| 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 | 38.2 | Very low | 47.4 | Very low | 246 Ų | 246 | 105.5 Ų | 105.5 | 100% | 1.212 | 52% | 0.517 | S | S | * | . | 0 | 96.8 | 0 | -79.9 | 171.7 | 169 | 0 | 0 | 106.4 | N3 | M1-N3 PolarHBondContact O-N 3.03Š| |||
| 2 | H | 37.2 | Very low | 48.3 | Very low | 173 Ų | 173 | 101.3 Ų | 101.3 | 80% | 0.801 | 50% | 0.498 | S | S | * | . | trans | -66.6 | 122.4 | 177.3 | -122.2 | -111.3 | 0 | 0 | 0 | 107.6 | I4 | H2-I4 PolarHBondContact O-N 2.69Š| ||
| 3 | N | 42.7 | Very low | 49.4 | Very low | 68 Ų | 68 | 95.1 Ų | 95.1 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | trans | -81.3 | 85 | -170.5 | -163.6 | 12.2 | 0 | 0 | 0 | 108.5 | M1 R5 E6 | M1-N3 PolarHBondContact O-N 3.03Å; N3-R5 PolarHBondContact O-N 3.44Å; N3-R5 WeakPolarHBondContact OD1-CB 3.47Å; N3-R5 WeakPolarHBondContact OD1-CD 3.29Å; N3-R5 WeakPolarHBondContact OD1-CG 3.41Å; N3-E6 HydrophobicContact CB-CG 4.33Å; N3-E6 VanDerWaalsContact CB-OE2 3.29Å; N3-E6 WeakPolarHBondContact CB-OE2 3.31Å; N3-E6 WeakPolarHBondContact ND2-CG 3.28Å; N3-E6 PolarHBondContact ND2-OE2 3.26Å; N3-E6 PolarHBondContact O-N 3.32Å | ||
| 4 | I | 40.9 | Very low | 50.2 | Low | 126 Ų | 126 | 90.2 Ų | 90.2 | 65% | 0.646 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -50.6 | -23.3 | 175.3 | -61.4 | 166.1 | 0 | 0 | 0 | 111.2 | H2 L8 | H2-I4 PolarHBondContact O-N 2.69Å; I4-L8 HydrophobicContact CG2-CD1 3.92Å; I4-L8 PolarHBondContact O-N 2.99Å |
| 5 | R | 47.6 | Very low | 50.8 | Low | 111 Ų | 111 | 93.5 Ų | 93.5 | 42% | 0.419 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 174.8 | -55 | 177.9 | 175.7 | -119.8 | 11.2 | 113.4 | N3 L9 G82 | N3-R5 PolarHBondContact O-N 3.44Å; N3-R5 WeakPolarHBondContact OD1-CB 3.47Å; N3-R5 WeakPolarHBondContact OD1-CD 3.29Å; N3-R5 WeakPolarHBondContact OD1-CG 3.41Å; R5-L9 HydrophobicContact CB-CD1 4.4Å; R5-L9 WeakPolarHBondContact O-CB 3.5Å; R5-L9 WeakPolarHBondContact O-CD1 3.46Å; R5-L9 WeakPolarHBondContact O-CG 3.24Å; R5-L9 PolarHBondContact O-N 3.48Å; R5-L9 VanDerWaalsContact O-N 3.11Å; R5-G82 PolarHBondContact NH1-O 3.04Å; R5-G82 VanDerWaalsContact NH2-C 3.32Å; R5-G82 PolarHBondContact NH2-O 2.76Å |
| 6 | E | 46.4 | Very low | 51.3 | Low | 61 Ų | 61 | 89.5 Ų | 89.5 | 29% | 0.285 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -76.1 | -42.9 | -178.8 | -74.9 | 174 | 134.7 | 0 | 0 | 110.9 | N3 L8 L10 Y38 | N3-E6 HydrophobicContact CB-CG 4.33Å; N3-E6 VanDerWaalsContact CB-OE2 3.29Å; N3-E6 WeakPolarHBondContact CB-OE2 3.31Å; N3-E6 WeakPolarHBondContact ND2-CG 3.28Å; N3-E6 PolarHBondContact ND2-OE2 3.26Å; N3-E6 PolarHBondContact O-N 3.32Å; E6-L8 PolarHBondContact O-N 2.97Å; E6-L10 HydrophobicContact CB-CD1 4.28Å; E6-L10 VanDerWaalsContact O-CB 3.31Å; E6-L10 WeakPolarHBondContact O-CB 3.43Å; E6-L10 VanDerWaalsContact O-CD1 3.29Å; E6-L10 WeakPolarHBondContact O-CD1 3.43Å; E6-L10 WeakPolarHBondContact O-CG 3.22Å; E6-L10 PolarHBondContact O-N 3.35Å; E6-Y38 WeakPolarHBondContact OE1-CD1 3.43Å |
| 7 | E | 44.2 | Very low | 51.8 | Low | 141 Ų | 141 | 85.6 Ų | 85.6 | 66% | 0.659 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.5 | -29.7 | -179 | -64.1 | -78.3 | 115.9 | 0 | 0 | 113.2 | P11 | E7-P11 WeakPolarHBondContact O-CD 3.27Å; E7-P11 WeakPolarHBondContact O-CG 3.26Å |
| 8 | L | 53 | Low | 52.1 | Low | 94 Ų | 94 | 86.1 Ų | 86.1 | 49% | 0.492 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -95.7 | -40.3 | -179.9 | -74.2 | 164.3 | 0 | 0 | 0 | 113.3 | I4 E6 P11 I12 | I4-L8 HydrophobicContact CG2-CD1 3.92Å; I4-L8 PolarHBondContact O-N 2.99Å; E6-L8 PolarHBondContact O-N 2.97Å; L8-P11 WeakPolarHBondContact O-CD 3.33Å; L8-P11 WeakPolarHBondContact O-CG 3.41Å; L8-I12 WeakPolarHBondContact O-CD1 3.4Å; L8-I12 WeakPolarHBondContact O-CG1 3.27Å |
| 9 | L | 55 | Low | 52.3 | Low | 49 Ų | 49 | 85.9 Ų | 85.9 | 26% | 0.257 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -73.1 | -30.5 | -176.3 | -70.3 | 170.8 | 0 | 0 | 0 | 112.4 | R5 M13 | R5-L9 HydrophobicContact CB-CD1 4.4Å; R5-L9 WeakPolarHBondContact O-CB 3.5Å; R5-L9 WeakPolarHBondContact O-CD1 3.46Å; R5-L9 WeakPolarHBondContact O-CG 3.24Å; R5-L9 PolarHBondContact O-N 3.48Å; R5-L9 VanDerWaalsContact O-N 3.11Å; L9-M13 HydrophobicContact CB-CE 4.09Å; L9-M13 VanDerWaalsContact O-CB 3.27Å; L9-M13 WeakPolarHBondContact O-CB 3.31Å; L9-M13 WeakPolarHBondContact O-CE 3.16Å; L9-M13 VanDerWaalsContact O-CG 3.23Å; L9-M13 WeakPolarHBondContact O-CG 3.17Å; L9-M13 PolarHBondContact O-N 3.46Å |
| 10 | L | 58.4 | Low | 52.4 | Low | 29 Ų | 29 | 85 Ų | 85 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67 | -50.4 | -179.3 | -65.2 | 175.1 | 0 | 0 | 0 | 114.5 | E6 I12 M13 S14 L32 Y38 | E6-L10 HydrophobicContact CB-CD1 4.28Å; E6-L10 VanDerWaalsContact O-CB 3.31Å; E6-L10 WeakPolarHBondContact O-CB 3.43Å; E6-L10 VanDerWaalsContact O-CD1 3.29Å; E6-L10 WeakPolarHBondContact O-CD1 3.43Å; E6-L10 WeakPolarHBondContact O-CG 3.22Å; E6-L10 PolarHBondContact O-N 3.35Å; L10-I12 VanDerWaalsContact C-N 3.28Å; L10-I12 PolarHBondContact O-N 3.24Å; L10-M13 HydrophobicContact CD2-CE 3.94Å; L10-M13 PolarHBondContact O-N 3.05Å; L10-S14 WeakPolarHBondContact O-CB 3.47Å; L10-S14 PolarHBondContact O-N 2.87Å; L10-L32 HydrophobicContact CD2-CD1 4.01Å; L10-Y38 HydrophobicContact CD1-CE1 3.57Å; L10-Y38 HydrophobicContact CD2-CE1 3.54Å; L10-Y38 VanDerWaalsContact CD2-CZ 3.42Å; L10-Y38 WeakPolarHBondContact CD2-OH 3.1Å; L10-Y38 HydrophobicContact CG-CE1 4.11Å |
| 11 | P | 57.5 | Low | 52.5 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 40% | 0.403 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 175.4 | 21.5 | -31 | 0 | 0 | 0 | 111 | E7 L8 S14 E15 | E7-P11 WeakPolarHBondContact O-CD 3.27Å; E7-P11 WeakPolarHBondContact O-CG 3.26Å; L8-P11 WeakPolarHBondContact O-CD 3.33Å; L8-P11 WeakPolarHBondContact O-CG 3.41Å; P11-S14 PolarHBondContact O-N 3.02Å; P11-E15 WeakPolarHBondContact O-CB 3.33Å; P11-E15 WeakPolarHBondContact O-CG 3.41Å; P11-E15 PolarHBondContact O-N 3.41Å |
| 12 | I | 58.8 | Low | 53.5 | Low | 55 Ų | 55 | 80.5 Ų | 80.5 | 28% | 0.282 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.7 | -48.7 | 179.3 | -61.7 | 168.2 | 0 | 0 | 0 | 111.6 | L8 L10 S14 E15 V16 V71 | L8-I12 WeakPolarHBondContact O-CD1 3.4Å; L8-I12 WeakPolarHBondContact O-CG1 3.27Å; L10-I12 VanDerWaalsContact C-N 3.28Å; L10-I12 PolarHBondContact O-N 3.24Å; I12-S14 VanDerWaalsContact C-N 3.3Å; I12-S14 PolarHBondContact O-N 2.85Å; I12-E15 PolarHBondContact O-N 3.28Å; I12-V16 HydrophobicContact CG2-CG2 4.32Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.42Å; I12-V16 VanDerWaalsContact O-CG2 3.23Å; I12-V16 WeakPolarHBondContact O-CG2 3.15Å; I12-V16 PolarHBondContact O-N 2.87Å; I12-V71 HydrophobicContact CG2-CB 4.21Å; I12-V71 HydrophobicContact CG2-CG1 3.5Å; I12-V71 HydrophobicContact CG2-CG2 3.57Å |
| 13 | M | 62.4 | Low | 54.5 | Low | 21 Ų | 21 | 74.8 Ų | 74.8 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.8 | -73.8 | -172.2 | -62 | 0 | 0 | 111.3 | L9 L10 L17 L32 F37 W51 | L9-M13 HydrophobicContact CB-CE 4.09Å; L9-M13 VanDerWaalsContact O-CB 3.27Å; L9-M13 WeakPolarHBondContact O-CB 3.31Å; L9-M13 WeakPolarHBondContact O-CE 3.16Å; L9-M13 VanDerWaalsContact O-CG 3.23Å; L9-M13 WeakPolarHBondContact O-CG 3.17Å; L9-M13 PolarHBondContact O-N 3.46Å; L10-M13 HydrophobicContact CD2-CE 3.94Å; L10-M13 PolarHBondContact O-N 3.05Å; M13-L17 HydrophobicContact CB-CD1 4.17Å; M13-L17 WeakPolarHBondContact O-CB 3.45Å; M13-L17 WeakPolarHBondContact O-CD1 3.21Å; M13-L17 VanDerWaalsContact O-CG 3.31Å; M13-L17 WeakPolarHBondContact O-CG 3.42Å; M13-L17 PolarHBondContact O-N 2.77Å; M13-L32 HydrophobicContact CE-CD1 3.49Å; M13-L32 VanDerWaalsContact CE-CD1 3.49Å; M13-L32 HydrophobicContact CE-CD2 3.89Å; M13-L32 HydrophobicContact CE-CG 4.37Å; M13-L32 HydrophobicContact SD-CD1 4.2Å; M13-L32 HydrophobicContact SD-CD2 3.92Å; M13-F37 HydrophobicContact CE-CD1 4.33Å; M13-F37 HydrophobicContact CE-CE1 4.16Å; M13-F37 HydrophobicContact SD-CE1 4.03Å; M13-W51 HydrophobicContact SD-CZ3 4.37Å |
