| 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 | 35.5 | Very low | 63.4 | Low | 209 Ų | 209 | 111.4 Ų | 111.4 | 100% | 1.03 | 57% | 0.566 | S | S | * | * | 0 | 95.3 | 0 | -172.5 | 179.9 | -94.6 | 0 | 0 | 106.9 | Y3 | M1-Y3 PolarHBondContact O-N 3.43Š| |||
| 2 | V | 39.8 | Very low | 64.7 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 83% | 0.83 | 58% | 0.578 | S | S | * | * | trans | -82.3 | 110.5 | 179.7 | 179 | 0 | 0 | 0 | 0 | 106.3 | L4 | V2-L4 PolarHBondContact O-N 2.86Š| ||
| 3 | Y | 54.9 | Low | 65.7 | Low | 185 Ų | 185 | 109.4 Ų | 109.4 | 73% | 0.725 | 54% | 0.541 | S | S | * | . | trans | -66.6 | 102.1 | 170.6 | -75.9 | -84.6 | 0 | 0 | 0 | 107.5 | M1 L5 | M1-Y3 PolarHBondContact O-N 3.43Å; Y3-L5 PolarHBondContact O-N 3.01Å | ||
| 4 | L | 54.6 | Low | 66.6 | Low | 154 Ų | 154 | 103.1 Ų | 103.1 | 81% | 0.806 | 51% | 0.508 | S | S | * | . | trans | -65.7 | 86.4 | 161 | -103.6 | 140.8 | 0 | 0 | 0 | 106.7 | V2 N6 | V2-L4 PolarHBondContact O-N 2.86Å; L4-N6 PolarHBondContact O-N 3.19Å | ||
| 5 | L | 62.5 | Low | 67.6 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | trans | -64.7 | 113.4 | 165.6 | -72.8 | 163.2 | 0 | 0 | 0 | 105.7 | Y3 P7 | Y3-L5 PolarHBondContact O-N 3.01Å; L5-P7 WeakPolarHBondContact O-CD 3.49Å | ||
| 6 | N | 75.3 | Confident | 68.4 | Low | 76 Ų | 76 | 101.5 Ų | 101.5 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | trans | -90.2 | 84.2 | 161.9 | -92.9 | -8.1 | 0 | 0 | 0 | 107.1 | L4 I8 E9 N10 | L4-N6 PolarHBondContact O-N 3.19Å; N6-I8 PolarHBondContact O-N 2.91Å; N6-I8 VanDerWaalsContact O-N 3.14Å; N6-E9 HydrophobicContact CB-CB 4.08Å; N6-E9 HydrophobicContact CB-CG 4.28Å; N6-E9 WeakPolarHBondContact CB-OE2 3.25Å; N6-E9 PolarHBondContact ND2-OE2 3.26Å; N6-E9 PolarHBondContact O-N 2.9Å; N6-E9 VanDerWaalsContact O-N 3.15Å; N6-N10 WeakPolarHBondContact O-CB 2.92Å; N6-N10 PolarHBondContact O-N 3.47Å | ||
| 7 | P | 73.3 | Confident | 69.1 | Low | 60 Ų | 60 | 101.5 Ų | 101.5 | 39% | 0.39 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.6 | -33.4 | -171.8 | 24.1 | -36 | 0 | 0 | 0 | 112.1 | L5 L11 V291 | L5-P7 WeakPolarHBondContact O-CD 3.49Å; P7-L11 WeakPolarHBondContact O-CB 3.4Å; P7-L11 PolarHBondContact O-N 3.22Å; P7-V291 HydrophobicContact CB-CG1 3.84Å |
| 8 | I | 74.5 | Confident | 69.8 | Low | 140 Ų | 140 | 104.6 Ų | 104.6 | 72% | 0.718 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.5 | -43.8 | -179.2 | -60.5 | 174.4 | 0 | 0 | 0 | 111.1 | N6 R12 | N6-I8 PolarHBondContact O-N 2.91Å; N6-I8 VanDerWaalsContact O-N 3.14Å; I8-R12 VanDerWaalsContact O-CB 3.28Å; I8-R12 WeakPolarHBondContact O-CB 3.5Å; I8-R12 PolarHBondContact O-N 3Å |
| 9 | E | 76.1 | Confident | 70.4 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72 | -37.4 | 179.2 | -68.4 | 179.5 | 157.5 | 0 | 0 | 111.8 | N6 R12 G13 | N6-E9 HydrophobicContact CB-CB 4.08Å; N6-E9 HydrophobicContact CB-CG 4.28Å; N6-E9 WeakPolarHBondContact CB-OE2 3.25Å; N6-E9 PolarHBondContact ND2-OE2 3.26Å; N6-E9 PolarHBondContact O-N 2.9Å; N6-E9 VanDerWaalsContact O-N 3.15Å; E9-R12 PolarHBondContact O-N 3.29Å; E9-G13 PolarHBondContact O-N 3.47Å |
| 10 | N | 75.9 | Confident | 71 | Confident | 16 Ų | 16 | 102.8 Ų | 102.8 | 9% | 0.086 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 175.3 | -69.9 | -1.7 | 0 | 0 | 0 | 111.2 | N6 G13 Y14 V291 G294 | N6-N10 WeakPolarHBondContact O-CB 2.92Å; N6-N10 PolarHBondContact O-N 3.47Å; N10-G13 PolarHBondContact O-N 2.88Å; N10-Y14 WeakPolarHBondContact O-CB 3.49Å; N10-Y14 PolarHBondContact O-N 3.45Å; N10-V291 WeakPolarHBondContact CB-O 3.38Å; N10-V291 PolarHBondContact ND2-O 2.98Å; N10-G294 VanDerWaalsContact CA-O 3.28Å; N10-G294 WeakPolarHBondContact CA-O 3.26Å; N10-G294 WeakPolarHBondContact CB-O 3.25Å; N10-G294 WeakPolarHBondContact O-CA 3.37Å; N10-G294 PolarHBondContact OD1-O 3.38Å |
| 11 | L | 75.3 | Confident | 71.6 | Confident | 48 Ų | 48 | 100.2 Ų | 100.2 | 25% | 0.251 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 175.7 | -176 | 66.3 | 0 | 0 | 0 | 111.1 | P7 G13 Y14 I15 F287 A290 | P7-L11 WeakPolarHBondContact O-CB 3.4Å; P7-L11 PolarHBondContact O-N 3.22Å; L11-G13 PolarHBondContact O-N 2.84Å; L11-Y14 WeakPolarHBondContact O-CB 3.21Å; L11-Y14 PolarHBondContact O-N 3.37Å; L11-I15 HydrophobicContact CD1-CD1 4.35Å; L11-I15 HydrophobicContact CG-CD1 3.93Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å; L11-F287 HydrophobicContact CD1-CD2 4.26Å; L11-F287 HydrophobicContact CD1-CE2 3.87Å; L11-F287 HydrophobicContact CD2-CE2 3.91Å; L11-F287 HydrophobicContact CD2-CZ 4.28Å; L11-A290 HydrophobicContact CD1-CB 4.08Å |
| 12 | R | 79 | Confident | 73.9 | Confident | 188 Ų | 188 | 91.8 Ų | 91.8 | 71% | 0.709 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 175.4 | -173.1 | -178.6 | -178.5 | -166.5 | 1.3 | 111.5 | I8 E9 Y14 I15 T16 | I8-R12 VanDerWaalsContact O-CB 3.28Å; I8-R12 WeakPolarHBondContact O-CB 3.5Å; I8-R12 PolarHBondContact O-N 3Å; E9-R12 PolarHBondContact O-N 3.29Å; R12-Y14 VanDerWaalsContact C-N 3.31Å; R12-Y14 PolarHBondContact O-N 2.99Å; R12-I15 PolarHBondContact O-N 3.11Å; R12-T16 PolarHBondContact O-N 2.93Å; R12-T16 VanDerWaalsContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 2.9Å |
| 13 | G | 77.3 | Confident | 76.2 | Confident | 9 Ų | 9 | 90.7 Ų | 90.7 | 9% | 0.093 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E9 N10 L11 N17 | E9-G13 PolarHBondContact O-N 3.47Å; N10-G13 PolarHBondContact O-N 2.88Å; L11-G13 PolarHBondContact O-N 2.84Å; G13-N17 VanDerWaalsContact O-CB 3.24Å; G13-N17 WeakPolarHBondContact O-CB 3.31Å; G13-N17 PolarHBondContact O-N 3.06Å; G13-N17 VanDerWaalsContact O-N 3.17Å; G13-N17 PolarHBondContact O-ND2 3.01Å |
| 14 | Y | 78.3 | Confident | 77.7 | Confident | 21 Ų | 21 | 86.8 Ų | 86.8 | 8% | 0.082 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 175.8 | -171.5 | -95.9 | 0 | 0 | 0 | 112.2 | N10 L11 R12 T16 N17 R18 L21 Y289 A290 | N10-Y14 WeakPolarHBondContact O-CB 3.49Å; N10-Y14 PolarHBondContact O-N 3.45Å; L11-Y14 WeakPolarHBondContact O-CB 3.21Å; L11-Y14 PolarHBondContact O-N 3.37Å; R12-Y14 VanDerWaalsContact C-N 3.31Å; R12-Y14 PolarHBondContact O-N 2.99Å; Y14-T16 PolarHBondContact O-N 2.92Å; Y14-N17 PolarHBondContact O-N 3.01Å; Y14-R18 PolarHBondContact O-N 3.13Å; Y14-L21 HydrophobicContact CE1-CD2 4Å; Y14-L21 WeakPolarHBondContact OH-CD1 3.33Å; Y14-L21 WeakPolarHBondContact OH-CD2 3.48Å; Y14-Y289 AromaticContact CE2-CD1 3.95Å; Y14-Y289 HydrophobicContact CE2-CD1 3.95Å; Y14-Y289 AromaticContact CE2-CE1 3.98Å; Y14-Y289 HydrophobicContact CE2-CE1 3.98Å; Y14-A290 HydrophobicContact CD1-CB 3.38Å; Y14-A290 HydrophobicContact CD2-CB 3.95Å; Y14-A290 HydrophobicContact CE1-CB 3.59Å; Y14-A290 HydrophobicContact CE2-CB 4.13Å; Y14-A290 HydrophobicContact CG-CB 3.55Å |
| 15 | I | 81.5 | Confident | 79.2 | Confident | 81 Ų | 81 | 80.7 Ų | 80.7 | 42% | 0.415 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 179.8 | -69.6 | 165.6 | 0 | 0 | 0 | 110.9 | L11 R12 V22 | L11-I15 HydrophobicContact CD1-CD1 4.35Å; L11-I15 HydrophobicContact CG-CD1 3.93Å; L11-I15 VanDerWaalsContact O-CG1 3.26Å; L11-I15 WeakPolarHBondContact O-CG1 3.33Å; L11-I15 PolarHBondContact O-N 3.41Å; R12-I15 PolarHBondContact O-N 3.11Å; I15-V22 HydrophobicContact CB-CG2 4.24Å; I15-V22 HydrophobicContact CG1-CG2 4.19Å; I15-V22 HydrophobicContact CG2-CG2 4.22Å |
| 16 | T | 80.5 | Confident | 80.5 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 61% | 0.613 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.2 | -34 | -177.7 | -50.8 | 0 | 0 | 0 | 0 | 112.7 | R12 Y14 | R12-T16 PolarHBondContact O-N 2.93Å; R12-T16 VanDerWaalsContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 2.9Å; Y14-T16 PolarHBondContact O-N 2.92Å |
| 17 | N | 80.3 | Confident | 81.2 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -90.7 | -15.7 | -173.3 | -68.7 | -40.5 | 0 | 0 | 0 | 114.1 | G13 Y14 P19 | G13-N17 VanDerWaalsContact O-CB 3.24Å; G13-N17 WeakPolarHBondContact O-CB 3.31Å; G13-N17 PolarHBondContact O-N 3.06Å; G13-N17 VanDerWaalsContact O-N 3.17Å; G13-N17 PolarHBondContact O-ND2 3.01Å; Y14-N17 PolarHBondContact O-N 3.01Å; N17-P19 VanDerWaalsContact C-CD 3.44Å |
| 18 | R | 82.7 | Confident | 81.9 | Confident | 157 Ų | 157 | 78.4 Ų | 78.4 | 59% | 0.592 | 40% | 0.4 | S | S | * | . | trans | -132.5 | 58 | -175.8 | -59.7 | -67.9 | -175.2 | 171.3 | -0.2 | 112.9 | Y14 P20 L21 V22 | Y14-R18 PolarHBondContact O-N 3.13Å; R18-P20 VanDerWaalsContact C-CD 3.49Å; R18-L21 HydrophobicContact CB-CB 4.22Å; R18-L21 PolarHBondContact O-N 3.14Å; R18-L21 VanDerWaalsContact O-N 3.08Å; R18-V22 PolarHBondContact O-N 2.8Å | ||
| 19 | P | 79.9 | Confident | 82.4 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -53.2 | -42.2 | -175.9 | 7.4 | -15 | 0 | 0 | 0 | 115.4 | N17 L21 V22 I23 | N17-P19 VanDerWaalsContact C-CD 3.44Å; P19-L21 VanDerWaalsContact C-N 3.28Å; P19-L21 PolarHBondContact O-N 3.15Å; P19-V22 PolarHBondContact O-N 3.48Å; P19-I23 WeakPolarHBondContact O-CG1 3.37Å; P19-I23 PolarHBondContact O-N 3.34Å |
| 20 | P | 83.8 | Confident | 83.1 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.7 | -34.4 | 178.8 | -24.7 | 34.3 | 0 | 0 | 0 | 113.8 | R18 F24 | R18-P20 VanDerWaalsContact C-CD 3.49Å; P20-F24 PolarHBondContact O-N 3.34Å; P20-F24 VanDerWaalsContact O-N 3.13Å |
| 21 | L | 81.8 | Confident | 83.7 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.9 | -33.9 | -177.8 | -154.1 | 160.6 | 0 | 0 | 0 | 110.6 | Y14 R18 P19 F24 M25 M286 | Y14-L21 HydrophobicContact CE1-CD2 4Å; Y14-L21 WeakPolarHBondContact OH-CD1 3.33Å; Y14-L21 WeakPolarHBondContact OH-CD2 3.48Å; R18-L21 HydrophobicContact CB-CB 4.22Å; R18-L21 PolarHBondContact O-N 3.14Å; R18-L21 VanDerWaalsContact O-N 3.08Å; P19-L21 VanDerWaalsContact C-N 3.28Å; P19-L21 PolarHBondContact O-N 3.15Å; L21-F24 PolarHBondContact O-N 3.01Å; L21-M25 HydrophobicContact CD2-CG 3.88Å; L21-M25 WeakPolarHBondContact O-CG 3.5Å; L21-M25 PolarHBondContact O-N 3.09Å; L21-M286 HydrophobicContact CD2-SD 3.92Å |
| 22 | V | 84.6 | Confident | 84.3 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 172.9 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | I15 R18 P19 F24 M25 I26 | I15-V22 HydrophobicContact CB-CG2 4.24Å; I15-V22 HydrophobicContact CG1-CG2 4.19Å; I15-V22 HydrophobicContact CG2-CG2 4.22Å; R18-V22 PolarHBondContact O-N 2.8Å; P19-V22 PolarHBondContact O-N 3.48Å; V22-F24 VanDerWaalsContact C-N 3.34Å; V22-F24 PolarHBondContact O-N 3.4Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.01Å; V22-I26 HydrophobicContact CG1-CD1 4.01Å; V22-I26 WeakPolarHBondContact O-CG1 3.1Å; V22-I26 PolarHBondContact O-N 3.23Å |
| 23 | I | 87.8 | Confident | 84.7 | Confident | 115 Ų | 115 | 67 Ų | 67 | 59% | 0.59 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 177.9 | -63.6 | 168.5 | 0 | 0 | 0 | 110.5 | P19 M25 I26 S27 | P19-I23 WeakPolarHBondContact O-CG1 3.37Å; P19-I23 PolarHBondContact O-N 3.34Å; I23-M25 VanDerWaalsContact C-N 3.31Å; I23-M25 PolarHBondContact O-N 2.88Å; I23-I26 PolarHBondContact O-N 3.05Å; I23-S27 PolarHBondContact O-N 3.46Å; I23-S27 PolarHBondContact O-OG 2.82Å |
| 24 | F | 87.6 | Confident | 85.2 | Confident | 102 Ų | 102 | 68.4 Ų | 68.4 | 45% | 0.447 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.5 | 178.7 | -101.2 | 0 | 0 | 0 | 112.5 | P20 L21 V22 S27 V28 | P20-F24 PolarHBondContact O-N 3.34Å; P20-F24 VanDerWaalsContact O-N 3.13Å; L21-F24 PolarHBondContact O-N 3.01Å; V22-F24 VanDerWaalsContact C-N 3.34Å; V22-F24 PolarHBondContact O-N 3.4Å; F24-S27 WeakPolarHBondContact CA-OG 3.48Å; F24-S27 PolarHBondContact O-N 3.25Å; F24-S27 PolarHBondContact O-OG 2.95Å; F24-V28 HydrophobicContact CD1-CG2 4.28Å; F24-V28 HydrophobicContact CD2-CG2 4.18Å; F24-V28 HydrophobicContact CE1-CG2 3.9Å; F24-V28 HydrophobicContact CE2-CG2 3.79Å; F24-V28 HydrophobicContact CG-CG2 4.41Å; F24-V28 HydrophobicContact CZ-CG2 3.64Å; F24-V28 WeakPolarHBondContact O-CB 3.41Å; F24-V28 VanDerWaalsContact O-CG2 3.24Å; F24-V28 WeakPolarHBondContact O-CG2 3.3Å; F24-V28 PolarHBondContact O-N 3.45Å |
| 25 | M | 86 | Confident | 85.4 | Confident | 27 Ų | 27 | 70.8 Ų | 70.8 | 13% | 0.133 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 177.4 | -74.8 | -65.8 | -74.3 | 0 | 0 | 112.8 | L21 V22 I23 S29 V283 M286 | L21-M25 HydrophobicContact CD2-CG 3.88Å; L21-M25 WeakPolarHBondContact O-CG 3.5Å; L21-M25 PolarHBondContact O-N 3.09Å; V22-M25 WeakPolarHBondContact O-CB 3.45Å; V22-M25 PolarHBondContact O-N 3.01Å; I23-M25 VanDerWaalsContact C-N 3.31Å; I23-M25 PolarHBondContact O-N 2.88Å; M25-S29 WeakPolarHBondContact O-CB 3.46Å; M25-S29 PolarHBondContact O-N 3.48Å; M25-S29 PolarHBondContact O-OG 3.32Å; M25-V283 HydrophobicContact CE-CB 4.28Å; M25-V283 HydrophobicContact CE-CG1 3.81Å; M25-V283 VanDerWaalsContact CE-O 3.26Å; M25-V283 WeakPolarHBondContact CE-O 3.41Å; M25-M286 HydrophobicContact CE-CB 3.39Å; M25-M286 HydrophobicContact CE-CG 4.47Å; M25-M286 HydrophobicContact CG-CB 4.46Å; M25-M286 HydrophobicContact SD-CB 3.2Å; M25-M286 WeakPolarHBondContact SD-CB 2.97Å; M25-M286 HydrophobicContact SD-CG 3.69Å |
| 26 | I | 88.4 | Confident | 85.5 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 56% | 0.564 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.1 | -43.7 | 177.8 | -67 | 168.2 | 0 | 0 | 0 | 110.3 | V22 I23 S29 A30 | V22-I26 HydrophobicContact CG1-CD1 4.01Å; V22-I26 WeakPolarHBondContact O-CG1 3.1Å; V22-I26 PolarHBondContact O-N 3.23Å; I23-I26 PolarHBondContact O-N 3.05Å; I26-S29 PolarHBondContact O-N 3.01Å; I26-A30 PolarHBondContact O-N 3.45Å |
| 27 | S | 89.9 | Confident | 85.6 | Confident | 56 Ų | 56 | 69.9 Ų | 69.9 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | -179.6 | 64 | 0 | 0 | 0 | 0 | 112.3 | I23 F24 S29 A30 V31 | I23-S27 PolarHBondContact O-N 3.46Å; I23-S27 PolarHBondContact O-OG 2.82Å; F24-S27 WeakPolarHBondContact CA-OG 3.48Å; F24-S27 PolarHBondContact O-N 3.25Å; F24-S27 PolarHBondContact O-OG 2.95Å; S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 3.05Å; S27-A30 PolarHBondContact O-N 2.96Å; S27-V31 WeakPolarHBondContact O-CG2 3.28Å; S27-V31 PolarHBondContact O-N 3.39Å |
| 28 | V | 88.3 | Confident | 85.7 | Confident | 17 Ų | 17 | 68.6 Ų | 68.6 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.5 | -40 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | F24 V31 A32 L279 V283 | F24-V28 HydrophobicContact CD1-CG2 4.28Å; F24-V28 HydrophobicContact CD2-CG2 4.18Å; F24-V28 HydrophobicContact CE1-CG2 3.9Å; F24-V28 HydrophobicContact CE2-CG2 3.79Å; F24-V28 HydrophobicContact CG-CG2 4.41Å; F24-V28 HydrophobicContact CZ-CG2 3.64Å; F24-V28 WeakPolarHBondContact O-CB 3.41Å; F24-V28 VanDerWaalsContact O-CG2 3.24Å; F24-V28 WeakPolarHBondContact O-CG2 3.3Å; F24-V28 PolarHBondContact O-N 3.45Å; V28-V31 PolarHBondContact O-N 3.48Å; V28-A32 WeakPolarHBondContact O-CB 3.26Å; V28-A32 PolarHBondContact O-N 2.93Å; V28-L279 HydrophobicContact CG1-CB 4.24Å; V28-L279 HydrophobicContact CG1-CD2 4.06Å; V28-V283 HydrophobicContact CB-CG2 4.27Å; V28-V283 HydrophobicContact CG1-CG2 3.64Å |
| 29 | S | 86.6 | Confident | 85.4 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 25% | 0.245 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176 | -58 | 0 | 0 | 0 | 0 | 111.9 | M25 I26 S27 A32 I33 | M25-S29 WeakPolarHBondContact O-CB 3.46Å; M25-S29 PolarHBondContact O-N 3.48Å; M25-S29 PolarHBondContact O-OG 3.32Å; I26-S29 PolarHBondContact O-N 3.01Å; S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 3.05Å; S29-A32 PolarHBondContact O-N 3.43Å; S29-I33 VanDerWaalsContact O-CG1 3.29Å; S29-I33 WeakPolarHBondContact O-CG1 3.2Å; S29-I33 PolarHBondContact O-N 3.19Å |
| 30 | A | 90.2 | Very high | 85.3 | Confident | 56 Ų | 56 | 65.4 Ų | 65.4 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I26 S27 I33 A34 | I26-A30 PolarHBondContact O-N 3.45Å; S27-A30 PolarHBondContact O-N 2.96Å; A30-I33 PolarHBondContact O-N 3.47Å; A30-A34 WeakPolarHBondContact O-CB 3.1Å; A30-A34 PolarHBondContact O-N 3.34Å |
| 31 | V | 88.9 | Confident | 84.9 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 39% | 0.394 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | S27 V28 I33 A34 F35 L279 | S27-V31 WeakPolarHBondContact O-CG2 3.28Å; S27-V31 PolarHBondContact O-N 3.39Å; V28-V31 PolarHBondContact O-N 3.48Å; V31-I33 VanDerWaalsContact C-N 3.35Å; V31-I33 PolarHBondContact O-N 2.9Å; V31-A34 PolarHBondContact O-N 2.87Å; V31-F35 HydrophobicContact CG1-CD2 4.03Å; V31-F35 HydrophobicContact CG1-CE1 4.22Å; V31-F35 HydrophobicContact CG1-CE2 3.6Å; V31-F35 HydrophobicContact CG1-CZ 3.71Å; V31-F35 WeakPolarHBondContact O-CG 3.26Å; V31-F35 PolarHBondContact O-N 2.8Å; V31-L279 HydrophobicContact CG1-CD1 3.89Å |
| 32 | A | 86.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V28 S29 F35 L36 L279 F280 | V28-A32 WeakPolarHBondContact O-CB 3.26Å; V28-A32 PolarHBondContact O-N 2.93Å; S29-A32 PolarHBondContact O-N 3.43Å; A32-F35 PolarHBondContact O-N 2.89Å; A32-L36 PolarHBondContact O-N 3.16Å; A32-L279 HydrophobicContact CB-CB 3.87Å; A32-L279 HydrophobicContact CB-CD1 4.26Å; A32-F280 HydrophobicContact CB-CD2 4.23Å; A32-F280 HydrophobicContact CB-CE2 3.84Å; A32-F280 HydrophobicContact CB-CZ 4.14Å |
| 33 | I | 87.8 | Confident | 83.5 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 175.7 | -66.6 | 165 | 0 | 0 | 0 | 110.5 | S29 A30 V31 F35 L36 T37 | S29-I33 VanDerWaalsContact O-CG1 3.29Å; S29-I33 WeakPolarHBondContact O-CG1 3.2Å; S29-I33 PolarHBondContact O-N 3.19Å; A30-I33 PolarHBondContact O-N 3.47Å; V31-I33 VanDerWaalsContact C-N 3.35Å; V31-I33 PolarHBondContact O-N 2.9Å; I33-F35 VanDerWaalsContact C-N 3.33Å; I33-F35 PolarHBondContact O-N 2.94Å; I33-L36 PolarHBondContact O-N 2.99Å; I33-T37 HydrophobicContact CG2-CG2 4.29Å; I33-T37 WeakPolarHBondContact O-CG2 3.33Å; I33-T37 PolarHBondContact O-N 2.87Å; I33-T37 PolarHBondContact O-OG1 3.44Å |
| 34 | A | 87.3 | Confident | 82.4 | Confident | 40 Ų | 40 | 71 Ų | 71 | 33% | 0.331 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.2 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A30 V31 T37 I38 | A30-A34 WeakPolarHBondContact O-CB 3.1Å; A30-A34 PolarHBondContact O-N 3.34Å; V31-A34 PolarHBondContact O-N 2.87Å; A34-T37 WeakPolarHBondContact CA-OG1 3.17Å; A34-T37 PolarHBondContact O-N 2.85Å; A34-T37 PolarHBondContact O-OG1 2.95Å; A34-I38 VanDerWaalsContact O-CB 3.3Å; A34-I38 WeakPolarHBondContact O-CB 3.42Å; A34-I38 WeakPolarHBondContact O-CD1 3.49Å; A34-I38 WeakPolarHBondContact O-CG1 3.37Å; A34-I38 PolarHBondContact O-N 3.3Å |
| 35 | F | 84 | Confident | 80.9 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 31% | 0.311 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 176.3 | -69.7 | -11.8 | 0 | 0 | 0 | 112.7 | V31 A32 I33 G39 L272 L279 | V31-F35 HydrophobicContact CG1-CD2 4.03Å; V31-F35 HydrophobicContact CG1-CE1 4.22Å; V31-F35 HydrophobicContact CG1-CE2 3.6Å; V31-F35 HydrophobicContact CG1-CZ 3.71Å; V31-F35 WeakPolarHBondContact O-CG 3.26Å; V31-F35 PolarHBondContact O-N 2.8Å; A32-F35 PolarHBondContact O-N 2.89Å; I33-F35 VanDerWaalsContact C-N 3.33Å; I33-F35 PolarHBondContact O-N 2.94Å; F35-G39 PolarHBondContact O-N 3.06Å; F35-L272 HydrophobicContact CB-CD2 3.88Å; F35-L272 HydrophobicContact CD1-CD2 4.19Å; F35-L272 HydrophobicContact CG-CD2 4.1Å; F35-L279 HydrophobicContact CD2-CD1 3.96Å; F35-L279 HydrophobicContact CE2-CD1 4.1Å |
| 36 | L | 82.3 | Confident | 79.3 | Confident | 81 Ų | 81 | 78 Ų | 78 | 42% | 0.424 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 173.2 | -77 | -175.6 | 0 | 0 | 0 | 112.7 | A32 I33 I38 G39 Y40 F280 | A32-L36 PolarHBondContact O-N 3.16Å; I33-L36 PolarHBondContact O-N 2.99Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-G39 PolarHBondContact O-N 2.86Å; L36-Y40 VanDerWaalsContact O-CB 3.25Å; L36-Y40 WeakPolarHBondContact O-CB 3.35Å; L36-Y40 PolarHBondContact O-N 2.78Å; L36-F280 HydrophobicContact CD1-CD2 4.41Å; L36-F280 HydrophobicContact CD1-CE2 3.31Å; L36-F280 HydrophobicContact CD1-CZ 3.63Å; L36-F280 HydrophobicContact CG-CE2 3.93Å |
| 37 | T | 83.2 | Confident | 77.6 | Confident | 80 Ų | 80 | 75.5 Ų | 75.5 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | I33 A34 Y40 F41 | I33-T37 HydrophobicContact CG2-CG2 4.29Å; I33-T37 WeakPolarHBondContact O-CG2 3.33Å; I33-T37 PolarHBondContact O-N 2.87Å; I33-T37 PolarHBondContact O-OG1 3.44Å; A34-T37 WeakPolarHBondContact CA-OG1 3.17Å; A34-T37 PolarHBondContact O-N 2.85Å; A34-T37 PolarHBondContact O-OG1 2.95Å; T37-Y40 PolarHBondContact O-N 2.87Å; T37-F41 VanDerWaalsContact O-CB 3.22Å; T37-F41 WeakPolarHBondContact O-CB 3.45Å; T37-F41 PolarHBondContact O-N 2.81Å |
| 38 | I | 81.8 | Confident | 75.4 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 173.2 | -69.6 | 167.7 | 0 | 0 | 0 | 110.6 | A34 L36 Y40 F41 F42 L272 | A34-I38 VanDerWaalsContact O-CB 3.3Å; A34-I38 WeakPolarHBondContact O-CB 3.42Å; A34-I38 WeakPolarHBondContact O-CD1 3.49Å; A34-I38 WeakPolarHBondContact O-CG1 3.37Å; A34-I38 PolarHBondContact O-N 3.3Å; L36-I38 VanDerWaalsContact C-N 3.35Å; I38-Y40 PolarHBondContact O-N 3.45Å; I38-F41 WeakPolarHBondContact O-CB 3.41Å; I38-F41 PolarHBondContact O-N 3.49Å; I38-F42 HydrophobicContact CG2-CD2 3.59Å; I38-F42 HydrophobicContact CG2-CE2 3.38Å; I38-F42 WeakPolarHBondContact O-CD2 3.24Å; I38-F42 PolarHBondContact O-N 2.96Å; I38-L272 HydrophobicContact CG2-CD1 4.19Å; I38-L272 HydrophobicContact CG2-CD2 4.38Å |
| 39 | G | 77.6 | Confident | 73.1 | Confident | 6 Ų | 6 | 80.4 Ų | 80.4 | 6% | 0.062 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F35 L36 F42 K43 | F35-G39 PolarHBondContact O-N 3.06Å; L36-G39 PolarHBondContact O-N 2.86Å; G39-F42 PolarHBondContact O-N 3.4Å; G39-K43 WeakPolarHBondContact O-CB 3.26Å; G39-K43 PolarHBondContact O-N 2.89Å |
