| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 90 | Very high | 96.1 | Very high | 108 Ų | 108 | 78.1 Ų | 78.1 | 53% | 0.532 | 45% | 0.446 | S | S | . | . | 0 | -2.9 | 0 | -80.5 | -71.4 | -85.4 | 0 | 0 | 112.7 | D88 L107 C227 V229 | M1-D88 HydrophobicContact CE-CB 4.12Å; M1-L107 HydrophobicContact CE-CD1 3.32Å; M1-L107 HydrophobicContact CE-CD2 3.59Å; M1-L107 HydrophobicContact CE-CG 4.08Å; M1-L107 HydrophobicContact SD-CD1 4.14Å; M1-C227 WeakPolarHBondContact O-CB 3.49Å; M1-V229 HydrophobicContact CG-CG2 4.5Å; M1-V229 HydrophobicContact SD-CB 3.65Å; M1-V229 HydrophobicContact SD-CG1 4.03Å; M1-V229 HydrophobicContact SD-CG2 3.52Å; M1-V229 VanDerWaalsContact SD-CG2 3.52Å | |||
| 2 | E | 94.4 | Very high | 96.3 | Very high | 165 Ų | 165 | 71.6 Ų | 71.6 | 77% | 0.771 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 139.2 | -179 | -65.8 | 166.8 | -168.1 | 0 | 0 | 112.4 | C227 | E2-C227 WeakPolarHBondContact O-CB 3.49Š|
| 3 | P | 97.3 | Very high | 96.5 | Very high | 34 Ų | 34 | 71.5 Ų | 71.5 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -57.6 | 151.8 | 167.4 | -19.2 | 31.3 | 0 | 0 | 0 | 111.5 | M132 Y224 | P3-M132 HydrophobicContact CB-CE 4.16Å; P3-M132 HydrophobicContact CG-CE 3.59Å; P3-Y224 HydrophobicContact CB-CD2 4.26Å |
| 4 | A | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 139 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V10 Y222 Y224 M226 | A4-V10 HydrophobicContact CB-CG2 3.9Å; A4-Y222 HydrophobicContact CB-CD2 3.9Å; A4-Y222 HydrophobicContact CB-CE2 3.76Å; A4-Y224 WeakPolarHBondContact O-CB 3.34Å; A4-Y224 WeakPolarHBondContact O-CD2 3.42Å; A4-M226 PolarHBondContact N-O 3.28Å |
| 5 | P | 96.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 65 Ų | 65 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 148 | 172 | -22.9 | 33.4 | 0 | 0 | 0 | 111.5 | G7 V8 | P5-G7 PolarHBondContact O-N 3.2Å; P5-V8 HydrophobicContact CB-CB 4.21Å; P5-V8 HydrophobicContact CB-CG2 4.13Å; P5-V8 PolarHBondContact O-N 3.02Å |
| 6 | Q | 95.2 | Very high | 96.5 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 139.3 | 175 | -69.2 | -177.8 | 3.1 | 0 | 0 | 110.8 | V8 N136 Y224 | Q6-V8 PolarHBondContact O-N 3.29Å; Q6-N136 PolarHBondContact NE2-OD1 2.67Å; Q6-Y224 HydrophobicContact CG-CD1 3.85Å; Q6-Y224 HydrophobicContact CG-CD2 3.93Å; Q6-Y224 HydrophobicContact CG-CE1 4.27Å; Q6-Y224 HydrophobicContact CG-CE2 4.36Å; Q6-Y224 HydrophobicContact CG-CG 3.65Å |
| 7 | G | 94.6 | Very high | 96.2 | Very high | 79 Ų | 79 | 60.9 Ų | 60.9 | 81% | 0.814 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -1.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P5 | P5-G7 PolarHBondContact O-N 3.2Š|
| 8 | V | 96.8 | Very high | 95.5 | Very high | 74 Ų | 74 | 61 Ų | 61 | 45% | 0.448 | 33% | 0.333 | S | S | . | . | trans | -113.8 | 118.6 | 179.8 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | P5 Q6 N223 | P5-V8 HydrophobicContact CB-CB 4.21Å; P5-V8 HydrophobicContact CB-CG2 4.13Å; P5-V8 PolarHBondContact O-N 3.02Å; Q6-V8 PolarHBondContact O-N 3.29Å; V8-N223 PolarHBondContact O-OD1 2.87Å | ||
| 9 | T | 98 | Very high | 94.6 | Very high | 66 Ų | 66 | 68.4 Ų | 68.4 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | trans | -84.2 | 116.6 | 169.7 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | K11 D221 N223 | T9-K11 HydrophobicContact CG2-CG 4.21Å; T9-K11 PolarHBondContact O-N 3.21Å; T9-D221 HydrophobicContact CG2-CB 4.02Å; T9-N223 WeakPolarHBondContact CA-OD1 3.08Å; T9-N223 WeakPolarHBondContact CB-OD1 3.47Å; T9-N223 PolarHBondContact N-OD1 3.49Å; T9-N223 PolarHBondContact OG1-OD1 2.96Å | ||
| 10 | V | 98.4 | Very high | 93.4 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 16% | 0.158 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.5 | 170.4 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | A4 L33 D221 Y222 | A4-V10 HydrophobicContact CB-CG2 3.9Å; V10-L33 HydrophobicContact CG1-CD2 3.66Å; V10-D221 WeakPolarHBondContact O-CA 3.39Å; V10-Y222 HydrophobicContact CB-CD1 4.1Å; V10-Y222 HydrophobicContact CB-CD2 4.46Å; V10-Y222 HydrophobicContact CB-CE1 3.6Å; V10-Y222 HydrophobicContact CB-CE2 4.02Å; V10-Y222 HydrophobicContact CG1-CD1 4.43Å; V10-Y222 HydrophobicContact CG1-CE1 3.56Å; V10-Y222 WeakPolarHBondContact CG1-OH 3.41Å; V10-Y222 HydrophobicContact CG2-CE1 4.46Å; V10-Y222 HydrophobicContact CG2-CE2 4.07Å; V10-Y222 PolarHBondContact N-O 3.32Å; V10-Y222 PolarHBondContact O-N 3.24Å |
| 11 | K | 98.3 | Very high | 91.9 | Very high | 111 Ų | 111 | 70.8 Ų | 70.8 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.1 | -179.8 | -62.1 | 180 | -177.2 | 174.7 | 0 | 110.6 | T9 D34 D221 | T9-K11 HydrophobicContact CG2-CG 4.21Å; T9-K11 PolarHBondContact O-N 3.21Å; K11-D34 HydrophobicContact CB-CB 4.14Å; K11-D34 PolarHBondContact O-N 2.75Å; K11-D221 VanDerWaalsContact CA-OD1 3.27Å; K11-D221 WeakPolarHBondContact CA-OD1 3.1Å; K11-D221 WeakPolarHBondContact CB-OD1 3.23Å |
| 12 | C | 98.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 166.8 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | L31 H32 L220 D221 | C12-L31 HydrophobicContact CB-CD1 3.53Å; C12-L31 HydrophobicContact CB-CG 4.2Å; C12-H32 CarbonylContact C-O 3.49Å; C12-H32 WeakPolarHBondContact CA-O 3.12Å; C12-H32 WeakPolarHBondContact CB-O 3.19Å; C12-L220 CarbonylContact C-O 3.19Å; C12-L220 VanDerWaalsContact CA-O 3.26Å; C12-L220 WeakPolarHBondContact CA-O 3.44Å; C12-L220 HydrophobicContact CB-CB 4.39Å; C12-L220 WeakPolarHBondContact CB-O 3.25Å; C12-L220 PolarHBondContact N-O 2.82Å; C12-L220 PolarHBondContact O-N 2.92Å; C12-D221 PolarHBondContact N-OD1 3.07Å |
| 13 | R | 98 | Very high | 89.5 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 26% | 0.264 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.5 | 173.2 | -168.4 | 170.1 | -63 | -161.5 | 3.4 | 109.8 | L31 H32 D34 I217 F218 | R13-L31 WeakPolarHBondContact O-CA 3.3Å; R13-H32 PolarHBondContact N-O 3.11Å; R13-H32 PolarHBondContact O-N 2.97Å; R13-D34 IonicContact CZ-OD1 3Å; R13-D34 IonicContact NE-OD1 3.12Å; R13-D34 PolarHBondContact NE-OD1 2.84Å; R13-D34 IonicContact NH2-OD1 2.71Å; R13-D34 PolarHBondContact NH2-OD1 3.43Å; R13-D34 IonicContact NH2-OD2 3.5Å; R13-I217 HydrophobicContact CG-CG2 3.74Å; R13-F218 CarbonylContact C-O 3.54Å; R13-F218 WeakPolarHBondContact CA-O 3.37Å |
| 14 | V | 98.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.1 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | Y29 Y30 L31 F210 I217 F218 L220 F232 | V14-Y29 HydrophobicContact CG1-CD1 4.29Å; V14-Y30 CarbonylContact C-O 3.58Å; V14-Y30 VanDerWaalsContact CA-O 3.26Å; V14-Y30 WeakPolarHBondContact CA-O 3.26Å; V14-L31 HydrophobicContact CG2-CD1 3.58Å; V14-F210 HydrophobicContact CB-CE2 4.36Å; V14-F210 HydrophobicContact CG2-CE2 4.24Å; V14-I217 WeakPolarHBondContact O-CA 3.45Å; V14-F218 HydrophobicContact CB-CB 4.23Å; V14-F218 PolarHBondContact N-O 3.44Å; V14-F218 PolarHBondContact O-N 3.5Å; V14-L220 HydrophobicContact CG2-CB 3.91Å; V14-L220 HydrophobicContact CG2-CD2 4.02Å; V14-F232 HydrophobicContact CG1-CE2 4.16Å; V14-F232 HydrophobicContact CG2-CD2 4.19Å; V14-F232 HydrophobicContact CG2-CE2 4.22Å |
| 15 | T | 96.8 | Very high | 87 | Confident | 46 Ų | 46 | 71.6 Ų | 71.6 | 28% | 0.282 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.9 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | Y29 Y30 D216 | T15-Y29 CarbonylContact O-C 3.44Å; T15-Y29 WeakPolarHBondContact O-CA 3.48Å; T15-Y30 PolarHBondContact N-O 2.89Å; T15-Y30 PolarHBondContact O-N 2.81Å; T15-D216 CarbonylContact C-O 3.49Å; T15-D216 WeakPolarHBondContact CA-O 3.33Å |
| 16 | R | 94.6 | Very high | 86.5 | Confident | 47 Ų | 47 | 70.8 Ų | 70.8 | 18% | 0.177 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124 | 177.7 | -174.6 | 176.2 | 64.8 | 171.8 | -0.2 | 109.5 | Q18 P27 L28 Y29 D215 D216 | R16-Q18 HydrophobicContact CG-CG 4.02Å; R16-P27 HydrophobicContact CG-CB 3.79Å; R16-L28 CarbonylContact C-O 3.58Å; R16-Y29 HydrophobicContact CB-CD1 4.02Å; R16-Y29 HydrophobicContact CB-CE1 3.95Å; R16-Y29 HydrophobicContact CG-CD1 4Å; R16-Y29 HydrophobicContact CG-CE1 3.57Å; R16-D215 PolarHBondContact NH2-O 3.15Å; R16-D216 HydrophobicContact CB-CB 4.11Å; R16-D216 IonicContact CZ-OD1 3.93Å; R16-D216 PolarHBondContact N-O 2.79Å; R16-D216 IonicContact NE-OD1 3.97Å; R16-D216 PolarHBondContact NE-OD1 3.31Å; R16-D216 IonicContact NH2-OD1 2.8Å; R16-D216 PolarHBondContact NH2-OD1 2.77Å; R16-D216 WeakPolarHBondContact O-CB 3.35Å |
| 17 | D | 91.5 | Very high | 86.2 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.07 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 106.4 | 174.9 | -179.4 | 33.8 | 0 | 0 | 0 | 110.1 | R19 K23 L28 Y30 | D17-R19 WeakPolarHBondContact OD1-CB 3.37Å; D17-R19 IonicContact OD1-CZ 3.57Å; D17-R19 PolarHBondContact OD1-N 2.93Å; D17-R19 IonicContact OD1-NE 2.99Å; D17-R19 PolarHBondContact OD1-NE 3.42Å; D17-R19 IonicContact OD1-NH2 3.13Å; D17-K23 IonicContact OD2-NZ 2.7Å; D17-K23 PolarHBondContact OD2-NZ 3.26Å; D17-L28 PolarHBondContact N-O 3.08Å; D17-L28 PolarHBondContact O-N 3.42Å; D17-L28 VanDerWaalsContact O-N 3.11Å; D17-Y30 HydrophobicContact CB-CE2 3.75Å |
| 18 | Q | 84.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | trans | -106.6 | 11.2 | 179.1 | -78 | -178.9 | -25 | 0 | 0 | 113.1 | R16 G20 P27 | R16-Q18 HydrophobicContact CG-CG 4.02Å; Q18-G20 PolarHBondContact O-N 2.94Å; Q18-P27 HydrophobicContact CG-CB 3.66Å; Q18-P27 HydrophobicContact CG-CG 4.33Å | ||
| 19 | R | 77.9 | Confident | 86.1 | Confident | 201 Ų | 201 | 59.5 Ų | 59.5 | 76% | 0.758 | 31% | 0.307 | S | S | * | . | trans | -68.5 | 118.2 | -176 | -72.1 | 178.7 | -85.9 | -170.6 | -11.9 | 112 | D17 K23 | D17-R19 WeakPolarHBondContact OD1-CB 3.37Å; D17-R19 IonicContact OD1-CZ 3.57Å; D17-R19 PolarHBondContact OD1-N 2.93Å; D17-R19 IonicContact OD1-NE 2.99Å; D17-R19 PolarHBondContact OD1-NE 3.42Å; D17-R19 IonicContact OD1-NH2 3.13Å; R19-K23 WeakPolarHBondContact O-CB 3.06Å; R19-K23 VanDerWaalsContact O-CD 3.24Å; R19-K23 WeakPolarHBondContact O-CD 3.37Å; R19-K23 WeakPolarHBondContact O-CG 3.44Å | ||