| 14 | S | 60.8 | Low | 55.1 | Low | 27 Ų | 27 | 73.6 Ų | 73.6 | 19% | 0.189 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | L10 P11 I12 V16 L17 H18 | L10-S14 WeakPolarHBondContact O-CB 3.47Å; L10-S14 PolarHBondContact O-N 2.87Å; P11-S14 PolarHBondContact O-N 3.02Å; I12-S14 VanDerWaalsContact C-N 3.3Å; I12-S14 PolarHBondContact O-N 2.85Å; S14-V16 VanDerWaalsContact C-N 3.31Å; S14-V16 PolarHBondContact O-N 3.45Å; S14-L17 PolarHBondContact O-N 2.94Å; S14-H18 WeakPolarHBondContact O-CA 3.48Å; S14-H18 WeakPolarHBondContact O-CB 3.46Å; S14-H18 PolarHBondContact O-N 3.44Å |
| 15 | E | 58.7 | Low | 55.9 | Low | 139 Ų | 139 | 70.3 Ų | 70.3 | 65% | 0.65 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.7 | -33 | -179.9 | -72.9 | -172.8 | 162.1 | 0 | 0 | 113.3 | P11 I12 P19 | P11-E15 WeakPolarHBondContact O-CB 3.33Å; P11-E15 WeakPolarHBondContact O-CG 3.41Å; P11-E15 PolarHBondContact O-N 3.41Å; I12-E15 PolarHBondContact O-N 3.28Å; E15-P19 WeakPolarHBondContact O-CD 3.19Å; E15-P19 WeakPolarHBondContact O-CG 3.42Å |
| 16 | V | 58.8 | Low | 56.3 | Low | 30 Ų | 30 | 69.9 Ų | 69.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -80.9 | -35.2 | 179 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | I12 S14 F20 K67 V71 | I12-V16 HydrophobicContact CG2-CG2 4.32Å; I12-V16 VanDerWaalsContact O-CB 3.31Å; I12-V16 WeakPolarHBondContact O-CB 3.42Å; I12-V16 VanDerWaalsContact O-CG2 3.23Å; I12-V16 WeakPolarHBondContact O-CG2 3.15Å; I12-V16 PolarHBondContact O-N 2.87Å; S14-V16 VanDerWaalsContact C-N 3.31Å; S14-V16 PolarHBondContact O-N 3.45Å; V16-F20 WeakPolarHBondContact O-CD2 3.37Å; V16-F20 WeakPolarHBondContact O-CE2 3.19Å; V16-K67 HydrophobicContact CG1-CB 4.25Å; V16-K67 HydrophobicContact CG1-CD 4.41Å; V16-V71 HydrophobicContact CG2-CG2 4.27Å |
| 17 | L | 59.9 | Low | 56.8 | Low | 24 Ų | 24 | 72 Ų | 72 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -91.9 | -31.5 | -177.3 | -67.7 | 161.1 | 0 | 0 | 0 | 112.9 | M13 S14 F20 L21 I28 W51 | M13-L17 HydrophobicContact CB-CD1 4.17Å; M13-L17 WeakPolarHBondContact O-CB 3.45Å; M13-L17 WeakPolarHBondContact O-CD1 3.21Å; M13-L17 VanDerWaalsContact O-CG 3.31Å; M13-L17 WeakPolarHBondContact O-CG 3.42Å; M13-L17 PolarHBondContact O-N 2.77Å; S14-L17 PolarHBondContact O-N 2.94Å; L17-F20 PolarHBondContact O-N 2.75Å; L17-L21 HydrophobicContact CB-CD1 4.21Å; L17-L21 HydrophobicContact CD2-CD1 3.81Å; L17-L21 HydrophobicContact CD2-CG 4.49Å; L17-L21 PolarHBondContact O-N 3.04Å; L17-I28 HydrophobicContact CB-CD1 3.75Å; L17-I28 HydrophobicContact CB-CG1 4.24Å; L17-I28 HydrophobicContact CD1-CG2 4.1Å; L17-W51 HydrophobicContact CD1-CH2 4.47Å |
| 18 | H | 57.5 | Low | 57.6 | Low | 94 Ų | 94 | 65.6 Ų | 65.6 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.6 | -49.6 | -178.7 | 178.5 | -109.7 | 0 | 0 | 0 | 113.6 | S14 F20 H22 I23 I28 | S14-H18 WeakPolarHBondContact O-CA 3.48Å; S14-H18 WeakPolarHBondContact O-CB 3.46Å; S14-H18 PolarHBondContact O-N 3.44Å; H18-F20 VanDerWaalsContact C-N 3.27Å; H18-F20 PolarHBondContact O-N 2.77Å; H18-H22 PolarHBondContact O-N 3.22Å; H18-I23 PolarHBondContact CD2-O 3.11Å; H18-I28 HydrophobicContact CB-CD1 4.19Å |
| 19 | P | 56.5 | Low | 57.6 | Low | 82 Ų | 82 | 64.7 Ų | 64.7 | 53% | 0.532 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.2 | -15.1 | 179 | 26.2 | -30.2 | 0 | 0 | 0 | 113.9 | E15 | E15-P19 WeakPolarHBondContact O-CD 3.19Å; E15-P19 WeakPolarHBondContact O-CG 3.42Å |
| 20 | F | 53.3 | Low | 57.5 | Low | 67 Ų | 67 | 65 Ų | 65 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -94.7 | -34.7 | -177 | -77.2 | -94.2 | 0 | 0 | 0 | 113.5 | V16 L17 H18 A63 I64 K67 | V16-F20 WeakPolarHBondContact O-CD2 3.37Å; V16-F20 WeakPolarHBondContact O-CE2 3.19Å; L17-F20 PolarHBondContact O-N 2.75Å; H18-F20 VanDerWaalsContact C-N 3.27Å; H18-F20 PolarHBondContact O-N 2.77Å; F20-A63 HydrophobicContact CE1-CB 4.45Å; F20-I64 HydrophobicContact CB-CD1 3.97Å; F20-I64 HydrophobicContact CD1-CD1 3.67Å; F20-I64 HydrophobicContact CD1-CG1 3.55Å; F20-I64 HydrophobicContact CE1-CD1 4.39Å; F20-I64 HydrophobicContact CE1-CG1 3.78Å; F20-I64 HydrophobicContact CG-CD1 3.97Å; F20-I64 HydrophobicContact CG-CG1 4Å; F20-I64 HydrophobicContact CZ-CG1 4.38Å; F20-K67 HydrophobicContact CE2-CD 3.86Å; F20-K67 HydrophobicContact CZ-CD 3.72Å |
| 21 | L | 54.4 | Low | 57.4 | Low | 54 Ų | 54 | 65.8 Ų | 65.8 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -100.9 | -8.8 | -172 | -60.8 | 179.8 | 0 | 0 | 0 | 113.2 | L17 I23 C58 | L17-L21 HydrophobicContact CB-CD1 4.21Å; L17-L21 HydrophobicContact CD2-CD1 3.81Å; L17-L21 HydrophobicContact CD2-CG 4.49Å; L17-L21 PolarHBondContact O-N 3.04Å; L21-I23 HydrophobicContact CB-CB 3.75Å; L21-I23 HydrophobicContact CB-CD1 3.49Å; L21-I23 VanDerWaalsContact CB-CD1 3.49Å; L21-I23 HydrophobicContact CB-CG1 3.48Å; L21-I23 VanDerWaalsContact CB-CG1 3.48Å; L21-I23 HydrophobicContact CD1-CD1 3.76Å; L21-I23 HydrophobicContact CG-CD1 4.17Å; L21-I23 WeakPolarHBondContact O-CG1 3.23Å; L21-I23 PolarHBondContact O-N 2.98Å; L21-C58 VanDerWaalsContact CD2-SG 3.53Å |
| 22 | H | 58.7 | Low | 57.4 | Low | 184 Ų | 184 | 63.5 Ų | 63.5 | 85% | 0.852 | 34% | 0.343 | S | S | * | . | trans | 52.1 | 24.3 | -166.1 | -83 | -118.8 | 0 | 0 | 0 | 111.6 | H18 | H18-H22 PolarHBondContact O-N 3.22Š| ||
| 23 | I | 58.8 | Low | 57.1 | Low | 52 Ų | 52 | 64.8 Ų | 64.8 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | trans | -97.8 | 129.5 | -178.1 | -70.8 | 180 | 0 | 0 | 0 | 106.8 | H18 L21 E27 I28 | H18-I23 PolarHBondContact CD2-O 3.11Å; L21-I23 HydrophobicContact CB-CB 3.75Å; L21-I23 HydrophobicContact CB-CD1 3.49Å; L21-I23 VanDerWaalsContact CB-CD1 3.49Å; L21-I23 HydrophobicContact CB-CG1 3.48Å; L21-I23 VanDerWaalsContact CB-CG1 3.48Å; L21-I23 HydrophobicContact CD1-CD1 3.76Å; L21-I23 HydrophobicContact CG-CD1 4.17Å; L21-I23 WeakPolarHBondContact O-CG1 3.23Å; L21-I23 PolarHBondContact O-N 2.98Å; I23-E27 HydrophobicContact CB-CB 4.49Å; I23-E27 HydrophobicContact CG2-CB 3.15Å; I23-E27 HydrophobicContact CG2-CG 4.27Å; I23-I28 HydrophobicContact CB-CG1 4.37Å; I23-I28 HydrophobicContact CG2-CG1 3.79Å | ||
| 24 | S | 56.5 | Low | 56.7 | Low | 43 Ų | 43 | 70.6 Ų | 70.6 | 30% | 0.301 | 38% | 0.384 | S | S | . | . | trans | -61.7 | 152.7 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | T26 E27 I28 | S24-T26 PolarHBondContact O-N 3.4Å; S24-E27 PolarHBondContact N-OE2 3.04Å; S24-E27 VanDerWaalsContact N-OE2 3.11Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E27 WeakPolarHBondContact OG-CG 3.23Å; S24-E27 PolarHBondContact OG-N 3.21Å; S24-E27 PolarHBondContact OG-OE2 2.8Å; S24-I28 PolarHBondContact O-N 2.97Å | ||
| 25 | P | 57.5 | Low | 56.2 | Low | 57 Ų | 57 | 73 Ų | 73 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -51.9 | -34.1 | 174.2 | -27.6 | 36.8 | 0 | 0 | 0 | 112.6 | I28 Q29 | P25-I28 PolarHBondContact O-N 2.89Å; P25-Q29 WeakPolarHBondContact O-CB 3.01Å; P25-Q29 WeakPolarHBondContact O-CG 3.03Å; P25-Q29 PolarHBondContact O-N 3.34Å |
| 26 | T | 56 | Low | 55.7 | Low | 102 Ų | 102 | 67.3 Ų | 67.3 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | 175.5 | -49.6 | 0 | 0 | 0 | 0 | 113.1 | S24 S30 | S24-T26 PolarHBondContact O-N 3.4Å; T26-S30 VanDerWaalsContact O-CB 3.31Å; T26-S30 WeakPolarHBondContact O-CB 3.31Å; T26-S30 PolarHBondContact O-N 2.89Å; T26-S30 PolarHBondContact O-OG 3.32Å |
| 27 | E | 56.7 | Low | 55.3 | Low | 105 Ų | 105 | 68.7 Ų | 68.7 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.1 | -31.1 | 176.5 | -76.1 | 177.5 | 124.8 | 0 | 0 | 111.9 | I23 S24 S30 A31 | I23-E27 HydrophobicContact CB-CB 4.49Å; I23-E27 HydrophobicContact CG2-CB 3.15Å; I23-E27 HydrophobicContact CG2-CG 4.27Å; S24-E27 PolarHBondContact N-OE2 3.04Å; S24-E27 VanDerWaalsContact N-OE2 3.11Å; S24-E27 PolarHBondContact O-N 3.49Å; S24-E27 WeakPolarHBondContact OG-CG 3.23Å; S24-E27 PolarHBondContact OG-N 3.21Å; S24-E27 PolarHBondContact OG-OE2 2.8Å; E27-S30 PolarHBondContact O-N 2.86Å; E27-A31 WeakPolarHBondContact O-CB 3.19Å; E27-A31 PolarHBondContact O-N 2.91Å |