| 40 | Y | 77.5 | Confident | 71.1 | Confident | 157 Ų | 157 | 85.3 Ų | 85.3 | 62% | 0.616 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 174.8 | -175.4 | -106 | 0 | 0 | 0 | 112.1 | L36 T37 I38 K43 I44 | L36-Y40 VanDerWaalsContact O-CB 3.25Å; L36-Y40 WeakPolarHBondContact O-CB 3.35Å; L36-Y40 PolarHBondContact O-N 2.78Å; T37-Y40 PolarHBondContact O-N 2.87Å; I38-Y40 PolarHBondContact O-N 3.45Å; Y40-K43 WeakPolarHBondContact O-CB 3.13Å; Y40-K43 PolarHBondContact O-N 3.03Å; Y40-K43 VanDerWaalsContact O-N 3.17Å; Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CD2-CD1 3.94Å; Y40-I44 HydrophobicContact CE1-CD1 3.22Å; Y40-I44 HydrophobicContact CE2-CD1 3.36Å; Y40-I44 HydrophobicContact CE2-CG1 4.4Å; Y40-I44 HydrophobicContact CG-CD1 4.15Å; Y40-I44 PolarHBondContact O-N 2.74Å; Y40-I44 WeakPolarHBondContact OH-CD1 3.28Å |
| 41 | F | 75.6 | Confident | 68.9 | Low | 95 Ų | 95 | 91.4 Ų | 91.4 | 42% | 0.417 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.4 | -179.5 | -100.5 | 0 | 0 | 0 | 111.5 | T37 I38 K43 I44 K45 I47 | T37-F41 VanDerWaalsContact O-CB 3.22Å; T37-F41 WeakPolarHBondContact O-CB 3.45Å; T37-F41 PolarHBondContact O-N 2.81Å; I38-F41 WeakPolarHBondContact O-CB 3.41Å; I38-F41 PolarHBondContact O-N 3.49Å; F41-K43 PolarHBondContact O-N 3.17Å; F41-I44 PolarHBondContact O-N 2.97Å; F41-K45 HydrophobicContact CD2-CD 4.22Å; F41-K45 HydrophobicContact CD2-CG 4.21Å; F41-K45 HydrophobicContact CE2-CD 3.47Å; F41-K45 VanDerWaalsContact CE2-CD 3.47Å; F41-K45 HydrophobicContact CE2-CG 3.95Å; F41-K45 HydrophobicContact CZ-CD 3.76Å; F41-K45 HydrophobicContact CZ-CG 4.37Å; F41-K45 PolarHBondContact O-N 2.95Å; F41-I47 HydrophobicContact CD1-CD1 3.6Å; F41-I47 HydrophobicContact CE1-CD1 3.3Å; F41-I47 HydrophobicContact CE1-CG1 3.98Å; F41-I47 HydrophobicContact CZ-CD1 4.34Å |
| 42 | F | 70 | Confident | 66.9 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 32% | 0.316 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.8 | -27.8 | 173.4 | -79.9 | -67.8 | 0 | 0 | 0 | 113.1 | I38 G39 I47 R265 L272 | I38-F42 HydrophobicContact CG2-CD2 3.59Å; I38-F42 HydrophobicContact CG2-CE2 3.38Å; I38-F42 WeakPolarHBondContact O-CD2 3.24Å; I38-F42 PolarHBondContact O-N 2.96Å; G39-F42 PolarHBondContact O-N 3.4Å; F42-I47 HydrophobicContact CD1-CD1 3.37Å; F42-I47 HydrophobicContact CE1-CD1 3.39Å; F42-I47 HydrophobicContact CG-CD1 4.2Å; F42-I47 HydrophobicContact CZ-CD1 4.25Å; F42-R265 VanDerWaalsContact O-CZ 3.27Å; F42-R265 PolarHBondContact O-NE 2.77Å; F42-R265 PolarHBondContact O-NH2 2.89Å; F42-L272 HydrophobicContact CD2-CD1 4.18Å |
| 43 | K | 66 | Low | 65.5 | Low | 144 Ų | 144 | 95.3 Ų | 95.3 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -76.6 | -32.5 | 177.1 | -169.1 | 178.1 | 179.3 | -178.4 | 0 | 113.2 | G39 Y40 F41 R265 | G39-K43 WeakPolarHBondContact O-CB 3.26Å; G39-K43 PolarHBondContact O-N 2.89Å; Y40-K43 WeakPolarHBondContact O-CB 3.13Å; Y40-K43 PolarHBondContact O-N 3.03Å; Y40-K43 VanDerWaalsContact O-N 3.17Å; F41-K43 PolarHBondContact O-N 3.17Å; K43-R265 VanDerWaalsContact C-NH2 3.33Å; K43-R265 PolarHBondContact O-NH2 3.14Å |
| 44 | I | 65.1 | Low | 64.5 | Low | 101 Ų | 101 | 94 Ų | 94 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -101 | -37.3 | -173.6 | -71.8 | 172.5 | 0 | 0 | 0 | 113.1 | Y40 F41 | Y40-I44 HydrophobicContact CD1-CD1 3.81Å; Y40-I44 HydrophobicContact CD2-CD1 3.94Å; Y40-I44 HydrophobicContact CE1-CD1 3.22Å; Y40-I44 HydrophobicContact CE2-CD1 3.36Å; Y40-I44 HydrophobicContact CE2-CG1 4.4Å; Y40-I44 HydrophobicContact CG-CD1 4.15Å; Y40-I44 PolarHBondContact O-N 2.74Å; Y40-I44 WeakPolarHBondContact OH-CD1 3.28Å; F41-I44 PolarHBondContact O-N 2.97Å |
| 45 | K | 56.1 | Low | 64.1 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 52% | 0.522 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -90 | 119 | 172.7 | -66.4 | -148.7 | -178.4 | -173.7 | 0 | 108.2 | F41 I47 | F41-K45 HydrophobicContact CD2-CD 4.22Å; F41-K45 HydrophobicContact CD2-CG 4.21Å; F41-K45 HydrophobicContact CE2-CD 3.47Å; F41-K45 VanDerWaalsContact CE2-CD 3.47Å; F41-K45 HydrophobicContact CE2-CG 3.95Å; F41-K45 HydrophobicContact CZ-CD 3.76Å; F41-K45 HydrophobicContact CZ-CG 4.37Å; F41-K45 PolarHBondContact O-N 2.95Å; K45-I47 HydrophobicContact CB-CG1 3.98Å; K45-I47 PolarHBondContact O-N 2.7Å |
| 46 | E | 52.5 | Low | 64.1 | Low | 156 Ų | 156 | 89.6 Ų | 89.6 | 73% | 0.729 | 44% | 0.443 | S | S | * | . | trans | -62.4 | 92.2 | 154.7 | -74.4 | 176.9 | 175.3 | 0 | 0 | 106.8 | K48 | E46-K48 PolarHBondContact O-N 3.19Å; E46-K48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | I | 52.4 | Low | 64.3 | Low | 59 Ų | 59 | 85.8 Ų | 85.8 | 30% | 0.303 | 42% | 0.423 | S | S | . | . | trans | -78.2 | 103.2 | 174.9 | -61.1 | 168.4 | 0 | 0 | 0 | 105.5 | F41 F42 K45 S49 | F41-I47 HydrophobicContact CD1-CD1 3.6Å; F41-I47 HydrophobicContact CE1-CD1 3.3Å; F41-I47 HydrophobicContact CE1-CG1 3.98Å; F41-I47 HydrophobicContact CZ-CD1 4.34Å; F42-I47 HydrophobicContact CD1-CD1 3.37Å; F42-I47 HydrophobicContact CE1-CD1 3.39Å; F42-I47 HydrophobicContact CG-CD1 4.2Å; F42-I47 HydrophobicContact CZ-CD1 4.25Å; K45-I47 HydrophobicContact CB-CG1 3.98Å; K45-I47 PolarHBondContact O-N 2.7Å; I47-S49 PolarHBondContact O-N 3.07Å | ||
| 48 | K | 43.2 | Very low | 64.4 | Low | 131 Ų | 131 | 84 Ų | 84 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | trans | -56.3 | 116.8 | 167.8 | -160.1 | 167.1 | -175.6 | 175.3 | 0 | 106.8 | E46 D55 | E46-K48 PolarHBondContact O-N 3.19Å; E46-K48 VanDerWaalsContact O-N 3.15Å; K48-D55 IonicContact NZ-OD1 3.78Å; K48-D55 PolarHBondContact NZ-OD1 3.08Å | ||
| 49 | S | 41 | Very low | 64.8 | Low | 45 Ų | 45 | 80.5 Ų | 80.5 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | trans | -55.9 | 132.5 | -177 | -73.4 | 0 | 0 | 0 | 0 | 110.1 | I47 E51 L52 | I47-S49 PolarHBondContact O-N 3.07Å; S49-E51 PolarHBondContact O-N 3.43Å; S49-L52 PolarHBondContact O-N 3.49Å | ||
| 50 | P | 44.2 | Very low | 65.4 | Low | 138 Ų | 138 | 80.2 Ų | 80.2 | 90% | 0.896 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -2.2 | 175.9 | 27.7 | -33.7 | 0 | 0 | 0 | 113.5 | ||
| 51 | E | 43 | Very low | 66 | Low | 184 Ų | 184 | 75.7 Ų | 75.7 | 86% | 0.86 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 4 | -179.8 | -113.7 | -169.7 | 169.9 | 0 | 0 | 114.5 | S49 T53 | S49-E51 PolarHBondContact O-N 3.43Å; E51-T53 PolarHBondContact O-N 3.42Å |
| 52 | L | 48.3 | Very low | 66.6 | Low | 69 Ų | 69 | 73.7 Ų | 73.7 | 36% | 0.361 | 37% | 0.368 | S | S | . | . | trans | -86.9 | 104 | 173.3 | -80.4 | 160.9 | 0 | 0 | 0 | 109.3 | S49 E54 V258 V260 | S49-L52 PolarHBondContact O-N 3.49Å; L52-E54 PolarHBondContact O-N 2.94Å; L52-V258 HydrophobicContact CD1-CG1 4.18Å; L52-V258 HydrophobicContact CD2-CG1 4.03Å; L52-V260 HydrophobicContact CD1-CG2 4.36Å | ||
| 53 | T | 56.5 | Low | 67.5 | Low | 77 Ų | 77 | 70.3 Ų | 70.3 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | trans | -28 | 129.7 | 150.5 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | E51 D55 | E51-T53 PolarHBondContact O-N 3.42Å; T53-D55 PolarHBondContact O-N 3.21Å | ||
| 54 | E | 67.7 | Low | 68.7 | Low | 73 Ų | 73 | 65.2 Ų | 65.2 | 34% | 0.341 | 33% | 0.332 | S | S | . | . | trans | -36.5 | 130.9 | -175.5 | -65.1 | 179.9 | -177.3 | 0 | 0 | 113.2 | L52 R62 P198 | L52-E54 PolarHBondContact O-N 2.94Å; E54-R62 IonicContact OE1-CZ 3.27Å; E54-R62 VanDerWaalsContact OE1-CZ 3.29Å; E54-R62 IonicContact OE1-NH1 3.62Å; E54-R62 IonicContact OE1-NH2 3.79Å; E54-R62 PolarHBondContact OE1-NH2 2.95Å; E54-R62 IonicContact OE2-CZ 3.61Å; E54-R62 VanDerWaalsContact OE2-CZ 3.29Å; E54-R62 IonicContact OE2-NE 3.37Å; E54-R62 IonicContact OE2-NH1 2.93Å; E54-R62 IonicContact OE2-NH2 2.66Å; E54-R62 PolarHBondContact OE2-NH2 3.27Å; E54-P198 WeakPolarHBondContact O-CB 3.4Å; E54-P198 WeakPolarHBondContact O-CG 3.34Å | ||
| 55 | D | 77.3 | Confident | 69.8 | Low | 14 Ų | 14 | 64.4 Ų | 64.4 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | trans | -76.3 | 151.8 | 176.7 | 60.1 | -51.1 | 0 | 0 | 0 | 111.1 | K48 T53 N57 T58 F59 | K48-D55 IonicContact NZ-OD1 3.78Å; K48-D55 PolarHBondContact NZ-OD1 3.08Å; T53-D55 PolarHBondContact O-N 3.21Å; D55-N57 PolarHBondContact O-N 3.28Å; D55-N57 VanDerWaalsContact O-N 3.09Å; D55-T58 WeakPolarHBondContact O-CA 3.35Å; D55-T58 WeakPolarHBondContact O-CB 3.13Å; D55-T58 PolarHBondContact O-N 3.37Å; D55-T58 VanDerWaalsContact OD1-CB 3.3Å; D55-T58 WeakPolarHBondContact OD1-CB 3.22Å; D55-T58 PolarHBondContact OD1-OG1 2.7Å; D55-F59 PolarHBondContact O-N 3.29Å | ||
| 56 | W | 85.6 | Confident | 71.4 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -53.1 | -33.9 | -178.8 | -84.9 | 101.3 | 0 | 0 | 0 | 113.8 | F59 L60 I114 F197 P198 T200 Q202 P203 L256 | W56-F59 AromaticContact CE3-CD1 3.98Å; W56-F59 HydrophobicContact CE3-CD1 3.98Å; W56-F59 AromaticContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CE1 4.08Å; W56-F59 PolarHBondContact O-N 3.07Å; W56-L60 HydrophobicContact CE3-CD1 4.49Å; W56-L60 HydrophobicContact CE3-CG 4.38Å; W56-L60 VanDerWaalsContact O-CB 3.3Å; W56-L60 WeakPolarHBondContact O-CB 3.25Å; W56-L60 WeakPolarHBondContact O-CD1 3.32Å; W56-L60 WeakPolarHBondContact O-CG 3.23Å; W56-L60 PolarHBondContact O-N 3.41Å; W56-I114 HydrophobicContact CH2-CB 4.16Å; W56-I114 HydrophobicContact CH2-CG1 4.06Å; W56-I114 HydrophobicContact CH2-CG2 3.59Å; W56-I114 HydrophobicContact CZ2-CG2 4.4Å; W56-I114 HydrophobicContact CZ3-CG2 3.99Å; W56-F197 HydrophobicContact CH2-CB 4.18Å; W56-F197 AromaticContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CD1 3.46Å; W56-F197 VanDerWaalsContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CE1 4.22Å; W56-F197 HydrophobicContact CH2-CG 4.19Å; W56-F197 HydrophobicContact CZ2-CB 4.2Å; W56-F197 HydrophobicContact CZ2-CD1 4.3Å; W56-F197 HydrophobicContact CZ3-CD1 4.1Å; W56-P198 HydrophobicContact CD2-CB 4.1Å; W56-P198 HydrophobicContact CD2-CG 4.02Å; W56-P198 HydrophobicContact CE3-CG 4.41Å; W56-P198 HydrophobicContact CG-CB 4.03Å; W56-P198 HydrophobicContact CG-CG 4.2Å; W56-P198 PolarHBondContact NE1-O 3.17Å; W56-T200 PolarHBondContact NE1-O 3.4Å; W56-T200 VanDerWaalsContact NE1-O 3.12Å; W56-Q202 HydrophobicContact CZ2-CG 4.04Å; W56-P203 HydrophobicContact CD2-CG 4.05Å; W56-P203 HydrophobicContact CE3-CG 3.85Å; W56-P203 HydrophobicContact CZ3-CG 4.16Å; W56-L256 HydrophobicContact CB-CB 4.29Å |
| 57 | N | 85.8 | Confident | 73.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 173.7 | -79.6 | -40.8 | 0 | 0 | 0 | 112 | D55 F59 L60 L61 H250 L252 N253 T257 | D55-N57 PolarHBondContact O-N 3.28Å; D55-N57 VanDerWaalsContact O-N 3.09Å; N57-F59 VanDerWaalsContact C-N 3.33Å; N57-F59 PolarHBondContact O-N 3.49Å; N57-L60 PolarHBondContact O-N 3.08Å; N57-L61 WeakPolarHBondContact O-CB 3.1Å; N57-L61 WeakPolarHBondContact O-CG 3.47Å; N57-L61 PolarHBondContact O-N 3.35Å; N57-H250 PolarHBondContact OD1-NE2 3.03Å; N57-L252 HydrophobicContact CB-CD2 3.79Å; N57-N253 PolarHBondContact ND2-O 3.42Å; N57-N253 PolarHBondContact OD1-N 3.42Å; N57-N253 VanDerWaalsContact OD1-N 3.11Å; N57-T257 WeakPolarHBondContact ND2-CG2 3.32Å; N57-T257 PolarHBondContact ND2-N 3.3Å |
| 58 | T | 85.9 | Confident | 75 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 177 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | D55 L61 R62 | D55-T58 WeakPolarHBondContact O-CA 3.35Å; D55-T58 WeakPolarHBondContact O-CB 3.13Å; D55-T58 PolarHBondContact O-N 3.37Å; D55-T58 VanDerWaalsContact OD1-CB 3.3Å; D55-T58 WeakPolarHBondContact OD1-CB 3.22Å; D55-T58 PolarHBondContact OD1-OG1 2.7Å; T58-L61 PolarHBondContact O-N 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.38Å; T58-R62 PolarHBondContact O-N 3.46Å |
| 59 | F | 89.1 | Confident | 77.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -50.8 | 177.2 | 178.2 | -102.5 | 0 | 0 | 0 | 112.1 | D55 W56 N57 L61 R62 F63 I190 I196 F197 P198 | D55-F59 PolarHBondContact O-N 3.29Å; W56-F59 AromaticContact CE3-CD1 3.98Å; W56-F59 HydrophobicContact CE3-CD1 3.98Å; W56-F59 AromaticContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CD1 3.96Å; W56-F59 HydrophobicContact CZ3-CE1 4.08Å; W56-F59 PolarHBondContact O-N 3.07Å; N57-F59 VanDerWaalsContact C-N 3.33Å; N57-F59 PolarHBondContact O-N 3.49Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.13Å; F59-R62 WeakPolarHBondContact O-CB 3.28Å; F59-R62 PolarHBondContact O-N 3.25Å; F59-F63 HydrophobicContact CD1-CE2 4.12Å; F59-F63 AromaticContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CZ 4.16Å; F59-F63 HydrophobicContact CE2-CE2 4.47Å; F59-F63 AromaticContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CZ 4.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.21Å; F59-I190 HydrophobicContact CE1-CD1 3.95Å; F59-I196 HydrophobicContact CE2-CG2 4.07Å; F59-I196 HydrophobicContact CZ-CG2 4.22Å; F59-F197 HydrophobicContact CE1-CD1 4.33Å; F59-F197 HydrophobicContact CZ-CD1 4.36Å; F59-P198 HydrophobicContact CB-CG 3.66Å; F59-P198 HydrophobicContact CD1-CG 4.41Å; F59-P198 HydrophobicContact CD2-CG 4.39Å; F59-P198 HydrophobicContact CG-CG 3.92Å |
| 60 | L | 90.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -31.7 | -179.3 | -68.7 | 168.4 | 0 | 0 | 0 | 112.9 | W56 N57 R62 F63 V116 I190 H250 | W56-L60 HydrophobicContact CE3-CD1 4.49Å; W56-L60 HydrophobicContact CE3-CG 4.38Å; W56-L60 VanDerWaalsContact O-CB 3.3Å; W56-L60 WeakPolarHBondContact O-CB 3.25Å; W56-L60 WeakPolarHBondContact O-CD1 3.32Å; W56-L60 WeakPolarHBondContact O-CG 3.23Å; W56-L60 PolarHBondContact O-N 3.41Å; N57-L60 PolarHBondContact O-N 3.08Å; L60-R62 PolarHBondContact O-N 3.43Å; L60-F63 PolarHBondContact O-N 3.29Å; L60-V116 HydrophobicContact CD1-CG1 3.81Å; L60-V116 HydrophobicContact CD2-CB 4.38Å; L60-V116 HydrophobicContact CD2-CG1 4.27Å; L60-V116 HydrophobicContact CD2-CG2 4.21Å; L60-I190 HydrophobicContact CD2-CD1 4.28Å; L60-H250 HydrophobicContact CB-CB 4.13Å |
| 61 | L | 89.6 | Confident | 80.9 | Confident | 61 Ų | 61 | 36.2 Ų | 36.2 | 32% | 0.319 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.2 | -28.7 | 176.1 | -79.7 | 173.2 | 0 | 0 | 0 | 112.8 | N57 T58 F59 F63 N64 L252 | N57-L61 WeakPolarHBondContact O-CB 3.1Å; N57-L61 WeakPolarHBondContact O-CG 3.47Å; N57-L61 PolarHBondContact O-N 3.35Å; T58-L61 PolarHBondContact O-N 3.43Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 3.13Å; L61-F63 PolarHBondContact O-N 3.03Å; L61-N64 WeakPolarHBondContact CD2-ND2 3.19Å; L61-N64 WeakPolarHBondContact O-CB 3.44Å; L61-N64 PolarHBondContact O-N 2.86Å; L61-L252 HydrophobicContact CD1-CD2 3.85Å; L61-L252 HydrophobicContact CG-CD2 4.46Å |
| 62 | R | 88.3 | Confident | 82.1 | Confident | 54 Ų | 54 | 32.9 Ų | 32.9 | 20% | 0.204 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -64.7 | -24.1 | 178.8 | -57.7 | -168.8 | 179.1 | -169.6 | -7.6 | 113.3 | E54 T58 F59 L60 N64 D65 V147 G148 | E54-R62 IonicContact OE1-CZ 3.27Å; E54-R62 VanDerWaalsContact OE1-CZ 3.29Å; E54-R62 IonicContact OE1-NH1 3.62Å; E54-R62 IonicContact OE1-NH2 3.79Å; E54-R62 PolarHBondContact OE1-NH2 2.95Å; E54-R62 IonicContact OE2-CZ 3.61Å; E54-R62 VanDerWaalsContact OE2-CZ 3.29Å; E54-R62 IonicContact OE2-NE 3.37Å; E54-R62 IonicContact OE2-NH1 2.93Å; E54-R62 IonicContact OE2-NH2 2.66Å; E54-R62 PolarHBondContact OE2-NH2 3.27Å; T58-R62 WeakPolarHBondContact O-CG 3.38Å; T58-R62 PolarHBondContact O-N 3.46Å; F59-R62 WeakPolarHBondContact O-CB 3.28Å; F59-R62 PolarHBondContact O-N 3.25Å; L60-R62 PolarHBondContact O-N 3.43Å; R62-N64 PolarHBondContact O-N 2.99Å; R62-D65 PolarHBondContact O-N 3.08Å; R62-V147 WeakPolarHBondContact CD-O 3.43Å; R62-V147 PolarHBondContact NH1-O 2.8Å; R62-V147 VanDerWaalsContact NH1-O 3.12Å; R62-G148 PolarHBondContact NH1-O 2.97Å |
| 63 | F | 90.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -73.1 | -15.9 | 174.4 | -64.4 | -91 | 0 | 0 | 0 | 112.5 | F59 L60 L61 D65 L66 V147 I160 M188 I190 V248 | F59-F63 HydrophobicContact CD1-CE2 4.12Å; F59-F63 AromaticContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CE2 3.71Å; F59-F63 HydrophobicContact CE1-CZ 4.16Å; F59-F63 HydrophobicContact CE2-CE2 4.47Å; F59-F63 AromaticContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CE2 3.9Å; F59-F63 HydrophobicContact CZ-CZ 4.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.21Å; L60-F63 PolarHBondContact O-N 3.29Å; L61-F63 PolarHBondContact O-N 3.03Å; F63-D65 PolarHBondContact O-N 3.44Å; F63-L66 HydrophobicContact CD1-CD1 3.98Å; F63-L66 PolarHBondContact O-N 2.98Å; F63-V147 HydrophobicContact CD1-CG1 3.98Å; F63-V147 HydrophobicContact CE1-CG1 3.64Å; F63-V147 HydrophobicContact CZ-CG1 3.96Å; F63-I160 HydrophobicContact CD1-CD1 3.87Å; F63-I160 HydrophobicContact CE1-CD1 3.57Å; F63-I160 HydrophobicContact CE1-CG1 4.29Å; F63-M188 HydrophobicContact CB-CE 4.48Å; F63-M188 HydrophobicContact CD1-CE 3.41Å; F63-M188 VanDerWaalsContact CD1-CE 3.41Å; F63-M188 HydrophobicContact CD2-CE 4.35Å; F63-M188 HydrophobicContact CE1-CE 3.57Å; F63-M188 HydrophobicContact CE2-CE 4.47Å; F63-M188 HydrophobicContact CG-CE 3.83Å; F63-M188 HydrophobicContact CZ-CE 4.11Å; F63-I190 HydrophobicContact CE2-CD1 4.04Å; F63-I190 HydrophobicContact CZ-CD1 3.86Å; F63-V248 HydrophobicContact CB-CG1 4.3Å |
| 64 | N | 90 | Very high | 82.4 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 20% | 0.203 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -69.2 | -25 | 174.8 | -62.8 | -4.5 | 0 | 0 | 0 | 112.4 | L61 R62 L66 V248 Y249 H250 | L61-N64 WeakPolarHBondContact CD2-ND2 3.19Å; L61-N64 WeakPolarHBondContact O-CB 3.44Å; L61-N64 PolarHBondContact O-N 2.86Å; R62-N64 PolarHBondContact O-N 2.99Å; N64-L66 PolarHBondContact O-N 2.98Å; N64-V248 WeakPolarHBondContact CA-O 3.34Å; N64-V248 PolarHBondContact OD1-O 3.01Å; N64-Y249 WeakPolarHBondContact OD1-CA 3.27Å; N64-H250 PolarHBondContact OD1-N 2.85Å |
| 65 | D | 87.9 | Confident | 81.8 | Confident | 84 Ų | 84 | 36.7 Ų | 36.7 | 45% | 0.449 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -85.4 | 3.9 | -179.9 | -56.6 | -33.8 | 0 | 0 | 0 | 111.7 | R62 F63 S227 | R62-D65 PolarHBondContact O-N 3.08Å; F63-D65 PolarHBondContact O-N 3.44Å; D65-S227 WeakPolarHBondContact O-CB 3.15Å; D65-S227 PolarHBondContact O-N 3.47Å; D65-S227 PolarHBondContact O-OG 2.85Å |
| 66 | L | 89.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131.7 | 177.7 | -62.2 | -179.7 | 0 | 0 | 0 | 111.8 | F63 N64 F68 V142 Q146 V147 V224 R225 | F63-L66 HydrophobicContact CD1-CD1 3.98Å; F63-L66 PolarHBondContact O-N 2.98Å; N64-L66 PolarHBondContact O-N 2.98Å; L66-F68 HydrophobicContact CB-CE2 3.87Å; L66-F68 HydrophobicContact CB-CZ 4.13Å; L66-F68 HydrophobicContact CD1-CZ 4.3Å; L66-V142 HydrophobicContact CD1-CG1 4.3Å; L66-Q146 HydrophobicContact CD2-CB 4.2Å; L66-Q146 WeakPolarHBondContact CD2-O 3.45Å; L66-V147 HydrophobicContact CD1-CG1 3.68Å; L66-V224 HydrophobicContact CB-CG1 3.92Å; L66-V224 HydrophobicContact CD1-CG1 3.96Å; L66-V224 HydrophobicContact CD2-CG1 3.92Å; L66-V224 HydrophobicContact CG-CG1 4.16Å; L66-R225 WeakPolarHBondContact CA-O 3.17Å |
| 67 | D | 90.4 | Very high | 78.3 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.3 | 167.5 | -72.9 | -24.4 | 0 | 0 | 0 | 109.5 | V224 R225 W239 I245 K247 | D67-V224 WeakPolarHBondContact O-CA 3.32Å; D67-R225 PolarHBondContact N-O 2.6Å; D67-R225 PolarHBondContact O-N 3.29Å; D67-W239 HydrophobicContact CB-CH2 3.63Å; D67-W239 HydrophobicContact CB-CZ2 3.73Å; D67-W239 WeakPolarHBondContact O-CH2 3.42Å; D67-I245 HydrophobicContact CB-CG2 4.33Å; D67-K247 WeakPolarHBondContact OD1-CG 3.44Å; D67-K247 IonicContact OD1-NZ 2.73Å; D67-K247 PolarHBondContact OD1-NZ 3.41Å; D67-K247 IonicContact OD2-NZ 3.63Å |
| 68 | F | 90.3 | Very high | 76.2 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.5 | 176.5 | -60.5 | -96.9 | 0 | 0 | 0 | 108.9 | L66 A140 I160 F162 T223 V224 I245 G246 V248 | L66-F68 HydrophobicContact CB-CE2 3.87Å; L66-F68 HydrophobicContact CB-CZ 4.13Å; L66-F68 HydrophobicContact CD1-CZ 4.3Å; F68-A140 HydrophobicContact CD1-CB 3.85Å; F68-A140 HydrophobicContact CE1-CB 3.78Å; F68-I160 HydrophobicContact CE1-CD1 4.15Å; F68-I160 HydrophobicContact CZ-CD1 4.26Å; F68-F162 HydrophobicContact CD1-CE2 4.14Å; F68-F162 AromaticContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CZ 4.08Å; F68-F162 HydrophobicContact CE2-CZ 4.27Å; F68-F162 HydrophobicContact CZ-CE2 4.19Å; F68-F162 AromaticContact CZ-CZ 3.9Å; F68-F162 HydrophobicContact CZ-CZ 3.9Å; F68-T223 CarbonylContact C-O 3.59Å; F68-T223 WeakPolarHBondContact CA-O 3.42Å; F68-V224 HydrophobicContact CD1-CG1 4.46Å; F68-V224 HydrophobicContact CD1-CG2 3.44Å; F68-V224 VanDerWaalsContact CD1-CG2 3.44Å; F68-V224 HydrophobicContact CE1-CG1 4.23Å; F68-V224 HydrophobicContact CE1-CG2 3.55Å; F68-V224 HydrophobicContact CG-CG2 4.37Å; F68-I245 CarbonylContact O-C 3.13Å; F68-I245 WeakPolarHBondContact O-CA 3.48Å; F68-G246 PolarHBondContact N-O 3.43Å; F68-G246 PolarHBondContact O-N 3.31Å; F68-V248 HydrophobicContact CD2-CG2 4.02Å; F68-V248 HydrophobicContact CE2-CB 4.33Å; F68-V248 HydrophobicContact CE2-CG2 3.44Å; F68-V248 VanDerWaalsContact CE2-CG2 3.44Å; F68-V248 HydrophobicContact CZ-CG2 4.14Å |
| 69 | C | 88.4 | Confident | 73.9 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.4 | 171.1 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | T222 T223 W239 C240 | C69-T222 WeakPolarHBondContact O-CA 3.33Å; C69-T222 VanDerWaalsContact O-CB 3.26Å; C69-T222 WeakPolarHBondContact O-CB 3.37Å; C69-T223 WeakPolarHBondContact CB-OG1 3.19Å; C69-T223 PolarHBondContact N-O 2.82Å; C69-T223 PolarHBondContact O-N 2.8Å; C69-W239 HydrophobicContact CB-CE3 3.89Å; C69-W239 HydrophobicContact CB-CH2 3.9Å; C69-W239 HydrophobicContact CB-CZ3 3.36Å; C69-C240 WeakPolarHBondContact CA-SG 3.48Å; C69-C240 HydrophobicContact CB-CB 3.57Å; C69-C240 WeakPolarHBondContact CB-SG 3.48Å; C69-C240 WeakPolarHBondContact SG-CA 3.26Å; C69-C240 WeakPolarHBondContact SG-CB 3.45Å; C69-C240 CovalentContact SG-SG 2.04Å; C69-C240 PolarHBondContact SG-SG 2.8Å |