| 20 | G | 70.3 | Confident | 86.1 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 55% | 0.546 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 102.5 | 153.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q18 D22 K23 S24 | Q18-G20 PolarHBondContact O-N 2.94Å; G20-D22 VanDerWaalsContact C-N 3.29Å; G20-D22 PolarHBondContact O-N 2.83Å; G20-K23 PolarHBondContact O-N 3.44Å; G20-S24 PolarHBondContact O-N 2.61Å |
| 21 | V | 62.1 | Low | 86.1 | Confident | 135 Ų | 135 | 57.5 Ų | 57.5 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -55.2 | -42.5 | -171.1 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | S24 | V21-S24 WeakPolarHBondContact O-CB 3.4Å; V21-S24 PolarHBondContact O-N 3.17Å |
| 22 | D | 67.6 | Low | 86.1 | Confident | 61 Ų | 61 | 54.4 Ų | 54.4 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.1 | -31.2 | 178.9 | -172.3 | 49.1 | 0 | 0 | 0 | 113.7 | G20 Y26 R45 K48 | G20-D22 VanDerWaalsContact C-N 3.29Å; G20-D22 PolarHBondContact O-N 2.83Å; D22-Y26 PolarHBondContact O-N 2.96Å; D22-Y26 VanDerWaalsContact O-N 3.11Å; D22-R45 IonicContact OD2-CZ 3.55Å; D22-R45 IonicContact OD2-NH2 2.8Å; D22-R45 PolarHBondContact OD2-NH2 2.79Å; D22-K48 VanDerWaalsContact CG-CE 3.45Å; D22-K48 WeakPolarHBondContact OD1-CE 3.4Å; D22-K48 IonicContact OD1-NZ 2.75Å; D22-K48 PolarHBondContact OD1-NZ 3.23Å; D22-K48 WeakPolarHBondContact OD2-CE 3.48Å; D22-K48 IonicContact OD2-NZ 2.66Å; D22-K48 PolarHBondContact OD2-NZ 3.28Å |
| 23 | K | 66.5 | Low | 86 | Confident | 64 Ų | 64 | 56.6 Ų | 56.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -81.9 | -17.2 | 178.9 | -62.9 | -163.1 | -169.8 | 166.3 | 0 | 112.7 | D17 R19 G20 Y26 P27 | D17-K23 IonicContact OD2-NZ 2.7Å; D17-K23 PolarHBondContact OD2-NZ 3.26Å; R19-K23 WeakPolarHBondContact O-CB 3.06Å; R19-K23 VanDerWaalsContact O-CD 3.24Å; R19-K23 WeakPolarHBondContact O-CD 3.37Å; R19-K23 WeakPolarHBondContact O-CG 3.44Å; G20-K23 PolarHBondContact O-N 3.44Å; K23-Y26 CarbonylContact O-C 3.5Å; K23-P27 WeakPolarHBondContact O-CA 3.29Å; K23-P27 WeakPolarHBondContact O-CD 3.33Å |
| 24 | S | 68.1 | Low | 85.9 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 169.6 | -177.7 | 0 | 0 | 0 | 0 | 111.3 | G20 V21 | G20-S24 PolarHBondContact O-N 2.61Å; V21-S24 WeakPolarHBondContact O-CB 3.4Å; V21-S24 PolarHBondContact O-N 3.17Å |
| 25 | L | 74.8 | Confident | 85.7 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -84.1 | -32.2 | 179.5 | -65.7 | 172.4 | 0 | 0 | 0 | 113.5 | P27 | L25-P27 VanDerWaalsContact C-CD 3.46Å |
| 26 | Y | 85.6 | Confident | 85.5 | Confident | 64 Ų | 64 | 65.8 Ų | 65.8 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -130.4 | 68.3 | -177.6 | -55.5 | -84.9 | 0 | 0 | 0 | 110.7 | D22 K23 R45 K46 K48 | D22-Y26 PolarHBondContact O-N 2.96Å; D22-Y26 VanDerWaalsContact O-N 3.11Å; K23-Y26 CarbonylContact O-C 3.5Å; Y26-R45 PolarHBondContact O-NE 2.88Å; Y26-R45 VanDerWaalsContact O-NE 3.12Å; Y26-K46 HydrophobicContact CD1-CB 4.12Å; Y26-K46 HydrophobicContact CD1-CD 4.41Å; Y26-K46 HydrophobicContact CD1-CG 4.17Å; Y26-K48 HydrophobicContact CD1-CG 4.38Å; Y26-K48 HydrophobicContact CD2-CG 4.06Å; Y26-K48 HydrophobicContact CE1-CG 4.39Å; Y26-K48 HydrophobicContact CE2-CG 4.09Å; Y26-K48 HydrophobicContact CG-CG 4.22Å |
| 27 | P | 90.3 | Very high | 85.4 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | trans | -53.9 | 146.9 | -179.7 | 12.3 | -25 | 0 | 0 | 0 | 112.5 | R16 Q18 K23 L25 Y29 | R16-P27 HydrophobicContact CG-CB 3.79Å; Q18-P27 HydrophobicContact CG-CB 3.66Å; Q18-P27 HydrophobicContact CG-CG 4.33Å; K23-P27 WeakPolarHBondContact O-CA 3.29Å; K23-P27 WeakPolarHBondContact O-CD 3.33Å; L25-P27 VanDerWaalsContact C-CD 3.46Å; P27-Y29 HydrophobicContact CB-CD2 4.43Å; P27-Y29 HydrophobicContact CB-CE2 3.74Å; P27-Y29 HydrophobicContact CG-CE2 3.65Å; P27-Y29 WeakPolarHBondContact CG-OH 3.5Å | ||
| 28 | L | 92.6 | Very high | 85.5 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 130.8 | 168.8 | -178.7 | 50.1 | 0 | 0 | 0 | 109 | R16 D17 Y30 A43 G44 R45 L64 | R16-L28 CarbonylContact C-O 3.58Å; D17-L28 PolarHBondContact N-O 3.08Å; D17-L28 PolarHBondContact O-N 3.42Å; D17-L28 VanDerWaalsContact O-N 3.11Å; L28-Y30 HydrophobicContact CD1-CE1 4.41Å; L28-Y30 HydrophobicContact CD2-CE1 3.71Å; L28-Y30 HydrophobicContact CD2-CE2 4.29Å; L28-Y30 VanDerWaalsContact CD2-CZ 3.43Å; L28-Y30 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y30 HydrophobicContact CG-CD1 4.48Å; L28-Y30 HydrophobicContact CG-CE1 3.78Å; L28-Y30 HydrophobicContact CG-CE2 3.97Å; L28-A43 HydrophobicContact CD1-CB 4.35Å; L28-G44 WeakPolarHBondContact CD1-O 3.41Å; L28-R45 HydrophobicContact CD1-CB 3.98Å; L28-R45 HydrophobicContact CD1-CG 4.5Å; L28-L64 HydrophobicContact CD1-CD1 3.34Å; L28-L64 HydrophobicContact CD1-CD2 4.38Å; L28-L64 HydrophobicContact CD1-CG 4.48Å; L28-L64 HydrophobicContact CD2-CD1 3.99Å; L28-L64 HydrophobicContact CG-CD1 4.35Å |
| 29 | Y | 96.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 2% | 0.024 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.1 | 178.7 | -61.8 | -96.5 | 0 | 0 | 0 | 109.3 | V14 T15 R16 P27 A43 G44 Y55 L236 F239 | V14-Y29 HydrophobicContact CG1-CD1 4.29Å; T15-Y29 CarbonylContact O-C 3.44Å; T15-Y29 WeakPolarHBondContact O-CA 3.48Å; R16-Y29 HydrophobicContact CB-CD1 4.02Å; R16-Y29 HydrophobicContact CB-CE1 3.95Å; R16-Y29 HydrophobicContact CG-CD1 4Å; R16-Y29 HydrophobicContact CG-CE1 3.57Å; P27-Y29 HydrophobicContact CB-CD2 4.43Å; P27-Y29 HydrophobicContact CB-CE2 3.74Å; P27-Y29 HydrophobicContact CG-CE2 3.65Å; P27-Y29 WeakPolarHBondContact CG-OH 3.5Å; Y29-A43 CarbonylContact O-C 3.53Å; Y29-A43 VanDerWaalsContact O-CA 3.27Å; Y29-A43 WeakPolarHBondContact O-CA 3.39Å; Y29-G44 WeakPolarHBondContact CD2-O 3.34Å; Y29-G44 PolarHBondContact N-O 2.69Å; Y29-G44 PolarHBondContact O-N 2.86Å; Y29-Y55 HydrophobicContact CD2-CE1 4.49Å; Y29-Y55 HydrophobicContact CE2-CE1 4.08Å; Y29-L236 HydrophobicContact CD1-CD2 4.08Å; Y29-L236 HydrophobicContact CD2-CD2 3.58Å; Y29-L236 HydrophobicContact CE2-CD2 4.14Å; Y29-L236 HydrophobicContact CG-CD2 3.54Å; Y29-F239 HydrophobicContact CD1-CD2 4.16Å; Y29-F239 AromaticContact CD1-CE2 3.95Å; Y29-F239 HydrophobicContact CD1-CE2 3.95Å; Y29-F239 HydrophobicContact CD1-CZ 4.28Å; Y29-F239 HydrophobicContact CE1-CB 4.33Å; Y29-F239 AromaticContact CE1-CD1 3.83Å; Y29-F239 HydrophobicContact CE1-CD1 3.83Å; Y29-F239 AromaticContact CE1-CD2 3.52Å; Y29-F239 HydrophobicContact CE1-CD2 3.52Å; Y29-F239 AromaticContact CE1-CE1 3.91Å; Y29-F239 HydrophobicContact CE1-CE1 3.91Å; Y29-F239 AromaticContact CE1-CE2 3.61Å; Y29-F239 HydrophobicContact CE1-CE2 3.61Å; Y29-F239 AromaticContact CE1-CG 3.62Å; Y29-F239 HydrophobicContact CE1-CG 3.62Å; Y29-F239 AromaticContact CE1-CZ 3.79Å; Y29-F239 HydrophobicContact CE1-CZ 3.79Å; Y29-F239 AromaticContact CZ-CG 3.85Å; Y29-F239 WeakPolarHBondContact OH-CB 3.29Å |
| 30 | Y | 97.5 | Very high | 87 | Confident | 49 Ų | 49 | 71 Ų | 71 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.4 | 175.7 | -51.6 | -82.9 | 0 | 0 | 0 | 109.9 | V14 T15 D17 L28 H32 F40 L42 A43 A61 | V14-Y30 CarbonylContact C-O 3.58Å; V14-Y30 VanDerWaalsContact CA-O 3.26Å; V14-Y30 WeakPolarHBondContact CA-O 3.26Å; T15-Y30 PolarHBondContact N-O 2.89Å; T15-Y30 PolarHBondContact O-N 2.81Å; D17-Y30 HydrophobicContact CB-CE2 3.75Å; L28-Y30 HydrophobicContact CD1-CE1 4.41Å; L28-Y30 HydrophobicContact CD2-CE1 3.71Å; L28-Y30 HydrophobicContact CD2-CE2 4.29Å; L28-Y30 VanDerWaalsContact CD2-CZ 3.43Å; L28-Y30 WeakPolarHBondContact CD2-OH 3.27Å; L28-Y30 HydrophobicContact CG-CD1 4.48Å; L28-Y30 HydrophobicContact CG-CE1 3.78Å; L28-Y30 HydrophobicContact CG-CE2 3.97Å; Y30-H32 VanDerWaalsContact CB-CE1 3.42Å; Y30-H32 WeakPolarHBondContact CB-CE1 3.33Å; Y30-F40 HydrophobicContact CD1-CE2 4.07Å; Y30-L42 CarbonylContact C-O 3.46Å; Y30-L42 WeakPolarHBondContact CA-O 3.2Å; Y30-A43 HydrophobicContact CD1-CB 4.11Å; Y30-A43 HydrophobicContact CE1-CB 4.47Å; Y30-A61 HydrophobicContact CD1-CB 4.23Å; Y30-A61 HydrophobicContact CE1-CB 3.89Å |
| 31 | L | 98.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.3 | 171.8 | -175.3 | 72.5 | 0 | 0 | 0 | 109 | C12 R13 V14 L41 L42 L220 A228 F232 | C12-L31 HydrophobicContact CB-CD1 3.53Å; C12-L31 HydrophobicContact CB-CG 4.2Å; R13-L31 WeakPolarHBondContact O-CA 3.3Å; V14-L31 HydrophobicContact CG2-CD1 3.58Å; L31-L41 HydrophobicContact CB-CB 4.48Å; L31-L41 HydrophobicContact CD2-CB 4.11Å; L31-L41 HydrophobicContact CD2-CD1 3.94Å; L31-L41 HydrophobicContact CG-CB 4.28Å; L31-L41 HydrophobicContact CG-CD1 4.2Å; L31-L41 PolarHBondContact O-N 3.18Å; L31-L42 HydrophobicContact CB-CB 4.11Å; L31-L42 HydrophobicContact CD2-CB 4.42Å; L31-L42 HydrophobicContact CD2-CD1 3.97Å; L31-L42 HydrophobicContact CD2-CG 4.38Å; L31-L42 PolarHBondContact N-O 3.03Å; L31-L42 PolarHBondContact O-N 3.4Å; L31-L220 HydrophobicContact CD1-CB 4.41Å; L31-L220 HydrophobicContact CD1-CD2 3.74Å; L31-A228 HydrophobicContact CD2-CB 4.35Å; L31-F232 HydrophobicContact CB-CD2 4.03Å; L31-F232 HydrophobicContact CB-CE2 4.07Å; L31-F232 HydrophobicContact CB-CG 4.34Å; L31-F232 HydrophobicContact CB-CZ 4.39Å; L31-F232 HydrophobicContact CD1-CD2 4.29Å; L31-F232 HydrophobicContact CD2-CB 4.13Å; L31-F232 HydrophobicContact CD2-CD2 4.5Å; L31-F232 HydrophobicContact CD2-CG 4.31Å |
| 32 | H | 98.3 | Very high | 90 | Very high | 46 Ų | 46 | 64.6 Ų | 64.6 | 21% | 0.213 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149 | 173.2 | -57.8 | 83.2 | 0 | 0 | 0 | 109.7 | C12 R13 Y30 K38 T39 F40 | C12-H32 CarbonylContact C-O 3.49Å; C12-H32 WeakPolarHBondContact CA-O 3.12Å; C12-H32 WeakPolarHBondContact CB-O 3.19Å; R13-H32 PolarHBondContact N-O 3.11Å; R13-H32 PolarHBondContact O-N 2.97Å; Y30-H32 VanDerWaalsContact CB-CE1 3.42Å; Y30-H32 WeakPolarHBondContact CB-CE1 3.33Å; H32-K38 HydrophobicContact CB-CB 4.46Å; H32-K38 PolarHBondContact CD2-O 3.07Å; H32-T39 CarbonylContact C-O 3.53Å; H32-T39 WeakPolarHBondContact CA-O 3.22Å; H32-F40 VanDerWaalsContact CD2-CA 3.44Å; H32-F40 WeakPolarHBondContact CD2-CA 3.35Å; H32-F40 AromaticContact NE2-CD2 3.69Å |