| 28 | I | 59.6 | Low | 54.5 | Low | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -48 | 169.8 | -65.7 | 164.3 | 0 | 0 | 0 | 109.6 | L17 H18 I23 S24 P25 S30 A31 L32 | L17-I28 HydrophobicContact CB-CD1 3.75Å; L17-I28 HydrophobicContact CB-CG1 4.24Å; L17-I28 HydrophobicContact CD1-CG2 4.1Å; H18-I28 HydrophobicContact CB-CD1 4.19Å; I23-I28 HydrophobicContact CB-CG1 4.37Å; I23-I28 HydrophobicContact CG2-CG1 3.79Å; S24-I28 PolarHBondContact O-N 2.97Å; P25-I28 PolarHBondContact O-N 2.89Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-S30 PolarHBondContact O-N 2.83Å; I28-A31 PolarHBondContact O-N 3.43Å; I28-L32 HydrophobicContact CG2-CD1 3.76Å; I28-L32 HydrophobicContact CG2-CG 4.42Å; I28-L32 VanDerWaalsContact O-CB 3.31Å; I28-L32 WeakPolarHBondContact O-CB 3.29Å; I28-L32 WeakPolarHBondContact O-CD1 3.08Å; I28-L32 WeakPolarHBondContact O-CG 3.31Å; I28-L32 PolarHBondContact O-N 2.81Å |
| 29 | Q | 54.1 | Low | 53.7 | Low | 75 Ų | 75 | 69.4 Ų | 69.4 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 173.5 | -71.2 | -89.1 | -24.3 | 0 | 0 | 110.7 | P25 A31 L32 V33 Y38 | P25-Q29 WeakPolarHBondContact O-CB 3.01Å; P25-Q29 WeakPolarHBondContact O-CG 3.03Å; P25-Q29 PolarHBondContact O-N 3.34Å; Q29-A31 PolarHBondContact O-N 2.79Å; Q29-L32 CarbonylContact O-C 3.6Å; Q29-L32 PolarHBondContact O-N 3.24Å; Q29-V33 WeakPolarHBondContact O-CB 3.34Å; Q29-V33 VanDerWaalsContact O-CG2 3.24Å; Q29-V33 WeakPolarHBondContact O-CG2 3.39Å; Q29-V33 PolarHBondContact O-N 3.45Å; Q29-Y38 WeakPolarHBondContact CA-OH 3.17Å; Q29-Y38 PolarHBondContact NE2-OH 3.21Å; Q29-Y38 PolarHBondContact OE1-OH 3.02Å |
| 30 | S | 52.7 | Low | 52.9 | Low | 54 Ų | 54 | 70.6 Ų | 70.6 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 178.2 | -63 | 0 | 0 | 0 | 0 | 111.8 | T26 E27 I28 L32 V33 I34 | T26-S30 VanDerWaalsContact O-CB 3.31Å; T26-S30 WeakPolarHBondContact O-CB 3.31Å; T26-S30 PolarHBondContact O-N 2.89Å; T26-S30 PolarHBondContact O-OG 3.32Å; E27-S30 PolarHBondContact O-N 2.86Å; I28-S30 VanDerWaalsContact C-N 3.33Å; I28-S30 PolarHBondContact O-N 2.83Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 3.08Å; S30-V33 PolarHBondContact O-N 3.28Å; S30-I34 WeakPolarHBondContact O-CB 3.2Å; S30-I34 WeakPolarHBondContact O-CD1 3.43Å; S30-I34 WeakPolarHBondContact O-CG1 3.35Å; S30-I34 PolarHBondContact O-N 2.88Å |
| 31 | A | 56.2 | Low | 52.4 | Low | 47 Ų | 47 | 79.6 Ų | 79.6 | 39% | 0.388 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E27 I28 Q29 R35 | E27-A31 WeakPolarHBondContact O-CB 3.19Å; E27-A31 PolarHBondContact O-N 2.91Å; I28-A31 PolarHBondContact O-N 3.43Å; Q29-A31 PolarHBondContact O-N 2.79Å; A31-R35 VanDerWaalsContact O-CB 3.27Å; A31-R35 WeakPolarHBondContact O-CB 3.29Å; A31-R35 PolarHBondContact O-N 3.33Å |
| 32 | L | 57.3 | Low | 51.7 | Low | 14 Ų | 14 | 80.4 Ų | 80.4 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 174.9 | -71.3 | 167 | 0 | 0 | 0 | 111.2 | L10 M13 I28 Q29 S30 G36 F37 Y38 | L10-L32 HydrophobicContact CD2-CD1 4.01Å; M13-L32 HydrophobicContact CE-CD1 3.49Å; M13-L32 VanDerWaalsContact CE-CD1 3.49Å; M13-L32 HydrophobicContact CE-CD2 3.89Å; M13-L32 HydrophobicContact CE-CG 4.37Å; M13-L32 HydrophobicContact SD-CD1 4.2Å; M13-L32 HydrophobicContact SD-CD2 3.92Å; I28-L32 HydrophobicContact CG2-CD1 3.76Å; I28-L32 HydrophobicContact CG2-CG 4.42Å; I28-L32 VanDerWaalsContact O-CB 3.31Å; I28-L32 WeakPolarHBondContact O-CB 3.29Å; I28-L32 WeakPolarHBondContact O-CD1 3.08Å; I28-L32 WeakPolarHBondContact O-CG 3.31Å; I28-L32 PolarHBondContact O-N 2.81Å; Q29-L32 CarbonylContact O-C 3.6Å; Q29-L32 PolarHBondContact O-N 3.24Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-L32 PolarHBondContact O-N 3.08Å; L32-G36 PolarHBondContact O-N 2.97Å; L32-F37 HydrophobicContact CB-CB 3.96Å; L32-F37 HydrophobicContact CD2-CB 3.78Å; L32-F37 HydrophobicContact CD2-CD1 3.55Å; L32-F37 HydrophobicContact CD2-CD2 3.99Å; L32-F37 HydrophobicContact CD2-CE1 4.04Å; L32-F37 HydrophobicContact CD2-CE2 4.44Å; L32-F37 HydrophobicContact CD2-CG 3.51Å; L32-F37 HydrophobicContact CD2-CZ 4.45Å; L32-F37 WeakPolarHBondContact O-CA 3.3Å; L32-F37 WeakPolarHBondContact O-CB 3.44Å; L32-F37 PolarHBondContact O-N 2.91Å; L32-Y38 VanDerWaalsContact C-CD2 3.47Å; L32-Y38 VanDerWaalsContact C-CE2 3.44Å; L32-Y38 HydrophobicContact CB-CD2 4.01Å; L32-Y38 HydrophobicContact CB-CE2 3.21Å; L32-Y38 HydrophobicContact CD1-CE2 4.49Å; L32-Y38 HydrophobicContact CG-CE2 4.47Å |
| 33 | V | 53.3 | Low | 50.8 | Low | 81 Ų | 81 | 72.8 Ų | 72.8 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.3 | -48 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | Q29 S30 G36 Y38 | Q29-V33 WeakPolarHBondContact O-CB 3.34Å; Q29-V33 VanDerWaalsContact O-CG2 3.24Å; Q29-V33 WeakPolarHBondContact O-CG2 3.39Å; Q29-V33 PolarHBondContact O-N 3.45Å; S30-V33 PolarHBondContact O-N 3.28Å; V33-G36 PolarHBondContact O-N 2.9Å; V33-Y38 HydrophobicContact CB-CD2 4.05Å; V33-Y38 HydrophobicContact CB-CE2 4.19Å; V33-Y38 HydrophobicContact CG2-CD2 3.38Å; V33-Y38 HydrophobicContact CG2-CE2 3.37Å; V33-Y38 HydrophobicContact CG2-CG 4.06Å; V33-Y38 VanDerWaalsContact N-CE2 3.32Å |
| 34 | I | 53 | Low | 50.3 | Low | 144 Ų | 144 | 74.8 Ų | 74.8 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63 | -42.4 | -180 | -69.9 | 165.7 | 0 | 0 | 0 | 110.7 | S30 G36 | S30-I34 WeakPolarHBondContact O-CB 3.2Å; S30-I34 WeakPolarHBondContact O-CD1 3.43Å; S30-I34 WeakPolarHBondContact O-CG1 3.35Å; S30-I34 PolarHBondContact O-N 2.88Å; I34-G36 PolarHBondContact O-N 3.05Å |
| 35 | R | 51.8 | Low | 49.9 | Very low | 78 Ų | 78 | 75.2 Ų | 75.2 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 4.5 | 174.7 | -88.3 | -173.8 | 154 | 122.7 | -3.3 | 113.7 | A31 F37 L50 A54 | A31-R35 VanDerWaalsContact O-CB 3.27Å; A31-R35 WeakPolarHBondContact O-CB 3.29Å; A31-R35 PolarHBondContact O-N 3.33Å; R35-F37 VanDerWaalsContact C-N 3.3Å; R35-F37 PolarHBondContact O-N 3.39Å; R35-L50 HydrophobicContact CB-CD2 4.35Å; R35-L50 HydrophobicContact CG-CD2 4.08Å; R35-L50 PolarHBondContact NE-O 3.04Å; R35-L50 VanDerWaalsContact O-CD1 3.31Å; R35-L50 WeakPolarHBondContact O-CD1 3.31Å; R35-A54 VanDerWaalsContact CZ-CA 3.48Å; R35-A54 VanDerWaalsContact CZ-CB 3.46Å; R35-A54 VanDerWaalsContact NH2-N 3.11Å |
| 36 | G | 46.3 | Very low | 49.6 | Very low | 19 Ų | 19 | 75.9 Ų | 75.9 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 25 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L32 V33 I34 Y38 T39 | L32-G36 PolarHBondContact O-N 2.97Å; V33-G36 PolarHBondContact O-N 2.9Å; I34-G36 PolarHBondContact O-N 3.05Å; G36-Y38 VanDerWaalsContact C-N 3.3Å; G36-Y38 PolarHBondContact O-N 3.42Å; G36-T39 WeakPolarHBondContact CA-OG1 3.47Å; G36-T39 PolarHBondContact O-N 3.37Å; G36-T39 PolarHBondContact O-OG1 2.88Å |
| 37 | F | 50.9 | Low | 49.2 | Very low | 58 Ų | 58 | 74.1 Ų | 74.1 | 25% | 0.254 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -70.9 | -25.7 | 179.2 | -136.6 | -97.1 | 0 | 0 | 0 | 112.5 | M13 L32 R35 W47 W51 | M13-F37 HydrophobicContact CE-CD1 4.33Å; M13-F37 HydrophobicContact CE-CE1 4.16Å; M13-F37 HydrophobicContact SD-CE1 4.03Å; L32-F37 HydrophobicContact CB-CB 3.96Å; L32-F37 HydrophobicContact CD2-CB 3.78Å; L32-F37 HydrophobicContact CD2-CD1 3.55Å; L32-F37 HydrophobicContact CD2-CD2 3.99Å; L32-F37 HydrophobicContact CD2-CE1 4.04Å; L32-F37 HydrophobicContact CD2-CE2 4.44Å; L32-F37 HydrophobicContact CD2-CG 3.51Å; L32-F37 HydrophobicContact CD2-CZ 4.45Å; L32-F37 WeakPolarHBondContact O-CA 3.3Å; L32-F37 WeakPolarHBondContact O-CB 3.44Å; L32-F37 PolarHBondContact O-N 2.91Å; R35-F37 VanDerWaalsContact C-N 3.3Å; R35-F37 PolarHBondContact O-N 3.39Å; F37-W47 HydrophobicContact CE2-CB 4.03Å; F37-W47 HydrophobicContact CZ-CB 4.36Å; F37-W51 HydrophobicContact CE2-CE3 4.37Å; F37-W51 HydrophobicContact CZ-CE3 4.34Å |
| 38 | Y | 44.4 | Very low | 49.1 | Very low | 50 Ų | 50 | 74.2 Ų | 74.2 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -91.6 | -11.7 | 175.6 | -62.7 | -99.2 | 0 | 0 | 0 | 113.5 | E6 L10 Q29 L32 V33 G36 | E6-Y38 WeakPolarHBondContact OE1-CD1 3.43Å; L10-Y38 HydrophobicContact CD1-CE1 3.57Å; L10-Y38 HydrophobicContact CD2-CE1 3.54Å; L10-Y38 VanDerWaalsContact CD2-CZ 3.42Å; L10-Y38 WeakPolarHBondContact CD2-OH 3.1Å; L10-Y38 HydrophobicContact CG-CE1 4.11Å; Q29-Y38 WeakPolarHBondContact CA-OH 3.17Å; Q29-Y38 PolarHBondContact NE2-OH 3.21Å; Q29-Y38 PolarHBondContact OE1-OH 3.02Å; L32-Y38 VanDerWaalsContact C-CD2 3.47Å; L32-Y38 VanDerWaalsContact C-CE2 3.44Å; L32-Y38 HydrophobicContact CB-CD2 4.01Å; L32-Y38 HydrophobicContact CB-CE2 3.21Å; L32-Y38 HydrophobicContact CD1-CE2 4.49Å; L32-Y38 HydrophobicContact CG-CE2 4.47Å; V33-Y38 HydrophobicContact CB-CD2 4.05Å; V33-Y38 HydrophobicContact CB-CE2 4.19Å; V33-Y38 HydrophobicContact CG2-CD2 3.38Å; V33-Y38 HydrophobicContact CG2-CE2 3.37Å; V33-Y38 HydrophobicContact CG2-CG 4.06Å; V33-Y38 VanDerWaalsContact N-CE2 3.32Å; G36-Y38 VanDerWaalsContact C-N 3.3Å; G36-Y38 PolarHBondContact O-N 3.42Å |