| 70 | V | 86.8 | Confident | 71.6 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.5 | 170.5 | -166.2 | 0 | 0 | 0 | 0 | 108.7 | L122 I135 L138 W168 V220 T222 G243 A244 | V70-L122 HydrophobicContact CG2-CD2 4.19Å; V70-I135 HydrophobicContact CG1-CD1 4.49Å; V70-L138 HydrophobicContact CG1-CD2 3.97Å; V70-L138 HydrophobicContact CG2-CD1 4.37Å; V70-L138 HydrophobicContact CG2-CD2 4.15Å; V70-W168 HydrophobicContact CB-CZ3 4.23Å; V70-W168 HydrophobicContact CG1-CZ3 4.04Å; V70-W168 HydrophobicContact CG2-CZ3 4.12Å; V70-V220 HydrophobicContact CG1-CB 4.19Å; V70-V220 HydrophobicContact CG1-CG1 3.59Å; V70-T222 HydrophobicContact CB-CG2 4.34Å; V70-T222 HydrophobicContact CG1-CG2 4.5Å; V70-T222 HydrophobicContact CG2-CG2 3.77Å; V70-G243 CarbonylContact O-C 3.57Å; V70-G243 WeakPolarHBondContact O-CA 3.13Å; V70-A244 HydrophobicContact CB-CB 4.45Å; V70-A244 PolarHBondContact N-O 3.43Å; V70-A244 PolarHBondContact O-N 3.48Å |
| 71 | S | 77.2 | Confident | 69 | Low | 29 Ų | 29 | 69.7 Ų | 69.7 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 157.1 | 178.3 | 74.2 | 0 | 0 | 0 | 0 | 111.9 | N73 | S71-N73 VanDerWaalsContact C-N 3.26Å; S71-N73 PolarHBondContact O-N 3.03Å |
| 72 | E | 67.7 | Low | 66.4 | Low | 113 Ų | 113 | 74.1 Ų | 74.1 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -19.5 | -171.5 | -167.9 | 176.1 | -160.9 | 0 | 0 | 114.4 | E74 | E72-E74 PolarHBondContact O-N 3.37Å |
| 73 | N | 57.9 | Low | 63.8 | Low | 152 Ų | 152 | 76.3 Ų | 76.3 | 81% | 0.813 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -12.4 | -166.6 | -79.8 | -4.3 | 0 | 0 | 0 | 115.3 | S71 | S71-N73 VanDerWaalsContact C-N 3.26Å; S71-N73 PolarHBondContact O-N 3.03Å |
| 74 | E | 54.5 | Low | 61 | Low | 96 Ų | 96 | 82 Ų | 82 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 49.4 | -173.4 | -62.4 | -174.4 | -178.4 | 0 | 0 | 112.2 | E72 I76 F221 | E72-E74 PolarHBondContact O-N 3.37Å; E74-I76 PolarHBondContact O-N 3.23Å; E74-F221 HydrophobicContact CB-CB 3.67Å; E74-F221 HydrophobicContact CB-CD2 4.28Å; E74-F221 HydrophobicContact CB-CG 4.24Å; E74-F221 HydrophobicContact CG-CB 4.5Å; E74-F221 WeakPolarHBondContact O-CD2 3.41Å; E74-F221 PolarHBondContact O-N 2.9Å; E74-F221 WeakPolarHBondContact OE2-CB 3.34Å |
| 75 | T | 54.5 | Low | 58.1 | Low | 51 Ų | 51 | 84.7 Ų | 84.7 | 31% | 0.313 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 98.4 | 172.1 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | K77 V220 | T75-K77 PolarHBondContact O-N 2.86Å; T75-K77 VanDerWaalsContact O-N 3.11Å; T75-V220 HydrophobicContact CG2-CG2 4.2Å |
| 76 | I | 46.8 | Very low | 55.5 | Low | 81 Ų | 81 | 86.8 Ų | 86.8 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 104.5 | 164.9 | -57.5 | -179.2 | 0 | 0 | 0 | 107.6 | E74 H78 F221 | E74-I76 PolarHBondContact O-N 3.23Å; I76-H78 VanDerWaalsContact C-N 3.29Å; I76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; I76-H78 PolarHBondContact O-N 3.43Å; I76-F221 HydrophobicContact CB-CE2 4.21Å; I76-F221 HydrophobicContact CD1-CE2 3.45Å; I76-F221 VanDerWaalsContact CD1-CE2 3.45Å; I76-F221 HydrophobicContact CD1-CZ 3.54Å; I76-F221 HydrophobicContact CG1-CD2 4.45Å; I76-F221 HydrophobicContact CG1-CE2 3.59Å; I76-F221 HydrophobicContact CG1-CZ 4.21Å |
| 77 | K | 42.2 | Very low | 52.5 | Low | 182 Ų | 182 | 94.5 Ų | 94.5 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | trans | -67 | 87.2 | 163.5 | -64.7 | -179.6 | -178.6 | 177.9 | 0 | 108.5 | T75 G79 | T75-K77 PolarHBondContact O-N 2.86Å; T75-K77 VanDerWaalsContact O-N 3.11Å; K77-G79 VanDerWaalsContact C-N 3.26Å; K77-G79 PolarHBondContact O-N 3.45Å | ||
| 78 | H | 42.4 | Very low | 49.7 | Very low | 117 Ų | 117 | 98.5 Ų | 98.5 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | trans | -76 | 88.5 | 161.6 | -88.1 | -83 | 0 | 0 | 0 | 108.5 | I76 E82 | I76-H78 VanDerWaalsContact C-N 3.29Å; I76-H78 WeakPolarHBondContact CG2-CD2 3.49Å; I76-H78 PolarHBondContact O-N 3.43Å; H78-E82 IonicContact CE1-OE2 3.04Å | ||
| 79 | G | 37.5 | Very low | 46.8 | Very low | 59 Ų | 59 | 105.8 Ų | 105.8 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | trans | -125.7 | 113.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K77 | K77-G79 VanDerWaalsContact C-N 3.26Å; K77-G79 PolarHBondContact O-N 3.45Å | ||
| 80 | L | 41.8 | Very low | 43.8 | Very low | 167 Ų | 167 | 111.4 Ų | 111.4 | 87% | 0.874 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 75.9 | 111.9 | 173.7 | -66.3 | 139.8 | 0 | 0 | 0 | 116.7 | ||
| 81 | N | 35.7 | Very low | 41.1 | Very low | 151 Ų | 151 | 117.3 Ų | 117.3 | 81% | 0.807 | 65% | 0.653 | S | S | * | * | trans | 107 | 49.6 | 158.9 | -51.4 | -16.1 | 0 | 0 | 0 | 118.7 | ||||
| 82 | E | 34 | Very low | 38.7 | Very low | 154 Ų | 154 | 121.7 Ų | 121.7 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -122.1 | 75.7 | 147.1 | -105.2 | 176.1 | 162.1 | 0 | 0 | 108.9 | H78 T84 | H78-E82 IonicContact CE1-OE2 3.04Å; E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.4Å | ||
| 83 | S | 33.7 | Very low | 36.8 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | -83.3 | 81.2 | 159.3 | 166.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 84 | T | 32.1 | Very low | 35.3 | Very low | 120 Ų | 120 | 118.6 Ų | 118.6 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | trans | -95.4 | 85.5 | 157 | 27.3 | 0 | 0 | 0 | 0 | 107.6 | E82 | E82-T84 VanDerWaalsContact C-N 3.3Å; E82-T84 PolarHBondContact O-N 3.4Å | ||
| 85 | T | 28.3 | Very low | 34.1 | Very low | 95 Ų | 95 | 123.4 Ų | 123.4 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | trans | -46.9 | 129 | 157.9 | 37.1 | 0 | 0 | 0 | 0 | 110.1 | E87 | T85-E87 PolarHBondContact O-N 3Å; T85-E87 VanDerWaalsContact O-N 3.08Å | ||
| 86 | P | 33.4 | Very low | 32.8 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -73.8 | 97.9 | 161.4 | 28.1 | -26.9 | 0 | 0 | 0 | 107.1 | S88 | P86-S88 PolarHBondContact O-N 3.33Š| ||
| 87 | E | 27.5 | Very low | 31.8 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -66 | 102.1 | 169.6 | -81 | -173.1 | 150 | 0 | 0 | 109.1 | T85 L89 | T85-E87 PolarHBondContact O-N 3Å; T85-E87 VanDerWaalsContact O-N 3.08Å; E87-L89 PolarHBondContact O-N 2.95Å | ||
| 88 | S | 31.3 | Very low | 31.2 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 113.5 | 157 | -164.1 | 0 | 0 | 0 | 0 | 108.3 | P86 | P86-S88 PolarHBondContact O-N 3.33Š| ||
| 89 | L | 28.3 | Very low | 30.4 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | -121.9 | 90.8 | 162.8 | -74.8 | 173.4 | 0 | 0 | 0 | 108.9 | E87 | E87-L89 PolarHBondContact O-N 2.95Š| ||
| 90 | V | 26.9 | Very low | 30.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -79.9 | 143.9 | 150.7 | 176.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 91 | V | 29.3 | Very low | 29.8 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 140.4 | 96.5 | 146.3 | 172.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 92 | T | 26.6 | Very low | 29.5 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 96.5 | 123.9 | 84.1 | -52.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 93 | S | 27.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 66.6 | 121.2 | 150.3 | -163.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 94 | G | 26.5 | Very low | 29.4 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 178.2 | 91.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 95 | Q | 30.1 | Very low | 29.6 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -81.1 | 124.1 | -177.8 | -176.5 | 173.9 | -2.8 | 0 | 0 | 111.7 | ||||
| 96 | A | 25.8 | Very low | 30.1 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -177.2 | 121.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 97 | R | 26.9 | Very low | 30.4 | Very low | 249 Ų | 249 | 142.4 Ų | 142.4 | 94% | 0.94 | 81% | 0.813 | S | S | * | * | trans | 68.6 | 102 | 144.1 | -77.7 | -178.8 | 172.7 | 150.5 | -1.2 | 122.6 | ||||
| 98 | S | 28.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -5.6 | 123.1 | 134.7 | -175.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 99 | S | 27.2 | Very low | 32.6 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -158.5 | 136.2 | 135.2 | -171.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | T | 35.3 | Very low | 34.8 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -72.9 | 136.5 | -171 | -31.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 101 | Q | 30.3 | Very low | 37.5 | Very low | 189 Ų | 189 | 134.2 Ų | 134.2 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -168 | 162.2 | 152.6 | -110.2 | 170.9 | -26.5 | 0 | 0 | 111.4 | ||||
| 102 | P | 29.1 | Very low | 40.4 | Very low | 104 Ų | 104 | 131 Ų | 131 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | -98.6 | -175.9 | -126.1 | 44.5 | -33 | 0 | 0 | 0 | 112.8 | L104 | P102-L104 PolarHBondContact O-N 2.93Š| |||
| 103 | P | 33.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 123.2 | -156 | 29.7 | -30.9 | 0 | 0 | 0 | 111.2 | L105 | P103-L105 PolarHBondContact O-N 3.27Š|
| 104 | L | 33.7 | Very low | 46.4 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 118.9 | 170 | -73.6 | 163.9 | 0 | 0 | 0 | 108.1 | P102 | P102-L104 PolarHBondContact O-N 2.93Š|
| 105 | L | 34.4 | Very low | 49.5 | Very low | 164 Ų | 164 | 121.7 Ų | 121.7 | 86% | 0.859 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -51 | 139.1 | 164.8 | -75.9 | 163 | 0 | 0 | 0 | 109.4 | P103 E107 | P103-L105 PolarHBondContact O-N 3.27Å; L105-E107 PolarHBondContact O-N 3.39Å |
| 106 | L | 39.4 | Very low | 52.4 | Low | 166 Ų | 166 | 112.6 Ų | 112.6 | 87% | 0.869 | 64% | 0.64 | S | S | * | * | trans | -8.4 | 114.7 | 172.7 | -103.4 | 77.1 | 0 | 0 | 0 | 113.8 | D108 | L106-D108 PolarHBondContact O-N 3Š| ||
| 107 | E | 39.8 | Very low | 55.5 | Low | 178 Ų | 178 | 111.6 Ų | 111.6 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | trans | -49.5 | 110.3 | 158 | -87.2 | 154.1 | 125.8 | 0 | 0 | 108.5 | L105 S109 | L105-E107 PolarHBondContact O-N 3.39Å; E107-S109 PolarHBondContact O-N 3.41Å; E107-S109 PolarHBondContact O-OG 3.36Å | ||
| 108 | D | 46.3 | Very low | 58.6 | Low | 161 Ų | 161 | 100 Ų | 100 | 86% | 0.861 | 58% | 0.584 | S | S | * | * | trans | -60.6 | 92.5 | 164.7 | -170 | 28.3 | 0 | 0 | 0 | 106.2 | L106 G110 | L106-D108 PolarHBondContact O-N 3Å; D108-G110 PolarHBondContact O-N 3.04Å; D108-G110 VanDerWaalsContact O-N 3.15Å | ||
| 109 | S | 58.7 | Low | 61.7 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 46% | 0.462 | 56% | 0.559 | S | S | . | * | trans | -67.9 | 115.4 | -175.8 | -60.4 | 0 | 0 | 0 | 0 | 105.7 | E107 | E107-S109 PolarHBondContact O-N 3.41Å; E107-S109 PolarHBondContact O-OG 3.36Å | ||
| 110 | G | 74.1 | Confident | 64.8 | Low | 47 Ų | 47 | 91 Ų | 91 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | trans | -53.6 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D108 I112 | D108-G110 PolarHBondContact O-N 3.04Å; D108-G110 VanDerWaalsContact O-N 3.15Å; G110-I112 PolarHBondContact O-N 2.97Å | ||
| 111 | P | 84.8 | Confident | 67.6 | Low | 98 Ų | 98 | 85.4 Ų | 85.4 | 64% | 0.636 | 49% | 0.485 | S | S | * | . | trans | -55.6 | 133.1 | -174.4 | 23.6 | -33.6 | 0 | 0 | 0 | 111.6 | T191 A192 | P111-T191 HydrophobicContact CB-CG2 4.05Å; P111-A192 CarbonylContact C-O 3.55Å; P111-A192 WeakPolarHBondContact CA-O 3.46Å | ||
| 112 | I | 89.3 | Confident | 70.5 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 30% | 0.297 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 147.5 | 178.1 | 69.4 | 172.9 | 0 | 0 | 0 | 110.5 | G110 I114 T191 A192 F197 | G110-I112 PolarHBondContact O-N 2.97Å; I112-I114 HydrophobicContact CD1-CD1 4.35Å; I112-T191 WeakPolarHBondContact O-CA 3.42Å; I112-A192 PolarHBondContact N-O 3.21Å; I112-A192 PolarHBondContact O-N 2.97Å; I112-A192 VanDerWaalsContact O-N 3.16Å; I112-F197 HydrophobicContact CD1-CD2 3.44Å; I112-F197 VanDerWaalsContact CD1-CD2 3.44Å; I112-F197 HydrophobicContact CD1-CE2 3.81Å; I112-F197 HydrophobicContact CD1-CG 4.21Å; I112-F197 HydrophobicContact CG1-CD2 3.47Å; I112-F197 VanDerWaalsContact CG1-CD2 3.47Å; I112-F197 HydrophobicContact CG1-CE2 3.26Å; I112-F197 HydrophobicContact CG1-CZ 4.23Å |
| 113 | N | 90.3 | Very high | 73.4 | Confident | 97 Ų | 97 | 74.8 Ų | 74.8 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.9 | -175 | -58.2 | -3.3 | 0 | 0 | 0 | 110 | T189 I190 T191 | N113-T189 HydrophobicContact CB-CG2 4.33Å; N113-I190 CarbonylContact C-O 3.52Å; N113-I190 WeakPolarHBondContact CA-O 3.32Å; N113-T191 WeakPolarHBondContact OD1-CG2 3.45Å; N113-T191 PolarHBondContact OD1-OG1 3.49Å |
| 114 | I | 89.9 | Confident | 76 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.8 | -179.4 | -51.9 | -67.8 | 0 | 0 | 0 | 109.6 | W56 I112 V116 T189 I190 F197 Q202 P203 | W56-I114 HydrophobicContact CH2-CB 4.16Å; W56-I114 HydrophobicContact CH2-CG1 4.06Å; W56-I114 HydrophobicContact CH2-CG2 3.59Å; W56-I114 HydrophobicContact CZ2-CG2 4.4Å; W56-I114 HydrophobicContact CZ3-CG2 3.99Å; I112-I114 HydrophobicContact CD1-CD1 4.35Å; I114-V116 HydrophobicContact CG2-CG2 4.07Å; I114-T189 CarbonylContact O-C 3.58Å; I114-T189 WeakPolarHBondContact O-CA 3.44Å; I114-I190 PolarHBondContact N-O 2.95Å; I114-I190 PolarHBondContact O-N 3.27Å; I114-F197 HydrophobicContact CB-CE1 4.02Å; I114-F197 HydrophobicContact CB-CZ 4.44Å; I114-F197 HydrophobicContact CG1-CD1 3.9Å; I114-F197 HydrophobicContact CG1-CE1 3.63Å; I114-F197 HydrophobicContact CG1-CE2 4.31Å; I114-F197 HydrophobicContact CG1-CG 4.3Å; I114-F197 HydrophobicContact CG1-CZ 3.84Å; I114-Q202 HydrophobicContact CG2-CG 4.28Å; I114-P203 HydrophobicContact CG2-CG 4.42Å |
| 115 | S | 91.3 | Very high | 78.4 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 11% | 0.112 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.6 | -178.5 | 60 | 0 | 0 | 0 | 0 | 111 | M188 H205 C206 | S115-M188 CarbonylContact C-O 3.35Å; S115-M188 WeakPolarHBondContact CA-O 3.45Å; S115-H205 PolarHBondContact OG-ND1 3.16Å; S115-C206 PolarHBondContact OG-O 3.15Å |
| 116 | V | 91.8 | Very high | 80.6 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.3 | -178 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | L60 I114 I118 M188 P203 C206 | L60-V116 HydrophobicContact CD1-CG1 3.81Å; L60-V116 HydrophobicContact CD2-CB 4.38Å; L60-V116 HydrophobicContact CD2-CG1 4.27Å; L60-V116 HydrophobicContact CD2-CG2 4.21Å; I114-V116 HydrophobicContact CG2-CG2 4.07Å; V116-I118 PolarHBondContact O-N 2.94Å; V116-M188 PolarHBondContact N-O 3.45Å; V116-M188 PolarHBondContact O-N 3.3Å; V116-P203 HydrophobicContact CB-CG 4.43Å; V116-P203 HydrophobicContact CG1-CB 3.95Å; V116-P203 HydrophobicContact CG1-CG 4.22Å; V116-P203 HydrophobicContact CG2-CB 3.99Å; V116-P203 HydrophobicContact CG2-CG 3.41Å; V116-P203 VanDerWaalsContact CG2-CG 3.41Å; V116-C206 PolarHBondContact N-SG 2.98Å; V116-C206 VanDerWaalsContact N-SG 3.38Å; V116-C206 PolarHBondContact O-SG 3.32Å; V116-C206 VanDerWaalsContact O-SG 3.34Å |
| 117 | S | 90.8 | Very high | 82.4 | Confident | 70 Ų | 70 | 60 Ų | 60 | 49% | 0.49 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 124 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 110 | C206 | S117-C206 PolarHBondContact N-SG 3.2Å |
| 118 | I | 92 | Very high | 84.3 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 152.4 | -178.2 | -154 | 155.6 | 0 | 0 | 0 | 112.2 | V116 F162 T186 M188 V248 Y249 H250 | V116-I118 PolarHBondContact O-N 2.94Å; I118-F162 HydrophobicContact CG2-CD1 4.41Å; I118-F162 HydrophobicContact CG2-CE1 4.25Å; I118-T186 PolarHBondContact N-O 3.24Å; I118-T186 PolarHBondContact O-N 2.04Å; I118-T186 PolarHBondContact O-OG1 3.13Å; I118-M188 HydrophobicContact CB-CB 4.47Å; I118-M188 HydrophobicContact CD1-SD 4.04Å; I118-M188 HydrophobicContact CG2-CB 3.57Å; I118-M188 HydrophobicContact CG2-CG 4.41Å; I118-M188 HydrophobicContact CG2-SD 4.12Å; I118-V248 HydrophobicContact CD1-CG1 3.13Å; I118-V248 HydrophobicContact CG1-CG1 3.53Å; I118-V248 HydrophobicContact CG2-CG1 4.21Å; I118-Y249 WeakPolarHBondContact CG1-O 3.47Å; I118-H250 HydrophobicContact CD1-CB 4Å; I118-H250 HydrophobicContact CG1-CB 4.37Å |
| 119 | T | 93.8 | Very high | 85.5 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 31% | 0.307 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 129.4 | 175.8 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | V183 F184 V248 Y249 | T119-V183 HydrophobicContact CG2-CG1 3.67Å; T119-F184 CarbonylContact C-O 3.55Å; T119-F184 WeakPolarHBondContact CA-O 3.25Å; T119-V248 CarbonylContact O-C 3.55Å; T119-V248 WeakPolarHBondContact O-CA 3.24Å; T119-Y249 WeakPolarHBondContact CB-O 3.44Å; T119-Y249 PolarHBondContact N-O 3.49Å; T119-Y249 VanDerWaalsContact N-O 3.16Å; T119-Y249 PolarHBondContact O-N 3.2Å |
| 120 | L | 93 | Very high | 86.1 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.3 | 176 | 176.3 | 70.1 | 0 | 0 | 0 | 109 | L122 L138 F162 L164 F184 T186 K247 V248 | L120-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD2-CD1 4.42Å; L120-L122 HydrophobicContact CD2-CD2 4.05Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD2 4.04Å; L120-L122 HydrophobicContact CG-CG 4.28Å; L120-L138 HydrophobicContact CD2-CD1 3.75Å; L120-F162 HydrophobicContact CD2-CB 4.22Å; L120-F162 HydrophobicContact CD2-CD1 4.35Å; L120-F162 HydrophobicContact CD2-CG 4.18Å; L120-L164 HydrophobicContact CD2-CD2 3.94Å; L120-F184 PolarHBondContact N-O 3.39Å; L120-F184 PolarHBondContact O-N 3.39Å; L120-T186 HydrophobicContact CB-CG2 3.91Å; L120-T186 HydrophobicContact CD2-CG2 4.19Å; L120-K247 WeakPolarHBondContact CA-O 3.4Å; L120-V248 HydrophobicContact CD1-CG2 3.91Å |
| 121 | T | 93.1 | Very high | 86 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135 | 171.8 | 65.6 | 0 | 0 | 0 | 0 | 109.6 | V182 V183 G246 K247 Y249 | T121-V182 CarbonylContact C-O 3.5Å; T121-V182 VanDerWaalsContact CA-O 3.28Å; T121-V182 WeakPolarHBondContact CA-O 3.4Å; T121-V183 HydrophobicContact CG2-CG1 4.19Å; T121-V183 HydrophobicContact CG2-CG2 3.99Å; T121-G246 CarbonylContact O-C 3.52Å; T121-G246 WeakPolarHBondContact O-CA 3.46Å; T121-K247 PolarHBondContact N-O 3.22Å; T121-K247 PolarHBondContact O-N 3.39Å; T121-K247 WeakPolarHBondContact OG1-CB 3.49Å; T121-K247 PolarHBondContact OG1-O 3.41Å; T121-Y249 HydrophobicContact CG2-CD2 3.86Å; T121-Y249 HydrophobicContact CG2-CE2 3.64Å |
| 122 | L | 90.8 | Very high | 85.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.1 | 176.1 | -55.4 | 170.9 | 0 | 0 | 0 | 109.2 | V70 L120 L138 W168 Q181 V182 F184 I245 | V70-L122 HydrophobicContact CG2-CD2 4.19Å; L120-L122 HydrophobicContact CD1-CD2 4.18Å; L120-L122 HydrophobicContact CD2-CD1 4.42Å; L120-L122 HydrophobicContact CD2-CD2 4.05Å; L120-L122 HydrophobicContact CD2-CG 4.33Å; L120-L122 HydrophobicContact CG-CD2 4.04Å; L120-L122 HydrophobicContact CG-CG 4.28Å; L122-L138 HydrophobicContact CD1-CD1 4.04Å; L122-L138 HydrophobicContact CD2-CD1 4.06Å; L122-W168 HydrophobicContact CB-CH2 3.57Å; L122-W168 HydrophobicContact CB-CZ2 3.51Å; L122-W168 HydrophobicContact CB-CZ3 4.26Å; L122-W168 HydrophobicContact CD1-CD2 3.57Å; L122-W168 HydrophobicContact CD1-CE3 3.33Å; L122-W168 HydrophobicContact CD1-CG 4.36Å; L122-W168 HydrophobicContact CD1-CH2 3.58Å; L122-W168 HydrophobicContact CD1-CZ2 3.84Å; L122-W168 HydrophobicContact CD1-CZ3 3.35Å; L122-W168 HydrophobicContact CD2-CH2 4.37Å; L122-W168 HydrophobicContact CD2-CZ3 4.42Å; L122-W168 HydrophobicContact CG-CH2 4.02Å; L122-W168 HydrophobicContact CG-CZ2 4.26Å; L122-W168 HydrophobicContact CG-CZ3 4.2Å; L122-Q181 WeakPolarHBondContact O-CA 3.48Å; L122-V182 HydrophobicContact CB-CG2 3.77Å; L122-V182 HydrophobicContact CD1-CG2 4.46Å; L122-V182 HydrophobicContact CG-CG2 4.48Å; L122-V182 PolarHBondContact N-O 2.89Å; L122-V182 PolarHBondContact O-N 2.84Å; L122-F184 HydrophobicContact CD1-CD2 3.96Å; L122-F184 HydrophobicContact CD1-CE2 3.64Å; L122-F184 HydrophobicContact CG-CD2 4.45Å; L122-F184 HydrophobicContact CG-CE2 4.4Å; L122-I245 WeakPolarHBondContact CA-O 3.48Å |
| 123 | D | 90.3 | Very high | 84.5 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 104.9 | -175.4 | -172.6 | 16.1 | 0 | 0 | 0 | 111 | V125 Q181 A244 I245 | D123-V125 PolarHBondContact O-N 2.95Å; D123-Q181 HydrophobicContact CB-CG 4.33Å; D123-A244 CarbonylContact O-C 3.55Å; D123-A244 VanDerWaalsContact O-CA 3.3Å; D123-A244 WeakPolarHBondContact O-CA 3.28Å; D123-I245 PolarHBondContact N-O 2.87Å; D123-I245 PolarHBondContact O-N 3.24Å |
| 124 | P | 88.8 | Confident | 84 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121.1 | 179.5 | -17.5 | 30.4 | 0 | 0 | 0 | 112.6 | F128 C179 | P124-F128 HydrophobicContact CB-CD1 4.47Å; P124-F128 HydrophobicContact CB-CD2 3.84Å; P124-F128 HydrophobicContact CB-CE2 4.03Å; P124-F128 HydrophobicContact CB-CG 4.08Å; P124-F128 HydrophobicContact CB-CZ 4.37Å; P124-C179 HydrophobicContact CB-CB 4.17Å |
| 125 | V | 83.4 | Confident | 83.6 | Confident | 46 Ų | 46 | 41.6 Ų | 41.6 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -86.5 | 134.4 | -177.7 | -175 | 0 | 0 | 0 | 0 | 110.7 | D123 P127 F128 G243 I245 | D123-V125 PolarHBondContact O-N 2.95Å; V125-P127 CarbonylContact O-C 3.56Å; V125-P127 VanDerWaalsContact O-O 3.14Å; V125-F128 VanDerWaalsContact O-CA 3.22Å; V125-F128 WeakPolarHBondContact O-CA 3.4Å; V125-F128 WeakPolarHBondContact O-CB 3.29Å; V125-F128 PolarHBondContact O-N 3.03Å; V125-G243 PolarHBondContact N-O 3.08Å; V125-I245 HydrophobicContact CG2-CD1 3.54Å; V125-I245 HydrophobicContact CG2-CG1 3.65Å |
| 126 | R | 80 | Confident | 83.2 | Confident | 184 Ų | 184 | 41.6 Ų | 41.6 | 69% | 0.694 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -86.1 | 136.7 | 177.2 | -59.9 | -175.6 | -169.4 | -158.8 | -0.2 | 111.6 | ||