| 33 | L | 97.7 | Very high | 91.4 | Very high | 46 Ų | 46 | 61.7 Ų | 61.7 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 139.7 | 163.2 | -71.6 | 175.1 | 0 | 0 | 0 | 109.4 | V10 N35 K38 T39 L41 | V10-L33 HydrophobicContact CG1-CD2 3.66Å; L33-N35 PolarHBondContact O-N 2.99Å; L33-K38 WeakPolarHBondContact O-CA 3.3Å; L33-T39 PolarHBondContact N-O 2.82Å; L33-L41 HydrophobicContact CD1-CD2 4.21Å; L33-L41 HydrophobicContact CD2-CD1 3.74Å; L33-L41 HydrophobicContact CD2-CG 4.46Å; L33-L41 HydrophobicContact CG-CD1 3.79Å; L33-L41 HydrophobicContact CG-CD2 3.94Å; L33-L41 HydrophobicContact CG-CG 3.98Å |
| 34 | D | 95.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -86.8 | 60.3 | 176.9 | -158.2 | 28.4 | 0 | 0 | 0 | 109.7 | K11 R13 R186 | K11-D34 HydrophobicContact CB-CB 4.14Å; K11-D34 PolarHBondContact O-N 2.75Å; R13-D34 IonicContact CZ-OD1 3Å; R13-D34 IonicContact NE-OD1 3.12Å; R13-D34 PolarHBondContact NE-OD1 2.84Å; R13-D34 IonicContact NH2-OD1 2.71Å; R13-D34 PolarHBondContact NH2-OD1 3.43Å; R13-D34 IonicContact NH2-OD2 3.5Å; D34-R186 IonicContact OD2-CZ 2.72Å; D34-R186 VanDerWaalsContact OD2-CZ 3.24Å; D34-R186 IonicContact OD2-NH1 3.85Å; D34-R186 PolarHBondContact OD2-NH1 3.3Å; D34-R186 IonicContact OD2-NH2 3.85Å; D34-R186 PolarHBondContact OD2-NH2 3.16Å |
| 35 | N | 94.1 | Very high | 94 | Very high | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -113.6 | 174 | 173 | 65.6 | 11 | 0 | 0 | 0 | 110 | L33 K37 K38 T39 | L33-N35 PolarHBondContact O-N 2.99Å; N35-K37 PolarHBondContact O-N 2.87Å; N35-K37 PolarHBondContact OD1-N 3.34Å; N35-K38 PolarHBondContact O-N 3.46Å; N35-K38 WeakPolarHBondContact OD1-CA 3.18Å; N35-K38 PolarHBondContact OD1-N 3.38Å; N35-T39 PolarHBondContact ND2-OG1 3.03Å; N35-T39 VanDerWaalsContact ND2-OG1 3.07Å; N35-T39 PolarHBondContact OD1-N 3.14Å; N35-T39 VanDerWaalsContact OD1-N 3.14Å |
| 36 | E | 91.6 | Very high | 94.8 | Very high | 199 Ų | 199 | 54.4 Ų | 54.4 | 93% | 0.93 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -37.7 | -179.3 | -63.9 | -178.8 | 170.5 | 0 | 0 | 112.9 | K38 | E36-K38 VanDerWaalsContact C-N 3.33Š|
| 37 | K | 93 | Very high | 94.9 | Very high | 184 Ų | 184 | 56 Ų | 56 | 80% | 0.8 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.5 | -178.5 | -65.3 | -176.6 | 179.4 | 179 | 0 | 114 | N35 T39 | N35-K37 PolarHBondContact O-N 2.87Å; N35-K37 PolarHBondContact OD1-N 3.34Å; K37-T39 VanDerWaalsContact C-N 3.32Å; K37-T39 PolarHBondContact O-N 2.87Å |
| 38 | K | 93.8 | Very high | 94.6 | Very high | 126 Ų | 126 | 59.9 Ų | 59.9 | 55% | 0.548 | 27% | 0.274 | S | S | . | . | trans | 45.1 | 54.9 | -170.7 | -61 | 175.8 | -176 | 168.3 | 0 | 111.9 | H32 L33 N35 E36 F40 | H32-K38 HydrophobicContact CB-CB 4.46Å; H32-K38 PolarHBondContact CD2-O 3.07Å; L33-K38 WeakPolarHBondContact O-CA 3.3Å; N35-K38 PolarHBondContact O-N 3.46Å; N35-K38 WeakPolarHBondContact OD1-CA 3.18Å; N35-K38 PolarHBondContact OD1-N 3.38Å; E36-K38 VanDerWaalsContact C-N 3.33Å; K38-F40 PolarHBondContact O-N 3.34Å | ||
| 39 | T | 96.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | trans | -57.2 | 123.2 | -174.9 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | H32 L33 N35 K37 | H32-T39 CarbonylContact C-O 3.53Å; H32-T39 WeakPolarHBondContact CA-O 3.22Å; L33-T39 PolarHBondContact N-O 2.82Å; N35-T39 PolarHBondContact ND2-OG1 3.03Å; N35-T39 VanDerWaalsContact ND2-OG1 3.07Å; N35-T39 PolarHBondContact OD1-N 3.14Å; N35-T39 VanDerWaalsContact OD1-N 3.14Å; K37-T39 VanDerWaalsContact C-N 3.32Å; K37-T39 PolarHBondContact O-N 2.87Å | ||
| 40 | F | 96.9 | Very high | 93.5 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 139.4 | 176.5 | 175.1 | -105.4 | 0 | 0 | 0 | 111.5 | Y30 H32 K38 L42 A43 I59 A61 | Y30-F40 HydrophobicContact CD1-CE2 4.07Å; H32-F40 VanDerWaalsContact CD2-CA 3.44Å; H32-F40 WeakPolarHBondContact CD2-CA 3.35Å; H32-F40 AromaticContact NE2-CD2 3.69Å; K38-F40 PolarHBondContact O-N 3.34Å; F40-L42 VanDerWaalsContact CE2-O 3.23Å; F40-L42 WeakPolarHBondContact CE2-O 3.38Å; F40-L42 VanDerWaalsContact CZ-C 3.41Å; F40-A43 HydrophobicContact CE2-CB 4.11Å; F40-A43 HydrophobicContact CZ-CB 3.82Å; F40-I59 WeakPolarHBondContact CE1-O 3.15Å; F40-A61 HydrophobicContact CE1-CB 4.33Å; F40-A61 HydrophobicContact CE2-CB 4.08Å; F40-A61 HydrophobicContact CZ-CB 3.82Å |
| 41 | L | 97.1 | Very high | 92.7 | Very high | 45 Ų | 45 | 75.3 Ų | 75.3 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | -55.8 | 178.7 | -65.2 | -177.8 | 0 | 0 | 0 | 112.5 | L31 L33 | L31-L41 HydrophobicContact CB-CB 4.48Å; L31-L41 HydrophobicContact CD2-CB 4.11Å; L31-L41 HydrophobicContact CD2-CD1 3.94Å; L31-L41 HydrophobicContact CG-CB 4.28Å; L31-L41 HydrophobicContact CG-CD1 4.2Å; L31-L41 PolarHBondContact O-N 3.18Å; L33-L41 HydrophobicContact CD1-CD2 4.21Å; L33-L41 HydrophobicContact CD2-CD1 3.74Å; L33-L41 HydrophobicContact CD2-CG 4.46Å; L33-L41 HydrophobicContact CG-CD1 3.79Å; L33-L41 HydrophobicContact CG-CD2 3.94Å; L33-L41 HydrophobicContact CG-CG 3.98Å |
| 42 | L | 97.8 | Very high | 92.2 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147 | -170.9 | -61.6 | 170.4 | 0 | 0 | 0 | 110.9 | Y30 L31 F40 I57 S58 I59 V72 A228 V229 F232 | Y30-L42 CarbonylContact C-O 3.46Å; Y30-L42 WeakPolarHBondContact CA-O 3.2Å; L31-L42 HydrophobicContact CB-CB 4.11Å; L31-L42 HydrophobicContact CD2-CB 4.42Å; L31-L42 HydrophobicContact CD2-CD1 3.97Å; L31-L42 HydrophobicContact CD2-CG 4.38Å; L31-L42 PolarHBondContact N-O 3.03Å; L31-L42 PolarHBondContact O-N 3.4Å; F40-L42 VanDerWaalsContact CE2-O 3.23Å; F40-L42 WeakPolarHBondContact CE2-O 3.38Å; F40-L42 VanDerWaalsContact CZ-C 3.41Å; L42-I57 HydrophobicContact CB-CG2 4.18Å; L42-I57 HydrophobicContact CD1-CG2 4.16Å; L42-I57 HydrophobicContact CD2-CG2 4.02Å; L42-I57 HydrophobicContact CG-CG2 4.35Å; L42-S58 CarbonylContact C-O 3.6Å; L42-S58 VanDerWaalsContact CA-O 3.31Å; L42-S58 WeakPolarHBondContact CA-O 3.32Å; L42-I59 HydrophobicContact CD2-CG2 3.82Å; L42-V72 HydrophobicContact CD2-CG2 3.8Å; L42-A228 HydrophobicContact CD1-CB 4.15Å; L42-V229 HydrophobicContact CD1-CB 4.48Å; L42-V229 HydrophobicContact CD1-CG2 3.83Å; L42-V229 HydrophobicContact CD2-CG2 4.17Å; L42-F232 HydrophobicContact CB-CD1 3.85Å; L42-F232 HydrophobicContact CB-CE1 3.96Å; L42-F232 HydrophobicContact CD1-CB 4.09Å; L42-F232 HydrophobicContact CD1-CD1 3.96Å; L42-F232 HydrophobicContact CD1-CG 4.35Å |
| 43 | A | 97.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | L28 Y29 Y30 F40 I57 S58 A61 L64 | L28-A43 HydrophobicContact CD1-CB 4.35Å; Y29-A43 CarbonylContact O-C 3.53Å; Y29-A43 VanDerWaalsContact O-CA 3.27Å; Y29-A43 WeakPolarHBondContact O-CA 3.39Å; Y30-A43 HydrophobicContact CD1-CB 4.11Å; Y30-A43 HydrophobicContact CE1-CB 4.47Å; F40-A43 HydrophobicContact CE2-CB 4.11Å; F40-A43 HydrophobicContact CZ-CB 3.82Å; A43-I57 CarbonylContact O-C 3.57Å; A43-I57 VanDerWaalsContact O-CA 3.27Å; A43-I57 WeakPolarHBondContact O-CA 3.26Å; A43-S58 PolarHBondContact N-O 2.95Å; A43-S58 PolarHBondContact O-N 2.75Å; A43-A61 HydrophobicContact CB-CB 4.43Å; A43-L64 HydrophobicContact CB-CD2 3.97Å |
| 44 | G | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 129.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L28 Y29 L56 | L28-G44 WeakPolarHBondContact CD1-O 3.41Å; Y29-G44 WeakPolarHBondContact CD2-O 3.34Å; Y29-G44 PolarHBondContact N-O 2.69Å; Y29-G44 PolarHBondContact O-N 2.86Å; G44-L56 CarbonylContact C-O 3.53Å; G44-L56 VanDerWaalsContact CA-O 3.25Å; G44-L56 WeakPolarHBondContact CA-O 3.48Å |
| 45 | R | 92.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 72 Ų | 72 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 136.4 | 177.7 | -163.6 | 178 | -178.2 | -167.8 | -4.4 | 112.5 | D22 Y26 L28 Y55 L56 L64 | D22-R45 IonicContact OD2-CZ 3.55Å; D22-R45 IonicContact OD2-NH2 2.8Å; D22-R45 PolarHBondContact OD2-NH2 2.79Å; Y26-R45 PolarHBondContact O-NE 2.88Å; Y26-R45 VanDerWaalsContact O-NE 3.12Å; L28-R45 HydrophobicContact CD1-CB 3.98Å; L28-R45 HydrophobicContact CD1-CG 4.5Å; R45-Y55 VanDerWaalsContact O-CA 3.29Å; R45-Y55 WeakPolarHBondContact O-CA 3.45Å; R45-L56 PolarHBondContact N-O 3.31Å; R45-L56 PolarHBondContact O-N 3.23Å; R45-L64 HydrophobicContact CB-CD1 4.11Å; R45-L64 HydrophobicContact CB-CD2 4.43Å |
| 46 | K | 91.6 | Very high | 91.5 | Very high | 50 Ų | 50 | 69.2 Ų | 69.2 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 131.2 | 170.6 | -167.3 | 173.4 | -174.8 | 168.5 | 0 | 109.7 | Y26 S53 N54 Y55 D240 | Y26-K46 HydrophobicContact CD1-CB 4.12Å; Y26-K46 HydrophobicContact CD1-CD 4.41Å; Y26-K46 HydrophobicContact CD1-CG 4.17Å; K46-S53 WeakPolarHBondContact CE-OG 3.16Å; K46-S53 PolarHBondContact NZ-OG 3.31Å; K46-N54 CarbonylContact C-O 3.55Å; K46-N54 WeakPolarHBondContact CA-O 3.38Å; K46-Y55 HydrophobicContact CB-CD1 3.94Å; K46-Y55 HydrophobicContact CB-CD2 4.4Å; K46-Y55 HydrophobicContact CB-CE1 3.67Å; K46-Y55 HydrophobicContact CB-CE2 4.14Å; K46-Y55 HydrophobicContact CB-CG 4.29Å; K46-Y55 HydrophobicContact CD-CE2 4.1Å; K46-Y55 HydrophobicContact CG-CD2 4.37Å; K46-Y55 HydrophobicContact CG-CE1 4.43Å; K46-Y55 HydrophobicContact CG-CE2 4.01Å; K46-D240 IonicContact NZ-OD1 3Å; K46-D240 PolarHBondContact NZ-OD1 3.24Å |
| 47 | R | 88.8 | Confident | 91.8 | Very high | 96 Ų | 96 | 59.7 Ų | 59.7 | 36% | 0.362 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -75 | 141.8 | 178.5 | -64.9 | -176.4 | 72.3 | -143.2 | -2.1 | 110.9 | N54 L56 | R47-N54 PolarHBondContact N-O 2.82Å; R47-L56 HydrophobicContact CG-CD1 3.91Å; R47-L56 HydrophobicContact CG-CG 3.78Å |