| 39 | T | 40 | Very low | 49 | Very low | 83 Ų | 83 | 83.3 Ų | 83.3 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -108.6 | 107.4 | -172.9 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | G36 | G36-T39 WeakPolarHBondContact CA-OG1 3.47Å; G36-T39 PolarHBondContact O-N 3.37Å; G36-T39 PolarHBondContact O-OG1 2.88Å |
| 40 | T | 39 | Very low | 48.9 | Very low | 107 Ų | 107 | 82 Ų | 82 | 66% | 0.656 | 44% | 0.443 | S | S | * | . | trans | 87.1 | 128.6 | 162.1 | 72.4 | 0 | 0 | 0 | 0 | 118 | A42 A43 | T40-A42 PolarHBondContact O-N 2.78Å; T40-A43 WeakPolarHBondContact O-CB 3.37Å; T40-A43 PolarHBondContact O-N 3.26Å | ||
| 41 | R | 43.9 | Very low | 49.1 | Very low | 256 Ų | 256 | 82 Ų | 82 | 97% | 0.966 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.3 | -4.5 | 161.8 | -167.9 | 176.8 | -180 | -144.4 | 1 | 115.8 | ||
| 42 | A | 38.7 | Very low | 49.1 | Very low | 72 Ų | 72 | 80.9 Ų | 80.9 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -9.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T40 S44 | T40-A42 PolarHBondContact O-N 2.78Å; A42-S44 PolarHBondContact O-N 3.04Å |
| 43 | A | 41.2 | Very low | 49 | Very low | 23 Ų | 23 | 84.8 Ų | 84.8 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -72.8 | -9.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T40 G45 C46 W47 | T40-A43 WeakPolarHBondContact O-CB 3.37Å; T40-A43 PolarHBondContact O-N 3.26Å; A43-G45 PolarHBondContact O-N 3.16Å; A43-C46 PolarHBondContact O-N 2.95Å; A43-C46 VanDerWaalsContact O-N 3.11Å; A43-W47 WeakPolarHBondContact O-CB 3.46Å; A43-W47 VanDerWaalsContact O-CD1 3.29Å; A43-W47 PolarHBondContact O-N 3.23Å |
| 44 | S | 47.6 | Very low | 48.9 | Very low | 95 Ų | 95 | 82.1 Ų | 82.1 | 66% | 0.664 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.9 | -9.1 | 177.4 | 64.7 | 0 | 0 | 0 | 0 | 114.3 | A42 W47 | A42-S44 PolarHBondContact O-N 3.04Å; S44-W47 PolarHBondContact O-NE1 3.13Å |
| 45 | G | 47.1 | Very low | 48.8 | Very low | 51 Ų | 51 | 77.1 Ų | 77.1 | 53% | 0.526 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -99.2 | -39.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A43 | A43-G45 PolarHBondContact O-N 3.16Å |
| 46 | C | 52 | Low | 48.8 | Very low | 71 Ų | 71 | 78.3 Ų | 78.3 | 48% | 0.48 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -82.2 | -23.5 | -175.6 | -74.7 | 0 | 0 | 0 | 0 | 114 | A43 K48 R49 L50 | A43-C46 PolarHBondContact O-N 2.95Å; A43-C46 VanDerWaalsContact O-N 3.11Å; C46-K48 PolarHBondContact O-N 3.21Å; C46-R49 PolarHBondContact O-N 3.03Å; C46-L50 HydrophobicContact CB-CD1 4.12Å; C46-L50 WeakPolarHBondContact O-CG 3.27Å; C46-L50 PolarHBondContact O-N 2.64Å |
| 47 | W | 48.4 | Very low | 49.2 | Very low | 66 Ų | 66 | 84.8 Ų | 84.8 | 25% | 0.25 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -55.1 | -37.4 | 177.4 | 74.1 | -54.8 | 0 | 0 | 0 | 111.7 | F37 A43 S44 R49 L50 W51 T86 | F37-W47 HydrophobicContact CE2-CB 4.03Å; F37-W47 HydrophobicContact CZ-CB 4.36Å; A43-W47 WeakPolarHBondContact O-CB 3.46Å; A43-W47 VanDerWaalsContact O-CD1 3.29Å; A43-W47 PolarHBondContact O-N 3.23Å; S44-W47 PolarHBondContact O-NE1 3.13Å; W47-R49 VanDerWaalsContact C-N 3.31Å; W47-R49 PolarHBondContact O-N 2.77Å; W47-L50 PolarHBondContact O-N 3.25Å; W47-W51 WeakPolarHBondContact O-CA 2.94Å; W47-W51 WeakPolarHBondContact O-CB 3.44Å; W47-W51 PolarHBondContact O-N 2.97Å; W47-T86 HydrophobicContact CH2-CG2 4.02Å; W47-T86 HydrophobicContact CZ2-CG2 3.95Å |
| 48 | K | 54.2 | Low | 49.2 | Very low | 106 Ų | 106 | 83.7 Ų | 83.7 | 46% | 0.461 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 177.1 | -63.7 | -172.4 | -168.9 | -173.3 | 0 | 112.7 | C46 G52 V89 | C46-K48 PolarHBondContact O-N 3.21Å; K48-G52 PolarHBondContact O-N 3.35Å; K48-V89 HydrophobicContact CD-CG2 3.67Å; K48-V89 HydrophobicContact CG-CG2 4.37Å |
| 49 | R | 56 | Low | 49.4 | Very low | 200 Ų | 200 | 90.6 Ų | 90.6 | 76% | 0.755 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -75.3 | -46.4 | 178.3 | -68.6 | -174 | 178.5 | -155.3 | -1.3 | 111.3 | C46 W47 W51 G52 D53 | C46-R49 PolarHBondContact O-N 3.03Å; W47-R49 VanDerWaalsContact C-N 3.31Å; W47-R49 PolarHBondContact O-N 2.77Å; R49-W51 VanDerWaalsContact C-N 3.31Å; R49-W51 PolarHBondContact O-N 3.28Å; R49-G52 PolarHBondContact O-N 3.49Å; R49-D53 WeakPolarHBondContact O-CB 3.47Å; R49-D53 VanDerWaalsContact O-CG 3.31Å; R49-D53 PolarHBondContact O-N 2.71Å |
| 50 | L | 53.5 | Low | 50 | Low | 48 Ų | 48 | 93.1 Ų | 93.1 | 25% | 0.251 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 178.9 | -72.3 | 165.4 | 0 | 0 | 0 | 112 | R35 C46 W47 A54 | R35-L50 HydrophobicContact CB-CD2 4.35Å; R35-L50 HydrophobicContact CG-CD2 4.08Å; R35-L50 PolarHBondContact NE-O 3.04Å; R35-L50 VanDerWaalsContact O-CD1 3.31Å; R35-L50 WeakPolarHBondContact O-CD1 3.31Å; C46-L50 HydrophobicContact CB-CD1 4.12Å; C46-L50 WeakPolarHBondContact O-CG 3.27Å; C46-L50 PolarHBondContact O-N 2.64Å; W47-L50 PolarHBondContact O-N 3.25Å; L50-A54 WeakPolarHBondContact O-CB 3.44Å; L50-A54 PolarHBondContact O-N 3.12Å |
| 51 | W | 56.2 | Low | 50.4 | Low | 54 Ų | 54 | 89.3 Ų | 89.3 | 21% | 0.205 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -68.4 | -46.5 | 173.5 | -166.5 | -101.5 | 0 | 0 | 0 | 110.2 | M13 L17 F37 W47 R49 D53 A54 I55 V68 | M13-W51 HydrophobicContact SD-CZ3 4.37Å; L17-W51 HydrophobicContact CD1-CH2 4.47Å; F37-W51 HydrophobicContact CE2-CE3 4.37Å; F37-W51 HydrophobicContact CZ-CE3 4.34Å; W47-W51 WeakPolarHBondContact O-CA 2.94Å; W47-W51 WeakPolarHBondContact O-CB 3.44Å; W47-W51 PolarHBondContact O-N 2.97Å; R49-W51 VanDerWaalsContact C-N 3.31Å; R49-W51 PolarHBondContact O-N 3.28Å; W51-D53 VanDerWaalsContact C-N 3.35Å; W51-D53 PolarHBondContact O-N 2.92Å; W51-A54 PolarHBondContact O-N 3.15Å; W51-I55 HydrophobicContact CD2-CD1 4.45Å; W51-I55 HydrophobicContact CG-CD1 4.27Å; W51-I55 HydrophobicContact CG-CG1 4.47Å; W51-I55 HydrophobicContact CZ2-CD1 4.25Å; W51-I55 WeakPolarHBondContact O-CB 3.22Å; W51-I55 VanDerWaalsContact O-CG1 3.24Å; W51-I55 WeakPolarHBondContact O-CG1 3.47Å; W51-I55 PolarHBondContact O-N 3.34Å; W51-V68 HydrophobicContact CH2-CG2 4.41Å; W51-V68 HydrophobicContact CZ2-CB 4.31Å; W51-V68 HydrophobicContact CZ2-CG1 3.83Å; W51-V68 HydrophobicContact CZ2-CG2 3.48Å; W51-V68 VanDerWaalsContact CZ2-CG2 3.48Å |
| 52 | G | 55.6 | Low | 50.5 | Low | 22 Ų | 22 | 78.7 Ų | 78.7 | 23% | 0.227 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K48 R49 S56 | K48-G52 PolarHBondContact O-N 3.35Å; R49-G52 PolarHBondContact O-N 3.49Å; G52-S56 WeakPolarHBondContact O-CB 3.16Å; G52-S56 PolarHBondContact O-N 2.84Å |
| 53 | D | 56 | Low | 51.1 | Low | 97 Ų | 97 | 77.5 Ų | 77.5 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.3 | -39.8 | 176 | -69.2 | -15.5 | 0 | 0 | 0 | 111.6 | R49 W51 I55 S56 E57 | R49-D53 WeakPolarHBondContact O-CB 3.47Å; R49-D53 VanDerWaalsContact O-CG 3.31Å; R49-D53 PolarHBondContact O-N 2.71Å; W51-D53 VanDerWaalsContact C-N 3.35Å; W51-D53 PolarHBondContact O-N 2.92Å; D53-I55 VanDerWaalsContact C-N 3.29Å; D53-I55 PolarHBondContact O-N 3.39Å; D53-S56 PolarHBondContact O-N 3.44Å; D53-E57 PolarHBondContact O-N 2.88Å |
| 54 | A | 51.2 | Low | 51.6 | Low | 24 Ų | 24 | 76.7 Ų | 76.7 | 20% | 0.198 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R35 L50 W51 | R35-A54 VanDerWaalsContact CZ-CA 3.48Å; R35-A54 VanDerWaalsContact CZ-CB 3.46Å; R35-A54 VanDerWaalsContact NH2-N 3.11Å; L50-A54 WeakPolarHBondContact O-CB 3.44Å; L50-A54 PolarHBondContact O-N 3.12Å; W51-A54 PolarHBondContact O-N 3.15Å |