| 127 | P | 78.4 | Confident | 82.9 | Confident | 72 Ų | 72 | 42.7 Ų | 42.7 | 47% | 0.468 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -71.1 | 135 | -5.6 | 30.5 | -33.3 | 0 | 0 | 0 | 110.1 | V125 Y241 K242 | V125-P127 CarbonylContact O-C 3.56Å; V125-P127 VanDerWaalsContact O-O 3.14Å; P127-Y241 HydrophobicContact CG-CE2 4Å; P127-K242 HydrophobicContact CG-CG 4.3Å; P127-K242 WeakPolarHBondContact O-CA 3.49Å; P127-K242 VanDerWaalsContact O-CG 3.24Å; P127-K242 WeakPolarHBondContact O-CG 3.2Å |
| 128 | F | 78.6 | Confident | 82.7 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 130.4 | -178.4 | -178.5 | -116.1 | 0 | 0 | 0 | 110.3 | P124 V125 Y131 C173 V174 G243 A244 | P124-F128 HydrophobicContact CB-CD1 4.47Å; P124-F128 HydrophobicContact CB-CD2 3.84Å; P124-F128 HydrophobicContact CB-CE2 4.03Å; P124-F128 HydrophobicContact CB-CG 4.08Å; P124-F128 HydrophobicContact CB-CZ 4.37Å; V125-F128 VanDerWaalsContact O-CA 3.22Å; V125-F128 WeakPolarHBondContact O-CA 3.4Å; V125-F128 WeakPolarHBondContact O-CB 3.29Å; V125-F128 PolarHBondContact O-N 3.03Å; F128-Y131 HydrophobicContact CE1-CE1 4.41Å; F128-Y131 HydrophobicContact CE2-CD1 4.14Å; F128-Y131 HydrophobicContact CE2-CE1 4.24Å; F128-Y131 AromaticContact CZ-CD1 3.52Å; F128-Y131 HydrophobicContact CZ-CD1 3.52Å; F128-Y131 AromaticContact CZ-CE1 3.47Å; F128-Y131 HydrophobicContact CZ-CE1 3.47Å; F128-Y131 VanDerWaalsContact CZ-CE1 3.47Å; F128-C173 HydrophobicContact CD1-CB 4.13Å; F128-C173 WeakPolarHBondContact CD1-SG 3.36Å; F128-C173 HydrophobicContact CE1-CB 4.26Å; F128-V174 HydrophobicContact CD1-CG2 3.89Å; F128-V174 HydrophobicContact CE1-CG2 3.99Å; F128-G243 WeakPolarHBondContact CD2-O 3.33Å; F128-A244 HydrophobicContact CE2-CB 4.15Å |
| 129 | G | 72.6 | Confident | 82.5 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 40% | 0.402 | 21% | 0.212 | S | C | . | . | trans | -85.7 | -15 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K242 | G129-K242 PolarHBondContact N-O 2.91Š| ||
| 130 | G | 71.8 | Confident | 82.3 | Confident | 9 Ų | 9 | 38.5 Ų | 38.5 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | trans | 82.6 | 167.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 131 | Y | 72.1 | Confident | 82.1 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -145.5 | -178.5 | 173.1 | 51.3 | -117.4 | 0 | 0 | 0 | 109.9 | F128 I135 W168 N169 S170 | F128-Y131 HydrophobicContact CE1-CE1 4.41Å; F128-Y131 HydrophobicContact CE2-CD1 4.14Å; F128-Y131 HydrophobicContact CE2-CE1 4.24Å; F128-Y131 AromaticContact CZ-CD1 3.52Å; F128-Y131 HydrophobicContact CZ-CD1 3.52Å; F128-Y131 AromaticContact CZ-CE1 3.47Å; F128-Y131 HydrophobicContact CZ-CE1 3.47Å; F128-Y131 VanDerWaalsContact CZ-CE1 3.47Å; Y131-I135 HydrophobicContact CD1-CD1 4.28Å; Y131-I135 HydrophobicContact CD2-CD1 3.17Å; Y131-I135 HydrophobicContact CD2-CG1 3.95Å; Y131-I135 HydrophobicContact CE2-CD1 3.48Å; Y131-I135 VanDerWaalsContact CE2-CD1 3.48Å; Y131-I135 HydrophobicContact CE2-CG1 4.12Å; Y131-I135 HydrophobicContact CG-CD1 3.65Å; Y131-W168 HydrophobicContact CD1-CH2 4.24Å; Y131-W168 HydrophobicContact CD1-CZ3 4.14Å; Y131-W168 HydrophobicContact CE1-CD2 4.07Å; Y131-W168 AromaticContact CE1-CE2 3.92Å; Y131-W168 AromaticContact CE1-CE3 3.81Å; Y131-W168 HydrophobicContact CE1-CE3 3.81Å; Y131-W168 AromaticContact CE1-CH2 3.32Å; Y131-W168 HydrophobicContact CE1-CH2 3.32Å; Y131-W168 AromaticContact CE1-CZ2 3.57Å; Y131-W168 HydrophobicContact CE1-CZ2 3.57Å; Y131-W168 AromaticContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE1-CZ3 3.42Å; Y131-W168 VanDerWaalsContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE2-CD2 4.21Å; Y131-W168 HydrophobicContact CE2-CE3 4.12Å; Y131-W168 HydrophobicContact CE2-CZ3 4.5Å; Y131-W168 AromaticContact CZ-CD2 3.49Å; Y131-W168 VanDerWaalsContact CZ-CD2 3.49Å; Y131-W168 AromaticContact CZ-CE2 3.57Å; Y131-W168 AromaticContact CZ-CE3 3.53Å; Y131-W168 AromaticContact CZ-CH2 3.81Å; Y131-W168 AromaticContact CZ-CZ2 3.74Å; Y131-W168 AromaticContact CZ-CZ3 3.69Å; Y131-W168 VanDerWaalsContact OH-CZ2 3.28Å; Y131-W168 WeakPolarHBondContact OH-CZ2 3.39Å; Y131-W168 PolarHBondContact OH-NE1 3.32Å; Y131-N169 PolarHBondContact OH-O 3.27Å; Y131-S170 WeakPolarHBondContact CD2-OG 3.38Å; Y131-S170 VanDerWaalsContact CE2-N 3.28Å; Y131-S170 PolarHBondContact N-OG 2.95Å; Y131-S170 PolarHBondContact O-OG 2.78Å; Y131-S170 VanDerWaalsContact O-OG 3.1Å; Y131-S170 WeakPolarHBondContact OH-CA 3.44Å; Y131-S170 PolarHBondContact OH-N 3.39Å; Y131-S170 VanDerWaalsContact OH-N 3.14Å | ||
| 132 | S | 67 | Low | 82 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | trans | -63.5 | 134.3 | 178.8 | -158.5 | 0 | 0 | 0 | 0 | 112.3 | I135 | S132-I135 WeakPolarHBondContact O-CG1 3.14Š| ||
| 133 | R | 75.6 | Confident | 81.9 | Confident | 132 Ų | 132 | 43.4 Ų | 43.4 | 50% | 0.498 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -64.6 | 150.9 | 179.1 | -61.9 | 179 | 178.1 | -170.2 | -10.5 | 111.3 | D171 | R133-D171 VanDerWaalsContact CD-OD2 3.3Å; R133-D171 WeakPolarHBondContact CD-OD2 3.41Å; R133-D171 VanDerWaalsContact CZ-CG 3.4Å; R133-D171 IonicContact CZ-OD1 3.71Å; R133-D171 IonicContact CZ-OD2 3.29Å; R133-D171 IonicContact NE-OD1 3.29Å; R133-D171 PolarHBondContact NE-OD1 2.92Å; R133-D171 IonicContact NE-OD2 2.6Å; R133-D171 PolarHBondContact NE-OD2 3.32Å; R133-D171 IonicContact NH1-OD2 3.29Å; R133-D171 VanDerWaalsContact NH2-CG 3.3Å; R133-D171 IonicContact NH2-OD1 2.75Å; R133-D171 PolarHBondContact NH2-OD1 2.56Å; R133-D171 IonicContact NH2-OD2 3.07Å; R133-D171 PolarHBondContact NH2-OD2 2.93Å |
| 134 | N | 79.1 | Confident | 81.8 | Confident | 75 Ų | 75 | 40.2 Ų | 40.2 | 40% | 0.401 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 65.8 | 42.8 | 174.2 | -53.3 | -29.6 | 0 | 0 | 0 | 114.6 | T136 W168 Y218 | N134-T136 PolarHBondContact O-N 3.17Å; N134-W168 PolarHBondContact N-O 3.4Å; N134-Y218 HydrophobicContact CB-CD2 4.09Å; N134-Y218 HydrophobicContact CB-CE2 4.12Å; N134-Y218 WeakPolarHBondContact O-CD2 3.22Å |
| 135 | I | 81.1 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 127 | 175 | -58.2 | 179.3 | 0 | 0 | 0 | 109.3 | V70 Y131 S132 L138 L164 S167 W168 V220 | V70-I135 HydrophobicContact CG1-CD1 4.49Å; Y131-I135 HydrophobicContact CD1-CD1 4.28Å; Y131-I135 HydrophobicContact CD2-CD1 3.17Å; Y131-I135 HydrophobicContact CD2-CG1 3.95Å; Y131-I135 HydrophobicContact CE2-CD1 3.48Å; Y131-I135 VanDerWaalsContact CE2-CD1 3.48Å; Y131-I135 HydrophobicContact CE2-CG1 4.12Å; Y131-I135 HydrophobicContact CG-CD1 3.65Å; S132-I135 WeakPolarHBondContact O-CG1 3.14Å; I135-L138 HydrophobicContact CG2-CD2 3.66Å; I135-L138 HydrophobicContact CG2-CG 4.26Å; I135-L164 HydrophobicContact CG2-CD1 4.28Å; I135-S167 CarbonylContact O-C 3.5Å; I135-S167 VanDerWaalsContact O-CA 3.29Å; I135-S167 WeakPolarHBondContact O-CA 3.47Å; I135-W168 HydrophobicContact CB-CB 4.38Å; I135-W168 HydrophobicContact CD1-CE3 3.99Å; I135-W168 HydrophobicContact CD1-CZ3 4.39Å; I135-W168 PolarHBondContact N-O 3.18Å; I135-W168 PolarHBondContact O-N 3.12Å; I135-V220 HydrophobicContact CD1-CG2 3.55Å; I135-V220 HydrophobicContact CG1-CG2 3.88Å; I135-V220 HydrophobicContact CG2-CG2 4.17Å |
| 136 | T | 83.1 | Confident | 81.8 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | -24.1 | 175.9 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | N134 L164 Y218 | N134-T136 PolarHBondContact O-N 3.17Å; T136-L164 PolarHBondContact O-N 2.84Å; T136-Y218 PolarHBondContact N-O 2.91Å |
| 137 | H | 85.5 | Confident | 82.1 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 13% | 0.134 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130 | -177.7 | -62 | 77.2 | 0 | 0 | 0 | 110.4 | F162 W217 Y218 K219 V220 | H137-F162 VanDerWaalsContact CA-O 3.32Å; H137-F162 WeakPolarHBondContact CA-O 3.16Å; H137-W217 AromaticContact CE1-CD1 3.48Å; H137-W217 VanDerWaalsContact CE1-CD1 3.48Å; H137-W217 AromaticContact CE1-CG 3.71Å; H137-W217 AromaticContact CE1-NE1 3.93Å; H137-W217 AromaticContact ND1-CD1 3.93Å; H137-W217 AromaticContact ND1-CG 3.89Å; H137-Y218 PolarHBondContact N-O 3.28Å; H137-Y218 VanDerWaalsContact O-O 3.08Å; H137-K219 WeakPolarHBondContact O-CA 2.93Å; H137-V220 PolarHBondContact O-N 3.46Å; H137-V220 VanDerWaalsContact O-N 3.15Å |
| 138 | L | 87.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.3 | 169.8 | -60 | 171.6 | 0 | 0 | 0 | 108.2 | V70 L120 L122 I135 T161 F162 L164 V220 T222 | V70-L138 HydrophobicContact CG1-CD2 3.97Å; V70-L138 HydrophobicContact CG2-CD1 4.37Å; V70-L138 HydrophobicContact CG2-CD2 4.15Å; L120-L138 HydrophobicContact CD2-CD1 3.75Å; L122-L138 HydrophobicContact CD1-CD1 4.04Å; L122-L138 HydrophobicContact CD2-CD1 4.06Å; I135-L138 HydrophobicContact CG2-CD2 3.66Å; I135-L138 HydrophobicContact CG2-CG 4.26Å; L138-T161 CarbonylContact O-C 3.58Å; L138-T161 WeakPolarHBondContact O-CA 3.39Å; L138-F162 HydrophobicContact CB-CB 4.2Å; L138-F162 HydrophobicContact CB-CD2 4.08Å; L138-F162 PolarHBondContact N-O 3.21Å; L138-F162 PolarHBondContact O-N 2.87Å; L138-L164 HydrophobicContact CD1-CD2 4.42Å; L138-V220 HydrophobicContact CD2-CB 4.01Å; L138-T222 HydrophobicContact CB-CG2 4.32Å; L138-T222 HydrophobicContact CD2-CG2 4.33Å |
| 139 | Y | 88.2 | Confident | 82.8 | Confident | 34 Ų | 34 | 34.7 Ų | 34.7 | 13% | 0.133 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136 | -177.9 | -176.8 | -88.8 | 0 | 0 | 0 | 110.2 | T141 N159 I160 T161 V220 F221 T222 | Y139-T141 WeakPolarHBondContact CE1-OG1 3.37Å; Y139-N159 HydrophobicContact CE2-CB 4.25Å; Y139-N159 PolarHBondContact OH-ND2 3.19Å; Y139-N159 PolarHBondContact OH-OD1 3.21Å; Y139-I160 CarbonylContact C-O 3.55Å; Y139-I160 WeakPolarHBondContact CA-O 3.07Å; Y139-T161 WeakPolarHBondContact CD2-OG1 3.45Å; Y139-V220 PolarHBondContact N-O 2.9Å; Y139-F221 AromaticContact CD1-CD1 3.36Å; Y139-F221 HydrophobicContact CD1-CD1 3.36Å; Y139-F221 AromaticContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CG 4.22Å; Y139-F221 HydrophobicContact CD1-CZ 4.24Å; Y139-F221 AromaticContact CE1-CD1 3.89Å; Y139-F221 HydrophobicContact CE1-CD1 3.89Å; Y139-F221 AromaticContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CG-CD1 4.32Å; Y139-F221 HydrophobicContact CG-CE1 4.22Å; Y139-F221 CarbonylContact O-C 3.56Å; Y139-F221 VanDerWaalsContact O-CA 3.27Å; Y139-F221 WeakPolarHBondContact O-CA 3.3Å; Y139-T222 PolarHBondContact O-N 2.78Å; Y139-T222 PolarHBondContact O-OG1 3.12Å |
| 140 | A | 89.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 148.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F68 I160 T222 V224 | F68-A140 HydrophobicContact CD1-CB 3.85Å; F68-A140 HydrophobicContact CE1-CB 3.78Å; A140-I160 HydrophobicContact CB-CB 4.26Å; A140-I160 PolarHBondContact N-O 2.96Å; A140-I160 PolarHBondContact O-N 3.19Å; A140-T222 WeakPolarHBondContact CB-OG1 3.48Å; A140-V224 HydrophobicContact CB-CG2 3.7Å |
| 141 | T | 89.1 | Confident | 84.1 | Confident | 56 Ų | 56 | 39.7 Ų | 39.7 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.4 | 165.4 | -61.4 | 0 | 0 | 0 | 0 | 107.2 | Y139 E157 I158 N159 | Y139-T141 WeakPolarHBondContact CE1-OG1 3.37Å; T141-E157 HydrophobicContact CG2-CB 4.08Å; T141-E157 HydrophobicContact CG2-CG 4.28Å; T141-I158 WeakPolarHBondContact CA-O 3.35Å; T141-N159 WeakPolarHBondContact CG2-OD1 3.16Å; T141-N159 PolarHBondContact OG1-OD1 3.43Å |
| 142 | V | 90.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.7 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 109.6 | L66 V147 I158 I160 V224 | L66-V142 HydrophobicContact CD1-CG1 4.3Å; V142-V147 HydrophobicContact CG2-CG1 4Å; V142-I158 HydrophobicContact CG2-CB 3.69Å; V142-I158 HydrophobicContact CG2-CD1 4.45Å; V142-I158 HydrophobicContact CG2-CG2 4.05Å; V142-I158 PolarHBondContact N-O 3.15Å; V142-I158 PolarHBondContact O-N 3.21Å; V142-I160 HydrophobicContact CB-CD1 4.42Å; V142-I160 HydrophobicContact CG1-CD1 3.67Å; V142-I160 HydrophobicContact CG2-CD1 3.8Å; V142-I160 HydrophobicContact CG2-CG1 4.4Å; V142-V224 HydrophobicContact CG1-CB 3.75Å; V142-V224 HydrophobicContact CG1-CG1 3.67Å; V142-V224 HydrophobicContact CG1-CG2 3.58Å |
| 143 | L | 89.6 | Confident | 85.6 | Confident | 58 Ų | 58 | 48 Ų | 48 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 148.3 | 171.5 | -67.2 | 168.3 | 0 | 0 | 0 | 110.1 | Q145 Q146 E157 | L143-Q145 HydrophobicContact CB-CG 4.02Å; L143-Q145 PolarHBondContact O-N 2.86Å; L143-Q145 VanDerWaalsContact O-N 3.14Å; L143-Q146 HydrophobicContact CB-CG 4.3Å; L143-Q146 WeakPolarHBondContact O-CB 3.14Å; L143-Q146 PolarHBondContact O-N 2.95Å; L143-E157 HydrophobicContact CD2-CG 3.94Å |
| 144 | G | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -50.5 | -39.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q146 V147 G148 L149 A154 E156 | G144-Q146 PolarHBondContact O-N 3.43Å; G144-V147 CarbonylContact O-C 3.48Å; G144-V147 WeakPolarHBondContact O-CG2 3.15Å; G144-V147 PolarHBondContact O-N 3.42Å; G144-V147 VanDerWaalsContact O-N 3.08Å; G144-G148 PolarHBondContact O-N 2.93Å; G144-L149 VanDerWaalsContact O-CB 3.28Å; G144-L149 WeakPolarHBondContact O-CB 3.35Å; G144-L149 PolarHBondContact O-N 3.45Å; G144-A154 PolarHBondContact N-O 2.83Å; G144-E156 PolarHBondContact N-O 2.92Å |
| 145 | Q | 86.9 | Confident | 86.5 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 55% | 0.547 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -59.6 | -32.1 | 177 | 66.8 | 179.7 | -1.5 | 0 | 0 | 113.7 | L143 V147 G148 L149 A154 | L143-Q145 HydrophobicContact CB-CG 4.02Å; L143-Q145 PolarHBondContact O-N 2.86Å; L143-Q145 VanDerWaalsContact O-N 3.14Å; Q145-V147 VanDerWaalsContact C-N 3.29Å; Q145-G148 PolarHBondContact O-N 3.03Å; Q145-G148 VanDerWaalsContact O-N 3.16Å; Q145-L149 WeakPolarHBondContact CA-O 3.14Å; Q145-A154 HydrophobicContact CB-CB 4.14Å; Q145-A154 PolarHBondContact N-O 3.48Å |
| 146 | Q | 84.9 | Confident | 86.9 | Confident | 53 Ų | 53 | 48 Ų | 48 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -73.8 | -26 | 180 | -60.1 | 178.3 | -79.8 | 0 | 0 | 111.3 | L66 L143 G144 G148 V224 | L66-Q146 HydrophobicContact CD2-CB 4.2Å; L66-Q146 WeakPolarHBondContact CD2-O 3.45Å; L143-Q146 HydrophobicContact CB-CG 4.3Å; L143-Q146 WeakPolarHBondContact O-CB 3.14Å; L143-Q146 PolarHBondContact O-N 2.95Å; G144-Q146 PolarHBondContact O-N 3.43Å; Q146-G148 VanDerWaalsContact C-N 3.3Å; Q146-V224 PolarHBondContact NE2-O 2.93Å |
| 147 | V | 87.1 | Confident | 87.2 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -98.1 | 26.5 | 171 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | R62 F63 L66 V142 G144 Q145 L149 I158 | R62-V147 WeakPolarHBondContact CD-O 3.43Å; R62-V147 PolarHBondContact NH1-O 2.8Å; R62-V147 VanDerWaalsContact NH1-O 3.12Å; F63-V147 HydrophobicContact CD1-CG1 3.98Å; F63-V147 HydrophobicContact CE1-CG1 3.64Å; F63-V147 HydrophobicContact CZ-CG1 3.96Å; L66-V147 HydrophobicContact CD1-CG1 3.68Å; V142-V147 HydrophobicContact CG2-CG1 4Å; G144-V147 CarbonylContact O-C 3.48Å; G144-V147 WeakPolarHBondContact O-CG2 3.15Å; G144-V147 PolarHBondContact O-N 3.42Å; G144-V147 VanDerWaalsContact O-N 3.08Å; Q145-V147 VanDerWaalsContact C-N 3.29Å; V147-L149 VanDerWaalsContact C-N 3.27Å; V147-L149 HydrophobicContact CG2-CD1 4.11Å; V147-L149 HydrophobicContact CG2-CG 4.07Å; V147-L149 PolarHBondContact O-N 3.35Å; V147-I158 HydrophobicContact CG2-CD1 3.52Å |
| 148 | G | 83.8 | Confident | 87.5 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 11.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R62 G144 Q145 Q146 | R62-G148 PolarHBondContact NH1-O 2.97Å; G144-G148 PolarHBondContact O-N 2.93Å; Q145-G148 PolarHBondContact O-N 3.03Å; Q145-G148 VanDerWaalsContact O-N 3.16Å; Q146-G148 VanDerWaalsContact C-N 3.3Å |
| 149 | L | 86.6 | Confident | 87.8 | Confident | 21 Ų | 21 | 54.1 Ų | 54.1 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | trans | -72.1 | 146.3 | 173 | -55.6 | 175.2 | 0 | 0 | 0 | 109.7 | G144 Q145 V147 E153 A154 I158 I196 | G144-L149 VanDerWaalsContact O-CB 3.28Å; G144-L149 WeakPolarHBondContact O-CB 3.35Å; G144-L149 PolarHBondContact O-N 3.45Å; Q145-L149 WeakPolarHBondContact CA-O 3.14Å; V147-L149 VanDerWaalsContact C-N 3.27Å; V147-L149 HydrophobicContact CG2-CD1 4.11Å; V147-L149 HydrophobicContact CG2-CG 4.07Å; V147-L149 PolarHBondContact O-N 3.35Å; L149-E153 HydrophobicContact CB-CB 4.15Å; L149-E153 HydrophobicContact CD1-CB 4.26Å; L149-A154 WeakPolarHBondContact O-CB 3.47Å; L149-I158 HydrophobicContact CD1-CD1 4Å; L149-I196 HydrophobicContact CD1-CB 4.48Å; L149-I196 HydrophobicContact CD1-CG1 4.13Å; L149-I196 HydrophobicContact CD1-CG2 3.79Å | ||
| 150 | S | 85.2 | Confident | 88 | Confident | 95 Ų | 95 | 52.5 Ų | 52.5 | 66% | 0.664 | 28% | 0.283 | S | S | * | . | trans | -125.2 | 162.4 | -177.7 | -67.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 151 | G | 86.5 | Confident | 88 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | -136.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A154 | G151-A154 WeakPolarHBondContact O-CB 3.19Š|
| 152 | R | 85 | Confident | 88.1 | Confident | 183 Ų | 183 | 51.2 Ų | 51.2 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -35.9 | -179 | 61.4 | -179 | 178.3 | -179.7 | 3.9 | 111.1 | A154 H155 | R152-A154 PolarHBondContact O-N 2.98Å; R152-H155 PolarHBondContact O-N 2.96Å |
| 153 | E | 85.3 | Confident | 88.1 | Confident | 38 Ų | 38 | 51.9 Ų | 51.9 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -66.5 | -21.1 | 179.8 | -64.3 | 79.3 | -172 | 0 | 0 | 112.2 | L149 H155 E156 | L149-E153 HydrophobicContact CB-CB 4.15Å; L149-E153 HydrophobicContact CD1-CB 4.26Å; E153-H155 PolarHBondContact O-N 3.06Å; E153-E156 PolarHBondContact O-N 2.99Å |
| 154 | A | 85.8 | Confident | 88 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -61.5 | -27.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G144 Q145 L149 G151 R152 | G144-A154 PolarHBondContact N-O 2.83Å; Q145-A154 HydrophobicContact CB-CB 4.14Å; Q145-A154 PolarHBondContact N-O 3.48Å; L149-A154 WeakPolarHBondContact O-CB 3.47Å; G151-A154 WeakPolarHBondContact O-CB 3.19Å; R152-A154 PolarHBondContact O-N 2.98Å |
| 155 | H | 87.9 | Confident | 87.9 | Confident | 149 Ų | 149 | 51.7 Ų | 51.7 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -99.1 | -0.2 | -177.5 | -60.4 | 81.2 | 0 | 0 | 0 | 112.7 | R152 E153 | R152-H155 PolarHBondContact O-N 2.96Å; E153-H155 PolarHBondContact O-N 3.06Å |
| 156 | E | 89.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 50 Ų | 50 | 23% | 0.229 | 28% | 0.277 | C | S | . | . | trans | -77.5 | 139.7 | 177.8 | -68.6 | -173.5 | -157.7 | 0 | 0 | 110.6 | G144 E153 A193 N195 I196 | G144-E156 PolarHBondContact N-O 2.92Å; E153-E156 PolarHBondContact O-N 2.99Å; E156-A193 WeakPolarHBondContact OE2-CB 3.48Å; E156-N195 PolarHBondContact OE1-ND2 3.24Å; E156-N195 VanDerWaalsContact OE1-ND2 3.09Å; E156-I196 HydrophobicContact CB-CD1 3.76Å; E156-I196 HydrophobicContact CG-CD1 4.46Å; E156-I196 WeakPolarHBondContact OE2-CD1 3.33Å; E156-I196 WeakPolarHBondContact OE2-CG1 3.3Å | ||
| 157 | E | 90.8 | Very high | 87.7 | Confident | 133 Ų | 133 | 49.8 Ų | 49.8 | 62% | 0.621 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.1 | 175.5 | -68.6 | -178.3 | 176 | 0 | 0 | 110.3 | T141 L143 | T141-E157 HydrophobicContact CG2-CB 4.08Å; T141-E157 HydrophobicContact CG2-CG 4.28Å; L143-E157 HydrophobicContact CD2-CG 3.94Å |
| 158 | I | 91.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.1 | 179.2 | -61.3 | 165.9 | 0 | 0 | 0 | 107.2 | T141 V142 V147 L149 I160 I190 A192 I196 | T141-I158 WeakPolarHBondContact CA-O 3.35Å; V142-I158 HydrophobicContact CG2-CB 3.69Å; V142-I158 HydrophobicContact CG2-CD1 4.45Å; V142-I158 HydrophobicContact CG2-CG2 4.05Å; V142-I158 PolarHBondContact N-O 3.15Å; V142-I158 PolarHBondContact O-N 3.21Å; V147-I158 HydrophobicContact CG2-CD1 3.52Å; L149-I158 HydrophobicContact CD1-CD1 4Å; I158-I160 HydrophobicContact CG2-CG1 4.33Å; I158-I190 HydrophobicContact CG2-CG2 3.52Å; I158-A192 HydrophobicContact CB-CB 4.47Å; I158-A192 HydrophobicContact CG1-CB 4.02Å; I158-A192 HydrophobicContact CG2-CB 4.29Å; I158-I196 HydrophobicContact CD1-CD1 4.31Å; I158-I196 HydrophobicContact CD1-CG2 4.02Å; I158-I196 HydrophobicContact CG1-CD1 3.94Å; I158-I196 HydrophobicContact CG1-CG2 4.48Å |
| 159 | N | 92.4 | Very high | 87.5 | Confident | 42 Ų | 42 | 51.3 Ų | 51.3 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.1 | 179.3 | -69.5 | -35 | 0 | 0 | 0 | 110 | Y139 T141 I190 T191 | Y139-N159 HydrophobicContact CE2-CB 4.25Å; Y139-N159 PolarHBondContact OH-ND2 3.19Å; Y139-N159 PolarHBondContact OH-OD1 3.21Å; T141-N159 WeakPolarHBondContact CG2-OD1 3.16Å; T141-N159 PolarHBondContact OG1-OD1 3.43Å; N159-I190 CarbonylContact O-C 3.5Å; N159-I190 WeakPolarHBondContact O-CA 3.48Å; N159-T191 PolarHBondContact N-O 2.9Å; N159-T191 PolarHBondContact O-N 2.81Å |
| 160 | I | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.1 | -177.2 | -53.6 | 170.5 | 0 | 0 | 0 | 108.2 | F63 F68 Y139 A140 V142 I158 F162 M188 T189 | F63-I160 HydrophobicContact CD1-CD1 3.87Å; F63-I160 HydrophobicContact CE1-CD1 3.57Å; F63-I160 HydrophobicContact CE1-CG1 4.29Å; F68-I160 HydrophobicContact CE1-CD1 4.15Å; F68-I160 HydrophobicContact CZ-CD1 4.26Å; Y139-I160 CarbonylContact C-O 3.55Å; Y139-I160 WeakPolarHBondContact CA-O 3.07Å; A140-I160 HydrophobicContact CB-CB 4.26Å; A140-I160 PolarHBondContact N-O 2.96Å; A140-I160 PolarHBondContact O-N 3.19Å; V142-I160 HydrophobicContact CB-CD1 4.42Å; V142-I160 HydrophobicContact CG1-CD1 3.67Å; V142-I160 HydrophobicContact CG2-CD1 3.8Å; V142-I160 HydrophobicContact CG2-CG1 4.4Å; I158-I160 HydrophobicContact CG2-CG1 4.33Å; I160-F162 HydrophobicContact CG2-CD2 4.16Å; I160-F162 HydrophobicContact CG2-CE1 4.18Å; I160-F162 HydrophobicContact CG2-CE2 3.57Å; I160-F162 HydrophobicContact CG2-CZ 3.57Å; I160-M188 HydrophobicContact CB-CE 4.43Å; I160-M188 HydrophobicContact CD1-CE 3.98Å; I160-M188 HydrophobicContact CG1-CE 4.13Å; I160-M188 HydrophobicContact CG2-CE 3.47Å; I160-M188 VanDerWaalsContact CG2-CE 3.47Å; I160-M188 HydrophobicContact CG2-CG 3.78Å; I160-M188 HydrophobicContact CG2-SD 4.35Å; I160-T189 CarbonylContact C-O 3.52Å; I160-T189 WeakPolarHBondContact CA-O 3.43Å |