| 48 | K | 84.3 | Confident | 91.9 | Very high | 95 Ų | 95 | 51 Ų | 51 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -71.2 | 159.8 | 166.1 | -52.3 | -173.8 | -167 | -174.9 | 0 | 110.2 | D22 Y26 S50 | D22-K48 VanDerWaalsContact CG-CE 3.45Å; D22-K48 WeakPolarHBondContact OD1-CE 3.4Å; D22-K48 IonicContact OD1-NZ 2.75Å; D22-K48 PolarHBondContact OD1-NZ 3.23Å; D22-K48 WeakPolarHBondContact OD2-CE 3.48Å; D22-K48 IonicContact OD2-NZ 2.66Å; D22-K48 PolarHBondContact OD2-NZ 3.28Å; Y26-K48 HydrophobicContact CD1-CG 4.38Å; Y26-K48 HydrophobicContact CD2-CG 4.06Å; Y26-K48 HydrophobicContact CE1-CG 4.39Å; Y26-K48 HydrophobicContact CE2-CG 4.09Å; Y26-K48 HydrophobicContact CG-CG 4.22Å; K48-S50 PolarHBondContact O-N 3.3Å |
| 49 | K | 81.8 | Confident | 92 | Very high | 215 Ų | 215 | 49.3 Ų | 49.3 | 94% | 0.935 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 55 | 35.2 | 171.4 | -54.4 | -177.5 | 178.5 | -176.7 | 0 | 113.9 | ||
| 50 | S | 82.1 | Confident | 91.7 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | trans | -109.1 | 134.4 | 171.1 | -61.8 | 0 | 0 | 0 | 0 | 108.6 | K48 T52 | K48-S50 PolarHBondContact O-N 3.3Å; S50-T52 WeakPolarHBondContact CB-O 3.46Å; S50-T52 PolarHBondContact O-N 2.87Å | ||
| 51 | T | 82.1 | Confident | 91.2 | Very high | 137 Ų | 137 | 47 Ų | 47 | 84% | 0.84 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -67.1 | -29.2 | 178.3 | 49 | 0 | 0 | 0 | 0 | 112.3 | ||
| 52 | T | 87.6 | Confident | 90.5 | Very high | 25 Ų | 25 | 51 Ų | 51 | 15% | 0.153 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -115.9 | 163.7 | 172.1 | 69.9 | 0 | 0 | 0 | 0 | 109.9 | S50 N54 S77 | S50-T52 WeakPolarHBondContact CB-O 3.46Å; S50-T52 PolarHBondContact O-N 2.87Å; T52-N54 PolarHBondContact O-N 3.41Å; T52-S77 WeakPolarHBondContact CB-O 3.41Å; T52-S77 PolarHBondContact OG1-O 3.4Å |
| 53 | S | 89.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | trans | -64.7 | 129.6 | 172.9 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | K46 R76 S77 D240 | K46-S53 WeakPolarHBondContact CE-OG 3.16Å; K46-S53 PolarHBondContact NZ-OG 3.31Å; S53-R76 WeakPolarHBondContact O-CA 3.12Å; S53-S77 WeakPolarHBondContact CB-OG 3.31Å; S53-S77 PolarHBondContact N-OG 2.92Å; S53-S77 PolarHBondContact O-N 2.98Å; S53-S77 PolarHBondContact O-OG 2.82Å; S53-D240 WeakPolarHBondContact CB-OD2 3.46Å; S53-D240 PolarHBondContact OG-OD1 3.3Å; S53-D240 VanDerWaalsContact OG-OD1 3.07Å; S53-D240 PolarHBondContact OG-OD2 3.02Å | ||
| 54 | N | 92.9 | Very high | 88.8 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 110.3 | -174.3 | -171.3 | -36.9 | 0 | 0 | 0 | 108.3 | K46 R47 T52 L75 | K46-N54 CarbonylContact C-O 3.55Å; K46-N54 WeakPolarHBondContact CA-O 3.38Å; R47-N54 PolarHBondContact N-O 2.82Å; T52-N54 PolarHBondContact O-N 3.41Å; N54-L75 CarbonylContact C-O 3.48Å; N54-L75 VanDerWaalsContact CA-O 3.28Å; N54-L75 WeakPolarHBondContact CA-O 3.18Å |
| 55 | Y | 94.6 | Very high | 87.7 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.6 | 176.6 | -63.9 | -113.8 | 0 | 0 | 0 | 109.8 | Y29 R45 K46 K74 L75 L236 | Y29-Y55 HydrophobicContact CD2-CE1 4.49Å; Y29-Y55 HydrophobicContact CE2-CE1 4.08Å; R45-Y55 VanDerWaalsContact O-CA 3.29Å; R45-Y55 WeakPolarHBondContact O-CA 3.45Å; K46-Y55 HydrophobicContact CB-CD1 3.94Å; K46-Y55 HydrophobicContact CB-CD2 4.4Å; K46-Y55 HydrophobicContact CB-CE1 3.67Å; K46-Y55 HydrophobicContact CB-CE2 4.14Å; K46-Y55 HydrophobicContact CB-CG 4.29Å; K46-Y55 HydrophobicContact CD-CE2 4.1Å; K46-Y55 HydrophobicContact CG-CD2 4.37Å; K46-Y55 HydrophobicContact CG-CE1 4.43Å; K46-Y55 HydrophobicContact CG-CE2 4.01Å; Y55-K74 VanDerWaalsContact O-CA 3.31Å; Y55-K74 WeakPolarHBondContact O-CA 3.33Å; Y55-L75 HydrophobicContact CD2-CD2 3.88Å; Y55-L75 HydrophobicContact CE2-CD2 4.42Å; Y55-L75 HydrophobicContact CG-CD2 4.36Å; Y55-L75 PolarHBondContact N-O 2.93Å; Y55-L75 PolarHBondContact O-N 3.21Å; Y55-L236 HydrophobicContact CD1-CB 4.42Å; Y55-L236 HydrophobicContact CD1-CD1 4.22Å; Y55-L236 HydrophobicContact CD1-CD2 4.1Å; Y55-L236 HydrophobicContact CD1-CG 4.49Å; Y55-L236 HydrophobicContact CE1-CD2 4.2Å; Y55-L236 HydrophobicContact CG-CD1 4.5Å |
| 56 | L | 94.9 | Very high | 86.4 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 138.9 | 165.8 | -61.1 | 176.4 | 0 | 0 | 0 | 108.7 | G44 R45 R47 L64 R66 F71 | G44-L56 CarbonylContact C-O 3.53Å; G44-L56 VanDerWaalsContact CA-O 3.25Å; G44-L56 WeakPolarHBondContact CA-O 3.48Å; R45-L56 PolarHBondContact N-O 3.31Å; R45-L56 PolarHBondContact O-N 3.23Å; R47-L56 HydrophobicContact CG-CD1 3.91Å; R47-L56 HydrophobicContact CG-CG 3.78Å; L56-L64 WeakPolarHBondContact CD1-O 3.14Å; L56-R66 HydrophobicContact CD1-CB 4.39Å; L56-F71 HydrophobicContact CB-CD2 4.4Å; L56-F71 HydrophobicContact CB-CE2 4.44Å; L56-F71 HydrophobicContact CD2-CD2 4.02Å; L56-F71 HydrophobicContact CD2-CE2 3.52Å; L56-F71 HydrophobicContact CD2-CZ 4.32Å |
| 57 | I | 96.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.6 | 176.7 | -55 | 173.5 | 0 | 0 | 0 | 107.6 | L42 A43 V72 G73 V229 F232 A233 L236 | L42-I57 HydrophobicContact CB-CG2 4.18Å; L42-I57 HydrophobicContact CD1-CG2 4.16Å; L42-I57 HydrophobicContact CD2-CG2 4.02Å; L42-I57 HydrophobicContact CG-CG2 4.35Å; A43-I57 CarbonylContact O-C 3.57Å; A43-I57 VanDerWaalsContact O-CA 3.27Å; A43-I57 WeakPolarHBondContact O-CA 3.26Å; I57-V72 HydrophobicContact CG2-CG2 4.13Å; I57-V72 PolarHBondContact O-N 3.47Å; I57-G73 WeakPolarHBondContact CA-O 3.44Å; I57-G73 WeakPolarHBondContact CB-O 3.18Å; I57-G73 PolarHBondContact N-O 3.39Å; I57-G73 PolarHBondContact O-N 3.06Å; I57-V229 HydrophobicContact CD1-CG1 4.39Å; I57-F232 HydrophobicContact CD1-CD1 4.43Å; I57-F232 HydrophobicContact CG1-CD1 4.49Å; I57-F232 HydrophobicContact CG2-CD1 3.92Å; I57-F232 HydrophobicContact CG2-CE1 4.22Å; I57-A233 HydrophobicContact CD1-CB 3.8Å; I57-L236 HydrophobicContact CD1-CD1 4.15Å; I57-L236 HydrophobicContact CG1-CD1 4.06Å |
| 58 | S | 95.8 | Very high | 84.2 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.6 | -174.6 | -176.3 | 0 | 0 | 0 | 0 | 111 | L42 A43 D60 D63 N70 | L42-S58 CarbonylContact C-O 3.6Å; L42-S58 VanDerWaalsContact CA-O 3.31Å; L42-S58 WeakPolarHBondContact CA-O 3.32Å; A43-S58 PolarHBondContact N-O 2.95Å; A43-S58 PolarHBondContact O-N 2.75Å; S58-D60 VanDerWaalsContact C-N 3.25Å; S58-D60 WeakPolarHBondContact CB-O 3.49Å; S58-D60 PolarHBondContact OG-N 2.82Å; S58-D60 PolarHBondContact OG-O 2.88Å; S58-D60 VanDerWaalsContact OG-O 3.12Å; S58-D63 VanDerWaalsContact CB-O 3.28Å; S58-D63 WeakPolarHBondContact CB-O 3.19Å; S58-D63 PolarHBondContact OG-O 2.83Å; S58-N70 CarbonylContact C-O 3.52Å; S58-N70 VanDerWaalsContact CA-O 3.24Å; S58-N70 WeakPolarHBondContact CA-O 3.26Å; S58-N70 WeakPolarHBondContact OG-CB 3.3Å; S58-N70 PolarHBondContact OG-O 3.02Å; S58-N70 VanDerWaalsContact OG-O 3.05Å |
| 59 | I | 95.1 | Very high | 83.9 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 46% | 0.456 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -88 | 6.5 | 167.5 | 57.4 | 168.1 | 0 | 0 | 0 | 112.5 | F40 L42 N70 V72 | F40-I59 WeakPolarHBondContact CE1-O 3.15Å; L42-I59 HydrophobicContact CD2-CG2 3.82Å; I59-N70 HydrophobicContact CG1-CB 3.99Å; I59-N70 WeakPolarHBondContact CG1-O 3.26Å; I59-N70 PolarHBondContact N-O 3.09Å; I59-V72 HydrophobicContact CD1-CG1 4.48Å; I59-V72 HydrophobicContact CG1-CG1 4.19Å; I59-V72 HydrophobicContact CG2-CG1 3.73Å; I59-V72 HydrophobicContact CG2-CG2 4.05Å |
| 60 | D | 91.6 | Very high | 84.2 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | trans | -124.5 | 124.4 | 173 | -175 | -14.4 | 0 | 0 | 0 | 109.2 | S58 T62 D63 N70 | S58-D60 VanDerWaalsContact C-N 3.25Å; S58-D60 WeakPolarHBondContact CB-O 3.49Å; S58-D60 PolarHBondContact OG-N 2.82Å; S58-D60 PolarHBondContact OG-O 2.88Å; S58-D60 VanDerWaalsContact OG-O 3.12Å; D60-T62 VanDerWaalsContact C-N 3.25Å; D60-T62 PolarHBondContact O-N 2.75Å; D60-T62 WeakPolarHBondContact OD1-CA 2.98Å; D60-T62 WeakPolarHBondContact OD1-CB 3.37Å; D60-T62 PolarHBondContact OD1-N 2.83Å; D60-T62 PolarHBondContact OD1-OG1 3.47Å; D60-T62 PolarHBondContact OD2-OG1 3.33Å; D60-D63 HydrophobicContact CB-CB 4.31Å; D60-D63 PolarHBondContact OD1-N 3.1Å; D60-N70 HydrophobicContact CB-CB 3.53Å; D60-N70 VanDerWaalsContact CB-ND2 3.33Å; D60-N70 WeakPolarHBondContact CB-ND2 3.14Å; D60-N70 PolarHBondContact OD2-ND2 2.87Å | ||
| 61 | A | 85.4 | Confident | 84.6 | Confident | 33 Ų | 33 | 53 Ų | 53 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -70.3 | -22.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y30 F40 A43 | Y30-A61 HydrophobicContact CD1-CB 4.23Å; Y30-A61 HydrophobicContact CE1-CB 3.89Å; F40-A61 HydrophobicContact CE1-CB 4.33Å; F40-A61 HydrophobicContact CE2-CB 4.08Å; F40-A61 HydrophobicContact CZ-CB 3.82Å; A43-A61 HydrophobicContact CB-CB 4.43Å |
| 62 | T | 84 | Confident | 85.2 | Confident | 129 Ų | 129 | 47.6 Ų | 47.6 | 79% | 0.791 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -92.8 | -27.8 | -177 | 69.9 | 0 | 0 | 0 | 0 | 112.4 | D60 | D60-T62 VanDerWaalsContact C-N 3.25Å; D60-T62 PolarHBondContact O-N 2.75Å; D60-T62 WeakPolarHBondContact OD1-CA 2.98Å; D60-T62 WeakPolarHBondContact OD1-CB 3.37Å; D60-T62 PolarHBondContact OD1-N 2.83Å; D60-T62 PolarHBondContact OD1-OG1 3.47Å; D60-T62 PolarHBondContact OD2-OG1 3.33Å |
| 63 | D | 80.4 | Confident | 85.6 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 23% | 0.225 | 27% | 0.268 | C | S | . | . | trans | -112.6 | 105 | 176.6 | -175.2 | 14.4 | 0 | 0 | 0 | 112.5 | S58 D60 S65 G68 | S58-D63 VanDerWaalsContact CB-O 3.28Å; S58-D63 WeakPolarHBondContact CB-O 3.19Å; S58-D63 PolarHBondContact OG-O 2.83Å; D60-D63 HydrophobicContact CB-CB 4.31Å; D60-D63 PolarHBondContact OD1-N 3.1Å; D63-S65 WeakPolarHBondContact OD1-CB 3.41Å; D63-S65 PolarHBondContact OD1-N 3.33Å; D63-S65 PolarHBondContact OD1-OG 2.89Å; D63-G68 VanDerWaalsContact OD2-CA 3.28Å; D63-G68 WeakPolarHBondContact OD2-CA 3.41Å | ||