| 55 | I | 50.5 | Low | 51.7 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.4 | -57 | 173.8 | -77.2 | -163.4 | 0 | 0 | 0 | 107.4 | W51 D53 E57 C58 L61 | W51-I55 HydrophobicContact CD2-CD1 4.45Å; W51-I55 HydrophobicContact CG-CD1 4.27Å; W51-I55 HydrophobicContact CG-CG1 4.47Å; W51-I55 HydrophobicContact CZ2-CD1 4.25Å; W51-I55 WeakPolarHBondContact O-CB 3.22Å; W51-I55 VanDerWaalsContact O-CG1 3.24Å; W51-I55 WeakPolarHBondContact O-CG1 3.47Å; W51-I55 PolarHBondContact O-N 3.34Å; D53-I55 VanDerWaalsContact C-N 3.29Å; D53-I55 PolarHBondContact O-N 3.39Å; I55-E57 PolarHBondContact O-N 2.97Å; I55-C58 WeakPolarHBondContact O-CB 2.97Å; I55-C58 PolarHBondContact O-N 3.4Å; I55-L61 VanDerWaalsContact CA-CD1 3.48Å; I55-L61 HydrophobicContact CB-CD1 3.69Å; I55-L61 HydrophobicContact CB-CD2 4.04Å; I55-L61 HydrophobicContact CD1-CD2 4.12Å; I55-L61 HydrophobicContact CG1-CD1 4.36Å; I55-L61 HydrophobicContact CG1-CD2 3.74Å; I55-L61 HydrophobicContact CG2-CB 4.43Å; I55-L61 HydrophobicContact CG2-CD1 3.1Å; I55-L61 HydrophobicContact CG2-CD2 3.91Å; I55-L61 HydrophobicContact CG2-CG 4.03Å; I55-L61 WeakPolarHBondContact O-CD1 3.46Å |
| 56 | S | 52.3 | Low | 52 | Low | 103 Ų | 103 | 71.9 Ų | 71.9 | 72% | 0.72 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -50.5 | -22.8 | -175.4 | -170.1 | 0 | 0 | 0 | 0 | 116.5 | G52 D53 | G52-S56 WeakPolarHBondContact O-CB 3.16Å; G52-S56 PolarHBondContact O-N 2.84Å; D53-S56 PolarHBondContact O-N 3.44Å |
| 57 | E | 54.4 | Low | 52.2 | Low | 155 Ų | 155 | 71.1 Ų | 71.1 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13.1 | 174.3 | -69.8 | 173.8 | 178.7 | 0 | 0 | 114.9 | D53 I55 | D53-E57 PolarHBondContact O-N 2.88Å; I55-E57 PolarHBondContact O-N 2.97Å |
| 58 | C | 50.2 | Low | 52.6 | Low | 35 Ų | 35 | 69 Ų | 69 | 24% | 0.236 | 37% | 0.365 | C | S | . | . | trans | -94.7 | 103.4 | -178.5 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | L21 I55 N60 L61 | L21-C58 VanDerWaalsContact CD2-SG 3.53Å; I55-C58 WeakPolarHBondContact O-CB 2.97Å; I55-C58 PolarHBondContact O-N 3.4Å; C58-N60 PolarHBondContact O-N 3.11Å; C58-L61 HydrophobicContact CB-CD1 3.67Å; C58-L61 HydrophobicContact CB-CD2 3.74Å; C58-L61 HydrophobicContact CB-CG 3.41Å; C58-L61 VanDerWaalsContact CB-CG 3.41Å; C58-L61 WeakPolarHBondContact O-CD1 3.44Å; C58-L61 WeakPolarHBondContact O-CG 2.89Å | ||
| 59 | E | 49.6 | Very low | 52.6 | Low | 196 Ų | 196 | 67.2 Ų | 67.2 | 92% | 0.916 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -9.5 | -179.6 | -76.3 | 179.3 | 137.8 | 0 | 0 | 115.5 | ||
| 60 | N | 51.6 | Low | 52.7 | Low | 135 Ų | 135 | 60.1 Ų | 60.1 | 72% | 0.722 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 30.4 | -172.7 | -77.6 | -36.5 | 0 | 0 | 0 | 115.5 | C58 | C58-N60 PolarHBondContact O-N 3.11Š|
| 61 | L | 48.9 | Very low | 52.9 | Low | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | trans | -85.3 | -14.9 | -166.9 | -80.4 | 164 | 0 | 0 | 0 | 119.6 | I55 C58 A63 I64 G65 | I55-L61 VanDerWaalsContact CA-CD1 3.48Å; I55-L61 HydrophobicContact CB-CD1 3.69Å; I55-L61 HydrophobicContact CB-CD2 4.04Å; I55-L61 HydrophobicContact CD1-CD2 4.12Å; I55-L61 HydrophobicContact CG1-CD1 4.36Å; I55-L61 HydrophobicContact CG1-CD2 3.74Å; I55-L61 HydrophobicContact CG2-CB 4.43Å; I55-L61 HydrophobicContact CG2-CD1 3.1Å; I55-L61 HydrophobicContact CG2-CD2 3.91Å; I55-L61 HydrophobicContact CG2-CG 4.03Å; I55-L61 WeakPolarHBondContact O-CD1 3.46Å; C58-L61 HydrophobicContact CB-CD1 3.67Å; C58-L61 HydrophobicContact CB-CD2 3.74Å; C58-L61 HydrophobicContact CB-CG 3.41Å; C58-L61 VanDerWaalsContact CB-CG 3.41Å; C58-L61 WeakPolarHBondContact O-CD1 3.44Å; C58-L61 WeakPolarHBondContact O-CG 2.89Å; L61-A63 PolarHBondContact O-N 3.2Å; L61-A63 VanDerWaalsContact O-N 3.1Å; L61-I64 HydrophobicContact CD2-CB 3.79Å; L61-I64 HydrophobicContact CD2-CD1 3.77Å; L61-I64 HydrophobicContact CD2-CG1 4.33Å; L61-I64 HydrophobicContact CD2-CG2 3.89Å; L61-I64 HydrophobicContact CG-CD1 4.45Å; L61-I64 WeakPolarHBondContact O-CA 3.5Å; L61-I64 PolarHBondContact O-N 2.87Å; L61-G65 PolarHBondContact O-N 3.34Å | ||
| 62 | G | 46 | Very low | 52.8 | Low | 34 Ų | 34 | 58.5 Ų | 58.5 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -51.8 | -39.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | C98 | G62-C98 PolarHBondContact O-SG 3.43Å |
| 63 | A | 50 | Low | 53 | Low | 47 Ų | 47 | 61.3 Ų | 61.3 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -75.7 | -20.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F20 L61 | F20-A63 HydrophobicContact CE1-CB 4.45Å; L61-A63 PolarHBondContact O-N 3.2Å; L61-A63 VanDerWaalsContact O-N 3.1Å |
| 64 | I | 52.3 | Low | 53 | Low | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -87.4 | -37.4 | -178 | -65 | 168.4 | 0 | 0 | 0 | 110 | F20 L61 E66 K67 V68 | F20-I64 HydrophobicContact CB-CD1 3.97Å; F20-I64 HydrophobicContact CD1-CD1 3.67Å; F20-I64 HydrophobicContact CD1-CG1 3.55Å; F20-I64 HydrophobicContact CE1-CD1 4.39Å; F20-I64 HydrophobicContact CE1-CG1 3.78Å; F20-I64 HydrophobicContact CG-CD1 3.97Å; F20-I64 HydrophobicContact CG-CG1 4Å; F20-I64 HydrophobicContact CZ-CG1 4.38Å; L61-I64 HydrophobicContact CD2-CB 3.79Å; L61-I64 HydrophobicContact CD2-CD1 3.77Å; L61-I64 HydrophobicContact CD2-CG1 4.33Å; L61-I64 HydrophobicContact CD2-CG2 3.89Å; L61-I64 HydrophobicContact CG-CD1 4.45Å; L61-I64 WeakPolarHBondContact O-CA 3.5Å; L61-I64 PolarHBondContact O-N 2.87Å; I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.02Å; I64-K67 PolarHBondContact O-N 3.1Å; I64-K67 VanDerWaalsContact O-N 3.15Å; I64-V68 HydrophobicContact CG2-CG2 3.93Å; I64-V68 WeakPolarHBondContact O-CG2 3.16Å; I64-V68 PolarHBondContact O-N 2.84Å |
| 65 | G | 49.7 | Very low | 53.1 | Low | 6 Ų | 6 | 57.3 Ų | 57.3 | 6% | 0.062 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.9 | -36.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L61 M69 | L61-G65 PolarHBondContact O-N 3.34Å; G65-M69 WeakPolarHBondContact O-CB 3.33Å; G65-M69 PolarHBondContact O-N 2.86Å |
| 66 | E | 54.3 | Low | 53.2 | Low | 39 Ų | 39 | 59.2 Ų | 59.2 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 172.1 | -171 | -175.1 | 150.2 | 0 | 0 | 111.3 | I64 V68 M69 D70 P101 F102 | I64-E66 VanDerWaalsContact C-N 3.31Å; I64-E66 PolarHBondContact O-N 3.02Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 3.38Å; E66-M69 WeakPolarHBondContact O-CB 3.45Å; E66-M69 PolarHBondContact O-N 2.92Å; E66-M69 VanDerWaalsContact O-N 3.12Å; E66-D70 PolarHBondContact O-N 2.91Å; E66-P101 WeakPolarHBondContact OE1-CA 3.41Å; E66-F102 PolarHBondContact OE1-N 3.38Å |
| 67 | K | 54.4 | Low | 53.4 | Low | 54 Ų | 54 | 61.5 Ų | 61.5 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 178.5 | -70.8 | -172.9 | 172.1 | -163.7 | 0 | 113.2 | V16 F20 I64 M69 D70 V71 | V16-K67 HydrophobicContact CG1-CB 4.25Å; V16-K67 HydrophobicContact CG1-CD 4.41Å; F20-K67 HydrophobicContact CE2-CD 3.86Å; F20-K67 HydrophobicContact CZ-CD 3.72Å; I64-K67 PolarHBondContact O-N 3.1Å; I64-K67 VanDerWaalsContact O-N 3.15Å; K67-M69 VanDerWaalsContact C-N 3.33Å; K67-D70 PolarHBondContact O-N 2.82Å; K67-V71 VanDerWaalsContact O-CG2 3.31Å; K67-V71 WeakPolarHBondContact O-CG2 3.24Å; K67-V71 PolarHBondContact O-N 3.1Å |
| 68 | V | 56.7 | Low | 53.3 | Low | 23 Ų | 23 | 60.1 Ų | 60.1 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.4 | -38.2 | 177.7 | 175 | 0 | 0 | 0 | 0 | 110.1 | W51 I64 E66 V71 V72 | W51-V68 HydrophobicContact CH2-CG2 4.41Å; W51-V68 HydrophobicContact CZ2-CB 4.31Å; W51-V68 HydrophobicContact CZ2-CG1 3.83Å; W51-V68 HydrophobicContact CZ2-CG2 3.48Å; W51-V68 VanDerWaalsContact CZ2-CG2 3.48Å; I64-V68 HydrophobicContact CG2-CG2 3.93Å; I64-V68 WeakPolarHBondContact O-CG2 3.16Å; I64-V68 PolarHBondContact O-N 2.84Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 3.38Å; V68-V71 PolarHBondContact O-N 3.04Å; V68-V72 HydrophobicContact CG1-CG2 4.39Å; V68-V72 WeakPolarHBondContact O-CB 3.11Å; V68-V72 WeakPolarHBondContact O-CG2 3.13Å; V68-V72 PolarHBondContact O-N 2.74Å |