| 161 | T | 91 | Very high | 87 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 17% | 0.172 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.8 | 171.5 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | L138 Y139 M188 T189 | L138-T161 CarbonylContact O-C 3.58Å; L138-T161 WeakPolarHBondContact O-CA 3.39Å; Y139-T161 WeakPolarHBondContact CD2-OG1 3.45Å; T161-M188 CarbonylContact O-C 3.51Å; T161-M188 WeakPolarHBondContact O-CA 3.39Å; T161-T189 PolarHBondContact N-O 3.46Å; T161-T189 PolarHBondContact O-N 2.85Å |
| 162 | F | 91.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.9 | 170.2 | -55.4 | -85.5 | 0 | 0 | 0 | 109.1 | F68 I118 L120 H137 L138 I160 M188 V248 | F68-F162 HydrophobicContact CD1-CE2 4.14Å; F68-F162 AromaticContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CE2 3.89Å; F68-F162 HydrophobicContact CE1-CZ 4.08Å; F68-F162 HydrophobicContact CE2-CZ 4.27Å; F68-F162 HydrophobicContact CZ-CE2 4.19Å; F68-F162 AromaticContact CZ-CZ 3.9Å; F68-F162 HydrophobicContact CZ-CZ 3.9Å; I118-F162 HydrophobicContact CG2-CD1 4.41Å; I118-F162 HydrophobicContact CG2-CE1 4.25Å; L120-F162 HydrophobicContact CD2-CB 4.22Å; L120-F162 HydrophobicContact CD2-CD1 4.35Å; L120-F162 HydrophobicContact CD2-CG 4.18Å; H137-F162 VanDerWaalsContact CA-O 3.32Å; H137-F162 WeakPolarHBondContact CA-O 3.16Å; L138-F162 HydrophobicContact CB-CB 4.2Å; L138-F162 HydrophobicContact CB-CD2 4.08Å; L138-F162 PolarHBondContact N-O 3.21Å; L138-F162 PolarHBondContact O-N 2.87Å; I160-F162 HydrophobicContact CG2-CD2 4.16Å; I160-F162 HydrophobicContact CG2-CE1 4.18Å; I160-F162 HydrophobicContact CG2-CE2 3.57Å; I160-F162 HydrophobicContact CG2-CZ 3.57Å; F162-M188 HydrophobicContact CD1-CB 3.92Å; F162-M188 HydrophobicContact CD1-CG 3.99Å; F162-M188 HydrophobicContact CE1-CB 3.99Å; F162-M188 HydrophobicContact CE1-CE 4.44Å; F162-M188 HydrophobicContact CE1-CG 3.65Å; F162-M188 HydrophobicContact CE1-SD 3.8Å; F162-M188 HydrophobicContact CZ-CE 4.4Å; F162-M188 HydrophobicContact CZ-CG 4.33Å; F162-M188 HydrophobicContact CZ-SD 4.33Å; F162-V248 HydrophobicContact CE1-CG2 3.68Å; F162-V248 HydrophobicContact CZ-CG2 3.6Å |
| 163 | T | 89.8 | Confident | 86.5 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 115.7 | 171.3 | -49.2 | 0 | 0 | 0 | 0 | 109.1 | T186 C187 P208 | T163-T186 WeakPolarHBondContact O-CB 3.3Å; T163-C187 PolarHBondContact N-O 3.34Å; T163-C187 PolarHBondContact O-N 3.45Å; T163-P208 HydrophobicContact CG2-CB 3.4Å; T163-P208 HydrophobicContact CG2-CG 3.61Å |
| 164 | L | 87.7 | Confident | 86.3 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137.7 | -178.6 | -53.9 | -176.3 | 0 | 0 | 0 | 110.2 | L120 I135 T136 L138 V166 W168 F184 T186 | L120-L164 HydrophobicContact CD2-CD2 3.94Å; I135-L164 HydrophobicContact CG2-CD1 4.28Å; T136-L164 PolarHBondContact O-N 2.84Å; L138-L164 HydrophobicContact CD1-CD2 4.42Å; L164-V166 VanDerWaalsContact C-N 3.28Å; L164-V166 WeakPolarHBondContact CB-O 3.47Å; L164-V166 PolarHBondContact O-N 3.25Å; L164-W168 HydrophobicContact CD1-CB 3.88Å; L164-F184 HydrophobicContact CD1-CE2 4.48Å; L164-F184 HydrophobicContact CD2-CB 4.39Å; L164-F184 HydrophobicContact CD2-CD2 4.11Å; L164-F184 HydrophobicContact CD2-CG 4.18Å; L164-T186 HydrophobicContact CD2-CG2 3.52Å |
| 165 | P | 85.4 | Confident | 86.1 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -26.6 | 178.2 | 29.6 | -36.2 | 0 | 0 | 0 | 112.5 | F184 S185 | P165-F184 HydrophobicContact CG-CD1 4.25Å; P165-S185 WeakPolarHBondContact CD-O 3.06Å; P165-S185 WeakPolarHBondContact CG-O 3.43Å |
| 166 | V | 83.8 | Confident | 85.8 | Confident | 80 Ų | 80 | 46.9 Ų | 46.9 | 49% | 0.485 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 149 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | L164 W168 F184 | L164-V166 VanDerWaalsContact C-N 3.28Å; L164-V166 WeakPolarHBondContact CB-O 3.47Å; L164-V166 PolarHBondContact O-N 3.25Å; V166-W168 PolarHBondContact O-N 3.07Å; V166-F184 HydrophobicContact CG2-CD1 4.15Å; V166-F184 HydrophobicContact CG2-CE1 3.58Å |
| 167 | S | 82.6 | Confident | 85.3 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 34% | 0.343 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.6 | -178.6 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | I135 | I135-S167 CarbonylContact O-C 3.5Å; I135-S167 VanDerWaalsContact O-CA 3.29Å; I135-S167 WeakPolarHBondContact O-CA 3.47Å |
| 168 | W | 85.4 | Confident | 84.9 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 136.5 | 176.9 | -173.8 | 40.5 | 0 | 0 | 0 | 111.3 | V70 L122 Y131 N134 I135 L164 V166 V182 F184 A244 | V70-W168 HydrophobicContact CB-CZ3 4.23Å; V70-W168 HydrophobicContact CG1-CZ3 4.04Å; V70-W168 HydrophobicContact CG2-CZ3 4.12Å; L122-W168 HydrophobicContact CB-CH2 3.57Å; L122-W168 HydrophobicContact CB-CZ2 3.51Å; L122-W168 HydrophobicContact CB-CZ3 4.26Å; L122-W168 HydrophobicContact CD1-CD2 3.57Å; L122-W168 HydrophobicContact CD1-CE3 3.33Å; L122-W168 HydrophobicContact CD1-CG 4.36Å; L122-W168 HydrophobicContact CD1-CH2 3.58Å; L122-W168 HydrophobicContact CD1-CZ2 3.84Å; L122-W168 HydrophobicContact CD1-CZ3 3.35Å; L122-W168 HydrophobicContact CD2-CH2 4.37Å; L122-W168 HydrophobicContact CD2-CZ3 4.42Å; L122-W168 HydrophobicContact CG-CH2 4.02Å; L122-W168 HydrophobicContact CG-CZ2 4.26Å; L122-W168 HydrophobicContact CG-CZ3 4.2Å; Y131-W168 HydrophobicContact CD1-CH2 4.24Å; Y131-W168 HydrophobicContact CD1-CZ3 4.14Å; Y131-W168 HydrophobicContact CE1-CD2 4.07Å; Y131-W168 AromaticContact CE1-CE2 3.92Å; Y131-W168 AromaticContact CE1-CE3 3.81Å; Y131-W168 HydrophobicContact CE1-CE3 3.81Å; Y131-W168 AromaticContact CE1-CH2 3.32Å; Y131-W168 HydrophobicContact CE1-CH2 3.32Å; Y131-W168 AromaticContact CE1-CZ2 3.57Å; Y131-W168 HydrophobicContact CE1-CZ2 3.57Å; Y131-W168 AromaticContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE1-CZ3 3.42Å; Y131-W168 VanDerWaalsContact CE1-CZ3 3.42Å; Y131-W168 HydrophobicContact CE2-CD2 4.21Å; Y131-W168 HydrophobicContact CE2-CE3 4.12Å; Y131-W168 HydrophobicContact CE2-CZ3 4.5Å; Y131-W168 AromaticContact CZ-CD2 3.49Å; Y131-W168 VanDerWaalsContact CZ-CD2 3.49Å; Y131-W168 AromaticContact CZ-CE2 3.57Å; Y131-W168 AromaticContact CZ-CE3 3.53Å; Y131-W168 AromaticContact CZ-CH2 3.81Å; Y131-W168 AromaticContact CZ-CZ2 3.74Å; Y131-W168 AromaticContact CZ-CZ3 3.69Å; Y131-W168 VanDerWaalsContact OH-CZ2 3.28Å; Y131-W168 WeakPolarHBondContact OH-CZ2 3.39Å; Y131-W168 PolarHBondContact OH-NE1 3.32Å; N134-W168 PolarHBondContact N-O 3.4Å; I135-W168 HydrophobicContact CB-CB 4.38Å; I135-W168 HydrophobicContact CD1-CE3 3.99Å; I135-W168 HydrophobicContact CD1-CZ3 4.39Å; I135-W168 PolarHBondContact N-O 3.18Å; I135-W168 PolarHBondContact O-N 3.12Å; L164-W168 HydrophobicContact CD1-CB 3.88Å; V166-W168 PolarHBondContact O-N 3.07Å; W168-V182 HydrophobicContact CZ2-CG2 4.28Å; W168-F184 HydrophobicContact CB-CE2 4.3Å; W168-F184 HydrophobicContact CB-CZ 3.9Å; W168-F184 AromaticContact CD1-CZ 3.94Å; W168-F184 HydrophobicContact CG-CE2 4.12Å; W168-F184 AromaticContact CG-CZ 3.98Å; W168-F184 HydrophobicContact CG-CZ 3.98Å; W168-A244 HydrophobicContact CH2-CB 3.54Å; W168-A244 HydrophobicContact CZ2-CB 4.17Å |
| 169 | N | 83.2 | Confident | 84.5 | Confident | 58 Ų | 58 | 46.4 Ų | 46.4 | 31% | 0.31 | 26% | 0.263 | S | S | . | . | trans | -133.7 | 134 | -176.2 | -167.4 | -13.3 | 0 | 0 | 0 | 110.8 | Y131 D171 | Y131-N169 PolarHBondContact OH-O 3.27Å; N169-D171 PolarHBondContact ND2-OD2 3.31Å; N169-D171 WeakPolarHBondContact OD1-CB 3.39Å; N169-D171 PolarHBondContact OD1-N 3.11Å; N169-D171 PolarHBondContact OD1-OD2 3.22Å; N169-D171 VanDerWaalsContact OD1-OD2 3.13Å | ||
| 170 | S | 80.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 4% | 0.035 | 29% | 0.286 | C | S | . | . | trans | -83.3 | -10.2 | 178.3 | 43.8 | 0 | 0 | 0 | 0 | 114.2 | Y131 D172 C173 V174 | Y131-S170 WeakPolarHBondContact CD2-OG 3.38Å; Y131-S170 VanDerWaalsContact CE2-N 3.28Å; Y131-S170 PolarHBondContact N-OG 2.95Å; Y131-S170 PolarHBondContact O-OG 2.78Å; Y131-S170 VanDerWaalsContact O-OG 3.1Å; Y131-S170 WeakPolarHBondContact OH-CA 3.44Å; Y131-S170 PolarHBondContact OH-N 3.39Å; Y131-S170 VanDerWaalsContact OH-N 3.14Å; S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 3.43Å; S170-C173 PolarHBondContact O-N 3.3Å; S170-C173 VanDerWaalsContact O-N 3.16Å; S170-V174 WeakPolarHBondContact O-CG2 3.09Å; S170-V174 PolarHBondContact O-N 3.05Å | ||
| 171 | D | 79.2 | Confident | 84.1 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.2 | -42.1 | -169.5 | -76.8 | -24.5 | 0 | 0 | 0 | 113.3 | R133 N169 C173 V174 L175 | R133-D171 VanDerWaalsContact CD-OD2 3.3Å; R133-D171 WeakPolarHBondContact CD-OD2 3.41Å; R133-D171 VanDerWaalsContact CZ-CG 3.4Å; R133-D171 IonicContact CZ-OD1 3.71Å; R133-D171 IonicContact CZ-OD2 3.29Å; R133-D171 IonicContact NE-OD1 3.29Å; R133-D171 PolarHBondContact NE-OD1 2.92Å; R133-D171 IonicContact NE-OD2 2.6Å; R133-D171 PolarHBondContact NE-OD2 3.32Å; R133-D171 IonicContact NH1-OD2 3.29Å; R133-D171 VanDerWaalsContact NH2-CG 3.3Å; R133-D171 IonicContact NH2-OD1 2.75Å; R133-D171 PolarHBondContact NH2-OD1 2.56Å; R133-D171 IonicContact NH2-OD2 3.07Å; R133-D171 PolarHBondContact NH2-OD2 2.93Å; N169-D171 PolarHBondContact ND2-OD2 3.31Å; N169-D171 WeakPolarHBondContact OD1-CB 3.39Å; N169-D171 PolarHBondContact OD1-N 3.11Å; N169-D171 PolarHBondContact OD1-OD2 3.22Å; N169-D171 VanDerWaalsContact OD1-OD2 3.13Å; D171-C173 PolarHBondContact O-N 3.42Å; D171-V174 PolarHBondContact O-N 3.16Å; D171-L175 HydrophobicContact CB-CD1 4.07Å; D171-L175 WeakPolarHBondContact O-CB 3.39Å; D171-L175 WeakPolarHBondContact O-CG 3.38Å; D171-L175 PolarHBondContact O-N 2.87Å |
| 172 | D | 79.1 | Confident | 84.1 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | -178.1 | -165 | 31.8 | 0 | 0 | 0 | 112.1 | S170 H176 G177 H178 | S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 3.43Å; D172-H176 CarbonylContact O-C 3.59Å; D172-H176 WeakPolarHBondContact O-CA 3.15Å; D172-H176 VanDerWaalsContact O-CB 3.3Å; D172-H176 WeakPolarHBondContact O-CB 3.33Å; D172-H176 PolarHBondContact O-N 3.24Å; D172-H176 IonicContact OD1-CD2 3.56Å; D172-H176 PolarHBondContact OD1-CD2 3.09Å; D172-H176 VanDerWaalsContact OD1-CD2 3.27Å; D172-H176 IonicContact OD1-CG 2.94Å; D172-G177 PolarHBondContact O-N 2.98Å; D172-H178 PolarHBondContact O-N 3.21Å |
| 173 | C | 82.9 | Confident | 84.1 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 10% | 0.095 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 176 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | F128 S170 D171 G177 H178 C179 | F128-C173 HydrophobicContact CD1-CB 4.13Å; F128-C173 WeakPolarHBondContact CD1-SG 3.36Å; F128-C173 HydrophobicContact CE1-CB 4.26Å; S170-C173 PolarHBondContact O-N 3.3Å; S170-C173 VanDerWaalsContact O-N 3.16Å; D171-C173 PolarHBondContact O-N 3.42Å; C173-G177 WeakPolarHBondContact O-CA 3.36Å; C173-G177 PolarHBondContact O-N 3.42Å; C173-G177 VanDerWaalsContact O-N 3.15Å; C173-H178 WeakPolarHBondContact CA-O 3.43Å; C173-C179 VanDerWaalsContact CA-SG 3.57Å; C173-C179 HydrophobicContact CB-CB 3.93Å; C173-C179 WeakPolarHBondContact CB-SG 3.4Å; C173-C179 PolarHBondContact O-SG 2.79Å; C173-C179 WeakPolarHBondContact SG-CB 3.38Å; C173-C179 CovalentContact SG-SG 2.03Å; C173-C179 PolarHBondContact SG-SG 2.81Å |
| 174 | V | 81.1 | Confident | 84.1 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 47% | 0.473 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -76.4 | -43.5 | -178.6 | 177 | 0 | 0 | 0 | 0 | 112.3 | F128 S170 D171 | F128-V174 HydrophobicContact CD1-CG2 3.89Å; F128-V174 HydrophobicContact CE1-CG2 3.99Å; S170-V174 WeakPolarHBondContact O-CG2 3.09Å; S170-V174 PolarHBondContact O-N 3.05Å; D171-V174 PolarHBondContact O-N 3.16Å |
| 175 | L | 81.4 | Confident | 84.3 | Confident | 115 Ų | 115 | 65.2 Ų | 65.2 | 60% | 0.602 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -85.9 | -38 | -174.3 | -67.8 | 162.8 | 0 | 0 | 0 | 112.6 | D171 | D171-L175 HydrophobicContact CB-CD1 4.07Å; D171-L175 WeakPolarHBondContact O-CB 3.39Å; D171-L175 WeakPolarHBondContact O-CG 3.38Å; D171-L175 PolarHBondContact O-N 2.87Å |
| 176 | H | 80.6 | Confident | 84.5 | Confident | 129 Ų | 129 | 63.2 Ų | 63.2 | 60% | 0.597 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -110.1 | -7 | -173.6 | -57 | -62.9 | 0 | 0 | 0 | 113.3 | D172 H178 | D172-H176 CarbonylContact O-C 3.59Å; D172-H176 WeakPolarHBondContact O-CA 3.15Å; D172-H176 VanDerWaalsContact O-CB 3.3Å; D172-H176 WeakPolarHBondContact O-CB 3.33Å; D172-H176 PolarHBondContact O-N 3.24Å; D172-H176 IonicContact OD1-CD2 3.56Å; D172-H176 PolarHBondContact OD1-CD2 3.09Å; D172-H176 VanDerWaalsContact OD1-CD2 3.27Å; D172-H176 IonicContact OD1-CG 2.94Å; H176-H178 PolarHBondContact O-N 2.71Å |
| 177 | G | 79.1 | Confident | 84.9 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | trans | 71.7 | 7.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D172 C173 C179 | D172-G177 PolarHBondContact O-N 2.98Å; C173-G177 WeakPolarHBondContact O-CA 3.36Å; C173-G177 PolarHBondContact O-N 3.42Å; C173-G177 VanDerWaalsContact O-N 3.15Å; G177-C179 VanDerWaalsContact C-N 3.33Å; G177-C179 PolarHBondContact O-N 3.41Å; G177-C179 VanDerWaalsContact O-N 3.08Å | ||
| 178 | H | 83.1 | Confident | 85.3 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 52% | 0.523 | 31% | 0.314 | S | S | . | . | trans | -82.7 | 78.2 | 176.7 | -70.4 | -58 | 0 | 0 | 0 | 110 | D172 C173 H176 E180 | D172-H178 PolarHBondContact O-N 3.21Å; C173-H178 WeakPolarHBondContact CA-O 3.43Å; H176-H178 PolarHBondContact O-N 2.71Å; H178-E180 PolarHBondContact O-N 3.18Å | ||
| 179 | C | 83.1 | Confident | 85.6 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 14% | 0.135 | 32% | 0.322 | C | S | . | . | trans | -96.6 | 75.7 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 109.6 | P124 C173 G177 | P124-C179 HydrophobicContact CB-CB 4.17Å; C173-C179 VanDerWaalsContact CA-SG 3.57Å; C173-C179 HydrophobicContact CB-CB 3.93Å; C173-C179 WeakPolarHBondContact CB-SG 3.4Å; C173-C179 PolarHBondContact O-SG 2.79Å; C173-C179 WeakPolarHBondContact SG-CB 3.38Å; C173-C179 CovalentContact SG-SG 2.03Å; C173-C179 PolarHBondContact SG-SG 2.81Å; G177-C179 VanDerWaalsContact C-N 3.33Å; G177-C179 PolarHBondContact O-N 3.41Å; G177-C179 VanDerWaalsContact O-N 3.08Å | ||
| 180 | E | 86.7 | Confident | 86.1 | Confident | 150 Ų | 150 | 55.6 Ų | 55.6 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | trans | -95.4 | 153.3 | 174.3 | -64.1 | -168.1 | 163.8 | 0 | 0 | 111.1 | H178 | H178-E180 PolarHBondContact O-N 3.18Š| ||
| 181 | Q | 89.6 | Confident | 86.6 | Confident | 104 Ų | 104 | 56.9 Ų | 56.9 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | trans | -67.2 | 134.2 | 174.2 | 179.9 | -178.9 | 66.1 | 0 | 0 | 110 | L122 D123 | L122-Q181 WeakPolarHBondContact O-CA 3.48Å; D123-Q181 HydrophobicContact CB-CG 4.33Å | ||
| 182 | V | 89.9 | Confident | 87.2 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 148.5 | 174 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | T121 L122 W168 F184 | T121-V182 CarbonylContact C-O 3.5Å; T121-V182 VanDerWaalsContact CA-O 3.28Å; T121-V182 WeakPolarHBondContact CA-O 3.4Å; L122-V182 HydrophobicContact CB-CG2 3.77Å; L122-V182 HydrophobicContact CD1-CG2 4.46Å; L122-V182 HydrophobicContact CG-CG2 4.48Å; L122-V182 PolarHBondContact N-O 2.89Å; L122-V182 PolarHBondContact O-N 2.84Å; W168-V182 HydrophobicContact CZ2-CG2 4.28Å; V182-F184 HydrophobicContact CB-CE2 4.21Å; V182-F184 HydrophobicContact CB-CZ 4.42Å; V182-F184 HydrophobicContact CG2-CD2 4.35Å; V182-F184 HydrophobicContact CG2-CE2 3.54Å; V182-F184 HydrophobicContact CG2-CZ 4.06Å |
| 183 | V | 92.4 | Very high | 87.8 | Confident | 92 Ų | 92 | 52.8 Ų | 52.8 | 56% | 0.558 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.9 | -177.9 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | T119 T121 | T119-V183 HydrophobicContact CG2-CG1 3.67Å; T121-V183 HydrophobicContact CG2-CG1 4.19Å; T121-V183 HydrophobicContact CG2-CG2 3.99Å |
| 184 | F | 90.1 | Very high | 87.9 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.4 | 178.2 | -62.7 | -73.9 | 0 | 0 | 0 | 110.9 | T119 L120 L122 L164 P165 V166 W168 V182 T186 | T119-F184 CarbonylContact C-O 3.55Å; T119-F184 WeakPolarHBondContact CA-O 3.25Å; L120-F184 PolarHBondContact N-O 3.39Å; L120-F184 PolarHBondContact O-N 3.39Å; L122-F184 HydrophobicContact CD1-CD2 3.96Å; L122-F184 HydrophobicContact CD1-CE2 3.64Å; L122-F184 HydrophobicContact CG-CD2 4.45Å; L122-F184 HydrophobicContact CG-CE2 4.4Å; L164-F184 HydrophobicContact CD1-CE2 4.48Å; L164-F184 HydrophobicContact CD2-CB 4.39Å; L164-F184 HydrophobicContact CD2-CD2 4.11Å; L164-F184 HydrophobicContact CD2-CG 4.18Å; P165-F184 HydrophobicContact CG-CD1 4.25Å; V166-F184 HydrophobicContact CG2-CD1 4.15Å; V166-F184 HydrophobicContact CG2-CE1 3.58Å; W168-F184 HydrophobicContact CB-CE2 4.3Å; W168-F184 HydrophobicContact CB-CZ 3.9Å; W168-F184 AromaticContact CD1-CZ 3.94Å; W168-F184 HydrophobicContact CG-CE2 4.12Å; W168-F184 AromaticContact CG-CZ 3.98Å; W168-F184 HydrophobicContact CG-CZ 3.98Å; V182-F184 HydrophobicContact CB-CE2 4.21Å; V182-F184 HydrophobicContact CB-CZ 4.42Å; V182-F184 HydrophobicContact CG2-CD2 4.35Å; V182-F184 HydrophobicContact CG2-CE2 3.54Å; V182-F184 HydrophobicContact CG2-CZ 4.06Å; F184-T186 HydrophobicContact CB-CG2 3.33Å; F184-T186 HydrophobicContact CG-CG2 4.35Å |
| 185 | S | 91 | Very high | 88 | Confident | 80 Ų | 80 | 54.4 Ų | 54.4 | 56% | 0.559 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 104.5 | 159.5 | -169.3 | 0 | 0 | 0 | 0 | 107.3 | P165 | P165-S185 WeakPolarHBondContact CD-O 3.06Å; P165-S185 WeakPolarHBondContact CG-O 3.43Å |
| 186 | T | 90.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 156.6 | -169 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | I118 L120 T163 L164 F184 | I118-T186 PolarHBondContact N-O 3.24Å; I118-T186 PolarHBondContact O-N 2.04Å; I118-T186 PolarHBondContact O-OG1 3.13Å; L120-T186 HydrophobicContact CB-CG2 3.91Å; L120-T186 HydrophobicContact CD2-CG2 4.19Å; T163-T186 WeakPolarHBondContact O-CB 3.3Å; L164-T186 HydrophobicContact CD2-CG2 3.52Å; F184-T186 HydrophobicContact CB-CG2 3.33Å; F184-T186 HydrophobicContact CG-CG2 4.35Å |
| 187 | C | 90.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 110.4 | 167.4 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | T163 C206 P208 | T163-C187 PolarHBondContact N-O 3.34Å; T163-C187 PolarHBondContact O-N 3.45Å; C187-C206 WeakPolarHBondContact CA-SG 3.37Å; C187-C206 HydrophobicContact CB-CB 3.92Å; C187-C206 WeakPolarHBondContact CB-SG 3.46Å; C187-C206 VanDerWaalsContact SG-C 3.53Å; C187-C206 WeakPolarHBondContact SG-CB 3.19Å; C187-C206 PolarHBondContact SG-O 2.8Å; C187-C206 CovalentContact SG-SG 2.04Å; C187-C206 PolarHBondContact SG-SG 3.38Å; C187-P208 HydrophobicContact CB-CB 4.02Å; C187-P208 HydrophobicContact CB-CG 4.35Å |
| 188 | M | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.9 | 177.3 | 178.3 | -172.5 | 177.6 | 0 | 0 | 109.2 | F63 S115 V116 I118 I160 T161 F162 I190 | F63-M188 HydrophobicContact CB-CE 4.48Å; F63-M188 HydrophobicContact CD1-CE 3.41Å; F63-M188 VanDerWaalsContact CD1-CE 3.41Å; F63-M188 HydrophobicContact CD2-CE 4.35Å; F63-M188 HydrophobicContact CE1-CE 3.57Å; F63-M188 HydrophobicContact CE2-CE 4.47Å; F63-M188 HydrophobicContact CG-CE 3.83Å; F63-M188 HydrophobicContact CZ-CE 4.11Å; S115-M188 CarbonylContact C-O 3.35Å; S115-M188 WeakPolarHBondContact CA-O 3.45Å; V116-M188 PolarHBondContact N-O 3.45Å; V116-M188 PolarHBondContact O-N 3.3Å; I118-M188 HydrophobicContact CB-CB 4.47Å; I118-M188 HydrophobicContact CD1-SD 4.04Å; I118-M188 HydrophobicContact CG2-CB 3.57Å; I118-M188 HydrophobicContact CG2-CG 4.41Å; I118-M188 HydrophobicContact CG2-SD 4.12Å; I160-M188 HydrophobicContact CB-CE 4.43Å; I160-M188 HydrophobicContact CD1-CE 3.98Å; I160-M188 HydrophobicContact CG1-CE 4.13Å; I160-M188 HydrophobicContact CG2-CE 3.47Å; I160-M188 VanDerWaalsContact CG2-CE 3.47Å; I160-M188 HydrophobicContact CG2-CG 3.78Å; I160-M188 HydrophobicContact CG2-SD 4.35Å; T161-M188 CarbonylContact O-C 3.51Å; T161-M188 WeakPolarHBondContact O-CA 3.39Å; F162-M188 HydrophobicContact CD1-CB 3.92Å; F162-M188 HydrophobicContact CD1-CG 3.99Å; F162-M188 HydrophobicContact CE1-CB 3.99Å; F162-M188 HydrophobicContact CE1-CE 4.44Å; F162-M188 HydrophobicContact CE1-CG 3.65Å; F162-M188 HydrophobicContact CE1-SD 3.8Å; F162-M188 HydrophobicContact CZ-CE 4.4Å; F162-M188 HydrophobicContact CZ-CG 4.33Å; F162-M188 HydrophobicContact CZ-SD 4.33Å; M188-I190 HydrophobicContact CE-CD1 3.79Å; M188-I190 HydrophobicContact CE-CG1 3.72Å; M188-I190 HydrophobicContact CG-CG1 4.25Å; M188-I190 HydrophobicContact SD-CD1 4.38Å; M188-I190 HydrophobicContact SD-CG1 4.4Å |
| 189 | T | 91.8 | Very high | 88.7 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.9 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | N113 I114 I160 T161 | N113-T189 HydrophobicContact CB-CG2 4.33Å; I114-T189 CarbonylContact O-C 3.58Å; I114-T189 WeakPolarHBondContact O-CA 3.44Å; I160-T189 CarbonylContact C-O 3.52Å; I160-T189 WeakPolarHBondContact CA-O 3.43Å; T161-T189 PolarHBondContact N-O 3.46Å; T161-T189 PolarHBondContact O-N 2.85Å |