| 64 | L | 78.2 | Confident | 85.9 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 18% | 0.183 | 27% | 0.269 | C | S | . | . | trans | -114.1 | 29.6 | 174.2 | -68.6 | 152.1 | 0 | 0 | 0 | 111.4 | L28 A43 R45 L56 | L28-L64 HydrophobicContact CD1-CD1 3.34Å; L28-L64 HydrophobicContact CD1-CD2 4.38Å; L28-L64 HydrophobicContact CD1-CG 4.48Å; L28-L64 HydrophobicContact CD2-CD1 3.99Å; L28-L64 HydrophobicContact CG-CD1 4.35Å; A43-L64 HydrophobicContact CB-CD2 3.97Å; R45-L64 HydrophobicContact CB-CD1 4.11Å; R45-L64 HydrophobicContact CB-CD2 4.43Å; L56-L64 WeakPolarHBondContact CD1-O 3.14Å | ||
| 65 | S | 73.3 | Confident | 86.1 | Confident | 54 Ų | 54 | 46 Ų | 46 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | trans | -83.3 | 156.4 | 175.6 | 75.6 | 0 | 0 | 0 | 0 | 111.3 | D63 G68 | D63-S65 WeakPolarHBondContact OD1-CB 3.41Å; D63-S65 PolarHBondContact OD1-N 3.33Å; D63-S65 PolarHBondContact OD1-OG 2.89Å; S65-G68 WeakPolarHBondContact OG-CA 3.5Å; S65-G68 PolarHBondContact OG-N 3.19Å | ||
| 66 | R | 63.6 | Low | 86.1 | Confident | 125 Ų | 125 | 51.3 Ų | 51.3 | 47% | 0.472 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -77.4 | -25.3 | 176.9 | -176.2 | 179.3 | 175 | -169.8 | -1 | 112.4 | L56 | L56-R66 HydrophobicContact CD1-CB 4.39Š|
| 67 | G | 65.8 | Low | 86.1 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 83% | 0.825 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -92.8 | -7.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 68 | G | 69.9 | Low | 85.9 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -67.8 | 145.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D63 S65 N70 F71 | D63-G68 VanDerWaalsContact OD2-CA 3.28Å; D63-G68 WeakPolarHBondContact OD2-CA 3.41Å; S65-G68 WeakPolarHBondContact OG-CA 3.5Å; S65-G68 PolarHBondContact OG-N 3.19Å; G68-N70 PolarHBondContact O-N 3.22Å; G68-F71 PolarHBondContact O-N 2.8Å |
| 69 | E | 78.1 | Confident | 85.5 | Confident | 188 Ų | 188 | 60 Ų | 60 | 88% | 0.879 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -19.7 | 178.1 | -60.2 | -174.2 | 160.2 | 0 | 0 | 112.1 | ||
| 70 | N | 88 | Confident | 85 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -4.4 | -175.6 | -63.2 | -36.7 | 0 | 0 | 0 | 113.9 | S58 I59 D60 G68 V72 | S58-N70 CarbonylContact C-O 3.52Å; S58-N70 VanDerWaalsContact CA-O 3.24Å; S58-N70 WeakPolarHBondContact CA-O 3.26Å; S58-N70 WeakPolarHBondContact OG-CB 3.3Å; S58-N70 PolarHBondContact OG-O 3.02Å; S58-N70 VanDerWaalsContact OG-O 3.05Å; I59-N70 HydrophobicContact CG1-CB 3.99Å; I59-N70 WeakPolarHBondContact CG1-O 3.26Å; I59-N70 PolarHBondContact N-O 3.09Å; D60-N70 HydrophobicContact CB-CB 3.53Å; D60-N70 VanDerWaalsContact CB-ND2 3.33Å; D60-N70 WeakPolarHBondContact CB-ND2 3.14Å; D60-N70 PolarHBondContact OD2-ND2 2.87Å; G68-N70 PolarHBondContact O-N 3.22Å; N70-V72 PolarHBondContact O-N 2.93Å |
| 71 | F | 90.1 | Very high | 84.8 | Confident | 19 Ų | 19 | 58.6 Ų | 58.6 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 122.8 | 175.2 | 167.3 | -107.6 | 0 | 0 | 0 | 110.9 | L56 G68 G73 K74 N89 | L56-F71 HydrophobicContact CB-CD2 4.4Å; L56-F71 HydrophobicContact CB-CE2 4.44Å; L56-F71 HydrophobicContact CD2-CD2 4.02Å; L56-F71 HydrophobicContact CD2-CE2 3.52Å; L56-F71 HydrophobicContact CD2-CZ 4.32Å; G68-F71 PolarHBondContact O-N 2.8Å; F71-G73 VanDerWaalsContact CE2-C 3.46Å; F71-G73 WeakPolarHBondContact CE2-O 3.27Å; F71-K74 HydrophobicContact CE2-CB 4Å; F71-K74 HydrophobicContact CZ-CB 3.82Å; F71-N89 HydrophobicContact CD1-CB 3.57Å; F71-N89 VanDerWaalsContact CE1-CA 3.5Å; F71-N89 HydrophobicContact CE1-CB 3.68Å; F71-N89 HydrophobicContact CG-CB 4.46Å; F71-N89 WeakPolarHBondContact O-CB 3.38Å; F71-N89 PolarHBondContact O-ND2 2.84Å |
| 72 | V | 94.6 | Very high | 85.1 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -16.5 | -175.8 | -66.3 | 0 | 0 | 0 | 0 | 114.2 | L42 I57 I59 N70 N89 V229 | L42-V72 HydrophobicContact CD2-CG2 3.8Å; I57-V72 HydrophobicContact CG2-CG2 4.13Å; I57-V72 PolarHBondContact O-N 3.47Å; I59-V72 HydrophobicContact CD1-CG1 4.48Å; I59-V72 HydrophobicContact CG1-CG1 4.19Å; I59-V72 HydrophobicContact CG2-CG1 3.73Å; I59-V72 HydrophobicContact CG2-CG2 4.05Å; N70-V72 PolarHBondContact O-N 2.93Å; V72-N89 PolarHBondContact O-N 2.81Å; V72-V229 HydrophobicContact CG2-CG2 4.34Å |
| 73 | G | 94.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 163.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | I57 F71 F87 | I57-G73 WeakPolarHBondContact CA-O 3.44Å; I57-G73 WeakPolarHBondContact CB-O 3.18Å; I57-G73 PolarHBondContact N-O 3.39Å; I57-G73 PolarHBondContact O-N 3.06Å; F71-G73 VanDerWaalsContact CE2-C 3.46Å; F71-G73 WeakPolarHBondContact CE2-O 3.27Å; G73-F87 CarbonylContact C-O 3.54Å; G73-F87 WeakPolarHBondContact CA-O 3.46Å |
| 74 | K | 95.6 | Very high | 86.4 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 10% | 0.1 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.2 | -176 | 176.2 | -175.8 | 73.3 | -159.6 | 0 | 111.5 | Y55 F71 V86 F87 | Y55-K74 VanDerWaalsContact O-CA 3.31Å; Y55-K74 WeakPolarHBondContact O-CA 3.33Å; F71-K74 HydrophobicContact CE2-CB 4Å; F71-K74 HydrophobicContact CZ-CB 3.82Å; K74-V86 CarbonylContact O-C 3.5Å; K74-V86 WeakPolarHBondContact O-CA 3.36Å; K74-F87 PolarHBondContact N-O 3.18Å; K74-F87 PolarHBondContact O-N 3.09Å |
| 75 | L | 96.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.4 | 169.9 | 175.9 | 74.8 | 0 | 0 | 0 | 108.9 | N54 Y55 F84 V86 I110 A233 L236 | N54-L75 CarbonylContact C-O 3.48Å; N54-L75 VanDerWaalsContact CA-O 3.28Å; N54-L75 WeakPolarHBondContact CA-O 3.18Å; Y55-L75 HydrophobicContact CD2-CD2 3.88Å; Y55-L75 HydrophobicContact CE2-CD2 4.42Å; Y55-L75 HydrophobicContact CG-CD2 4.36Å; Y55-L75 PolarHBondContact N-O 2.93Å; Y55-L75 PolarHBondContact O-N 3.21Å; L75-F84 HydrophobicContact CD1-CB 3.67Å; L75-F84 HydrophobicContact CD1-CD1 4.05Å; L75-F84 HydrophobicContact CD1-CG 4.23Å; L75-F84 HydrophobicContact CD2-CD1 4.22Å; L75-F84 HydrophobicContact CG-CD1 4.06Å; L75-V86 HydrophobicContact CD1-CG2 3.7Å; L75-I110 HydrophobicContact CD1-CD1 4.24Å; L75-A233 HydrophobicContact CD1-CB 4.44Å; L75-L236 HydrophobicContact CD2-CB 3.82Å |
| 76 | R | 95.5 | Very high | 88.6 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 129.6 | 176.9 | -174.9 | -177.9 | -176.7 | -177.9 | 2.3 | 110.1 | S53 F84 T85 F87 | S53-R76 WeakPolarHBondContact O-CA 3.12Å; R76-F84 CarbonylContact O-C 3.52Å; R76-F84 VanDerWaalsContact O-CA 3.25Å; R76-F84 WeakPolarHBondContact O-CA 3.31Å; R76-T85 PolarHBondContact N-O 3.49Å; R76-T85 PolarHBondContact O-N 3.31Å; R76-F87 HydrophobicContact CB-CE2 4.15Å |
| 77 | S | 94.8 | Very high | 90.1 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 160.7 | 172.2 | 80.7 | 0 | 0 | 0 | 0 | 112.4 | T52 S53 K83 F84 | T52-S77 WeakPolarHBondContact CB-O 3.41Å; T52-S77 PolarHBondContact OG1-O 3.4Å; S53-S77 WeakPolarHBondContact CB-OG 3.31Å; S53-S77 PolarHBondContact N-OG 2.92Å; S53-S77 PolarHBondContact O-N 2.98Å; S53-S77 PolarHBondContact O-OG 2.82Å; S77-K83 CarbonylContact C-O 3.46Å; S77-K83 VanDerWaalsContact CA-O 3.31Å; S77-K83 WeakPolarHBondContact CA-O 3.39Å; S77-F84 VanDerWaalsContact CB-CD1 3.49Å |
| 78 | N | 92.3 | Very high | 91.6 | Very high | 50 Ų | 50 | 40.7 Ų | 40.7 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | trans | -72 | 173.8 | 155.2 | 71.7 | -21.2 | 0 | 0 | 0 | 110.8 | M80 G81 T82 K83 | N78-M80 VanDerWaalsContact C-N 3.27Å; N78-M80 PolarHBondContact O-N 3.47Å; N78-G81 PolarHBondContact O-N 3.28Å; N78-G81 PolarHBondContact OD1-N 2.81Å; N78-T82 PolarHBondContact ND2-OG1 3.09Å; N78-T82 PolarHBondContact OD1-N 2.87Å; N78-K83 HydrophobicContact CB-CB 4.3Å; N78-K83 PolarHBondContact N-O 3.18Å; N78-K83 PolarHBondContact OD1-N 2.8Å; N78-K83 PolarHBondContact OD1-O 2.79Å | ||
| 79 | L | 87.3 | Confident | 92.6 | Very high | 137 Ų | 137 | 44.1 Ų | 44.1 | 72% | 0.717 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -35.4 | -178 | -172.1 | 63.6 | 0 | 0 | 0 | 113.2 | ||
| 80 | M | 85.5 | Confident | 93.3 | Very high | 97 Ų | 97 | 36.8 Ų | 36.8 | 48% | 0.478 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11 | -178.5 | -62.5 | -178.9 | 74.2 | 0 | 0 | 114.2 | N78 T82 A244 | N78-M80 VanDerWaalsContact C-N 3.27Å; N78-M80 PolarHBondContact O-N 3.47Å; M80-T82 HydrophobicContact CB-CG2 3.96Å; M80-T82 PolarHBondContact O-N 3.21Å; M80-A244 HydrophobicContact CE-CB 3.75Å |
| 81 | G | 87.8 | Confident | 93.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 70.2 | 19.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | N78 F84 K242 | N78-G81 PolarHBondContact O-N 3.28Å; N78-G81 PolarHBondContact OD1-N 2.81Å; G81-F84 WeakPolarHBondContact O-CE2 3.12Å; G81-F84 WeakPolarHBondContact O-CZ 3.47Å; G81-K242 WeakPolarHBondContact O-CG 3.38Å |
| 82 | T | 90.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -101.3 | -20.2 | -177.1 | 56 | 0 | 0 | 0 | 0 | 112.7 | N78 M80 Y112 T114 | N78-T82 PolarHBondContact ND2-OG1 3.09Å; N78-T82 PolarHBondContact OD1-N 2.87Å; M80-T82 HydrophobicContact CB-CG2 3.96Å; M80-T82 PolarHBondContact O-N 3.21Å; T82-Y112 PolarHBondContact O-N 2.99Å; T82-T114 HydrophobicContact CG2-CG2 3.37Å |
| 83 | K | 95.2 | Very high | 93.2 | Very high | 70 Ų | 70 | 39 Ų | 39 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.2 | 177 | -61.8 | -178.2 | -177.4 | 177.2 | 0 | 109.4 | S77 N78 I110 I111 L151 | S77-K83 CarbonylContact C-O 3.46Å; S77-K83 VanDerWaalsContact CA-O 3.31Å; S77-K83 WeakPolarHBondContact CA-O 3.39Å; N78-K83 HydrophobicContact CB-CB 4.3Å; N78-K83 PolarHBondContact N-O 3.18Å; N78-K83 PolarHBondContact OD1-N 2.8Å; N78-K83 PolarHBondContact OD1-O 2.79Å; K83-I110 CarbonylContact C-O 3.57Å; K83-I110 VanDerWaalsContact CA-O 3.27Å; K83-I110 WeakPolarHBondContact CA-O 3.33Å; K83-I111 HydrophobicContact CG-CG1 4.43Å; K83-I111 HydrophobicContact CG-CG2 4.41Å; K83-L151 HydrophobicContact CB-CD1 4.05Å |