| 69 | M | 54.5 | Low | 53.3 | Low | 67 Ų | 67 | 67.2 Ų | 67.2 | 33% | 0.33 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 174.5 | -172.2 | 161.2 | 7.4 | 0 | 0 | 111.4 | G65 E66 K67 V72 N73 I91 | G65-M69 WeakPolarHBondContact O-CB 3.33Å; G65-M69 PolarHBondContact O-N 2.86Å; E66-M69 WeakPolarHBondContact O-CB 3.45Å; E66-M69 PolarHBondContact O-N 2.92Å; E66-M69 VanDerWaalsContact O-N 3.12Å; K67-M69 VanDerWaalsContact C-N 3.33Å; M69-V72 PolarHBondContact O-N 3.42Å; M69-N73 VanDerWaalsContact O-CB 3.27Å; M69-N73 WeakPolarHBondContact O-CB 2.69Å; M69-N73 PolarHBondContact O-N 2.96Å; M69-I91 HydrophobicContact CB-CD1 3.69Å; M69-I91 HydrophobicContact CB-CG2 4.5Å; M69-I91 HydrophobicContact CE-CB 3.58Å; M69-I91 HydrophobicContact CE-CD1 4.41Å; M69-I91 HydrophobicContact CE-CG2 3.56Å; M69-I91 HydrophobicContact CG-CD1 3.74Å; M69-I91 HydrophobicContact SD-CB 4.03Å; M69-I91 HydrophobicContact SD-CD1 4.1Å |
| 70 | D | 59.4 | Low | 53.1 | Low | 52 Ų | 52 | 59.4 Ų | 59.4 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 174.9 | -73.9 | -17.3 | 0 | 0 | 0 | 112.2 | E66 K67 N73 A74 L107 | E66-D70 PolarHBondContact O-N 2.91Å; K67-D70 PolarHBondContact O-N 2.82Å; D70-N73 PolarHBondContact O-N 3.11Å; D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.18Å; D70-A74 PolarHBondContact O-N 3.22Å; D70-L107 HydrophobicContact CB-CD1 4.04Å |
| 71 | V | 57.5 | Low | 52.7 | Low | 32 Ų | 32 | 62.8 Ų | 62.8 | 19% | 0.194 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.3 | 166.4 | 0 | 0 | 0 | 0 | 111.5 | I12 V16 K67 V68 N73 A74 A75 | I12-V71 HydrophobicContact CG2-CB 4.21Å; I12-V71 HydrophobicContact CG2-CG1 3.5Å; I12-V71 HydrophobicContact CG2-CG2 3.57Å; V16-V71 HydrophobicContact CG2-CG2 4.27Å; K67-V71 VanDerWaalsContact O-CG2 3.31Å; K67-V71 WeakPolarHBondContact O-CG2 3.24Å; K67-V71 PolarHBondContact O-N 3.1Å; V68-V71 PolarHBondContact O-N 3.04Å; V71-N73 VanDerWaalsContact C-N 3.28Å; V71-N73 PolarHBondContact O-N 2.83Å; V71-A74 PolarHBondContact O-N 3.28Å; V71-A75 VanDerWaalsContact O-CB 3.27Å; V71-A75 WeakPolarHBondContact O-CB 3.39Å; V71-A75 PolarHBondContact O-N 2.92Å |
| 72 | V | 54.6 | Low | 52.7 | Low | 36 Ų | 36 | 62.3 Ų | 62.3 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -35.4 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | V68 M69 K76 | V68-V72 HydrophobicContact CG1-CG2 4.39Å; V68-V72 WeakPolarHBondContact O-CB 3.11Å; V68-V72 WeakPolarHBondContact O-CG2 3.13Å; V68-V72 PolarHBondContact O-N 2.74Å; M69-V72 PolarHBondContact O-N 3.42Å; V72-K76 WeakPolarHBondContact O-CG 3.41Å; V72-K76 PolarHBondContact O-N 2.85Å |
| 73 | N | 58.1 | Low | 52.6 | Low | 81 Ų | 81 | 63 Ų | 63 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.9 | -41.5 | 177.4 | -158.9 | 50.3 | 0 | 0 | 0 | 111.9 | M69 D70 V71 A75 K76 E77 | M69-N73 VanDerWaalsContact O-CB 3.27Å; M69-N73 WeakPolarHBondContact O-CB 2.69Å; M69-N73 PolarHBondContact O-N 2.96Å; D70-N73 PolarHBondContact O-N 3.11Å; V71-N73 VanDerWaalsContact C-N 3.28Å; V71-N73 PolarHBondContact O-N 2.83Å; N73-A75 VanDerWaalsContact C-N 3.28Å; N73-A75 PolarHBondContact O-N 2.75Å; N73-K76 CarbonylContact O-C 3.57Å; N73-K76 WeakPolarHBondContact O-CA 3.31Å; N73-K76 VanDerWaalsContact O-CB 3.29Å; N73-K76 WeakPolarHBondContact O-CB 3.27Å; N73-K76 PolarHBondContact O-N 2.84Å; N73-E77 PolarHBondContact O-N 3.06Å |
| 74 | A | 57.8 | Low | 52.5 | Low | 26 Ų | 26 | 66 Ų | 66 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -38.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D70 V71 K76 E77 L78 | D70-A74 VanDerWaalsContact O-CB 3.31Å; D70-A74 WeakPolarHBondContact O-CB 3.18Å; D70-A74 PolarHBondContact O-N 3.22Å; V71-A74 PolarHBondContact O-N 3.28Å; A74-K76 VanDerWaalsContact C-N 3.3Å; A74-K76 PolarHBondContact O-N 3.47Å; A74-E77 PolarHBondContact O-N 3.48Å; A74-L78 WeakPolarHBondContact O-CB 3.48Å; A74-L78 VanDerWaalsContact O-CG 3.28Å; A74-L78 WeakPolarHBondContact O-CG 2.91Å; A74-L78 PolarHBondContact O-N 3.49Å |
| 75 | A | 51.6 | Low | 52.4 | Low | 11 Ų | 11 | 72.7 Ų | 72.7 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.6 | -29.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | V71 N73 F83 | V71-A75 VanDerWaalsContact O-CB 3.27Å; V71-A75 WeakPolarHBondContact O-CB 3.39Å; V71-A75 PolarHBondContact O-N 2.92Å; N73-A75 VanDerWaalsContact C-N 3.28Å; N73-A75 PolarHBondContact O-N 2.75Å; A75-F83 HydrophobicContact CB-CD1 3.99Å; A75-F83 HydrophobicContact CB-CE1 3.6Å; A75-F83 HydrophobicContact CB-CE2 4.31Å; A75-F83 HydrophobicContact CB-CZ 3.79Å; A75-F83 WeakPolarHBondContact O-CD2 3.18Å |
| 76 | K | 52.4 | Low | 52.1 | Low | 79 Ų | 79 | 74 Ų | 74 | 34% | 0.343 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.2 | -42 | 169.1 | -78.1 | 178.2 | 166.8 | -170.7 | 0 | 111.9 | V72 N73 A74 L78 E79 T86 | V72-K76 WeakPolarHBondContact O-CG 3.41Å; V72-K76 PolarHBondContact O-N 2.85Å; N73-K76 CarbonylContact O-C 3.57Å; N73-K76 WeakPolarHBondContact O-CA 3.31Å; N73-K76 VanDerWaalsContact O-CB 3.29Å; N73-K76 WeakPolarHBondContact O-CB 3.27Å; N73-K76 PolarHBondContact O-N 2.84Å; A74-K76 VanDerWaalsContact C-N 3.3Å; A74-K76 PolarHBondContact O-N 3.47Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 3.34Å; K76-E79 PolarHBondContact O-N 3.35Å; K76-T86 VanDerWaalsContact CE-O 3.26Å; K76-T86 WeakPolarHBondContact CE-O 3.32Å; K76-T86 WeakPolarHBondContact CE-OG1 3.41Å; K76-T86 PolarHBondContact NZ-O 3.44Å |
| 77 | E | 56.4 | Low | 51.5 | Low | 151 Ų | 151 | 80.8 Ų | 80.8 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.5 | -29.4 | 176.4 | -72.7 | -174.7 | 156.6 | 0 | 0 | 112.6 | N73 A74 E79 | N73-E77 PolarHBondContact O-N 3.06Å; A74-E77 PolarHBondContact O-N 3.48Å; E77-E79 PolarHBondContact O-N 2.95Å |
| 78 | L | 53.5 | Low | 50.9 | Low | 126 Ų | 126 | 86.1 Ų | 86.1 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 6.1 | 174.7 | -77.9 | 168.4 | 0 | 0 | 0 | 114.1 | A74 K76 G80 | A74-L78 WeakPolarHBondContact O-CB 3.48Å; A74-L78 VanDerWaalsContact O-CG 3.28Å; A74-L78 WeakPolarHBondContact O-CG 2.91Å; A74-L78 PolarHBondContact O-N 3.49Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 3.34Å; L78-G80 PolarHBondContact O-N 3.36Å |
| 79 | E | 48.9 | Very low | 50.4 | Low | 184 Ų | 184 | 87.9 Ų | 87.9 | 86% | 0.86 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.5 | 29.3 | 171 | -121.5 | -176.6 | -171.8 | 0 | 0 | 114.3 | K76 E77 E81 | K76-E79 PolarHBondContact O-N 3.35Å; E77-E79 PolarHBondContact O-N 2.95Å; E79-E81 PolarHBondContact O-N 2.65Å |
| 80 | G | 45.4 | Very low | 49.9 | Very low | 32 Ų | 32 | 89 Ų | 89 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | trans | -69 | 121.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | L78 G82 F83 | L78-G80 PolarHBondContact O-N 3.36Å; G80-G82 VanDerWaalsContact C-N 3.33Å; G80-G82 PolarHBondContact O-N 3.33Å; G80-F83 PolarHBondContact O-N 3.24Å; G80-F83 VanDerWaalsContact O-N 3.08Å | ||
| 81 | E | 43.8 | Very low | 49.2 | Very low | 205 Ų | 205 | 88 Ų | 88 | 96% | 0.958 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 95.5 | 173.8 | -170.3 | 167.3 | -170.7 | 0 | 0 | 109.3 | E79 | E79-E81 PolarHBondContact O-N 2.65Š|
| 82 | G | 48.7 | Very low | 48.4 | Very low | 18 Ų | 18 | 95.7 Ų | 95.7 | 19% | 0.186 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 140.4 | -10.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | R5 G80 | R5-G82 PolarHBondContact NH1-O 3.04Å; R5-G82 VanDerWaalsContact NH2-C 3.32Å; R5-G82 PolarHBondContact NH2-O 2.76Å; G80-G82 VanDerWaalsContact C-N 3.33Å; G80-G82 PolarHBondContact O-N 3.33Å |
| 83 | F | 45.4 | Very low | 48.1 | Very low | 48 Ų | 48 | 101.2 Ų | 101.2 | 21% | 0.211 | 51% | 0.512 | C | S | . | . | trans | -102.1 | -0.9 | 174.5 | -69.5 | -82.8 | 0 | 0 | 0 | 113.7 | A75 G80 D85 T86 | A75-F83 HydrophobicContact CB-CD1 3.99Å; A75-F83 HydrophobicContact CB-CE1 3.6Å; A75-F83 HydrophobicContact CB-CE2 4.31Å; A75-F83 HydrophobicContact CB-CZ 3.79Å; A75-F83 WeakPolarHBondContact O-CD2 3.18Å; G80-F83 PolarHBondContact O-N 3.24Å; G80-F83 VanDerWaalsContact O-N 3.08Å; F83-D85 PolarHBondContact O-N 2.93Å; F83-T86 PolarHBondContact O-N 2.81Å; F83-T86 PolarHBondContact O-OG1 2.89Å | ||
| 84 | S | 47.4 | Very low | 47.6 | Very low | 110 Ų | 110 | 104.7 Ų | 104.7 | 77% | 0.769 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.1 | 177.2 | 47 | 0 | 0 | 0 | 0 | 114 | ||
| 85 | D | 49.4 | Very low | 46.8 | Very low | 146 Ų | 146 | 104.9 Ų | 104.9 | 78% | 0.781 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -3.7 | -179.3 | -74.8 | -32.3 | 0 | 0 | 0 | 114.4 | F83 K87 | F83-D85 PolarHBondContact O-N 2.93Å; D85-K87 PolarHBondContact O-N 3.38Å |