| 190 | I | 93 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.7 | 178 | -55.1 | 172.6 | 0 | 0 | 0 | 107.6 | F59 L60 F63 N113 I114 I158 N159 M188 F197 | F59-I190 HydrophobicContact CE1-CD1 3.95Å; L60-I190 HydrophobicContact CD2-CD1 4.28Å; F63-I190 HydrophobicContact CE2-CD1 4.04Å; F63-I190 HydrophobicContact CZ-CD1 3.86Å; N113-I190 CarbonylContact C-O 3.52Å; N113-I190 WeakPolarHBondContact CA-O 3.32Å; I114-I190 PolarHBondContact N-O 2.95Å; I114-I190 PolarHBondContact O-N 3.27Å; I158-I190 HydrophobicContact CG2-CG2 3.52Å; N159-I190 CarbonylContact O-C 3.5Å; N159-I190 WeakPolarHBondContact O-CA 3.48Å; M188-I190 HydrophobicContact CE-CD1 3.79Å; M188-I190 HydrophobicContact CE-CG1 3.72Å; M188-I190 HydrophobicContact CG-CG1 4.25Å; M188-I190 HydrophobicContact SD-CD1 4.38Å; M188-I190 HydrophobicContact SD-CG1 4.4Å; I190-F197 HydrophobicContact CB-CE1 4.02Å; I190-F197 HydrophobicContact CB-CZ 4.3Å; I190-F197 HydrophobicContact CG2-CE1 3.67Å; I190-F197 HydrophobicContact CG2-CZ 3.83Å |
| 191 | T | 92 | Very high | 87.8 | Confident | 31 Ų | 31 | 41 Ų | 41 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.8 | 178.7 | -56.9 | 0 | 0 | 0 | 0 | 108.7 | P111 I112 N113 N159 | P111-T191 HydrophobicContact CB-CG2 4.05Å; I112-T191 WeakPolarHBondContact O-CA 3.42Å; N113-T191 WeakPolarHBondContact OD1-CG2 3.45Å; N113-T191 PolarHBondContact OD1-OG1 3.49Å; N159-T191 PolarHBondContact N-O 2.9Å; N159-T191 PolarHBondContact O-N 2.81Å |
| 192 | A | 91.8 | Very high | 87.4 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 174.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P111 I112 I158 I196 F197 | P111-A192 CarbonylContact C-O 3.55Å; P111-A192 WeakPolarHBondContact CA-O 3.46Å; I112-A192 PolarHBondContact N-O 3.21Å; I112-A192 PolarHBondContact O-N 2.97Å; I112-A192 VanDerWaalsContact O-N 3.16Å; I158-A192 HydrophobicContact CB-CB 4.47Å; I158-A192 HydrophobicContact CG1-CB 4.02Å; I158-A192 HydrophobicContact CG2-CB 4.29Å; A192-I196 HydrophobicContact CB-CB 4.29Å; A192-I196 HydrophobicContact CB-CD1 3.68Å; A192-I196 HydrophobicContact CB-CG2 4.34Å; A192-F197 HydrophobicContact CB-CE2 3.75Å; A192-F197 HydrophobicContact CB-CZ 3.83Å |
| 193 | A | 90.1 | Very high | 87.1 | Confident | 31 Ų | 31 | 37.7 Ų | 37.7 | 26% | 0.256 | 23% | 0.229 | S | C | . | . | trans | -65.8 | 151.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E156 N195 I196 F197 | E156-A193 WeakPolarHBondContact OE2-CB 3.48Å; A193-N195 WeakPolarHBondContact CB-OD1 3.45Å; A193-N195 PolarHBondContact O-N 2.9Å; A193-I196 HydrophobicContact CB-CD1 4.5Å; A193-I196 WeakPolarHBondContact O-CB 3.4Å; A193-I196 PolarHBondContact O-N 3.09Å; A193-I196 VanDerWaalsContact O-N 3.13Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å | ||
| 194 | S | 85.4 | Confident | 86.7 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 40% | 0.399 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -64.1 | -26.5 | -172.1 | 59.6 | 0 | 0 | 0 | 0 | 114 | I196 F197 | S194-I196 VanDerWaalsContact C-N 3.27Å; S194-I196 PolarHBondContact O-N 2.84Å; S194-F197 PolarHBondContact O-N 2.9Å |
| 195 | N | 83.1 | Confident | 86.4 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -70 | -17.7 | 177.5 | 58.5 | -48 | 0 | 0 | 0 | 114 | E156 A193 | E156-N195 PolarHBondContact OE1-ND2 3.24Å; E156-N195 VanDerWaalsContact OE1-ND2 3.09Å; A193-N195 WeakPolarHBondContact CB-OD1 3.45Å; A193-N195 PolarHBondContact O-N 2.9Å |
| 196 | I | 86.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.046 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -75.8 | -30 | 176.8 | -71.1 | 168.3 | 0 | 0 | 0 | 111.4 | F59 L149 E156 I158 A192 A193 S194 | F59-I196 HydrophobicContact CE2-CG2 4.07Å; F59-I196 HydrophobicContact CZ-CG2 4.22Å; L149-I196 HydrophobicContact CD1-CB 4.48Å; L149-I196 HydrophobicContact CD1-CG1 4.13Å; L149-I196 HydrophobicContact CD1-CG2 3.79Å; E156-I196 HydrophobicContact CB-CD1 3.76Å; E156-I196 HydrophobicContact CG-CD1 4.46Å; E156-I196 WeakPolarHBondContact OE2-CD1 3.33Å; E156-I196 WeakPolarHBondContact OE2-CG1 3.3Å; I158-I196 HydrophobicContact CD1-CD1 4.31Å; I158-I196 HydrophobicContact CD1-CG2 4.02Å; I158-I196 HydrophobicContact CG1-CD1 3.94Å; I158-I196 HydrophobicContact CG1-CG2 4.48Å; A192-I196 HydrophobicContact CB-CB 4.29Å; A192-I196 HydrophobicContact CB-CD1 3.68Å; A192-I196 HydrophobicContact CB-CG2 4.34Å; A193-I196 HydrophobicContact CB-CD1 4.5Å; A193-I196 WeakPolarHBondContact O-CB 3.4Å; A193-I196 PolarHBondContact O-N 3.09Å; A193-I196 VanDerWaalsContact O-N 3.13Å; S194-I196 VanDerWaalsContact C-N 3.27Å; S194-I196 PolarHBondContact O-N 2.84Å |
| 197 | F | 87.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -83.7 | 142.8 | -172.2 | -64.4 | -76.6 | 0 | 0 | 0 | 112.2 | W56 F59 I112 I114 I190 A192 A193 S194 V199 | W56-F197 HydrophobicContact CH2-CB 4.18Å; W56-F197 AromaticContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CD1 3.46Å; W56-F197 VanDerWaalsContact CH2-CD1 3.46Å; W56-F197 HydrophobicContact CH2-CE1 4.22Å; W56-F197 HydrophobicContact CH2-CG 4.19Å; W56-F197 HydrophobicContact CZ2-CB 4.2Å; W56-F197 HydrophobicContact CZ2-CD1 4.3Å; W56-F197 HydrophobicContact CZ3-CD1 4.1Å; F59-F197 HydrophobicContact CE1-CD1 4.33Å; F59-F197 HydrophobicContact CZ-CD1 4.36Å; I112-F197 HydrophobicContact CD1-CD2 3.44Å; I112-F197 VanDerWaalsContact CD1-CD2 3.44Å; I112-F197 HydrophobicContact CD1-CE2 3.81Å; I112-F197 HydrophobicContact CD1-CG 4.21Å; I112-F197 HydrophobicContact CG1-CD2 3.47Å; I112-F197 VanDerWaalsContact CG1-CD2 3.47Å; I112-F197 HydrophobicContact CG1-CE2 3.26Å; I112-F197 HydrophobicContact CG1-CZ 4.23Å; I114-F197 HydrophobicContact CB-CE1 4.02Å; I114-F197 HydrophobicContact CB-CZ 4.44Å; I114-F197 HydrophobicContact CG1-CD1 3.9Å; I114-F197 HydrophobicContact CG1-CE1 3.63Å; I114-F197 HydrophobicContact CG1-CE2 4.31Å; I114-F197 HydrophobicContact CG1-CG 4.3Å; I114-F197 HydrophobicContact CG1-CZ 3.84Å; I190-F197 HydrophobicContact CB-CE1 4.02Å; I190-F197 HydrophobicContact CB-CZ 4.3Å; I190-F197 HydrophobicContact CG2-CE1 3.67Å; I190-F197 HydrophobicContact CG2-CZ 3.83Å; A192-F197 HydrophobicContact CB-CE2 3.75Å; A192-F197 HydrophobicContact CB-CZ 3.83Å; A193-F197 WeakPolarHBondContact O-CD2 3.46Å; S194-F197 PolarHBondContact O-N 2.9Å; F197-V199 PolarHBondContact O-N 2.93Å |
| 198 | P | 86 | Confident | 84.3 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | trans | -51.9 | 132.3 | 167.6 | -32.7 | 40.3 | 0 | 0 | 0 | 112.9 | E54 W56 F59 T200 | E54-P198 WeakPolarHBondContact O-CB 3.4Å; E54-P198 WeakPolarHBondContact O-CG 3.34Å; W56-P198 HydrophobicContact CD2-CB 4.1Å; W56-P198 HydrophobicContact CD2-CG 4.02Å; W56-P198 HydrophobicContact CE3-CG 4.41Å; W56-P198 HydrophobicContact CG-CB 4.03Å; W56-P198 HydrophobicContact CG-CG 4.2Å; W56-P198 PolarHBondContact NE1-O 3.17Å; F59-P198 HydrophobicContact CB-CG 3.66Å; F59-P198 HydrophobicContact CD1-CG 4.41Å; F59-P198 HydrophobicContact CD2-CG 4.39Å; F59-P198 HydrophobicContact CG-CG 3.92Å; P198-T200 PolarHBondContact O-N 3.4Å | ||
| 199 | V | 80 | Confident | 82.8 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 78% | 0.782 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -75.3 | -0.1 | 174.7 | -164.3 | 0 | 0 | 0 | 0 | 111.9 | F197 | F197-V199 PolarHBondContact O-N 2.93Š|
| 200 | T | 74.4 | Confident | 81 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -80.9 | 173.5 | -178.2 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | W56 P198 Q202 V258 | W56-T200 PolarHBondContact NE1-O 3.4Å; W56-T200 VanDerWaalsContact NE1-O 3.12Å; P198-T200 PolarHBondContact O-N 3.4Å; T200-Q202 PolarHBondContact O-N 3.43Å; T200-V258 VanDerWaalsContact CB-CG2 3.48Å; T200-V258 HydrophobicContact CG2-CB 4.39Å; T200-V258 HydrophobicContact CG2-CG2 3.51Å |
| 201 | V | 76.3 | Confident | 78.9 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 60% | 0.6 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 116.7 | -177.9 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | L256 | V201-L256 WeakPolarHBondContact O-CD2 3.42Š|
| 202 | Q | 81.1 | Confident | 76.9 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 142.7 | -175.9 | -167.1 | -173.2 | -12.2 | 0 | 0 | 111.8 | W56 I114 T200 H205 | W56-Q202 HydrophobicContact CZ2-CG 4.04Å; I114-Q202 HydrophobicContact CG2-CG 4.28Å; T200-Q202 PolarHBondContact O-N 3.43Å; Q202-H205 PolarHBondContact NE2-CE1 2.94Å; Q202-H205 PolarHBondContact NE2-NE2 3.08Å |
| 203 | P | 83.3 | Confident | 74.7 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.019 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -54.1 | 149.1 | 169.3 | 20 | -32.3 | 0 | 0 | 0 | 112.4 | W56 I114 V116 H205 L256 | W56-P203 HydrophobicContact CD2-CG 4.05Å; W56-P203 HydrophobicContact CE3-CG 3.85Å; W56-P203 HydrophobicContact CZ3-CG 4.16Å; I114-P203 HydrophobicContact CG2-CG 4.42Å; V116-P203 HydrophobicContact CB-CG 4.43Å; V116-P203 HydrophobicContact CG1-CB 3.95Å; V116-P203 HydrophobicContact CG1-CG 4.22Å; V116-P203 HydrophobicContact CG2-CB 3.99Å; V116-P203 HydrophobicContact CG2-CG 3.41Å; V116-P203 VanDerWaalsContact CG2-CG 3.41Å; P203-H205 PolarHBondContact O-N 3.49Å; P203-L256 HydrophobicContact CB-CD1 3.8Å; P203-L256 HydrophobicContact CB-CD2 4.27Å |
| 204 | P | 83.9 | Confident | 72.7 | Confident | 95 Ų | 95 | 75.3 Ų | 75.3 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 128.4 | 172.8 | 26.6 | -33.2 | 0 | 0 | 0 | 109.2 | C206 | P204-C206 PolarHBondContact O-N 3.41Š|
| 205 | H | 83.8 | Confident | 70.8 | Confident | 113 Ų | 113 | 79.6 Ų | 79.6 | 52% | 0.523 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 122.9 | 175.6 | -79.6 | -83.7 | 0 | 0 | 0 | 110.1 | S115 Q202 P203 | S115-H205 PolarHBondContact OG-ND1 3.16Å; Q202-H205 PolarHBondContact NE2-CE1 2.94Å; Q202-H205 PolarHBondContact NE2-NE2 3.08Å; P203-H205 PolarHBondContact O-N 3.49Å |
| 206 | C | 86.4 | Confident | 69.3 | Low | 24 Ų | 24 | 78.2 Ų | 78.2 | 16% | 0.162 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 140.9 | 167 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | S115 V116 S117 C187 P204 | S115-C206 PolarHBondContact OG-O 3.15Å; V116-C206 PolarHBondContact N-SG 2.98Å; V116-C206 VanDerWaalsContact N-SG 3.38Å; V116-C206 PolarHBondContact O-SG 3.32Å; V116-C206 VanDerWaalsContact O-SG 3.34Å; S117-C206 PolarHBondContact N-SG 3.2Å; C187-C206 WeakPolarHBondContact CA-SG 3.37Å; C187-C206 HydrophobicContact CB-CB 3.92Å; C187-C206 WeakPolarHBondContact CB-SG 3.46Å; C187-C206 VanDerWaalsContact SG-C 3.53Å; C187-C206 WeakPolarHBondContact SG-CB 3.19Å; C187-C206 PolarHBondContact SG-O 2.8Å; C187-C206 CovalentContact SG-SG 2.04Å; C187-C206 PolarHBondContact SG-SG 3.38Å; P204-C206 PolarHBondContact O-N 3.41Å |
| 207 | V | 76.4 | Confident | 67.9 | Low | 123 Ų | 123 | 85.9 Ų | 85.9 | 75% | 0.745 | 47% | 0.468 | S | S | * | . | trans | -108.7 | 120.1 | 162.5 | -178.9 | 0 | 0 | 0 | 0 | 104.8 | E209 | V207-E209 PolarHBondContact O-N 3.16Š| ||
| 208 | P | 64.9 | Low | 66.8 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 22% | 0.221 | 48% | 0.48 | C | S | . | . | trans | -60.3 | 130.5 | 173.2 | 24.1 | -28.6 | 0 | 0 | 0 | 107.7 | T163 C187 T210 | T163-P208 HydrophobicContact CG2-CB 3.4Å; T163-P208 HydrophobicContact CG2-CG 3.61Å; C187-P208 HydrophobicContact CB-CB 4.02Å; C187-P208 HydrophobicContact CB-CG 4.35Å; P208-T210 PolarHBondContact O-N 2.83Å; P208-T210 PolarHBondContact O-OG1 3.13Å; P208-T210 VanDerWaalsContact O-OG1 3.09Å | ||
| 209 | E | 60.5 | Low | 65.7 | Low | 170 Ų | 170 | 91.6 Ų | 91.6 | 79% | 0.794 | 49% | 0.489 | S | S | * | . | trans | -59.3 | 92.5 | 166.8 | -73 | -173.8 | 172 | 0 | 0 | 106.6 | V207 Y211 | V207-E209 PolarHBondContact O-N 3.16Å; E209-Y211 PolarHBondContact O-N 3.2Å | ||
| 210 | T | 54.1 | Low | 65.1 | Low | 85 Ų | 85 | 85.5 Ų | 85.5 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | trans | -73.1 | 132.7 | -168.9 | -10.9 | 0 | 0 | 0 | 0 | 106 | P208 T212 | P208-T210 PolarHBondContact O-N 2.83Å; P208-T210 PolarHBondContact O-OG1 3.13Å; P208-T210 VanDerWaalsContact O-OG1 3.09Å; T210-T212 PolarHBondContact O-N 3.07Å | ||
| 211 | Y | 50 | Low | 64.9 | Low | 153 Ų | 153 | 86.7 Ų | 86.7 | 60% | 0.6 | 46% | 0.456 | S | S | * | . | trans | -56.1 | 97.4 | 156.2 | -127.6 | -97.4 | 0 | 0 | 0 | 106.3 | E209 N213 A214 | E209-Y211 PolarHBondContact O-N 3.2Å; Y211-N213 PolarHBondContact O-N 3Å; Y211-A214 PolarHBondContact O-N 3.21Å | ||
| 212 | T | 48.7 | Very low | 64.7 | Low | 129 Ų | 129 | 82.3 Ų | 82.3 | 79% | 0.791 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -9.1 | -177 | 42.7 | 0 | 0 | 0 | 0 | 112.9 | T210 | T210-T212 PolarHBondContact O-N 3.07Š|
| 213 | N | 46.6 | Very low | 64.4 | Low | 130 Ų | 130 | 81.6 Ų | 81.6 | 70% | 0.695 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 11.6 | -179.1 | -67.4 | -31.9 | 0 | 0 | 0 | 114.5 | Y211 T215 | Y211-N213 PolarHBondContact O-N 3Å; N213-T215 PolarHBondContact O-N 2.91Å |
| 214 | A | 48.5 | Very low | 64.2 | Low | 34 Ų | 34 | 82.5 Ų | 82.5 | 28% | 0.281 | 44% | 0.436 | S | S | . | . | trans | -76.4 | 91.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y211 S216 | Y211-A214 PolarHBondContact O-N 3.21Å; A214-S216 PolarHBondContact O-N 2.85Å | ||
| 215 | T | 44.8 | Very low | 64.1 | Low | 146 Ų | 146 | 79.6 Ų | 79.6 | 90% | 0.896 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -67 | -8.9 | 174.8 | 44 | 0 | 0 | 0 | 0 | 114 | N213 | N213-T215 PolarHBondContact O-N 2.91Š|
| 216 | S | 52 | Low | 63.8 | Low | 41 Ų | 41 | 76.8 Ų | 76.8 | 29% | 0.287 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -147.9 | 127.4 | 179.3 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | A214 Y218 | A214-S216 PolarHBondContact O-N 2.85Å; S216-Y218 VanDerWaalsContact OG-CE2 3.28Å; S216-Y218 WeakPolarHBondContact OG-CE2 3.43Å |
| 217 | W | 57.5 | Low | 63 | Low | 170 Ų | 170 | 77.3 Ų | 77.3 | 64% | 0.644 | 41% | 0.405 | S | S | * | . | trans | -86.7 | 114.9 | 170.4 | -58.5 | -30.3 | 0 | 0 | 0 | 109.3 | H137 K219 | H137-W217 AromaticContact CE1-CD1 3.48Å; H137-W217 VanDerWaalsContact CE1-CD1 3.48Å; H137-W217 AromaticContact CE1-CG 3.71Å; H137-W217 AromaticContact CE1-NE1 3.93Å; H137-W217 AromaticContact ND1-CD1 3.93Å; H137-W217 AromaticContact ND1-CG 3.89Å; W217-K219 PolarHBondContact O-N 2.79Å | ||
| 218 | Y | 62.8 | Low | 62.8 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | trans | -85.1 | 100.2 | 170.6 | -68.7 | -85 | 0 | 0 | 0 | 107.4 | N134 T136 H137 S216 | N134-Y218 HydrophobicContact CB-CD2 4.09Å; N134-Y218 HydrophobicContact CB-CE2 4.12Å; N134-Y218 WeakPolarHBondContact O-CD2 3.22Å; T136-Y218 PolarHBondContact N-O 2.91Å; H137-Y218 PolarHBondContact N-O 3.28Å; H137-Y218 VanDerWaalsContact O-O 3.08Å; S216-Y218 VanDerWaalsContact OG-CE2 3.28Å; S216-Y218 WeakPolarHBondContact OG-CE2 3.43Å | ||
| 219 | K | 63.5 | Low | 63 | Low | 64 Ų | 64 | 77.4 Ų | 77.4 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.6 | 179.2 | -167.6 | 174.6 | -171.9 | 179.4 | 0 | 108.8 | H137 W217 F221 | H137-K219 WeakPolarHBondContact O-CA 2.93Å; W217-K219 PolarHBondContact O-N 2.79Å; K219-F221 HydrophobicContact CD-CE2 4.36Å; K219-F221 HydrophobicContact CD-CZ 4.49Å; K219-F221 HydrophobicContact CG-CE2 4.42Å |
| 220 | V | 68.1 | Low | 63.1 | Low | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.006 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.2 | 172.6 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | V70 T75 I135 H137 L138 Y139 | V70-V220 HydrophobicContact CG1-CB 4.19Å; V70-V220 HydrophobicContact CG1-CG1 3.59Å; T75-V220 HydrophobicContact CG2-CG2 4.2Å; I135-V220 HydrophobicContact CD1-CG2 3.55Å; I135-V220 HydrophobicContact CG1-CG2 3.88Å; I135-V220 HydrophobicContact CG2-CG2 4.17Å; H137-V220 PolarHBondContact O-N 3.46Å; H137-V220 VanDerWaalsContact O-N 3.15Å; L138-V220 HydrophobicContact CD2-CB 4.01Å; Y139-V220 PolarHBondContact N-O 2.9Å |
| 221 | F | 70.3 | Confident | 63.6 | Low | 45 Ų | 45 | 81.2 Ų | 81.2 | 20% | 0.197 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 135.7 | 173.8 | -68.1 | -109.2 | 0 | 0 | 0 | 109.2 | E74 I76 Y139 K219 | E74-F221 HydrophobicContact CB-CB 3.67Å; E74-F221 HydrophobicContact CB-CD2 4.28Å; E74-F221 HydrophobicContact CB-CG 4.24Å; E74-F221 HydrophobicContact CG-CB 4.5Å; E74-F221 WeakPolarHBondContact O-CD2 3.41Å; E74-F221 PolarHBondContact O-N 2.9Å; E74-F221 WeakPolarHBondContact OE2-CB 3.34Å; I76-F221 HydrophobicContact CB-CE2 4.21Å; I76-F221 HydrophobicContact CD1-CE2 3.45Å; I76-F221 VanDerWaalsContact CD1-CE2 3.45Å; I76-F221 HydrophobicContact CD1-CZ 3.54Å; I76-F221 HydrophobicContact CG1-CD2 4.45Å; I76-F221 HydrophobicContact CG1-CE2 3.59Å; I76-F221 HydrophobicContact CG1-CZ 4.21Å; Y139-F221 AromaticContact CD1-CD1 3.36Å; Y139-F221 HydrophobicContact CD1-CD1 3.36Å; Y139-F221 AromaticContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CE1 3.36Å; Y139-F221 HydrophobicContact CD1-CG 4.22Å; Y139-F221 HydrophobicContact CD1-CZ 4.24Å; Y139-F221 AromaticContact CE1-CD1 3.89Å; Y139-F221 HydrophobicContact CE1-CD1 3.89Å; Y139-F221 AromaticContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CE1-CE1 3.6Å; Y139-F221 HydrophobicContact CG-CD1 4.32Å; Y139-F221 HydrophobicContact CG-CE1 4.22Å; Y139-F221 CarbonylContact O-C 3.56Å; Y139-F221 VanDerWaalsContact O-CA 3.27Å; Y139-F221 WeakPolarHBondContact O-CA 3.3Å; K219-F221 HydrophobicContact CD-CE2 4.36Å; K219-F221 HydrophobicContact CD-CZ 4.49Å; K219-F221 HydrophobicContact CG-CE2 4.42Å |
| 222 | T | 70.6 | Confident | 64.3 | Low | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.043 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.8 | -177.3 | 65.7 | 0 | 0 | 0 | 0 | 109.6 | C69 V70 L138 Y139 A140 | C69-T222 WeakPolarHBondContact O-CA 3.33Å; C69-T222 VanDerWaalsContact O-CB 3.26Å; C69-T222 WeakPolarHBondContact O-CB 3.37Å; V70-T222 HydrophobicContact CB-CG2 4.34Å; V70-T222 HydrophobicContact CG1-CG2 4.5Å; V70-T222 HydrophobicContact CG2-CG2 3.77Å; L138-T222 HydrophobicContact CB-CG2 4.32Å; L138-T222 HydrophobicContact CD2-CG2 4.33Å; Y139-T222 PolarHBondContact O-N 2.78Å; Y139-T222 PolarHBondContact O-OG1 3.12Å; A140-T222 WeakPolarHBondContact CB-OG1 3.48Å |
| 223 | T | 76.3 | Confident | 64.9 | Low | 64 Ų | 64 | 79.9 Ų | 79.9 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 143.2 | 171.6 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | F68 C69 | F68-T223 CarbonylContact C-O 3.59Å; F68-T223 WeakPolarHBondContact CA-O 3.42Å; C69-T223 WeakPolarHBondContact CB-OG1 3.19Å; C69-T223 PolarHBondContact N-O 2.82Å; C69-T223 PolarHBondContact O-N 2.8Å |
| 224 | V | 78.9 | Confident | 65.8 | Low | 22 Ų | 22 | 80.7 Ų | 80.7 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.5 | -174.9 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | L66 D67 F68 A140 V142 Q146 | L66-V224 HydrophobicContact CB-CG1 3.92Å; L66-V224 HydrophobicContact CD1-CG1 3.96Å; L66-V224 HydrophobicContact CD2-CG1 3.92Å; L66-V224 HydrophobicContact CG-CG1 4.16Å; D67-V224 WeakPolarHBondContact O-CA 3.32Å; F68-V224 HydrophobicContact CD1-CG1 4.46Å; F68-V224 HydrophobicContact CD1-CG2 3.44Å; F68-V224 VanDerWaalsContact CD1-CG2 3.44Å; F68-V224 HydrophobicContact CE1-CG1 4.23Å; F68-V224 HydrophobicContact CE1-CG2 3.55Å; F68-V224 HydrophobicContact CG-CG2 4.37Å; A140-V224 HydrophobicContact CB-CG2 3.7Å; V142-V224 HydrophobicContact CG1-CB 3.75Å; V142-V224 HydrophobicContact CG1-CG1 3.67Å; V142-V224 HydrophobicContact CG1-CG2 3.58Å; Q146-V224 PolarHBondContact NE2-O 2.93Å |
| 225 | R | 80.8 | Confident | 66.8 | Low | 33 Ų | 33 | 83.3 Ų | 83.3 | 13% | 0.125 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.5 | -179.5 | -171.3 | -176.6 | 175.9 | 162.1 | 10 | 110.2 | L66 D67 S227 T229 N236 W239 | L66-R225 WeakPolarHBondContact CA-O 3.17Å; D67-R225 PolarHBondContact N-O 2.6Å; D67-R225 PolarHBondContact O-N 3.29Å; R225-S227 PolarHBondContact O-N 3.43Å; R225-T229 PolarHBondContact NE-OG1 2.79Å; R225-T229 PolarHBondContact NH2-O 3.27Å; R225-T229 PolarHBondContact NH2-OG1 3.14Å; R225-N236 PolarHBondContact NH1-O 3.23Å; R225-W239 HydrophobicContact CB-CD2 4.4Å; R225-W239 HydrophobicContact CB-CE3 4.05Å; R225-W239 HydrophobicContact CB-CH2 4.14Å; R225-W239 HydrophobicContact CB-CZ2 4.49Å; R225-W239 HydrophobicContact CB-CZ3 3.88Å |
| 226 | D | 78.6 | Confident | 68.4 | Low | 55 Ų | 55 | 80.3 Ų | 80.3 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 124.8 | 167.7 | 173.2 | -1 | 0 | 0 | 0 | 109.8 | D228 T229 | D226-D228 PolarHBondContact O-N 3.23Å; D226-D228 PolarHBondContact OD1-N 2.8Å; D226-T229 HydrophobicContact CB-CG2 3.79Å; D226-T229 WeakPolarHBondContact O-CB 3.28Å; D226-T229 PolarHBondContact O-N 3.34Å; D226-T229 PolarHBondContact O-OG1 3.24Å |
| 227 | S | 69.8 | Low | 69.5 | Low | 34 Ų | 34 | 82 Ų | 82 | 24% | 0.238 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -60.9 | -29.9 | -178.2 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | D65 R225 T229 | D65-S227 WeakPolarHBondContact O-CB 3.15Å; D65-S227 PolarHBondContact O-N 3.47Å; D65-S227 PolarHBondContact O-OG 2.85Å; R225-S227 PolarHBondContact O-N 3.43Å; S227-T229 VanDerWaalsContact C-N 3.26Å; S227-T229 PolarHBondContact O-N 2.85Å |
| 228 | D | 71.2 | Confident | 70.5 | Confident | 122 Ų | 122 | 80.6 Ų | 80.6 | 65% | 0.652 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -76.3 | -14.1 | -178.5 | -81.7 | -20.5 | 0 | 0 | 0 | 113 | D226 K230 | D226-D228 PolarHBondContact O-N 3.23Å; D226-D228 PolarHBondContact OD1-N 2.8Å; D228-K230 PolarHBondContact O-N 2.96Å |
| 229 | T | 70 | Confident | 71.5 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 23% | 0.227 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -67.9 | 1.4 | 177.2 | 64.6 | 0 | 0 | 0 | 0 | 113.6 | R225 D226 S227 Y231 S232 Y235 | R225-T229 PolarHBondContact NE-OG1 2.79Å; R225-T229 PolarHBondContact NH2-O 3.27Å; R225-T229 PolarHBondContact NH2-OG1 3.14Å; D226-T229 HydrophobicContact CB-CG2 3.79Å; D226-T229 WeakPolarHBondContact O-CB 3.28Å; D226-T229 PolarHBondContact O-N 3.34Å; D226-T229 PolarHBondContact O-OG1 3.24Å; S227-T229 VanDerWaalsContact C-N 3.26Å; S227-T229 PolarHBondContact O-N 2.85Å; T229-Y231 PolarHBondContact O-N 3.33Å; T229-Y231 VanDerWaalsContact O-N 3.1Å; T229-S232 PolarHBondContact O-N 2.95Å; T229-S232 VanDerWaalsContact O-N 3.12Å; T229-S232 PolarHBondContact O-OG 3.09Å; T229-S232 VanDerWaalsContact O-OG 3.05Å; T229-Y235 WeakPolarHBondContact O-CD2 2.89Å |