| 84 | F | 97.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147 | 177.7 | -57.3 | -105.9 | 0 | 0 | 0 | 111.1 | L75 R76 S77 G81 G109 I110 Y112 D240 | L75-F84 HydrophobicContact CD1-CB 3.67Å; L75-F84 HydrophobicContact CD1-CD1 4.05Å; L75-F84 HydrophobicContact CD1-CG 4.23Å; L75-F84 HydrophobicContact CD2-CD1 4.22Å; L75-F84 HydrophobicContact CG-CD1 4.06Å; R76-F84 CarbonylContact O-C 3.52Å; R76-F84 VanDerWaalsContact O-CA 3.25Å; R76-F84 WeakPolarHBondContact O-CA 3.31Å; S77-F84 VanDerWaalsContact CB-CD1 3.49Å; G81-F84 WeakPolarHBondContact O-CE2 3.12Å; G81-F84 WeakPolarHBondContact O-CZ 3.47Å; F84-G109 CarbonylContact O-C 3.45Å; F84-G109 WeakPolarHBondContact O-CA 3.48Å; F84-I110 HydrophobicContact CB-CB 4.22Å; F84-I110 HydrophobicContact CB-CD1 4.13Å; F84-I110 PolarHBondContact N-O 2.93Å; F84-I110 PolarHBondContact O-N 3.13Å; F84-Y112 HydrophobicContact CD2-CD2 4.05Å; F84-Y112 AromaticContact CD2-CE2 3.85Å; F84-Y112 HydrophobicContact CD2-CE2 3.85Å; F84-Y112 AromaticContact CE2-CD2 3.74Å; F84-Y112 HydrophobicContact CE2-CD2 3.74Å; F84-Y112 AromaticContact CE2-CE2 3.61Å; F84-Y112 HydrophobicContact CE2-CE2 3.61Å; F84-D240 HydrophobicContact CE1-CB 4.18Å; F84-D240 WeakPolarHBondContact CE1-OD2 3.37Å; F84-D240 HydrophobicContact CZ-CB 4.08Å |
| 85 | T | 97.9 | Very high | 92.6 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.9 | 172.4 | -51.7 | 0 | 0 | 0 | 0 | 109.5 | R76 F87 E106 A108 | R76-T85 PolarHBondContact N-O 3.49Å; R76-T85 PolarHBondContact O-N 3.31Å; T85-F87 HydrophobicContact CG2-CD1 4.38Å; T85-F87 HydrophobicContact CG2-CD2 4.37Å; T85-F87 HydrophobicContact CG2-CE1 3.73Å; T85-F87 HydrophobicContact CG2-CE2 3.72Å; T85-F87 HydrophobicContact CG2-CZ 3.36Å; T85-E106 HydrophobicContact CG2-CB 4.3Å; T85-E106 VanDerWaalsContact CG2-CD 3.43Å; T85-E106 HydrophobicContact CG2-CG 3.76Å; T85-A108 WeakPolarHBondContact CA-O 3.48Å |
| 86 | V | 98.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.1 | 176.3 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | K74 L75 E106 L107 A108 I110 A233 | K74-V86 CarbonylContact O-C 3.5Å; K74-V86 WeakPolarHBondContact O-CA 3.36Å; L75-V86 HydrophobicContact CD1-CG2 3.7Å; V86-E106 CarbonylContact O-C 3.52Å; V86-E106 WeakPolarHBondContact O-CA 3.17Å; V86-L107 HydrophobicContact CB-CB 4.26Å; V86-L107 HydrophobicContact CG1-CB 4.16Å; V86-L107 HydrophobicContact CG1-CD1 4.23Å; V86-L107 PolarHBondContact O-N 2.99Å; V86-A108 HydrophobicContact CB-CB 4.12Å; V86-A108 HydrophobicContact CG2-CB 3.83Å; V86-A108 PolarHBondContact N-O 3.23Å; V86-I110 HydrophobicContact CG2-CD1 3.78Å; V86-A233 HydrophobicContact CB-CB 4.24Å; V86-A233 HydrophobicContact CG1-CB 3.6Å; V86-A233 HydrophobicContact CG2-CB 3.51Å |
| 87 | F | 96.9 | Very high | 92 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 4% | 0.044 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 154.2 | 177 | -56.3 | -84 | 0 | 0 | 0 | 110.6 | G73 K74 R76 T85 R104 Q105 E106 | G73-F87 CarbonylContact C-O 3.54Å; G73-F87 WeakPolarHBondContact CA-O 3.46Å; K74-F87 PolarHBondContact N-O 3.18Å; K74-F87 PolarHBondContact O-N 3.09Å; R76-F87 HydrophobicContact CB-CE2 4.15Å; T85-F87 HydrophobicContact CG2-CD1 4.38Å; T85-F87 HydrophobicContact CG2-CD2 4.37Å; T85-F87 HydrophobicContact CG2-CE1 3.73Å; T85-F87 HydrophobicContact CG2-CE2 3.72Å; T85-F87 HydrophobicContact CG2-CZ 3.36Å; F87-R104 HydrophobicContact CD1-CG 3.97Å; F87-R104 VanDerWaalsContact CD1-NH1 3.26Å; F87-R104 VanDerWaalsContact CE2-NH1 3.32Å; F87-R104 VanDerWaalsContact CG-NH1 3.34Å; F87-Q105 VanDerWaalsContact CA-O 3.25Å; F87-Q105 WeakPolarHBondContact CA-O 3.25Å; F87-E106 HydrophobicContact CD1-CG 3.87Å; F87-E106 HydrophobicContact CE1-CG 3.57Å; F87-E106 HydrophobicContact CZ-CG 4.49Å |
| 88 | D | 95.4 | Very high | 91.6 | Very high | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | trans | -73.8 | -168.8 | 163.4 | 66.6 | 4.6 | 0 | 0 | 0 | 111.4 | M1 A90 R104 Q105 L107 | M1-D88 HydrophobicContact CE-CB 4.12Å; D88-A90 PolarHBondContact OD1-N 2.88Å; D88-R104 WeakPolarHBondContact OD1-CA 3.44Å; D88-R104 WeakPolarHBondContact OD1-CB 3.44Å; D88-Q105 VanDerWaalsContact CG-N 3.34Å; D88-Q105 PolarHBondContact N-O 2.94Å; D88-Q105 PolarHBondContact OD1-N 3.24Å; D88-Q105 WeakPolarHBondContact OD2-CB 3.16Å; D88-Q105 WeakPolarHBondContact OD2-CG 3.26Å; D88-Q105 PolarHBondContact OD2-N 2.79Å; D88-Q105 PolarHBondContact OD2-NE2 2.82Å; D88-L107 HydrophobicContact CB-CD1 4.14Å; D88-L107 HydrophobicContact CB-CD2 4.31Å; D88-L107 HydrophobicContact CB-CG 4.4Å | ||
| 89 | N | 92.6 | Very high | 91.4 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -89.5 | -0.3 | -177.7 | 65 | -15.4 | 0 | 0 | 0 | 115.3 | F71 V72 | F71-N89 HydrophobicContact CD1-CB 3.57Å; F71-N89 VanDerWaalsContact CE1-CA 3.5Å; F71-N89 HydrophobicContact CE1-CB 3.68Å; F71-N89 HydrophobicContact CG-CB 4.46Å; F71-N89 WeakPolarHBondContact O-CB 3.38Å; F71-N89 PolarHBondContact O-ND2 2.84Å; V72-N89 PolarHBondContact O-N 2.81Å |
| 90 | A | 92.4 | Very high | 91.4 | Very high | 35 Ų | 35 | 57.4 Ų | 57.4 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -72.2 | 177.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D88 N102 R104 | D88-A90 PolarHBondContact OD1-N 2.88Å; A90-N102 WeakPolarHBondContact CB-O 3.42Å; A90-R104 HydrophobicContact CB-CB 4.16Å; A90-R104 WeakPolarHBondContact O-CB 3.36Å |
| 91 | L | 90.8 | Very high | 91.5 | Very high | 68 Ų | 68 | 56 Ų | 56 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -75.8 | 150.3 | -168.1 | -64.3 | 179.8 | 0 | 0 | 0 | 112.7 | R95 A96 N102 R104 | L91-R95 WeakPolarHBondContact CD1-O 3.33Å; L91-A96 HydrophobicContact CB-CB 4.45Å; L91-N102 WeakPolarHBondContact CD1-ND2 3.31Å; L91-N102 PolarHBondContact N-O 2.76Å; L91-R104 WeakPolarHBondContact O-CB 3.17Å; L91-R104 WeakPolarHBondContact O-CG 3.14Å; L91-R104 PolarHBondContact O-N 3.15Å |
| 92 | N | 89.9 | Confident | 91.7 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | trans | -60.1 | 135.1 | 167.7 | -170.7 | 10.2 | 0 | 0 | 0 | 108.8 | E94 R95 A96 R104 | N92-E94 PolarHBondContact ND2-OE2 3.42Å; N92-E94 PolarHBondContact O-N 3.07Å; N92-R95 CarbonylContact O-C 3.58Å; N92-R95 WeakPolarHBondContact O-CA 3.27Å; N92-R95 PolarHBondContact O-N 2.94Å; N92-A96 PolarHBondContact O-N 2.84Å; N92-A96 VanDerWaalsContact O-N 3.11Å; N92-R104 PolarHBondContact OD1-NH2 3.44Å | ||
| 93 | P | 89.8 | Confident | 91.8 | Very high | 32 Ų | 32 | 57.9 Ų | 57.9 | 21% | 0.208 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -40.6 | -42.3 | 176 | -38.1 | 33.2 | 0 | 0 | 0 | 115.6 | R95 A96 M100 | P93-R95 PolarHBondContact O-N 3.26Å; P93-R95 VanDerWaalsContact O-N 3.09Å; P93-A96 PolarHBondContact O-N 3.13Å; P93-A96 VanDerWaalsContact O-N 3.13Å; P93-M100 HydrophobicContact CB-CE 3.57Å; P93-M100 HydrophobicContact CG-CE 3.81Å |
| 94 | E | 88.3 | Confident | 91.8 | Very high | 163 Ų | 163 | 55.8 Ų | 55.8 | 76% | 0.762 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -60.9 | -19.3 | 177.4 | -62.9 | 169.1 | 162.4 | 0 | 0 | 114.8 | N92 | N92-E94 PolarHBondContact ND2-OE2 3.42Å; N92-E94 PolarHBondContact O-N 3.07Å |
| 95 | R | 89.6 | Confident | 91.7 | Very high | 173 Ų | 173 | 57.5 Ų | 57.5 | 65% | 0.653 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -117.8 | 2.9 | -179.1 | -64.4 | -179.5 | 58.9 | -179 | -4.2 | 112.4 | L91 N92 P93 | L91-R95 WeakPolarHBondContact CD1-O 3.33Å; N92-R95 CarbonylContact O-C 3.58Å; N92-R95 WeakPolarHBondContact O-CA 3.27Å; N92-R95 PolarHBondContact O-N 2.94Å; P93-R95 PolarHBondContact O-N 3.26Å; P93-R95 VanDerWaalsContact O-N 3.09Å |
| 96 | A | 90.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -81.3 | 168.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L91 N92 P93 M100 N102 A103 | L91-A96 HydrophobicContact CB-CB 4.45Å; N92-A96 PolarHBondContact O-N 2.84Å; N92-A96 VanDerWaalsContact O-N 3.11Å; P93-A96 PolarHBondContact O-N 3.13Å; P93-A96 VanDerWaalsContact O-N 3.13Å; A96-M100 HydrophobicContact CB-SD 4.13Å; A96-N102 WeakPolarHBondContact CA-OD1 3.49Å; A96-N102 WeakPolarHBondContact CB-OD1 3.26Å; A96-A103 HydrophobicContact CB-CB 3.75Å |
| 97 | L | 89.7 | Confident | 91.6 | Very high | 87 Ų | 87 | 57.6 Ų | 57.6 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -65.1 | 155.2 | 170.2 | -68.7 | 170.7 | 0 | 0 | 0 | 110.6 | D99 M100 N102 | L97-D99 VanDerWaalsContact CB-OD1 3.26Å; L97-D99 WeakPolarHBondContact CB-OD1 3.36Å; L97-D99 PolarHBondContact O-N 2.92Å; L97-D99 VanDerWaalsContact O-N 3.13Å; L97-M100 PolarHBondContact O-N 2.87Å; L97-N102 PolarHBondContact N-OD1 3.48Å | ||
| 98 | P | 86.9 | Confident | 91.7 | Very high | 134 Ų | 134 | 57.1 Ų | 57.1 | 87% | 0.87 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.9 | 179.6 | -26.5 | 35.2 | 0 | 0 | 0 | 114.6 | M100 | P98-M100 VanDerWaalsContact C-N 3.27Å; P98-M100 PolarHBondContact O-N 3.14Å |
| 99 | D | 88.1 | Confident | 91.9 | Very high | 111 Ų | 111 | 56.6 Ų | 56.6 | 59% | 0.594 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -4 | 178.1 | 71.2 | -9.2 | 0 | 0 | 0 | 113.7 | L97 S101 | L97-D99 VanDerWaalsContact CB-OD1 3.26Å; L97-D99 WeakPolarHBondContact CB-OD1 3.36Å; L97-D99 PolarHBondContact O-N 2.92Å; L97-D99 VanDerWaalsContact O-N 3.13Å; D99-S101 VanDerWaalsContact CG-OG 3.28Å; D99-S101 PolarHBondContact O-N 2.73Å; D99-S101 VanDerWaalsContact O-N 3.15Å; D99-S101 WeakPolarHBondContact OD1-CB 3.35Å; D99-S101 PolarHBondContact OD1-N 2.93Å; D99-S101 PolarHBondContact OD1-OG 3.5Å; D99-S101 WeakPolarHBondContact OD2-CB 3.23Å; D99-S101 PolarHBondContact OD2-OG 3.01Å |
| 100 | M | 87 | Confident | 92.1 | Very high | 34 Ų | 34 | 52.5 Ų | 52.5 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | trans | 60.7 | 15.2 | -178.7 | -59.3 | -67.2 | -76.1 | 0 | 0 | 114.6 | P93 A96 L97 P98 N102 A103 | P93-M100 HydrophobicContact CB-CE 3.57Å; P93-M100 HydrophobicContact CG-CE 3.81Å; A96-M100 HydrophobicContact CB-SD 4.13Å; L97-M100 PolarHBondContact O-N 2.87Å; P98-M100 VanDerWaalsContact C-N 3.27Å; P98-M100 PolarHBondContact O-N 3.14Å; M100-N102 VanDerWaalsContact C-N 3.27Å; M100-N102 PolarHBondContact O-N 3.25Å; M100-A103 HydrophobicContact CB-CB 4.04Å; M100-A103 HydrophobicContact CE-CB 3.45Å; M100-A103 VanDerWaalsContact CE-CB 3.45Å; M100-A103 WeakPolarHBondContact O-CB 3.35Å; M100-A103 PolarHBondContact O-N 3.32Å; M100-A103 VanDerWaalsContact O-N 3.11Å; M100-A103 HydrophobicContact SD-CB 3.98Å | ||