| 86 | T | 43.9 | Very low | 46.2 | Very low | 33 Ų | 33 | 107.7 Ų | 107.7 | 20% | 0.202 | 55% | 0.554 | C | S | . | * | trans | -77.1 | 71.8 | 170.7 | 41.1 | 0 | 0 | 0 | 0 | 110.1 | W47 K76 F83 E88 | W47-T86 HydrophobicContact CH2-CG2 4.02Å; W47-T86 HydrophobicContact CZ2-CG2 3.95Å; K76-T86 VanDerWaalsContact CE-O 3.26Å; K76-T86 WeakPolarHBondContact CE-O 3.32Å; K76-T86 WeakPolarHBondContact CE-OG1 3.41Å; K76-T86 PolarHBondContact NZ-O 3.44Å; F83-T86 PolarHBondContact O-N 2.81Å; F83-T86 PolarHBondContact O-OG1 2.89Å; T86-E88 PolarHBondContact O-N 2.88Å | ||
| 87 | K | 40.8 | Very low | 45.7 | Very low | 183 Ų | 183 | 111.7 Ų | 111.7 | 80% | 0.796 | 58% | 0.579 | S | S | * | * | trans | -46.6 | 113.1 | 156.9 | -83.4 | -174 | 175.2 | 179.1 | 0 | 107.1 | D85 V89 | D85-K87 PolarHBondContact O-N 3.38Å; K87-V89 VanDerWaalsContact C-N 3.28Å; K87-V89 PolarHBondContact O-N 3.25Å | ||
| 88 | E | 43.7 | Very low | 45.2 | Very low | 166 Ų | 166 | 107.4 Ų | 107.4 | 78% | 0.776 | 57% | 0.565 | S | S | * | * | trans | -9.3 | 84 | 163 | -161.3 | 173.3 | -174.2 | 0 | 0 | 110.9 | T86 D90 | T86-E88 PolarHBondContact O-N 2.88Å; E88-D90 PolarHBondContact O-N 2.72Å | ||
| 89 | V | 44.6 | Very low | 44.4 | Very low | 59 Ų | 59 | 105.3 Ų | 105.3 | 36% | 0.358 | 58% | 0.575 | S | S | . | * | trans | -68.9 | 122.8 | 166.4 | 161.8 | 0 | 0 | 0 | 0 | 103.2 | K48 K87 I91 | K48-V89 HydrophobicContact CD-CG2 3.67Å; K48-V89 HydrophobicContact CG-CG2 4.37Å; K87-V89 VanDerWaalsContact C-N 3.28Å; K87-V89 PolarHBondContact O-N 3.25Å; V89-I91 HydrophobicContact CB-CG1 4.32Å; V89-I91 HydrophobicContact CG1-CG1 3.79Å; V89-I91 PolarHBondContact O-N 2.9Å | ||
| 90 | D | 44.9 | Very low | 44.2 | Very low | 90 Ų | 90 | 104.9 Ų | 104.9 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | trans | -64.6 | 70.4 | 172.6 | -159.1 | -4.1 | 0 | 0 | 0 | 108.8 | E88 R92 E93 | E88-D90 PolarHBondContact O-N 2.72Å; D90-R92 PolarHBondContact O-N 3.4Å; D90-R92 WeakPolarHBondContact OD1-CB 3.06Å; D90-E93 HydrophobicContact CB-CB 4.05Å; D90-E93 VanDerWaalsContact O-CB 3.3Å; D90-E93 WeakPolarHBondContact O-CB 3.31Å; D90-E93 PolarHBondContact O-N 3.43Å; D90-E93 PolarHBondContact OD1-N 2.76Å | ||
| 91 | I | 43.9 | Very low | 43.9 | Very low | 32 Ų | 32 | 108.5 Ų | 108.5 | 16% | 0.164 | 59% | 0.588 | C | S | . | * | G | 310 helix | trans | -63.2 | -22.4 | 171.8 | -55.7 | 166.2 | 0 | 0 | 0 | 108 | M69 V89 E93 H94 T95 | M69-I91 HydrophobicContact CB-CD1 3.69Å; M69-I91 HydrophobicContact CB-CG2 4.5Å; M69-I91 HydrophobicContact CE-CB 3.58Å; M69-I91 HydrophobicContact CE-CD1 4.41Å; M69-I91 HydrophobicContact CE-CG2 3.56Å; M69-I91 HydrophobicContact CG-CD1 3.74Å; M69-I91 HydrophobicContact SD-CB 4.03Å; M69-I91 HydrophobicContact SD-CD1 4.1Å; V89-I91 HydrophobicContact CB-CG1 4.32Å; V89-I91 HydrophobicContact CG1-CG1 3.79Å; V89-I91 PolarHBondContact O-N 2.9Å; I91-E93 VanDerWaalsContact C-N 3.25Å; I91-E93 PolarHBondContact O-N 3.07Å; I91-H94 CarbonylContact O-C 3.39Å; I91-H94 WeakPolarHBondContact O-CA 3.24Å; I91-H94 PolarHBondContact O-N 3.42Å; I91-T95 HydrophobicContact CG2-CG2 3.96Å; I91-T95 PolarHBondContact O-N 3.38Å; I91-T95 PolarHBondContact O-OG1 2.77Å |
| 92 | R | 40.8 | Very low | 43.7 | Very low | 194 Ų | 194 | 103 Ų | 103 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -60.6 | -32 | 170.7 | -135.7 | -171.5 | -59.5 | -142.2 | 0.6 | 112.5 | D90 H94 | D90-R92 PolarHBondContact O-N 3.4Å; D90-R92 WeakPolarHBondContact OD1-CB 3.06Å; R92-H94 PolarHBondContact O-N 3.5Å |
| 93 | E | 48.2 | Very low | 43.2 | Very low | 151 Ų | 151 | 106.6 Ų | 106.6 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -70.1 | -15.8 | 171.7 | -165.7 | 176 | -149.2 | 0 | 0 | 112.6 | D90 I91 | D90-E93 HydrophobicContact CB-CB 4.05Å; D90-E93 VanDerWaalsContact O-CB 3.3Å; D90-E93 WeakPolarHBondContact O-CB 3.31Å; D90-E93 PolarHBondContact O-N 3.43Å; D90-E93 PolarHBondContact OD1-N 2.76Å; I91-E93 VanDerWaalsContact C-N 3.25Å; I91-E93 PolarHBondContact O-N 3.07Å |
| 94 | H | 48.3 | Very low | 42.8 | Very low | 154 Ų | 154 | 110.3 Ų | 110.3 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.6 | -2.1 | -179.1 | -84.2 | 6.3 | 0 | 0 | 0 | 115.4 | I91 R92 | I91-H94 CarbonylContact O-C 3.39Å; I91-H94 WeakPolarHBondContact O-CA 3.24Å; I91-H94 PolarHBondContact O-N 3.42Å; R92-H94 PolarHBondContact O-N 3.5Å |
| 95 | T | 41.1 | Very low | 42.7 | Very low | 30 Ų | 30 | 110 Ų | 110 | 18% | 0.184 | 59% | 0.588 | C | S | . | * | trans | -123.6 | 32.1 | 178.5 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | I91 D97 | I91-T95 HydrophobicContact CG2-CG2 3.96Å; I91-T95 PolarHBondContact O-N 3.38Å; I91-T95 PolarHBondContact O-OG1 2.77Å; T95-D97 PolarHBondContact O-N 3.03Å; T95-D97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | G | 38.6 | Very low | 42.4 | Very low | 70 Ų | 70 | 108.2 Ų | 108.2 | 72% | 0.722 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 117.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 97 | D | 43.1 | Very low | 42.3 | Very low | 163 Ų | 163 | 109.6 Ų | 109.6 | 87% | 0.872 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.3 | 24.2 | 167.6 | -141.3 | 16.1 | 0 | 0 | 0 | 119.4 | T95 | T95-D97 PolarHBondContact O-N 3.03Å; T95-D97 VanDerWaalsContact O-N 3.1Å |
| 98 | C | 45.1 | Very low | 42.4 | Very low | 61 Ų | 61 | 106 Ų | 106 | 41% | 0.412 | 57% | 0.565 | S | S | . | * | trans | -101.1 | 79.7 | 165.2 | -98.2 | 0 | 0 | 0 | 0 | 112.7 | G62 K100 | G62-C98 PolarHBondContact O-SG 3.43Å; C98-K100 VanDerWaalsContact C-N 3.3Å; C98-K100 PolarHBondContact O-N 3.24Å | ||
| 99 | G | 35.8 | Very low | 42.6 | Very low | 83 Ų | 83 | 104 Ų | 104 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | trans | -77.6 | 48.8 | -178 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 100 | K | 44.7 | Very low | 42.1 | Very low | 175 Ų | 175 | 105.6 Ų | 105.6 | 76% | 0.761 | 56% | 0.558 | S | S | * | * | trans | -155.8 | 104.6 | 165.3 | -162 | 163.1 | -175.1 | 177 | 0 | 113.4 | C98 | C98-K100 VanDerWaalsContact C-N 3.3Å; C98-K100 PolarHBondContact O-N 3.24Å | ||
| 101 | P | 40.3 | Very low | 42 | Very low | 108 Ų | 108 | 108 Ų | 108 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 136.7 | 179.7 | 25.8 | -32.9 | 0 | 0 | 0 | 112.1 | E66 | E66-P101 WeakPolarHBondContact OE1-CA 3.41Š|
| 102 | F | 39.5 | Very low | 42 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 40% | 0.395 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 130.6 | 163.9 | -120 | -116.5 | 0 | 0 | 0 | 109.4 | E66 K106 | E66-F102 PolarHBondContact OE1-N 3.38Å; F102-K106 HydrophobicContact CD1-CB 4.11Å; F102-K106 HydrophobicContact CD1-CD 3.9Å; F102-K106 HydrophobicContact CD1-CG 4.06Å; F102-K106 HydrophobicContact CE1-CB 4.25Å; F102-K106 HydrophobicContact CE1-CD 3.22Å; F102-K106 HydrophobicContact CE1-CG 3.69Å; F102-K106 HydrophobicContact CZ-CD 3.92Å; F102-K106 VanDerWaalsContact CZ-NZ 3.3Å |
| 103 | T | 37.7 | Very low | 41.9 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 57% | 0.571 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 134.1 | 178.7 | 49.8 | 0 | 0 | 0 | 0 | 111 | E105 K106 | T103-E105 PolarHBondContact O-N 2.77Å; T103-K106 PolarHBondContact O-N 3.33Å |
| 104 | N | 37.8 | Very low | 41.4 | Very low | 125 Ų | 125 | 108.6 Ų | 108.6 | 67% | 0.668 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -38.8 | -35.5 | 173.7 | 57.9 | -5.9 | 0 | 0 | 0 | 115.4 | K106 L107 E108 | N104-K106 PolarHBondContact O-N 3.3Å; N104-L107 WeakPolarHBondContact O-CA 3.31Å; N104-L107 WeakPolarHBondContact O-CB 3.33Å; N104-L107 PolarHBondContact O-N 2.88Å; N104-E108 PolarHBondContact O-N 2.88Å |
| 105 | E | 44.6 | Very low | 40.9 | Very low | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.491 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -57 | -35.2 | 178.4 | -164.2 | -163.2 | 142.6 | 0 | 0 | 113.2 | T103 L107 K109 | T103-E105 PolarHBondContact O-N 2.77Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-K109 PolarHBondContact O-N 3.24Å; E105-K109 VanDerWaalsContact O-N 3.11Å; E105-K109 IonicContact OE1-NZ 2.69Å; E105-K109 PolarHBondContact OE1-NZ 3.46Å |