| 230 | K | 62.2 | Low | 72.5 | Confident | 127 Ų | 127 | 76.4 Ų | 76.4 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -53.7 | -27.9 | 175.3 | -164.9 | 173.2 | 179.9 | 179.9 | 0 | 114 | D228 Y235 | D228-K230 PolarHBondContact O-N 2.96Å; K230-Y235 HydrophobicContact CB-CD2 4.42Å; K230-Y235 HydrophobicContact CB-CE2 4.17Å; K230-Y235 HydrophobicContact CG-CD2 4.4Å; K230-Y235 HydrophobicContact CG-CE2 3.88Å |
| 231 | Y | 63.6 | Low | 73.3 | Confident | 209 Ų | 209 | 82.2 Ų | 82.2 | 82% | 0.82 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -107.6 | 5.5 | -177.3 | -60.5 | -79.9 | 0 | 0 | 0 | 113.9 | T229 | T229-Y231 PolarHBondContact O-N 3.33Å; T229-Y231 VanDerWaalsContact O-N 3.1Å |
| 232 | S | 65.7 | Low | 73.9 | Confident | 48 Ų | 48 | 84.8 Ų | 84.8 | 34% | 0.336 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -79.5 | 154.2 | 177.9 | 75.9 | 0 | 0 | 0 | 0 | 111.7 | T229 D234 Y235 | T229-S232 PolarHBondContact O-N 2.95Å; T229-S232 VanDerWaalsContact O-N 3.12Å; T229-S232 PolarHBondContact O-OG 3.09Å; T229-S232 VanDerWaalsContact O-OG 3.05Å; S232-D234 PolarHBondContact O-N 2.84Å; S232-Y235 VanDerWaalsContact O-CB 3.3Å; S232-Y235 WeakPolarHBondContact O-CB 3.47Å; S232-Y235 PolarHBondContact O-N 2.77Å |
| 233 | Q | 61.5 | Low | 74.7 | Confident | 205 Ų | 205 | 84.5 Ų | 84.5 | 96% | 0.958 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.4 | 175.9 | -75.1 | 178.5 | -15.2 | 0 | 0 | 112.6 | Y235 | Q233-Y235 VanDerWaalsContact C-N 3.3Å; Q233-Y235 PolarHBondContact O-N 2.89Å |
| 234 | D | 64.3 | Low | 75.3 | Confident | 148 Ų | 148 | 81.4 Ų | 81.4 | 79% | 0.791 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 15.1 | 178.7 | -57.2 | -47 | 0 | 0 | 0 | 113.2 | S232 N236 | S232-D234 PolarHBondContact O-N 2.84Å; D234-N236 PolarHBondContact O-N 3.21Å |
| 235 | Y | 71.5 | Confident | 75.8 | Confident | 88 Ų | 88 | 82.2 Ų | 82.2 | 35% | 0.345 | 39% | 0.393 | S | S | . | . | trans | -65.7 | 108.3 | -178.2 | -179.5 | -98.2 | 0 | 0 | 0 | 112.2 | T229 K230 S232 Q233 P237 | T229-Y235 WeakPolarHBondContact O-CD2 2.89Å; K230-Y235 HydrophobicContact CB-CD2 4.42Å; K230-Y235 HydrophobicContact CB-CE2 4.17Å; K230-Y235 HydrophobicContact CG-CD2 4.4Å; K230-Y235 HydrophobicContact CG-CE2 3.88Å; S232-Y235 VanDerWaalsContact O-CB 3.3Å; S232-Y235 WeakPolarHBondContact O-CB 3.47Å; S232-Y235 PolarHBondContact O-N 2.77Å; Q233-Y235 VanDerWaalsContact C-N 3.3Å; Q233-Y235 PolarHBondContact O-N 2.89Å; Y235-P237 HydrophobicContact CD1-CB 4.35Å; Y235-P237 HydrophobicContact CE1-CB 3.73Å; Y235-P237 VanDerWaalsContact O-CD 3.26Å; Y235-P237 WeakPolarHBondContact O-CD 3.29Å | ||
| 236 | N | 78.2 | Confident | 76.2 | Confident | 84 Ų | 84 | 80.6 Ų | 80.6 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | trans | -87.2 | 110.7 | 167.2 | -176.3 | 0.3 | 0 | 0 | 0 | 110.4 | R225 D234 F238 W239 | R225-N236 PolarHBondContact NH1-O 3.23Å; D234-N236 PolarHBondContact O-N 3.21Å; N236-F238 PolarHBondContact O-N 3.29Å; N236-F238 PolarHBondContact OD1-N 3.27Å; N236-W239 HydrophobicContact CB-CB 4.38Å; N236-W239 PolarHBondContact O-N 3.47Å | ||
| 237 | P | 74.1 | Confident | 76.9 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 49% | 0.494 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.4 | 177.9 | 25 | -32 | 0 | 0 | 0 | 113.6 | Y235 | Y235-P237 HydrophobicContact CD1-CB 4.35Å; Y235-P237 HydrophobicContact CE1-CB 3.73Å; Y235-P237 VanDerWaalsContact O-CD 3.26Å; Y235-P237 WeakPolarHBondContact O-CD 3.29Å |
| 238 | F | 78.8 | Confident | 77.9 | Confident | 140 Ų | 140 | 79.5 Ų | 79.5 | 61% | 0.614 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 16.2 | -176 | -60.3 | -69.7 | 0 | 0 | 0 | 113.1 | N236 C240 Y241 | N236-F238 PolarHBondContact O-N 3.29Å; N236-F238 PolarHBondContact OD1-N 3.27Å; F238-C240 PolarHBondContact O-N 2.99Å; F238-C240 VanDerWaalsContact O-N 3.15Å; F238-Y241 AromaticContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CG 4.48Å; F238-Y241 WeakPolarHBondContact O-CB 3.43Å; F238-Y241 PolarHBondContact O-N 3.23Å |
| 239 | W | 83.2 | Confident | 78.8 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 20% | 0.197 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.3 | -177.3 | 77.5 | -82 | 0 | 0 | 0 | 113.3 | D67 C69 R225 N236 I245 | D67-W239 HydrophobicContact CB-CH2 3.63Å; D67-W239 HydrophobicContact CB-CZ2 3.73Å; D67-W239 WeakPolarHBondContact O-CH2 3.42Å; C69-W239 HydrophobicContact CB-CE3 3.89Å; C69-W239 HydrophobicContact CB-CH2 3.9Å; C69-W239 HydrophobicContact CB-CZ3 3.36Å; R225-W239 HydrophobicContact CB-CD2 4.4Å; R225-W239 HydrophobicContact CB-CE3 4.05Å; R225-W239 HydrophobicContact CB-CH2 4.14Å; R225-W239 HydrophobicContact CB-CZ2 4.49Å; R225-W239 HydrophobicContact CB-CZ3 3.88Å; N236-W239 HydrophobicContact CB-CB 4.38Å; N236-W239 PolarHBondContact O-N 3.47Å; W239-I245 HydrophobicContact CZ2-CG1 4.37Å |
| 240 | C | 85.4 | Confident | 79.6 | Confident | 8 Ų | 8 | 77.8 Ų | 77.8 | 5% | 0.054 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 43.3 | 172 | -160.1 | 0 | 0 | 0 | 0 | 112.6 | C69 F238 K242 G243 I245 | C69-C240 WeakPolarHBondContact CA-SG 3.48Å; C69-C240 HydrophobicContact CB-CB 3.57Å; C69-C240 WeakPolarHBondContact CB-SG 3.48Å; C69-C240 WeakPolarHBondContact SG-CA 3.26Å; C69-C240 WeakPolarHBondContact SG-CB 3.45Å; C69-C240 CovalentContact SG-SG 2.04Å; C69-C240 PolarHBondContact SG-SG 2.8Å; F238-C240 PolarHBondContact O-N 2.99Å; F238-C240 VanDerWaalsContact O-N 3.15Å; C240-K242 PolarHBondContact O-N 2.84Å; C240-G243 PolarHBondContact O-N 3.27Å; C240-I245 HydrophobicContact CB-CG1 4.22Å |
| 241 | Y | 84.1 | Confident | 80.4 | Confident | 123 Ų | 123 | 75.5 Ų | 75.5 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 130.7 | 177.5 | -177.7 | -110.7 | 0 | 0 | 0 | 111.1 | P127 F238 G243 | P127-Y241 HydrophobicContact CG-CE2 4Å; F238-Y241 AromaticContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CD2 3.93Å; F238-Y241 HydrophobicContact CD1-CG 4.48Å; F238-Y241 WeakPolarHBondContact O-CB 3.43Å; F238-Y241 PolarHBondContact O-N 3.23Å; Y241-G243 PolarHBondContact O-N 3.16Å; Y241-G243 VanDerWaalsContact O-N 3.1Å |
| 242 | K | 84.3 | Confident | 81 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 43% | 0.426 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 9.4 | -177.6 | -71 | 178 | 175 | -175.1 | 0 | 116.2 | P127 G129 C240 | P127-K242 HydrophobicContact CG-CG 4.3Å; P127-K242 WeakPolarHBondContact O-CA 3.49Å; P127-K242 VanDerWaalsContact O-CG 3.24Å; P127-K242 WeakPolarHBondContact O-CG 3.2Å; G129-K242 PolarHBondContact N-O 2.91Å; C240-K242 PolarHBondContact O-N 2.84Å |
| 243 | G | 86.4 | Confident | 81 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -99.9 | -167.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V70 V125 F128 C240 Y241 | V70-G243 CarbonylContact O-C 3.57Å; V70-G243 WeakPolarHBondContact O-CA 3.13Å; V125-G243 PolarHBondContact N-O 3.08Å; F128-G243 WeakPolarHBondContact CD2-O 3.33Å; C240-G243 PolarHBondContact O-N 3.27Å; Y241-G243 PolarHBondContact O-N 3.16Å; Y241-G243 VanDerWaalsContact O-N 3.1Å |
| 244 | A | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V70 D123 F128 W168 | V70-A244 HydrophobicContact CB-CB 4.45Å; V70-A244 PolarHBondContact N-O 3.43Å; V70-A244 PolarHBondContact O-N 3.48Å; D123-A244 CarbonylContact O-C 3.55Å; D123-A244 VanDerWaalsContact O-CA 3.3Å; D123-A244 WeakPolarHBondContact O-CA 3.28Å; F128-A244 HydrophobicContact CE2-CB 4.15Å; W168-A244 HydrophobicContact CH2-CB 3.54Å; W168-A244 HydrophobicContact CZ2-CB 4.17Å |
| 245 | I | 89.6 | Confident | 80.9 | Confident | 38 Ų | 38 | 67.5 Ų | 67.5 | 20% | 0.195 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.7 | 179.1 | -63.3 | 170.1 | 0 | 0 | 0 | 108.7 | D67 F68 L122 D123 V125 W239 C240 K247 | D67-I245 HydrophobicContact CB-CG2 4.33Å; F68-I245 CarbonylContact O-C 3.13Å; F68-I245 WeakPolarHBondContact O-CA 3.48Å; L122-I245 WeakPolarHBondContact CA-O 3.48Å; D123-I245 PolarHBondContact N-O 2.87Å; D123-I245 PolarHBondContact O-N 3.24Å; V125-I245 HydrophobicContact CG2-CD1 3.54Å; V125-I245 HydrophobicContact CG2-CG1 3.65Å; W239-I245 HydrophobicContact CZ2-CG1 4.37Å; C240-I245 HydrophobicContact CB-CG1 4.22Å; I245-K247 HydrophobicContact CG2-CG 4.43Å |
| 246 | G | 90.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F68 T121 | F68-G246 PolarHBondContact N-O 3.43Å; F68-G246 PolarHBondContact O-N 3.31Å; T121-G246 CarbonylContact O-C 3.52Å; T121-G246 WeakPolarHBondContact O-CA 3.46Å |
| 247 | K | 91.9 | Very high | 79.1 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.2 | 170.6 | -64.8 | 178.8 | 179 | -71.2 | 0 | 110.1 | D67 L120 T121 I245 Y249 | D67-K247 WeakPolarHBondContact OD1-CG 3.44Å; D67-K247 IonicContact OD1-NZ 2.73Å; D67-K247 PolarHBondContact OD1-NZ 3.41Å; D67-K247 IonicContact OD2-NZ 3.63Å; L120-K247 WeakPolarHBondContact CA-O 3.4Å; T121-K247 PolarHBondContact N-O 3.22Å; T121-K247 PolarHBondContact O-N 3.39Å; T121-K247 WeakPolarHBondContact OG1-CB 3.49Å; T121-K247 PolarHBondContact OG1-O 3.41Å; I245-K247 HydrophobicContact CG2-CG 4.43Å; K247-Y249 HydrophobicContact CB-CE2 3.73Å; K247-Y249 WeakPolarHBondContact CD-OH 3.28Å |
| 248 | V | 92.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.8 | -179.3 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | F63 N64 F68 I118 T119 L120 F162 | F63-V248 HydrophobicContact CB-CG1 4.3Å; N64-V248 WeakPolarHBondContact CA-O 3.34Å; N64-V248 PolarHBondContact OD1-O 3.01Å; F68-V248 HydrophobicContact CD2-CG2 4.02Å; F68-V248 HydrophobicContact CE2-CB 4.33Å; F68-V248 HydrophobicContact CE2-CG2 3.44Å; F68-V248 VanDerWaalsContact CE2-CG2 3.44Å; F68-V248 HydrophobicContact CZ-CG2 4.14Å; I118-V248 HydrophobicContact CD1-CG1 3.13Å; I118-V248 HydrophobicContact CG1-CG1 3.53Å; I118-V248 HydrophobicContact CG2-CG1 4.21Å; T119-V248 CarbonylContact O-C 3.55Å; T119-V248 WeakPolarHBondContact O-CA 3.24Å; L120-V248 HydrophobicContact CD1-CG2 3.91Å; F162-V248 HydrophobicContact CE1-CG2 3.68Å; F162-V248 HydrophobicContact CZ-CG2 3.6Å |
| 249 | Y | 89.2 | Confident | 76.9 | Confident | 103 Ų | 103 | 59.3 Ų | 59.3 | 40% | 0.404 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 110.3 | 177.5 | -62.8 | -79.6 | 0 | 0 | 0 | 110.1 | N64 I118 T119 T121 K247 | N64-Y249 WeakPolarHBondContact OD1-CA 3.27Å; I118-Y249 WeakPolarHBondContact CG1-O 3.47Å; T119-Y249 WeakPolarHBondContact CB-O 3.44Å; T119-Y249 PolarHBondContact N-O 3.49Å; T119-Y249 VanDerWaalsContact N-O 3.16Å; T119-Y249 PolarHBondContact O-N 3.2Å; T121-Y249 HydrophobicContact CG2-CD2 3.86Å; T121-Y249 HydrophobicContact CG2-CE2 3.64Å; K247-Y249 HydrophobicContact CB-CE2 3.73Å; K247-Y249 WeakPolarHBondContact CD-OH 3.28Å |
| 250 | H | 86.8 | Confident | 75.1 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -87.4 | 123.6 | 168 | -176.6 | 52.5 | 0 | 0 | 0 | 111.3 | N57 L60 N64 I118 | N57-H250 PolarHBondContact OD1-NE2 3.03Å; L60-H250 HydrophobicContact CB-CB 4.13Å; N64-H250 PolarHBondContact OD1-N 2.85Å; I118-H250 HydrophobicContact CD1-CB 4Å; I118-H250 HydrophobicContact CG1-CB 4.37Å |
| 251 | A | 79.5 | Confident | 73.5 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 65% | 0.653 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 122.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | N253 | A251-N253 PolarHBondContact O-N 2.87Å; A251-N253 VanDerWaalsContact O-N 3.16Å |
| 252 | L | 76.1 | Confident | 71.9 | Confident | 117 Ų | 117 | 60.8 Ų | 60.8 | 61% | 0.613 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -50 | 121 | 179.8 | -76.5 | 169.8 | 0 | 0 | 0 | 111.4 | N57 L61 | N57-L252 HydrophobicContact CB-CD2 3.79Å; L61-L252 HydrophobicContact CD1-CD2 3.85Å; L61-L252 HydrophobicContact CG-CD2 4.46Å |
| 253 | N | 65.6 | Low | 70.3 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 116.3 | 177.9 | -171.8 | -23.6 | 0 | 0 | 0 | 109.6 | N57 A251 K255 L256 T257 | N57-N253 PolarHBondContact ND2-O 3.42Å; N57-N253 PolarHBondContact OD1-N 3.42Å; N57-N253 VanDerWaalsContact OD1-N 3.11Å; A251-N253 PolarHBondContact O-N 2.87Å; A251-N253 VanDerWaalsContact O-N 3.16Å; N253-K255 PolarHBondContact O-N 3.23Å; N253-K255 WeakPolarHBondContact OD1-CB 3.4Å; N253-K255 PolarHBondContact OD1-N 3.02Å; N253-L256 HydrophobicContact CB-CB 4.32Å; N253-L256 HydrophobicContact CB-CD1 3.84Å; N253-L256 HydrophobicContact CB-CG 3.98Å; N253-L256 PolarHBondContact O-N 3.34Å; N253-T257 PolarHBondContact O-N 2.95Å |
| 254 | P | 63 | Low | 68.8 | Low | 103 Ų | 103 | 66.7 Ų | 66.7 | 67% | 0.669 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -14.5 | -178.7 | 26.7 | -35.1 | 0 | 0 | 0 | 113.5 | L256 T257 | P254-L256 VanDerWaalsContact C-N 3.34Å; P254-T257 PolarHBondContact O-OG1 3.32Å |
| 255 | K | 61.2 | Low | 67.3 | Low | 175 Ų | 175 | 70 Ų | 70 | 76% | 0.761 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -13.7 | 173.8 | -59.9 | -178.6 | 178.8 | 179.3 | 0 | 113.7 | N253 | N253-K255 PolarHBondContact O-N 3.23Å; N253-K255 WeakPolarHBondContact OD1-CB 3.4Å; N253-K255 PolarHBondContact OD1-N 3.02Å |
| 256 | L | 56.9 | Low | 65.8 | Low | 7 Ų | 7 | 71.3 Ų | 71.3 | 4% | 0.037 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -8 | -176.9 | -57.9 | 178.1 | 0 | 0 | 0 | 113.2 | W56 V201 P203 N253 P254 V258 | W56-L256 HydrophobicContact CB-CB 4.29Å; V201-L256 WeakPolarHBondContact O-CD2 3.42Å; P203-L256 HydrophobicContact CB-CD1 3.8Å; P203-L256 HydrophobicContact CB-CD2 4.27Å; N253-L256 HydrophobicContact CB-CB 4.32Å; N253-L256 HydrophobicContact CB-CD1 3.84Å; N253-L256 HydrophobicContact CB-CG 3.98Å; N253-L256 PolarHBondContact O-N 3.34Å; P254-L256 VanDerWaalsContact C-N 3.34Å; L256-V258 PolarHBondContact O-N 2.96Å |
| 257 | T | 55.7 | Low | 64.6 | Low | 53 Ų | 53 | 75.7 Ų | 75.7 | 33% | 0.325 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -76.2 | 109.9 | 164.3 | 43.4 | 0 | 0 | 0 | 0 | 107.9 | N57 N253 P254 I259 | N57-T257 WeakPolarHBondContact ND2-CG2 3.32Å; N57-T257 PolarHBondContact ND2-N 3.3Å; N253-T257 PolarHBondContact O-N 2.95Å; P254-T257 PolarHBondContact O-OG1 3.32Å; T257-I259 VanDerWaalsContact C-N 3.29Å; T257-I259 PolarHBondContact O-N 2.77Å |
| 258 | V | 52.6 | Low | 63.4 | Low | 48 Ų | 48 | 76.3 Ų | 76.3 | 29% | 0.291 | 41% | 0.414 | S | S | . | . | trans | -68.5 | 95.2 | 166.8 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | L52 T200 L256 | L52-V258 HydrophobicContact CD1-CG1 4.18Å; L52-V258 HydrophobicContact CD2-CG1 4.03Å; T200-V258 VanDerWaalsContact CB-CG2 3.48Å; T200-V258 HydrophobicContact CG2-CB 4.39Å; T200-V258 HydrophobicContact CG2-CG2 3.51Å; L256-V258 PolarHBondContact O-N 2.96Å | ||
| 259 | I | 52.4 | Low | 62.2 | Low | 108 Ų | 108 | 78.4 Ų | 78.4 | 55% | 0.554 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 131.7 | 166.2 | -55.3 | 166.7 | 0 | 0 | 0 | 105.4 | T257 | T257-I259 VanDerWaalsContact C-N 3.29Å; T257-I259 PolarHBondContact O-N 2.77Å |
| 260 | V | 47.1 | Very low | 61.4 | Low | 35 Ų | 35 | 78.8 Ų | 78.8 | 21% | 0.212 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -47.2 | 131.3 | 174.9 | 174.3 | 0 | 0 | 0 | 0 | 108.8 | L52 D262 | L52-V260 HydrophobicContact CD1-CG2 4.36Å; V260-D262 PolarHBondContact O-N 2.76Å; V260-D262 VanDerWaalsContact O-N 3.13Å |
| 261 | P | 50.1 | Low | 60.9 | Low | 71 Ų | 71 | 83 Ų | 83 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 121.7 | 179.8 | -23.4 | 31.2 | 0 | 0 | 0 | 110.7 | D263 D264 | P261-D263 PolarHBondContact O-N 3.44Å; P261-D263 VanDerWaalsContact O-N 3.08Å; P261-D264 PolarHBondContact O-N 3.15Å |
| 262 | D | 50.2 | Low | 60.8 | Low | 107 Ų | 107 | 80.4 Ų | 80.4 | 57% | 0.572 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58 | -22.4 | 178.1 | -81.4 | -48.6 | 0 | 0 | 0 | 112.2 | V260 R265 S266 | V260-D262 PolarHBondContact O-N 2.76Å; V260-D262 VanDerWaalsContact O-N 3.13Å; D262-R265 PolarHBondContact O-N 3.2Å; D262-S266 WeakPolarHBondContact O-CB 3.22Å; D262-S266 PolarHBondContact O-N 2.87Å; D262-S266 PolarHBondContact O-OG 2.98Å |
| 263 | D | 51.3 | Low | 60.8 | Low | 126 Ų | 126 | 80.1 Ų | 80.1 | 67% | 0.674 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 178.8 | -68.2 | -31.6 | 0 | 0 | 0 | 112.1 | P261 S266 L267 | P261-D263 PolarHBondContact O-N 3.44Å; P261-D263 VanDerWaalsContact O-N 3.08Å; D263-S266 PolarHBondContact O-N 2.89Å; D263-S266 PolarHBondContact O-OG 3.37Å; D263-L267 WeakPolarHBondContact O-CB 3.41Å; D263-L267 PolarHBondContact O-N 2.85Å |
| 264 | D | 56.2 | Low | 61.5 | Low | 98 Ų | 98 | 84.1 Ų | 84.1 | 52% | 0.524 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.9 | -35.1 | 179.4 | -70.4 | -21.7 | 0 | 0 | 0 | 111.9 | P261 L267 I268 | P261-D264 PolarHBondContact O-N 3.15Å; D264-L267 PolarHBondContact O-N 2.77Å; D264-I268 WeakPolarHBondContact O-CB 3.27Å; D264-I268 WeakPolarHBondContact O-CD1 3.45Å; D264-I268 VanDerWaalsContact O-CG1 3.26Å; D264-I268 WeakPolarHBondContact O-CG1 3.36Å; D264-I268 PolarHBondContact O-N 2.8Å |
| 265 | R | 56.5 | Low | 62.4 | Low | 70 Ų | 70 | 81.9 Ų | 81.9 | 26% | 0.264 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 175 | -168.3 | 179.9 | -175.6 | -169 | 5 | 111.3 | F42 K43 D262 N269 | F42-R265 VanDerWaalsContact O-CZ 3.27Å; F42-R265 PolarHBondContact O-NE 2.77Å; F42-R265 PolarHBondContact O-NH2 2.89Å; K43-R265 VanDerWaalsContact C-NH2 3.33Å; K43-R265 PolarHBondContact O-NH2 3.14Å; D262-R265 PolarHBondContact O-N 3.2Å; R265-N269 WeakPolarHBondContact O-CB 3.36Å; R265-N269 PolarHBondContact O-N 2.85Å |
| 266 | S | 57.4 | Low | 63.4 | Low | 65 Ų | 65 | 73.8 Ų | 73.8 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.1 | -39.5 | 177 | 79.3 | 0 | 0 | 0 | 0 | 111.2 | D262 D263 L270 | D262-S266 WeakPolarHBondContact O-CB 3.22Å; D262-S266 PolarHBondContact O-N 2.87Å; D262-S266 PolarHBondContact O-OG 2.98Å; D263-S266 PolarHBondContact O-N 2.89Å; D263-S266 PolarHBondContact O-OG 3.37Å; S266-L270 WeakPolarHBondContact O-CB 3.21Å; S266-L270 PolarHBondContact O-N 3.13Å |
| 267 | L | 64.6 | Low | 64.8 | Low | 91 Ų | 91 | 81.2 Ų | 81.2 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 177.6 | -163.6 | 101.8 | 0 | 0 | 0 | 111.5 | D263 D264 L270 H271 | D263-L267 WeakPolarHBondContact O-CB 3.41Å; D263-L267 PolarHBondContact O-N 2.85Å; D264-L267 PolarHBondContact O-N 2.77Å; L267-L270 PolarHBondContact O-N 2.89Å; L267-H271 WeakPolarHBondContact O-CB 3.1Å; L267-H271 PolarHBondContact O-CD2 3.47Å; L267-H271 PolarHBondContact O-N 2.96Å |
| 268 | I | 67.9 | Low | 66.3 | Low | 78 Ų | 78 | 84.4 Ų | 84.4 | 40% | 0.4 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.5 | -68.9 | 166 | 0 | 0 | 0 | 110.7 | D264 H271 L272 | D264-I268 WeakPolarHBondContact O-CB 3.27Å; D264-I268 WeakPolarHBondContact O-CD1 3.45Å; D264-I268 VanDerWaalsContact O-CG1 3.26Å; D264-I268 WeakPolarHBondContact O-CG1 3.36Å; D264-I268 PolarHBondContact O-N 2.8Å; I268-H271 PolarHBondContact O-N 3.14Å; I268-L272 HydrophobicContact CG2-CD1 3.6Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 WeakPolarHBondContact O-CD1 3.48Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 2.85Å |
| 269 | N | 66.1 | Low | 67.9 | Low | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 176.2 | -172.6 | 30.1 | 0 | 0 | 0 | 112 | R265 L272 M273 | R265-N269 WeakPolarHBondContact O-CB 3.36Å; R265-N269 PolarHBondContact O-N 2.85Å; N269-L272 PolarHBondContact O-N 3.37Å; N269-M273 WeakPolarHBondContact O-CB 3.44Å; N269-M273 PolarHBondContact O-N 2.83Å |
| 270 | L | 71.9 | Confident | 69.5 | Low | 110 Ų | 110 | 81.9 Ų | 81.9 | 58% | 0.576 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.9 | -45.6 | 174.6 | -174.8 | 75.7 | 0 | 0 | 0 | 110.7 | S266 L267 M273 H274 | S266-L270 WeakPolarHBondContact O-CB 3.21Å; S266-L270 PolarHBondContact O-N 3.13Å; L267-L270 PolarHBondContact O-N 2.89Å; L270-M273 PolarHBondContact O-N 2.66Å; L270-H274 VanDerWaalsContact O-CB 3.25Å; L270-H274 WeakPolarHBondContact O-CB 3.37Å; L270-H274 PolarHBondContact O-N 2.63Å |
| 271 | H | 77.6 | Confident | 71.4 | Confident | 111 Ų | 111 | 83.1 Ų | 83.1 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 177.3 | -73.8 | -58.1 | 0 | 0 | 0 | 112.3 | L267 I268 T275 | L267-H271 WeakPolarHBondContact O-CB 3.1Å; L267-H271 PolarHBondContact O-CD2 3.47Å; L267-H271 PolarHBondContact O-N 2.96Å; I268-H271 PolarHBondContact O-N 3.14Å; H271-T275 WeakPolarHBondContact O-CB 3.18Å; H271-T275 VanDerWaalsContact O-CG2 3.22Å; H271-T275 WeakPolarHBondContact O-CG2 3.46Å; H271-T275 PolarHBondContact O-N 3.24Å; H271-T275 PolarHBondContact O-OG1 3.34Å |
| 272 | L | 76.7 | Confident | 73.2 | Confident | 24 Ų | 24 | 83.2 Ų | 83.2 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 174.9 | -82.7 | 157.5 | 0 | 0 | 0 | 112.2 | F35 I38 F42 I268 N269 T275 S276 | F35-L272 HydrophobicContact CB-CD2 3.88Å; F35-L272 HydrophobicContact CD1-CD2 4.19Å; F35-L272 HydrophobicContact CG-CD2 4.1Å; I38-L272 HydrophobicContact CG2-CD1 4.19Å; I38-L272 HydrophobicContact CG2-CD2 4.38Å; F42-L272 HydrophobicContact CD2-CD1 4.18Å; I268-L272 HydrophobicContact CG2-CD1 3.6Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 WeakPolarHBondContact O-CD1 3.48Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 2.85Å; N269-L272 PolarHBondContact O-N 3.37Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-OG1 2.7Å; L272-S276 VanDerWaalsContact O-CB 3.23Å; L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.9Å; L272-S276 PolarHBondContact O-OG 2.83Å |
