0 | 119.6 | ||||
| 1679 | T | 28.8 | Very low | 32.4 | Very low | 95 Ų | 95 | 133.7 Ų | 133.7 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | cis | -174.6 | -180 | -25.8 | 7.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1680 | L | 27.7 | Very low | 32.6 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 67% | 0.665 | 73% | 0.73 | S | S | * | * | trans | 63.9 | 118 | 147 | -89.7 | 51.7 | 0 | 0 | 0 | 114.9 | ||||
| 1681 | K | 29.2 | Very low | 32.6 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 71% | 0.709 | 72% | 0.72 | S | S | * | * | 140.6 | 164.8 | 64.8 | -106.9 | 176.3 | 178.8 | 168.4 | 0 | 107.2 | |||||
| 1682 | Q | 28.4 | Very low | 32.5 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | cis | -171 | 165.3 | -21 | -134.5 | 171 | -13.1 | 0 | 0 | 107.2 | ||||
| 1683 | S | 29.9 | Very low | 32.6 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | trans | 71.3 | 145.8 | 159.9 | -135 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1684 | T | 34.2 | Very low | 32.4 | Very low | 116 Ų | 116 | 126.8 Ų | 126.8 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | cis | -156.7 | 132.9 | -4 | -8.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1685 | N | 34.1 | Very low | 32.3 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | 57 | 148.8 | 69.2 | -118 | 5 | 0 | 0 | 0 | 114.6 | |||||
| 1686 | P | 36.2 | Very low | 31.9 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | cis | -139.3 | 167.8 | -3 | 42.1 | -25.6 | 0 | 0 | 0 | 116.8 | ||||
| 1687 | A | 35 | Very low | 31.7 | Very low | 88 Ų | 88 | 125.5 Ų | 125.5 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -174.3 | 108.4 | 143.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1688 | S | 34.3 | Very low | 31.4 | Very low | 98 Ų | 98 | 125 Ų | 125 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | 20.6 | 138 | 133.3 | 53.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1689 | D | 33.9 | Very low | 31.6 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 86% | 0.861 | 70% | 0.7 | S | S | * | * | cis | -155.4 | -176 | 11.6 | -112 | -30.4 | 0 | 0 | 0 | 114.6 | ||||
| 1690 | S | 34.1 | Very low | 31.7 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 46% | 0.462 | 70% | 0.696 | S | S | . | * | trans | -98.7 | 151.1 | -150.1 | 69 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1691 | N | 35 | Very low | 32 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | trans | 77.4 | 153.9 | 140.6 | -72.4 | -25.4 | 0 | 0 | 0 | 121.8 | N1566 | N1566-N1691 PolarHBondContact OD1-ND2 3.31Š| ||
| 1692 | S | 31.9 | Very low | 32.2 | Very low | 108 Ų | 108 | 128.3 Ų | 128.3 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -121.7 | -163.3 | -172.1 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1693 | P | 37.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -121.7 | 169.9 | -41.4 | 33.8 | -20.3 | 0 | 0 | 0 | 111.9 | ||||
| 1694 | L | 26.7 | Very low | 32.3 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | 169.7 | 133.7 | 136.8 | -95.2 | 161.8 | 0 | 0 | 0 | 114 | ||||
| 1695 | K | 26.5 | Very low | 32.2 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 64.2 | 148.6 | 146.2 | -77.7 | 174.8 | 179.4 | 177.5 | 0 | 122.9 | ||||
| 1696 | F | 25.8 | Very low | 32.1 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | trans | 96.8 | 136.7 | 139.9 | -85.5 | -50.9 | 0 | 0 | 0 | 121.9 | ||||
| 1697 | Q | 31.1 | Very low | 31.9 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | trans | 73.2 | 97.7 | 145.2 | -71.6 | 170.7 | 16.1 | 0 | 0 | 119.1 | ||||
| 1698 | D | 29.5 | Very low | 31.7 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 44% | 0.444 | 72% | 0.717 | S | S | . | * | 25.3 | 122 | 104.9 | -70.3 | -82.9 | 0 | 0 | 0 | 119.1 | T990 | T990-D1698 WeakPolarHBondContact CB-OD1 3.47Å; T990-D1698 WeakPolarHBondContact CG2-OD1 3.46Å; T990-D1698 VanDerWaalsContact OG1-CG 3.24Å; T990-D1698 PolarHBondContact OG1-OD1 3.26Å | |||
| 1699 | K | 33.9 | Very low | 31.5 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | -152.6 | 117.1 | 117 | -108.5 | 144.4 | -171.8 | 165.8 | 0 | 113.4 | |||||
| 1700 | T | 31.4 | Very low | 31.3 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 48% | 0.479 | 71% | 0.709 | S | S | . | * | trans | -27.1 | 141.8 | 148.1 | 45.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 1701 | N | 33.4 | Very low | 31.1 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | 175.1 | 156.6 | 103.7 | -93.3 | -57 | 0 | 0 | 0 | 113.8 | |||||
| 1702 | Q | 33.3 | Very low | 30.8 | Very low | 184 Ų | 184 | 146.9 Ų | 146.9 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | 66.6 | 127 | 167.3 | -63.4 | 164.4 | 25.7 | 0 | 0 | 116.4 | ||||
| 1703 | K | 29 | Very low | 30.7 | Very low | 245 Ų | 245 | 150.5 Ų | 150.5 | 100% | 1.065 | 73% | 0.73 | S | S | * | * | cis | -100.2 | 0 | -3.3 | -76.9 | -177.4 | 175.1 | 178.9 | 0 | 112.6 |
Retrieved 1,703 of 1,703 residues in 306.1 ms
(Link to these results)