| 106 | K | 43.6 | Very low | 40.6 | Very low | 108 Ų | 108 | 109.8 Ų | 109.8 | 47% | 0.47 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.5 | -27.7 | 179.7 | -173.5 | 152.8 | 171.4 | -169.4 | 0 | 111.9 | F102 T103 N104 M110 | F102-K106 HydrophobicContact CD1-CB 4.11Å; F102-K106 HydrophobicContact CD1-CD 3.9Å; F102-K106 HydrophobicContact CD1-CG 4.06Å; F102-K106 HydrophobicContact CE1-CB 4.25Å; F102-K106 HydrophobicContact CE1-CD 3.22Å; F102-K106 HydrophobicContact CE1-CG 3.69Å; F102-K106 HydrophobicContact CZ-CD 3.92Å; F102-K106 VanDerWaalsContact CZ-NZ 3.3Å; T103-K106 PolarHBondContact O-N 3.33Å; N104-K106 PolarHBondContact O-N 3.3Å; K106-M110 HydrophobicContact CG-CE 3.65Å; K106-M110 VanDerWaalsContact O-CE 3.24Å; K106-M110 WeakPolarHBondContact O-CE 3.42Å; K106-M110 WeakPolarHBondContact O-CG 3.21Å; K106-M110 PolarHBondContact O-N 3.48Å |
| 107 | L | 41.4 | Very low | 40.6 | Very low | 62 Ų | 62 | 110.4 Ų | 110.4 | 33% | 0.325 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.3 | -42.9 | 174 | -119.9 | 158.3 | 0 | 0 | 0 | 110.9 | D70 N104 E105 K109 M110 M111 | D70-L107 HydrophobicContact CB-CD1 4.04Å; N104-L107 WeakPolarHBondContact O-CA 3.31Å; N104-L107 WeakPolarHBondContact O-CB 3.33Å; N104-L107 PolarHBondContact O-N 2.88Å; E105-L107 VanDerWaalsContact C-N 3.32Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 2.9Å; L107-M110 PolarHBondContact O-N 3.37Å; L107-M111 WeakPolarHBondContact O-CG 3.43Å; L107-M111 PolarHBondContact O-N 3.01Å |
| 108 | E | 43.4 | Very low | 40.7 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 50% | 0.5 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.6 | -38 | 177.1 | -157.9 | 178.4 | 171 | 0 | 0 | 112.3 | N104 M110 M111 Q112 | N104-E108 PolarHBondContact O-N 2.88Å; E108-M110 VanDerWaalsContact C-N 3.32Å; E108-M110 PolarHBondContact O-N 3.47Å; E108-M111 HydrophobicContact CB-CE 4.27Å; E108-M111 HydrophobicContact CG-CE 4.23Å; E108-M111 PolarHBondContact O-N 3.29Å; E108-Q112 WeakPolarHBondContact O-CG 3.07Å; E108-Q112 PolarHBondContact O-N 2.75Å |
| 109 | K | 46.5 | Very low | 40.8 | Very low | 125 Ų | 125 | 113 Ų | 113 | 54% | 0.543 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.2 | -31.3 | 172 | -80.3 | 171.5 | 173.2 | 161.3 | 0 | 113.7 | E105 L107 | E105-K109 PolarHBondContact O-N 3.24Å; E105-K109 VanDerWaalsContact O-N 3.11Å; E105-K109 IonicContact OE1-NZ 2.69Å; E105-K109 PolarHBondContact OE1-NZ 3.46Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 2.9Å |
| 110 | M | 35.3 | Very low | 41.7 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 45% | 0.453 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -76.2 | -35.4 | 176 | -74.5 | -174.2 | -114.2 | 0 | 0 | 111.7 | K106 L107 E108 Q112 L113 | K106-M110 HydrophobicContact CG-CE 3.65Å; K106-M110 VanDerWaalsContact O-CE 3.24Å; K106-M110 WeakPolarHBondContact O-CE 3.42Å; K106-M110 WeakPolarHBondContact O-CG 3.21Å; K106-M110 PolarHBondContact O-N 3.48Å; L107-M110 PolarHBondContact O-N 3.37Å; E108-M110 VanDerWaalsContact C-N 3.32Å; E108-M110 PolarHBondContact O-N 3.47Å; M110-Q112 PolarHBondContact O-N 3.36Å; M110-L113 PolarHBondContact O-N 2.9Å |
| 111 | M | 41.6 | Very low | 42.4 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.6 | -17.9 | 172.8 | -66.7 | -169.4 | -71.5 | 0 | 0 | 113.5 | L107 E108 | L107-M111 WeakPolarHBondContact O-CG 3.43Å; L107-M111 PolarHBondContact O-N 3.01Å; E108-M111 HydrophobicContact CB-CE 4.27Å; E108-M111 HydrophobicContact CG-CE 4.23Å; E108-M111 PolarHBondContact O-N 3.29Å |
| 112 | Q | 43.8 | Very low | 43.5 | Very low | 150 Ų | 150 | 115.8 Ų | 115.8 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 0.6 | -179.3 | -69.6 | -164.2 | -21.7 | 0 | 0 | 114.6 | E108 M110 P114 | E108-Q112 WeakPolarHBondContact O-CG 3.07Å; E108-Q112 PolarHBondContact O-N 2.75Å; M110-Q112 PolarHBondContact O-N 3.36Å; Q112-P114 WeakPolarHBondContact O-CD 3.37Å |
| 113 | L | 39.4 | Very low | 44.6 | Very low | 132 Ų | 132 | 119 Ų | 119 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -74.1 | 118.8 | 173.3 | -84.6 | 161.6 | 0 | 0 | 0 | 109 | M110 T115 | M110-L113 PolarHBondContact O-N 2.9Å; L113-T115 PolarHBondContact O-N 3.07Å |
| 114 | P | 36.8 | Very low | 46 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | trans | -65.2 | 138.3 | -176.8 | 26.6 | -32 | 0 | 0 | 0 | 109.2 | Q112 G116 | Q112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-G116 PolarHBondContact O-N 3.11Å | ||
| 115 | T | 39.5 | Very low | 47.2 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 85% | 0.853 | 65% | 0.654 | S | S | * | * | trans | -36.5 | 107.2 | 157.3 | -48.2 | 0 | 0 | 0 | 0 | 107 | L113 S117 | L113-T115 PolarHBondContact O-N 3.07Å; T115-S117 PolarHBondContact O-N 2.78Å | ||
| 116 | G | 34.3 | Very low | 48.1 | Very low | 71 Ų | 71 | 119.5 Ų | 119.5 | 73% | 0.732 | 66% | 0.664 | S | S | * | * | trans | -49 | 107.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | P114 D118 | P114-G116 PolarHBondContact O-N 3.11Å; G116-D118 PolarHBondContact O-N 2.83Å | ||
| 117 | S | 37.6 | Very low | 48.6 | Very low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 71% | 0.713 | S | S | * | * | trans | -51.2 | 127.9 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 106.7 | T115 N119 | T115-S117 PolarHBondContact O-N 2.78Å; S117-N119 PolarHBondContact O-N 3.28Å; S117-N119 PolarHBondContact O-OD1 3.42Å | ||
| 118 | D | 45.3 | Very low | 49 | Very low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 73% | 0.732 | S | S | * | * | trans | -65.3 | 89.8 | 165.6 | -127.5 | -22.2 | 0 | 0 | 0 | 106.4 | G116 | G116-D118 PolarHBondContact O-N 2.83Š| ||
| 119 | N | 48.3 | Very low | 49.3 | Very low | 118 Ų | 118 | 127 Ų | 127 | 63% | 0.631 | 75% | 0.745 | S | S | * | * | trans | -130.5 | 62.3 | 170.5 | 41.5 | 2.1 | 0 | 0 | 0 | 110.7 | S117 V121 | S117-N119 PolarHBondContact O-N 3.28Å; S117-N119 PolarHBondContact O-OD1 3.42Å; N119-V121 PolarHBondContact O-N 2.75Å | ||
| 120 | D | 53.8 | Low | 49.5 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -65.3 | 81.6 | 145.6 | -90.6 | -29.5 | 0 | 0 | 0 | 108.5 | M122 | D120-M122 HydrophobicContact CB-SD 4.04Å; D120-M122 PolarHBondContact O-N 3.47Å | ||
| 121 | V | 60.3 | Low | 50.3 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | trans | -71 | 102.9 | 158.3 | 165.4 | 0 | 0 | 0 | 0 | 106.2 | N119 E123 | N119-V121 PolarHBondContact O-N 2.75Å; V121-E123 PolarHBondContact O-N 3.39Å | ||
| 122 | M | 63.5 | Low | 50.8 | Low | 163 Ų | 163 | 128.6 Ų | 128.6 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | trans | -66.5 | 102.8 | 169 | -34.9 | -58.3 | -123.5 | 0 | 0 | 107.7 | D120 D124 | D120-M122 HydrophobicContact CB-SD 4.04Å; D120-M122 PolarHBondContact O-N 3.47Å; M122-D124 PolarHBondContact O-N 2.73Å; M122-D124 VanDerWaalsContact O-N 3.13Å | ||
| 123 | E | 62.2 | Low | 51.3 | Low | 157 Ų | 157 | 127.1 Ų | 127.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -70.8 | 96 | 166.2 | -158 | -169.1 | 146.5 | 0 | 0 | 107.6 | V121 T125 | V121-E123 PolarHBondContact O-N 3.39Å; E123-T125 VanDerWaalsContact C-N 3.26Å; E123-T125 WeakPolarHBondContact CG-OG1 3.17Å; E123-T125 PolarHBondContact O-N 2.74Å; E123-T125 VanDerWaalsContact O-N 3.16Å; E123-T125 PolarHBondContact OE1-OG1 3.2Å | ||
| 124 | D | 66.7 | Low | 52.1 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -83.4 | 80.2 | 165.7 | -168.4 | 20.8 | 0 | 0 | 0 | 108.6 | M122 | M122-D124 PolarHBondContact O-N 2.73Å; M122-D124 VanDerWaalsContact O-N 3.13Å | ||
| 125 | T | 62.5 | Low | 53.3 | Low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | trans | -89.2 | 98.5 | 166.2 | 4.5 | 0 | 0 | 0 | 0 | 108.8 | E123 | E123-T125 VanDerWaalsContact C-N 3.26Å; E123-T125 WeakPolarHBondContact CG-OG1 3.17Å; E123-T125 PolarHBondContact O-N 2.74Å; E123-T125 VanDerWaalsContact O-N 3.16Å; E123-T125 PolarHBondContact OE1-OG1 3.2Å | ||
| 126 | G | 64.6 | Low | 54.5 | Low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 120.6 | 108.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 127 | A | 54.6 | Low | 56.3 | Low | 181 Ų | 181 | 132.5 Ų | 132.5 | 100% | 1.496 | 80% | 0.799 | S | S | * | * | -173.9 | 0 | 113.5 | 0 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 127 of 127 residues in 21.2 ms
(Link to these results)