| 273 | M | 75.5 | Confident | 75 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.1 | -43.9 | 177.8 | -169.3 | -172.9 | -59.3 | 0 | 0 | 111.6 | N269 L270 S276 Y277 | N269-M273 WeakPolarHBondContact O-CB 3.44Å; N269-M273 PolarHBondContact O-N 2.83Å; L270-M273 PolarHBondContact O-N 2.66Å; M273-S276 WeakPolarHBondContact CA-OG 3.39Å; M273-S276 PolarHBondContact O-OG 2.83Å; M273-Y277 VanDerWaalsContact O-CB 3.28Å; M273-Y277 WeakPolarHBondContact O-CB 3.28Å; M273-Y277 PolarHBondContact O-N 2.81Å |
| 274 | H | 81.3 | Confident | 76.7 | Confident | 132 Ų | 132 | 78 Ų | 78 | 61% | 0.611 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 178.6 | -174.2 | -91.8 | 0 | 0 | 0 | 111.8 | L270 F278 | L270-H274 VanDerWaalsContact O-CB 3.25Å; L270-H274 WeakPolarHBondContact O-CB 3.37Å; L270-H274 PolarHBondContact O-N 2.63Å; H274-F278 PolarHBondContact O-N 3.47Å; H274-F278 VanDerWaalsContact O-N 3.09Å |
| 275 | T | 81.9 | Confident | 78.2 | Confident | 56 Ų | 56 | 77.2 Ų | 77.2 | 34% | 0.344 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.1 | -45.1 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 112 | H271 L272 Y277 F278 L279 | H271-T275 WeakPolarHBondContact O-CB 3.18Å; H271-T275 VanDerWaalsContact O-CG2 3.22Å; H271-T275 WeakPolarHBondContact O-CG2 3.46Å; H271-T275 PolarHBondContact O-N 3.24Å; H271-T275 PolarHBondContact O-OG1 3.34Å; L272-T275 WeakPolarHBondContact CA-OG1 3.49Å; L272-T275 PolarHBondContact O-OG1 2.7Å; T275-Y277 PolarHBondContact O-N 3.32Å; T275-F278 PolarHBondContact O-N 3.33Å; T275-L279 VanDerWaalsContact O-CG 3.32Å; T275-L279 WeakPolarHBondContact O-CG 3.3Å; T275-L279 PolarHBondContact O-N 3.28Å; T275-L279 VanDerWaalsContact O-N 3.07Å |
| 276 | S | 82.2 | Confident | 79.5 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.028 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175.9 | 57.9 | 0 | 0 | 0 | 0 | 112 | L272 M273 F278 L279 F280 | L272-S276 VanDerWaalsContact O-CB 3.23Å; L272-S276 WeakPolarHBondContact O-CB 3.42Å; L272-S276 PolarHBondContact O-N 2.9Å; L272-S276 PolarHBondContact O-OG 2.83Å; M273-S276 WeakPolarHBondContact CA-OG 3.39Å; M273-S276 PolarHBondContact O-OG 2.83Å; S276-F278 VanDerWaalsContact C-N 3.35Å; S276-F278 PolarHBondContact O-N 3.46Å; S276-L279 PolarHBondContact O-N 3.08Å; S276-F280 WeakPolarHBondContact O-CD2 3.21Å; S276-F280 PolarHBondContact O-N 3.11Å |
| 277 | Y | 84.9 | Confident | 80.8 | Confident | 164 Ų | 164 | 78.8 Ų | 78.8 | 64% | 0.643 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57 | -46.5 | 175.9 | 179.8 | -100.4 | 0 | 0 | 0 | 112.2 | M273 T275 L279 F280 V281 | M273-Y277 VanDerWaalsContact O-CB 3.28Å; M273-Y277 WeakPolarHBondContact O-CB 3.28Å; M273-Y277 PolarHBondContact O-N 2.81Å; T275-Y277 PolarHBondContact O-N 3.32Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 2.96Å; Y277-F280 PolarHBondContact O-N 3.27Å; Y277-V281 HydrophobicContact CD1-CG2 4.32Å; Y277-V281 HydrophobicContact CE1-CG2 3.89Å; Y277-V281 HydrophobicContact CE2-CG2 4.29Å; Y277-V281 WeakPolarHBondContact O-CG2 3.02Å; Y277-V281 PolarHBondContact O-N 2.73Å |
| 278 | F | 87 | Confident | 81.8 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 52% | 0.522 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 176.8 | -179.3 | -98.5 | 0 | 0 | 0 | 112.1 | H274 T275 S276 F280 V281 M282 | H274-F278 PolarHBondContact O-N 3.47Å; H274-F278 VanDerWaalsContact O-N 3.09Å; T275-F278 PolarHBondContact O-N 3.33Å; S276-F278 VanDerWaalsContact C-N 3.35Å; S276-F278 PolarHBondContact O-N 3.46Å; F278-F280 PolarHBondContact O-N 2.97Å; F278-V281 PolarHBondContact O-N 3.36Å; F278-M282 HydrophobicContact CD1-CG 4.48Å; F278-M282 HydrophobicContact CD1-SD 4.35Å; F278-M282 HydrophobicContact CE1-CG 4.06Å; F278-M282 HydrophobicContact CE1-SD 3.55Å; F278-M282 VanDerWaalsContact CE1-SD 3.55Å; F278-M282 HydrophobicContact CZ-CG 4.2Å; F278-M282 HydrophobicContact CZ-SD 3.89Å; F278-M282 PolarHBondContact O-N 3.42Å |
| 279 | L | 86 | Confident | 82.5 | Confident | 30 Ų | 30 | 78.5 Ų | 78.5 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.5 | -63.3 | 174.9 | 0 | 0 | 0 | 111.9 | V28 V31 A32 F35 T275 S276 Y277 M282 V283 | V28-L279 HydrophobicContact CG1-CB 4.24Å; V28-L279 HydrophobicContact CG1-CD2 4.06Å; V31-L279 HydrophobicContact CG1-CD1 3.89Å; A32-L279 HydrophobicContact CB-CB 3.87Å; A32-L279 HydrophobicContact CB-CD1 4.26Å; F35-L279 HydrophobicContact CD2-CD1 3.96Å; F35-L279 HydrophobicContact CE2-CD1 4.1Å; T275-L279 VanDerWaalsContact O-CG 3.32Å; T275-L279 WeakPolarHBondContact O-CG 3.3Å; T275-L279 PolarHBondContact O-N 3.28Å; T275-L279 VanDerWaalsContact O-N 3.07Å; S276-L279 PolarHBondContact O-N 3.08Å; Y277-L279 VanDerWaalsContact C-N 3.35Å; Y277-L279 PolarHBondContact O-N 2.96Å; L279-M282 PolarHBondContact O-N 3.1Å; L279-V283 WeakPolarHBondContact O-CG2 3.39Å; L279-V283 PolarHBondContact O-N 2.97Å |
| 280 | F | 86 | Confident | 83.2 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.2 | -86.1 | -72.7 | 0 | 0 | 0 | 112.8 | A32 L36 S276 Y277 F278 M282 V283 I284 | A32-F280 HydrophobicContact CB-CD2 4.23Å; A32-F280 HydrophobicContact CB-CE2 3.84Å; A32-F280 HydrophobicContact CB-CZ 4.14Å; L36-F280 HydrophobicContact CD1-CD2 4.41Å; L36-F280 HydrophobicContact CD1-CE2 3.31Å; L36-F280 HydrophobicContact CD1-CZ 3.63Å; L36-F280 HydrophobicContact CG-CE2 3.93Å; S276-F280 WeakPolarHBondContact O-CD2 3.21Å; S276-F280 PolarHBondContact O-N 3.11Å; Y277-F280 PolarHBondContact O-N 3.27Å; F278-F280 PolarHBondContact O-N 2.97Å; F280-M282 VanDerWaalsContact C-N 3.32Å; F280-M282 PolarHBondContact O-N 3.39Å; F280-V283 PolarHBondContact O-N 3.5Å; F280-I284 VanDerWaalsContact O-CG1 3.3Å; F280-I284 WeakPolarHBondContact O-CG1 3.16Å; F280-I284 PolarHBondContact O-N 3.34Å |
| 281 | V | 88.4 | Confident | 83.6 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.2 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | Y277 F278 V283 I284 T285 | Y277-V281 HydrophobicContact CD1-CG2 4.32Å; Y277-V281 HydrophobicContact CE1-CG2 3.89Å; Y277-V281 HydrophobicContact CE2-CG2 4.29Å; Y277-V281 WeakPolarHBondContact O-CG2 3.02Å; Y277-V281 PolarHBondContact O-N 2.73Å; F278-V281 PolarHBondContact O-N 3.36Å; V281-V283 PolarHBondContact O-N 3.24Å; V281-I284 PolarHBondContact O-N 2.94Å; V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.44Å; V281-T285 VanDerWaalsContact O-CG2 3.25Å; V281-T285 WeakPolarHBondContact O-CG2 3.39Å; V281-T285 PolarHBondContact O-N 3.16Å; V281-T285 PolarHBondContact O-OG1 3.31Å |
| 282 | M | 87.3 | Confident | 83.7 | Confident | 73 Ų | 73 | 73.1 Ų | 73.1 | 36% | 0.36 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 174.3 | -72.9 | -160 | 99.5 | 0 | 0 | 112.4 | F278 L279 F280 T285 M286 | F278-M282 HydrophobicContact CD1-CG 4.48Å; F278-M282 HydrophobicContact CD1-SD 4.35Å; F278-M282 HydrophobicContact CE1-CG 4.06Å; F278-M282 HydrophobicContact CE1-SD 3.55Å; F278-M282 VanDerWaalsContact CE1-SD 3.55Å; F278-M282 HydrophobicContact CZ-CG 4.2Å; F278-M282 HydrophobicContact CZ-SD 3.89Å; F278-M282 PolarHBondContact O-N 3.42Å; L279-M282 PolarHBondContact O-N 3.1Å; F280-M282 VanDerWaalsContact C-N 3.32Å; F280-M282 PolarHBondContact O-N 3.39Å; M282-T285 WeakPolarHBondContact CA-OG1 3.3Å; M282-T285 PolarHBondContact O-OG1 2.04Å; M282-M286 WeakPolarHBondContact O-CB 3.3Å; M282-M286 VanDerWaalsContact O-CG 3.26Å; M282-M286 WeakPolarHBondContact O-CG 3.14Å; M282-M286 PolarHBondContact O-N 3.31Å |
| 283 | V | 87.8 | Confident | 83.5 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 178 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | M25 V28 L279 F280 V281 T285 M286 F287 | M25-V283 HydrophobicContact CE-CB 4.28Å; M25-V283 HydrophobicContact CE-CG1 3.81Å; M25-V283 VanDerWaalsContact CE-O 3.26Å; M25-V283 WeakPolarHBondContact CE-O 3.41Å; V28-V283 HydrophobicContact CB-CG2 4.27Å; V28-V283 HydrophobicContact CG1-CG2 3.64Å; L279-V283 WeakPolarHBondContact O-CG2 3.39Å; L279-V283 PolarHBondContact O-N 2.97Å; F280-V283 PolarHBondContact O-N 3.5Å; V281-V283 PolarHBondContact O-N 3.24Å; V283-T285 PolarHBondContact O-N 3.24Å; V283-M286 PolarHBondContact O-N 3.06Å; V283-F287 WeakPolarHBondContact O-CB 2.98Å; V283-F287 PolarHBondContact O-N 2.86Å |
| 284 | I | 87 | Confident | 82.9 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 179.8 | -67.7 | 166.9 | 0 | 0 | 0 | 110.6 | F280 V281 M286 F287 C288 | F280-I284 VanDerWaalsContact O-CG1 3.3Å; F280-I284 WeakPolarHBondContact O-CG1 3.16Å; F280-I284 PolarHBondContact O-N 3.34Å; V281-I284 PolarHBondContact O-N 2.94Å; I284-M286 PolarHBondContact O-N 2.78Å; I284-F287 PolarHBondContact O-N 2.75Å; I284-C288 WeakPolarHBondContact O-CB 3.49Å; I284-C288 PolarHBondContact O-N 3Å; I284-C288 PolarHBondContact O-SG 3.34Å |
| 285 | T | 87.6 | Confident | 82 | Confident | 80 Ų | 80 | 77 Ų | 77 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 179.7 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | V281 M282 V283 C288 Y289 | V281-T285 HydrophobicContact CG1-CG2 4.27Å; V281-T285 WeakPolarHBondContact O-CB 3.44Å; V281-T285 VanDerWaalsContact O-CG2 3.25Å; V281-T285 WeakPolarHBondContact O-CG2 3.39Å; V281-T285 PolarHBondContact O-N 3.16Å; V281-T285 PolarHBondContact O-OG1 3.31Å; M282-T285 WeakPolarHBondContact CA-OG1 3.3Å; M282-T285 PolarHBondContact O-OG1 2.04Å; V283-T285 PolarHBondContact O-N 3.24Å; T285-C288 PolarHBondContact O-N 2.99Å; T285-Y289 WeakPolarHBondContact O-CB 3.22Å; T285-Y289 PolarHBondContact O-N 3.1Å |
| 286 | M | 84.8 | Confident | 80.7 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 30% | 0.3 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 173.4 | -77.3 | -80.1 | 170.6 | 0 | 0 | 112.6 | L21 M25 M282 V283 I284 Y289 A290 | L21-M286 HydrophobicContact CD2-SD 3.92Å; M25-M286 HydrophobicContact CE-CB 3.39Å; M25-M286 HydrophobicContact CE-CG 4.47Å; M25-M286 HydrophobicContact CG-CB 4.46Å; M25-M286 HydrophobicContact SD-CB 3.2Å; M25-M286 WeakPolarHBondContact SD-CB 2.97Å; M25-M286 HydrophobicContact SD-CG 3.69Å; M282-M286 WeakPolarHBondContact O-CB 3.3Å; M282-M286 VanDerWaalsContact O-CG 3.26Å; M282-M286 WeakPolarHBondContact O-CG 3.14Å; M282-M286 PolarHBondContact O-N 3.31Å; V283-M286 PolarHBondContact O-N 3.06Å; I284-M286 PolarHBondContact O-N 2.78Å; M286-Y289 WeakPolarHBondContact O-CB 3.38Å; M286-Y289 PolarHBondContact O-N 3.15Å; M286-A290 WeakPolarHBondContact O-CB 3.27Å; M286-A290 PolarHBondContact O-N 3.17Å |
| 287 | F | 84.6 | Confident | 79.3 | Confident | 108 Ų | 108 | 80.4 Ų | 80.4 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 174.5 | -176 | -97 | 0 | 0 | 0 | 111.5 | L11 V283 I284 Y289 A290 V291 | L11-F287 HydrophobicContact CD1-CD2 4.26Å; L11-F287 HydrophobicContact CD1-CE2 3.87Å; L11-F287 HydrophobicContact CD2-CE2 3.91Å; L11-F287 HydrophobicContact CD2-CZ 4.28Å; V283-F287 WeakPolarHBondContact O-CB 2.98Å; V283-F287 PolarHBondContact O-N 2.86Å; I284-F287 PolarHBondContact O-N 2.75Å; F287-Y289 VanDerWaalsContact C-N 3.28Å; F287-Y289 PolarHBondContact O-N 3.5Å; F287-A290 WeakPolarHBondContact O-CB 3.43Å; F287-A290 PolarHBondContact O-N 3.12Å; F287-A290 VanDerWaalsContact O-N 3.11Å; F287-V291 HydrophobicContact CD1-CG2 4.26Å; F287-V291 HydrophobicContact CE1-CG2 3.9Å; F287-V291 HydrophobicContact CZ-CG2 4.17Å; F287-V291 WeakPolarHBondContact O-CG2 3.2Å; F287-V291 PolarHBondContact O-N 2.93Å |
| 288 | C | 85.3 | Confident | 77.4 | Confident | 59 Ų | 59 | 82.5 Ų | 82.5 | 40% | 0.399 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.5 | -41.6 | 173.2 | -68.8 | 0 | 0 | 0 | 0 | 111.4 | I284 T285 A290 V291 I292 | I284-C288 WeakPolarHBondContact O-CB 3.49Å; I284-C288 PolarHBondContact O-N 3Å; I284-C288 PolarHBondContact O-SG 3.34Å; T285-C288 PolarHBondContact O-N 2.99Å; C288-A290 VanDerWaalsContact C-N 3.34Å; C288-A290 PolarHBondContact O-N 3.39Å; C288-V291 PolarHBondContact O-N 3.36Å; C288-I292 WeakPolarHBondContact O-CB 3.22Å; C288-I292 WeakPolarHBondContact O-CD1 3.24Å; C288-I292 VanDerWaalsContact O-CG1 3.25Å; C288-I292 WeakPolarHBondContact O-CG1 3.43Å; C288-I292 PolarHBondContact O-N 2.81Å |
| 289 | Y | 83.2 | Confident | 75.4 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 174.8 | 179 | -99.3 | 0 | 0 | 0 | 112.4 | Y14 T285 M286 F287 I292 K293 | Y14-Y289 AromaticContact CE2-CD1 3.95Å; Y14-Y289 HydrophobicContact CE2-CD1 3.95Å; Y14-Y289 AromaticContact CE2-CE1 3.98Å; Y14-Y289 HydrophobicContact CE2-CE1 3.98Å; T285-Y289 WeakPolarHBondContact O-CB 3.22Å; T285-Y289 PolarHBondContact O-N 3.1Å; M286-Y289 WeakPolarHBondContact O-CB 3.38Å; M286-Y289 PolarHBondContact O-N 3.15Å; F287-Y289 VanDerWaalsContact C-N 3.28Å; F287-Y289 PolarHBondContact O-N 3.5Å; Y289-I292 PolarHBondContact O-N 3.28Å; Y289-K293 HydrophobicContact CD2-CB 4.49Å; Y289-K293 HydrophobicContact CD2-CD 4.26Å; Y289-K293 HydrophobicContact CE1-CD 4.2Å; Y289-K293 HydrophobicContact CE2-CB 4.29Å; Y289-K293 HydrophobicContact CE2-CD 3.34Å; Y289-K293 HydrophobicContact CE2-CG 4.48Å; Y289-K293 VanDerWaalsContact O-CB 3.31Å; Y289-K293 WeakPolarHBondContact O-CB 3.2Å; Y289-K293 PolarHBondContact O-N 2.87Å; Y289-K293 WeakPolarHBondContact OH-CD 3.16Å; Y289-K293 PolarHBondContact OH-NZ 2.03Å |
| 290 | A | 80.3 | Confident | 73.2 | Confident | 3 Ų | 3 | 92.9 Ų | 92.9 | 3% | 0.025 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L11 Y14 M286 F287 C288 G294 | L11-A290 HydrophobicContact CD1-CB 4.08Å; Y14-A290 HydrophobicContact CD1-CB 3.38Å; Y14-A290 HydrophobicContact CD2-CB 3.95Å; Y14-A290 HydrophobicContact CE1-CB 3.59Å; Y14-A290 HydrophobicContact CE2-CB 4.13Å; Y14-A290 HydrophobicContact CG-CB 3.55Å; M286-A290 WeakPolarHBondContact O-CB 3.27Å; M286-A290 PolarHBondContact O-N 3.17Å; F287-A290 WeakPolarHBondContact O-CB 3.43Å; F287-A290 PolarHBondContact O-N 3.12Å; F287-A290 VanDerWaalsContact O-N 3.11Å; C288-A290 VanDerWaalsContact C-N 3.34Å; C288-A290 PolarHBondContact O-N 3.39Å; A290-G294 WeakPolarHBondContact O-CA 3.03Å; A290-G294 PolarHBondContact O-N 3.1Å |
| 291 | V | 79.6 | Confident | 70.9 | Confident | 26 Ų | 26 | 97.6 Ų | 97.6 | 16% | 0.158 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 179 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | P7 N10 F287 C288 | P7-V291 HydrophobicContact CB-CG1 3.84Å; N10-V291 WeakPolarHBondContact CB-O 3.38Å; N10-V291 PolarHBondContact ND2-O 2.98Å; F287-V291 HydrophobicContact CD1-CG2 4.26Å; F287-V291 HydrophobicContact CE1-CG2 3.9Å; F287-V291 HydrophobicContact CZ-CG2 4.17Å; F287-V291 WeakPolarHBondContact O-CG2 3.2Å; F287-V291 PolarHBondContact O-N 2.93Å; C288-V291 PolarHBondContact O-N 3.36Å |
| 292 | I | 80.6 | Confident | 68.3 | Low | 124 Ų | 124 | 101.2 Ų | 101.2 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -79.7 | -41.2 | -177.8 | -64.2 | 165.8 | 0 | 0 | 0 | 111.7 | C288 Y289 | C288-I292 WeakPolarHBondContact O-CB 3.22Å; C288-I292 WeakPolarHBondContact O-CD1 3.24Å; C288-I292 VanDerWaalsContact O-CG1 3.25Å; C288-I292 WeakPolarHBondContact O-CG1 3.43Å; C288-I292 PolarHBondContact O-N 2.81Å; Y289-I292 PolarHBondContact O-N 3.28Å |
| 293 | K | 71.5 | Confident | 65.8 | Low | 130 Ų | 130 | 104 Ų | 104 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -108.2 | -4.9 | -169.3 | -149.9 | -179.7 | -179.3 | 174 | 0 | 114.2 | Y289 R295 | Y289-K293 HydrophobicContact CD2-CB 4.49Å; Y289-K293 HydrophobicContact CD2-CD 4.26Å; Y289-K293 HydrophobicContact CE1-CD 4.2Å; Y289-K293 HydrophobicContact CE2-CB 4.29Å; Y289-K293 HydrophobicContact CE2-CD 3.34Å; Y289-K293 HydrophobicContact CE2-CG 4.48Å; Y289-K293 VanDerWaalsContact O-CB 3.31Å; Y289-K293 WeakPolarHBondContact O-CB 3.2Å; Y289-K293 PolarHBondContact O-N 2.87Å; Y289-K293 WeakPolarHBondContact OH-CD 3.16Å; Y289-K293 PolarHBondContact OH-NZ 2.03Å; K293-R295 PolarHBondContact O-N 3.04Å |
| 294 | G | 64.8 | Low | 63.8 | Low | 5 Ų | 5 | 108.6 Ų | 108.6 | 5% | 0.052 | 55% | 0.551 | C | S | . | * | trans | -62.5 | 95.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.4 | N10 A290 | N10-G294 VanDerWaalsContact CA-O 3.28Å; N10-G294 WeakPolarHBondContact CA-O 3.26Å; N10-G294 WeakPolarHBondContact CB-O 3.25Å; N10-G294 WeakPolarHBondContact O-CA 3.37Å; N10-G294 PolarHBondContact OD1-O 3.38Å; A290-G294 WeakPolarHBondContact O-CA 3.03Å; A290-G294 PolarHBondContact O-N 3.1Å | ||
| 295 | R | 61.1 | Low | 61.3 | Low | 213 Ų | 213 | 110.2 Ų | 110.2 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | trans | -68 | 132.3 | 172.9 | -75 | -176.9 | 177.7 | 178.1 | -1.1 | 107.9 | K293 G297 | K293-R295 PolarHBondContact O-N 3.04Å; R295-G297 PolarHBondContact O-N 3.15Å | ||
| 296 | P | 55.6 | Low | 58.9 | Low | 82 Ų | 82 | 115.4 Ų | 115.4 | 53% | 0.532 | 58% | 0.576 | S | S | . | * | trans | -60.7 | 114.6 | 172.3 | 24.3 | -30.5 | 0 | 0 | 0 | 107.2 | K298 | P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.13Å | ||
| 297 | G | 52.5 | Low | 56.5 | Low | 49 Ų | 49 | 118.6 Ų | 118.6 | 51% | 0.505 | 60% | 0.603 | S | S | . | * | trans | -60 | 119.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | R295 V299 | R295-G297 PolarHBondContact O-N 3.15Å; G297-V299 PolarHBondContact O-N 3.3Å | ||
| 298 | K | 45 | Very low | 54.4 | Low | 209 Ų | 209 | 118.7 Ų | 118.7 | 91% | 0.909 | 62% | 0.615 | S | S | * | * | trans | -58.1 | 109.6 | 168 | -82.7 | -175.2 | 175.5 | -177.6 | 0 | 107 | P296 R300 | P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.13Å; K298-R300 PolarHBondContact O-N 2.92Å | ||
| 299 | V | 45.2 | Very low | 51.9 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | trans | -57.1 | 106.5 | 166.7 | 176.7 | 0 | 0 | 0 | 0 | 106 | G297 Q301 | G297-V299 PolarHBondContact O-N 3.3Å; V299-Q301 PolarHBondContact O-N 3.05Å | ||
| 300 | R | 39.7 | Very low | 49.5 | Very low | 231 Ų | 231 | 129.3 Ų | 129.3 | 87% | 0.872 | 66% | 0.659 | S | S | * | * | trans | -68.5 | 104 | 171.6 | -164.9 | 176 | -172.6 | 176.4 | 0.6 | 105.3 | K298 T302 | K298-R300 PolarHBondContact O-N 2.92Å; R300-T302 PolarHBondContact O-N 3.47Å | ||
| 301 | Q | 38.2 | Very low | 47.7 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | trans | -56.3 | 108.2 | 166.1 | -83.7 | 176.8 | -31.6 | 0 | 0 | 107.3 | V299 I303 | V299-Q301 PolarHBondContact O-N 3.05Å; Q301-I303 PolarHBondContact O-N 3.19Å; Q301-I303 VanDerWaalsContact O-N 3.16Å | ||
| 302 | T | 33.1 | Very low | 45.7 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | trans | -69.2 | 103.1 | 167.6 | 3.3 | 0 | 0 | 0 | 0 | 107.2 | R300 | R300-T302 PolarHBondContact O-N 3.47Š| ||
| 303 | I | 33.7 | Very low | 43.6 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 68% | 0.677 | 73% | 0.728 | S | S | * | * | trans | -67.2 | 129 | 163.1 | -64.6 | 166.8 | 0 | 0 | 0 | 107 | Q301 D305 | Q301-I303 PolarHBondContact O-N 3.19Å; Q301-I303 VanDerWaalsContact O-N 3.16Å; I303-D305 HydrophobicContact CG2-CB 4.45Å; I303-D305 WeakPolarHBondContact CG2-OD2 3.3Å; I303-D305 PolarHBondContact O-N 3.22Å | ||
| 304 | P | 46.2 | Very low | 42 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | -93.1 | 90.5 | 175.9 | 34.5 | -25.9 | 0 | 0 | 0 | 109.2 | ||||
| 305 | D | 34.8 | Very low | 40.6 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -120.1 | 103 | 170.3 | -80.3 | -39.6 | 0 | 0 | 0 | 110.7 | I303 | I303-D305 HydrophobicContact CG2-CB 4.45Å; I303-D305 WeakPolarHBondContact CG2-OD2 3.3Å; I303-D305 PolarHBondContact O-N 3.22Å | ||
| 306 | F | 36.4 | Very low | 39.3 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | 45.5 | 111.7 | 127.6 | -110.2 | -99 | 0 | 0 | 0 | 118.6 | |||||
| 307 | C | 35.1 | Very low | 38.5 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -155.5 | 139.8 | 132.4 | -103.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 308 | P | 41.5 | Very low | 37.7 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 72% | 0.721 | 84% | 0.843 | S | S | * | * | trans | -85.9 | 146 | -163.3 | 34.6 | -34.2 | 0 | 0 | 0 | 113.3 | K310 | P308-K310 PolarHBondContact O-N 3.05Š| ||
| 309 | E | 31.8 | Very low | 37.3 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | trans | -62.8 | 120.7 | 169.3 | -172 | 166.4 | 122.1 | 0 | 0 | 110.6 | V311 | E309-V311 HydrophobicContact CG-CG2 4.39Š| ||
| 310 | K | 33.8 | Very low | 36.8 | Very low | 207 Ų | 207 | 149.2 Ų | 149.2 | 90% | 0.9 | 84% | 0.84 | S | S | * | * | trans | -97.4 | 97.7 | 170.1 | -146.4 | -177.4 | -171 | -172.9 | 0 | 107.8 | P308 A312 | P308-K310 PolarHBondContact O-N 3.05Å; K310-A312 PolarHBondContact O-N 2.95Å | ||
| 311 | V | 42 | Very low | 36.7 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 62% | 0.624 | 84% | 0.838 | S | S | * | * | trans | -65.1 | 122.1 | 170.6 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | E309 L313 | E309-V311 HydrophobicContact CG-CG2 4.39Å; V311-L313 HydrophobicContact CG1-CB 4.47Å; V311-L313 HydrophobicContact CG1-CD1 4.45Å | ||
| 312 | A | 37.6 | Very low | 36.6 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | -115.3 | 97.3 | 162 | 0 | 0 | 0 | 0 | 0 | 107.6 | K310 | K310-A312 PolarHBondContact O-N 2.95Š| ||
| 313 | L | 37 | Very low | 36.8 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 77% | 0.77 | 84% | 0.84 | S | S | * | * | trans | -86.3 | 117.4 | 166.3 | -138.9 | 129.9 | 0 | 0 | 0 | 105.8 | V311 E315 | V311-L313 HydrophobicContact CG1-CB 4.47Å; V311-L313 HydrophobicContact CG1-CD1 4.45Å; L313-E315 HydrophobicContact CD2-CG 4.2Å | ||
| 314 | S | 36.1 | Very low | 37 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | trans | -108.6 | 106.9 | 163.9 | -166.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 315 | E | 36.3 | Very low | 36.3 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 80% | 0.799 | 86% | 0.859 | S | S | * | * | trans | -61.5 | 148.7 | 160.5 | -72.2 | 175.8 | 127.9 | 0 | 0 | 110 | L313 | L313-E315 HydrophobicContact CD2-CG 4.2Š| ||
| 316 | G | 33.1 | Very low | 36.4 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 100% | 1.546 | 87% | 0.872 | S | S | * | * | trans | -109.7 | 0 | 147.9 | 0 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 316 of 316 residues in 954.8 ms
(Link to these results)