| 101 | S | 87.9 | Confident | 92.3 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -36.8 | -177.6 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | D99 | D99-S101 VanDerWaalsContact CG-OG 3.28Å; D99-S101 PolarHBondContact O-N 2.73Å; D99-S101 VanDerWaalsContact O-N 3.15Å; D99-S101 WeakPolarHBondContact OD1-CB 3.35Å; D99-S101 PolarHBondContact OD1-N 2.93Å; D99-S101 PolarHBondContact OD1-OG 3.5Å; D99-S101 WeakPolarHBondContact OD2-CB 3.23Å; D99-S101 PolarHBondContact OD2-OG 3.01Å |
| 102 | N | 91.2 | Very high | 92.4 | Very high | 54 Ų | 54 | 49.4 Ų | 49.4 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 12.9 | 177.8 | 70.8 | -7 | 0 | 0 | 0 | 113.8 | A90 L91 A96 L97 M100 | A90-N102 WeakPolarHBondContact CB-O 3.42Å; L91-N102 WeakPolarHBondContact CD1-ND2 3.31Å; L91-N102 PolarHBondContact N-O 2.76Å; A96-N102 WeakPolarHBondContact CA-OD1 3.49Å; A96-N102 WeakPolarHBondContact CB-OD1 3.26Å; L97-N102 PolarHBondContact N-OD1 3.48Å; M100-N102 VanDerWaalsContact C-N 3.27Å; M100-N102 PolarHBondContact O-N 3.25Å |
| 103 | A | 93 | Very high | 92.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 143 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | A96 M100 R142 | A96-A103 HydrophobicContact CB-CB 3.75Å; M100-A103 HydrophobicContact CB-CB 4.04Å; M100-A103 HydrophobicContact CE-CB 3.45Å; M100-A103 VanDerWaalsContact CE-CB 3.45Å; M100-A103 WeakPolarHBondContact O-CB 3.35Å; M100-A103 PolarHBondContact O-N 3.32Å; M100-A103 VanDerWaalsContact O-N 3.11Å; M100-A103 HydrophobicContact SD-CB 3.98Å; A103-R142 WeakPolarHBondContact O-CD 3.28Å; A103-R142 PolarHBondContact O-NE 2.79Å |
| 104 | R | 94 | Very high | 91.5 | Very high | 25 Ų | 25 | 51.4 Ų | 51.4 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 147.5 | 178.5 | 71.1 | -167.4 | 169.2 | 139.9 | -5.9 | 112.3 | F87 D88 A90 L91 N92 | F87-R104 HydrophobicContact CD1-CG 3.97Å; F87-R104 VanDerWaalsContact CD1-NH1 3.26Å; F87-R104 VanDerWaalsContact CE2-NH1 3.32Å; F87-R104 VanDerWaalsContact CG-NH1 3.34Å; D88-R104 WeakPolarHBondContact OD1-CA 3.44Å; D88-R104 WeakPolarHBondContact OD1-CB 3.44Å; A90-R104 HydrophobicContact CB-CB 4.16Å; A90-R104 WeakPolarHBondContact O-CB 3.36Å; L91-R104 WeakPolarHBondContact O-CB 3.17Å; L91-R104 WeakPolarHBondContact O-CG 3.14Å; L91-R104 PolarHBondContact O-N 3.15Å; N92-R104 PolarHBondContact OD1-NH2 3.44Å |
| 105 | Q | 95.5 | Very high | 90.4 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -97 | 153.9 | 173.6 | -63 | 169.9 | 81.2 | 0 | 0 | 110.8 | F87 D88 L107 L141 R142 | F87-Q105 VanDerWaalsContact CA-O 3.25Å; F87-Q105 WeakPolarHBondContact CA-O 3.25Å; D88-Q105 VanDerWaalsContact CG-N 3.34Å; D88-Q105 PolarHBondContact N-O 2.94Å; D88-Q105 PolarHBondContact OD1-N 3.24Å; D88-Q105 WeakPolarHBondContact OD2-CB 3.16Å; D88-Q105 WeakPolarHBondContact OD2-CG 3.26Å; D88-Q105 PolarHBondContact OD2-N 2.79Å; D88-Q105 PolarHBondContact OD2-NE2 2.82Å; Q105-L107 HydrophobicContact CB-CD2 4.34Å; Q105-L141 CarbonylContact C-O 3.56Å; Q105-L141 VanDerWaalsContact CA-O 3.23Å; Q105-L141 WeakPolarHBondContact CA-O 3.46Å; Q105-R142 HydrophobicContact CG-CG 3.56Å |
| 106 | E | 97.3 | Very high | 88.9 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124 | 163.3 | -65.8 | -168.5 | 177.8 | 0 | 0 | 110 | T85 V86 F87 P130 L141 P143 G149 L150 | T85-E106 HydrophobicContact CG2-CB 4.3Å; T85-E106 VanDerWaalsContact CG2-CD 3.43Å; T85-E106 HydrophobicContact CG2-CG 3.76Å; V86-E106 CarbonylContact O-C 3.52Å; V86-E106 WeakPolarHBondContact O-CA 3.17Å; F87-E106 HydrophobicContact CD1-CG 3.87Å; F87-E106 HydrophobicContact CE1-CG 3.57Å; F87-E106 HydrophobicContact CZ-CG 4.49Å; E106-P130 VanDerWaalsContact O-CG 3.26Å; E106-P130 WeakPolarHBondContact O-CG 3.33Å; E106-L141 HydrophobicContact CB-CD2 4.29Å; E106-L141 PolarHBondContact N-O 2.99Å; E106-P143 HydrophobicContact CG-CG 3.64Å; E106-P143 WeakPolarHBondContact OE1-CG 3.03Å; E106-G149 WeakPolarHBondContact OE2-CA 3.42Å; E106-L150 HydrophobicContact CB-CD1 3.63Å; E106-L150 HydrophobicContact CB-CG 3.86Å; E106-L150 WeakPolarHBondContact OE2-CB 3.27Å; E106-L150 PolarHBondContact OE2-N 3.26Å |
| 107 | L | 98 | Very high | 87.3 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -32.2 | -175 | -54.5 | 177.1 | 0 | 0 | 0 | 112.2 | M1 V86 D88 Q105 P130 V229 Q230 | M1-L107 HydrophobicContact CE-CD1 3.32Å; M1-L107 HydrophobicContact CE-CD2 3.59Å; M1-L107 HydrophobicContact CE-CG 4.08Å; M1-L107 HydrophobicContact SD-CD1 4.14Å; V86-L107 HydrophobicContact CB-CB 4.26Å; V86-L107 HydrophobicContact CG1-CB 4.16Å; V86-L107 HydrophobicContact CG1-CD1 4.23Å; V86-L107 PolarHBondContact O-N 2.99Å; D88-L107 HydrophobicContact CB-CD1 4.14Å; D88-L107 HydrophobicContact CB-CD2 4.31Å; D88-L107 HydrophobicContact CB-CG 4.4Å; Q105-L107 HydrophobicContact CB-CD2 4.34Å; L107-P130 WeakPolarHBondContact O-CD 3.19Å; L107-V229 HydrophobicContact CD1-CG1 4.04Å; L107-Q230 HydrophobicContact CB-CG 4.15Å; L107-Q230 PolarHBondContact O-NE2 2.66Å |
| 108 | A | 98.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 146 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | T85 V86 I110 I128 I129 L150 Q230 | T85-A108 WeakPolarHBondContact CA-O 3.48Å; V86-A108 HydrophobicContact CB-CB 4.12Å; V86-A108 HydrophobicContact CG2-CB 3.83Å; V86-A108 PolarHBondContact N-O 3.23Å; A108-I110 HydrophobicContact CB-CD1 4.34Å; A108-I128 CarbonylContact C-O 3.58Å; A108-I128 VanDerWaalsContact CA-O 3.26Å; A108-I128 WeakPolarHBondContact CA-O 3.24Å; A108-I129 HydrophobicContact CB-CG2 3.94Å; A108-L150 VanDerWaalsContact C-CD1 3.4Å; A108-Q230 HydrophobicContact CB-CG 4.41Å |
| 109 | G | 98.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | F84 V127 I128 | F84-G109 CarbonylContact O-C 3.45Å; F84-G109 WeakPolarHBondContact O-CA 3.48Å; G109-V127 CarbonylContact O-C 3.45Å; G109-V127 WeakPolarHBondContact O-CA 3.22Å; G109-I128 PolarHBondContact N-O 2.87Å; G109-I128 PolarHBondContact O-N 3.4Å |
| 110 | I | 97.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.6 | 178.1 | -55.5 | 93 | 0 | 0 | 0 | 108.4 | L75 K83 F84 V86 A108 Y112 M125 T126 V127 I234 | L75-I110 HydrophobicContact CD1-CD1 4.24Å; K83-I110 CarbonylContact C-O 3.57Å; K83-I110 VanDerWaalsContact CA-O 3.27Å; K83-I110 WeakPolarHBondContact CA-O 3.33Å; F84-I110 HydrophobicContact CB-CB 4.22Å; F84-I110 HydrophobicContact CB-CD1 4.13Å; F84-I110 PolarHBondContact N-O 2.93Å; F84-I110 PolarHBondContact O-N 3.13Å; V86-I110 HydrophobicContact CG2-CD1 3.78Å; A108-I110 HydrophobicContact CB-CD1 4.34Å; I110-Y112 HydrophobicContact CG2-CD2 4.07Å; I110-Y112 HydrophobicContact CG2-CE2 3.52Å; I110-M125 HydrophobicContact CG2-CE 3.68Å; I110-M125 HydrophobicContact CG2-CG 4.31Å; I110-T126 CarbonylContact C-O 3.58Å; I110-T126 WeakPolarHBondContact CA-O 3.32Å; I110-V127 HydrophobicContact CG1-CG2 4.42Å; I110-I234 HydrophobicContact CD1-CG1 4.2Å; I110-I234 HydrophobicContact CG1-CG1 4.01Å |
| 111 | I | 96.1 | Very high | 80.7 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 10% | 0.103 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.3 | 177.1 | -54.8 | 172.2 | 0 | 0 | 0 | 107.9 | K83 M125 T126 L151 Y154 | K83-I111 HydrophobicContact CG-CG1 4.43Å; K83-I111 HydrophobicContact CG-CG2 4.41Å; I111-M125 CarbonylContact O-C 3.57Å; I111-M125 WeakPolarHBondContact O-CA 3.45Å; I111-T126 PolarHBondContact N-O 2.77Å; I111-T126 PolarHBondContact O-N 3.45Å; I111-L151 HydrophobicContact CD1-CD2 3.92Å; I111-L151 HydrophobicContact CG1-CD2 3.66Å; I111-Y154 HydrophobicContact CD1-CD1 3.49Å; I111-Y154 VanDerWaalsContact CD1-CD1 3.49Å; I111-Y154 HydrophobicContact CD1-CE1 3.52Å |
| 112 | Y | 92.1 | Very high | 79.3 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.9 | 167.1 | -64.7 | -84.9 | 0 | 0 | 0 | 107.9 | T82 F84 I110 T114 M125 S237 S238 K242 | T82-Y112 PolarHBondContact O-N 2.99Å; F84-Y112 HydrophobicContact CD2-CD2 4.05Å; F84-Y112 AromaticContact CD2-CE2 3.85Å; F84-Y112 HydrophobicContact CD2-CE2 3.85Å; F84-Y112 AromaticContact CE2-CD2 3.74Å; F84-Y112 HydrophobicContact CE2-CD2 3.74Å; F84-Y112 AromaticContact CE2-CE2 3.61Å; F84-Y112 HydrophobicContact CE2-CE2 3.61Å; I110-Y112 HydrophobicContact CG2-CD2 4.07Å; I110-Y112 HydrophobicContact CG2-CE2 3.52Å; Y112-T114 PolarHBondContact O-N 2.97Å; Y112-M125 HydrophobicContact CD1-CB 4.22Å; Y112-M125 HydrophobicContact CD1-CG 4.2Å; Y112-M125 HydrophobicContact CE1-CB 4.25Å; Y112-M125 HydrophobicContact CE1-CE 4.26Å; Y112-M125 HydrophobicContact CE1-CG 3.88Å; Y112-M125 HydrophobicContact CE1-SD 3.75Å; Y112-S237 PolarHBondContact OH-O 3.25Å; Y112-S237 PolarHBondContact OH-OG 3.13Å; Y112-S238 WeakPolarHBondContact OH-CA 3.45Å; Y112-S238 PolarHBondContact OH-N 3.2Å; Y112-K242 HydrophobicContact CD1-CD 4.29Å; Y112-K242 VanDerWaalsContact CD1-CE 3.46Å; Y112-K242 HydrophobicContact CD2-CD 4.22Å; Y112-K242 HydrophobicContact CG-CD 3.96Å |
| 113 | E | 86.9 | Confident | 78.5 | Confident | 63 Ų | 63 | 58.2 Ų | 58.2 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 131.1 | 175.5 | -67.5 | -175 | -168.3 | 0 | 0 | 109.8 | R124 | E113-R124 HydrophobicContact CB-CB 4.03Å; E113-R124 VanDerWaalsContact CD-NH1 3.29Å; E113-R124 HydrophobicContact CG-CB 3.93Å; E113-R124 PolarHBondContact N-O 3.35Å; E113-R124 IonicContact OE1-CZ 2.69Å; E113-R124 IonicContact OE1-NE 2.82Å; E113-R124 PolarHBondContact OE1-NE 3.49Å; E113-R124 IonicContact OE1-NH1 2.79Å; E113-R124 PolarHBondContact OE1-NH1 2.84Å; E113-R124 IonicContact OE1-NH2 2.88Å; E113-R124 VanDerWaalsContact OE2-CD 3.24Å; E113-R124 WeakPolarHBondContact OE2-CD 3.3Å; E113-R124 IonicContact OE2-CZ 3.24Å; E113-R124 IonicContact OE2-NE 3.31Å; E113-R124 IonicContact OE2-NH1 3.39Å; E113-R124 PolarHBondContact OE2-NH1 3.31Å |
| 114 | T | 74.9 | Confident | 78.2 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 130.5 | 174.3 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | T82 Y112 V116 A244 | T82-T114 HydrophobicContact CG2-CG2 3.37Å; Y112-T114 PolarHBondContact O-N 2.97Å; T114-V116 VanDerWaalsContact O-CG2 3.27Å; T114-V116 WeakPolarHBondContact O-CG2 3.26Å; T114-V116 PolarHBondContact O-N 3.21Å; T114-V116 WeakPolarHBondContact OG1-CG2 3.37Å; T114-A244 HydrophobicContact CG2-CB 3.87Å |
| 115 | N | 64.9 | Low | 78.1 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | trans | -78.6 | 87.4 | 173.6 | -69.1 | -16.6 | 0 | 0 | 0 | 108.9 | L117 M119 | N115-L117 VanDerWaalsContact C-N 3.25Å; N115-L117 PolarHBondContact O-N 3.06Å; N115-M119 PolarHBondContact ND2-O 3.49Å | ||
| 116 | V | 57.8 | Low | 78.2 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.6 | -172 | -146.1 | 0 | 0 | 0 | 0 | 113.7 | T114 | T114-V116 VanDerWaalsContact O-CG2 3.27Å; T114-V116 WeakPolarHBondContact O-CG2 3.26Å; T114-V116 PolarHBondContact O-N 3.21Å; T114-V116 WeakPolarHBondContact OG1-CG2 3.37Å |
| 117 | L | 57.2 | Low | 78.3 | Confident | 154 Ų | 154 | 61.2 Ų | 61.2 | 81% | 0.806 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.9 | 27.9 | -170.4 | -89 | 126 | 0 | 0 | 0 | 114.7 | N115 M119 | N115-L117 VanDerWaalsContact C-N 3.25Å; N115-L117 PolarHBondContact O-N 3.06Å; L117-M119 PolarHBondContact O-N 2.76Å; L117-M119 VanDerWaalsContact O-N 3.09Å |
| 118 | G | 53.4 | Low | 78.3 | Confident | 69 Ų | 69 | 61.1 Ų | 61.1 | 71% | 0.711 | 33% | 0.328 | S | S | * | . | trans | 68 | 11.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K120 | G118-K120 PolarHBondContact O-N 2.76Å; G118-K120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | M | 50.7 | Low | 78.3 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 68% | 0.68 | 33% | 0.328 | S | S | * | . | trans | -64.8 | 111.4 | 172.9 | -67.1 | -165.2 | -61.9 | 0 | 0 | 109.5 | N115 L117 G121 | N115-M119 PolarHBondContact ND2-O 3.49Å; L117-M119 PolarHBondContact O-N 2.76Å; L117-M119 VanDerWaalsContact O-N 3.09Å; M119-G121 PolarHBondContact O-N 2.87Å | ||
| 120 | K | 51.4 | Low | 78.3 | Confident | 214 Ų | 214 | 61.2 Ų | 61.2 | 93% | 0.93 | 33% | 0.328 | S | S | * | . | trans | -74.8 | 111.4 | 173.1 | -68.9 | -178.3 | 178 | 179 | 0 | 108.3 | G118 | G118-K120 PolarHBondContact O-N 2.76Å; G118-K120 VanDerWaalsContact O-N 3.11Å | ||
| 121 | G | 56.8 | Low | 78.3 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -166.1 | 158.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M119 R123 | M119-G121 PolarHBondContact O-N 2.87Å; G121-R123 PolarHBondContact O-N 2.85Å |
| 122 | P | 59.3 | Low | 78.3 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 132.1 | 174.3 | -22.8 | 32.8 | 0 | 0 | 0 | 110.8 | R124 | P122-R124 PolarHBondContact O-N 2.86Š|
| 123 | R | 73.6 | Confident | 78.5 | Confident | 104 Ų | 104 | 63.2 Ų | 63.2 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 123.8 | -179.5 | -68.5 | -177.7 | -175.4 | 148.7 | -0.2 | 109.7 | G121 N167 C245 | G121-R123 PolarHBondContact O-N 2.85Å; R123-N167 PolarHBondContact O-ND2 2.84Å; R123-C245 PolarHBondContact NE-O 3.45Å; R123-C245 VanDerWaalsContact NE-O 3.15Å; R123-C245 PolarHBondContact NH2-O 2.96Å |
| 124 | R | 87.4 | Confident | 78.8 | Confident | 138 Ų | 138 | 69.9 Ų | 69.9 | 52% | 0.521 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -80 | 130.3 | 176.1 | -69.9 | 178 | 65.6 | -153.5 | 8.4 | 110.1 | E113 P122 | E113-R124 HydrophobicContact CB-CB 4.03Å; E113-R124 VanDerWaalsContact CD-NH1 3.29Å; E113-R124 HydrophobicContact CG-CB 3.93Å; E113-R124 PolarHBondContact N-O 3.35Å; E113-R124 IonicContact OE1-CZ 2.69Å; E113-R124 IonicContact OE1-NE 2.82Å; E113-R124 PolarHBondContact OE1-NE 3.49Å; E113-R124 IonicContact OE1-NH1 2.79Å; E113-R124 PolarHBondContact OE1-NH1 2.84Å; E113-R124 IonicContact OE1-NH2 2.88Å; E113-R124 VanDerWaalsContact OE2-CD 3.24Å; E113-R124 WeakPolarHBondContact OE2-CD 3.3Å; E113-R124 IonicContact OE2-CZ 3.24Å; E113-R124 IonicContact OE2-NE 3.31Å; E113-R124 IonicContact OE2-NH1 3.39Å; E113-R124 PolarHBondContact OE2-NH1 3.31Å; P122-R124 PolarHBondContact O-N 2.86Å |
| 125 | M | 93.1 | Very high | 79.7 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.6 | 179.7 | 177.7 | -178.5 | -178.9 | 0 | 0 | 108.2 | I110 I111 Y112 V127 H166 N167 F195 I197 I234 | I110-M125 HydrophobicContact CG2-CE 3.68Å; I110-M125 HydrophobicContact CG2-CG 4.31Å; I111-M125 CarbonylContact O-C 3.57Å; I111-M125 WeakPolarHBondContact O-CA 3.45Å; Y112-M125 HydrophobicContact CD1-CB 4.22Å; Y112-M125 HydrophobicContact CD1-CG 4.2Å; Y112-M125 HydrophobicContact CE1-CB 4.25Å; Y112-M125 HydrophobicContact CE1-CE 4.26Å; Y112-M125 HydrophobicContact CE1-CG 3.88Å; Y112-M125 HydrophobicContact CE1-SD 3.75Å; M125-V127 HydrophobicContact CE-CG2 3.79Å; M125-V127 HydrophobicContact CG-CG2 4.37Å; M125-H166 CarbonylContact O-C 3.59Å; M125-H166 VanDerWaalsContact O-CA 3.27Å; M125-H166 WeakPolarHBondContact O-CA 3.35Å; M125-N167 HydrophobicContact CB-CB 4.11Å; M125-N167 PolarHBondContact N-OD1 2.78Å; M125-N167 PolarHBondContact O-N 2.86Å; M125-N167 PolarHBondContact O-OD1 3.15Å; M125-F195 HydrophobicContact CE-CE2 4.32Å; M125-F195 HydrophobicContact CE-CZ 4.4Å; M125-F195 HydrophobicContact SD-CD2 4.38Å; M125-F195 HydrophobicContact SD-CE2 4.31Å; M125-I197 HydrophobicContact CE-CD1 4.27Å; M125-I197 HydrophobicContact SD-CD1 3.96Å; M125-I234 HydrophobicContact CE-CG2 3.34Å |
| 126 | T | 97.2 | Very high | 81.1 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.7 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 108.8 | I110 I111 I128 Y154 E164 L165 H166 | I110-T126 CarbonylContact C-O 3.58Å; I110-T126 WeakPolarHBondContact CA-O 3.32Å; I111-T126 PolarHBondContact N-O 2.77Å; I111-T126 PolarHBondContact O-N 3.45Å; T126-I128 HydrophobicContact CG2-CD1 3.66Å; T126-I128 HydrophobicContact CG2-CG1 4.38Å; T126-Y154 HydrophobicContact CG2-CE1 4.44Å; T126-Y154 HydrophobicContact CG2-CE2 4.43Å; T126-E164 HydrophobicContact CG2-CG 4.24Å; T126-L165 CarbonylContact C-O 3.57Å; T126-L165 WeakPolarHBondContact CA-O 3.13Å; T126-H166 PolarHBondContact OG1-ND1 2.81Å |
| 127 | V | 98.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.7 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 108 | G109 I110 M125 I129 L165 I197 I234 | G109-V127 CarbonylContact O-C 3.45Å; G109-V127 WeakPolarHBondContact O-CA 3.22Å; I110-V127 HydrophobicContact CG1-CG2 4.42Å; M125-V127 HydrophobicContact CE-CG2 3.79Å; M125-V127 HydrophobicContact CG-CG2 4.37Å; V127-I129 HydrophobicContact CG1-CG2 4.08Å; V127-L165 HydrophobicContact CB-CB 4.23Å; V127-L165 PolarHBondContact N-O 2.96Å; V127-L165 PolarHBondContact O-N 3.22Å; V127-I197 HydrophobicContact CG2-CD1 4.22Å; V127-I234 HydrophobicContact CG1-CD1 3.7Å; V127-I234 HydrophobicContact CG1-CG1 4.28Å; V127-I234 HydrophobicContact CG2-CG2 4.36Å |
| 128 | I | 98.6 | Very high | 84.6 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.9 | 176.8 | -48.2 | -57.5 | 0 | 0 | 0 | 107.7 | A108 G109 T126 L150 Y154 L162 I163 E164 | A108-I128 CarbonylContact C-O 3.58Å; A108-I128 VanDerWaalsContact CA-O 3.26Å; A108-I128 WeakPolarHBondContact CA-O 3.24Å; G109-I128 PolarHBondContact N-O 2.87Å; G109-I128 PolarHBondContact O-N 3.4Å; T126-I128 HydrophobicContact CG2-CD1 3.66Å; T126-I128 HydrophobicContact CG2-CG1 4.38Å; I128-L150 HydrophobicContact CG2-CB 4.35Å; I128-L150 HydrophobicContact CG2-CD2 4.08Å; I128-Y154 HydrophobicContact CD1-CD1 4.44Å; I128-Y154 HydrophobicContact CD1-CD2 3.47Å; I128-Y154 VanDerWaalsContact CD1-CD2 3.47Å; I128-Y154 HydrophobicContact CD1-CE2 3.84Å; I128-Y154 HydrophobicContact CD1-CG 3.81Å; I128-Y154 HydrophobicContact CG1-CD1 4.42Å; I128-Y154 HydrophobicContact CG1-CD2 4.11Å; I128-Y154 HydrophobicContact CG1-CG 3.92Å; I128-L162 HydrophobicContact CG2-CB 4.36Å; I128-L162 HydrophobicContact CG2-CD1 4.11Å; I128-I163 WeakPolarHBondContact CA-O 3.35Å; I128-E164 HydrophobicContact CD1-CB 4.03Å; I128-E164 HydrophobicContact CD1-CG 3.82Å |
| 129 | I | 98.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 156.2 | 174.3 | 60.4 | -178.2 | 0 | 0 | 0 | 109.9 | A108 V127 I163 L165 P225 | A108-I129 HydrophobicContact CB-CG2 3.94Å; V127-I129 HydrophobicContact CG1-CG2 4.08Å; I129-I163 HydrophobicContact CD1-CB 4.35Å; I129-I163 HydrophobicContact CD1-CG2 4.46Å; I129-I163 HydrophobicContact CG1-CB 3.78Å; I129-I163 HydrophobicContact CG1-CG2 4.31Å; I129-I163 PolarHBondContact N-O 3.2Å; I129-I163 PolarHBondContact O-N 3.25Å; I129-L165 HydrophobicContact CD1-CD1 3.88Å; I129-L165 HydrophobicContact CG1-CD1 4.47Å; I129-P225 HydrophobicContact CD1-CG 3.61Å |
| 130 | P | 98.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 147.3 | 172.1 | -19.7 | 31.5 | 0 | 0 | 0 | 110.9 | E106 L107 R138 V139 L141 L150 | E106-P130 VanDerWaalsContact O-CG 3.26Å; E106-P130 WeakPolarHBondContact O-CG 3.33Å; L107-P130 WeakPolarHBondContact O-CD 3.19Å; P130-R138 HydrophobicContact CB-CG 3.74Å; P130-R138 HydrophobicContact CG-CG 4.24Å; P130-V139 VanDerWaalsContact CB-O 3.25Å; P130-V139 WeakPolarHBondContact CB-O 3.48Å; P130-L141 HydrophobicContact CG-CB 4.34Å; P130-L150 HydrophobicContact CG-CD2 4.18Å |
| 131 | G | 97.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 55 Ų | 55 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | trans | -67.2 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V139 N161 | G131-V139 PolarHBondContact O-N 2.9Å; G131-N161 WeakPolarHBondContact CA-O 3.44Å; G131-N161 PolarHBondContact N-O 2.99Å | ||
| 132 | M | 97.3 | Very high | 92.5 | Very high | 37 Ų | 37 | 57.2 Ų | 57.2 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -114 | 142.4 | -177.2 | -54.3 | -58.1 | -71.8 | 0 | 0 | 110 | P3 N136 E137 R138 I163 Y224 P225 | P3-M132 HydrophobicContact CB-CE 4.16Å; P3-M132 HydrophobicContact CG-CE 3.59Å; M132-N136 WeakPolarHBondContact CE-O 3.48Å; M132-E137 CarbonylContact C-O 3.57Å; M132-E137 VanDerWaalsContact CA-O 3.26Å; M132-E137 WeakPolarHBondContact CA-O 3.43Å; M132-R138 HydrophobicContact SD-CB 4.19Å; M132-R138 HydrophobicContact SD-CG 4.46Å; M132-I163 HydrophobicContact CG-CD1 4.04Å; M132-Y224 WeakPolarHBondContact CB-OH 3.48Å; M132-Y224 HydrophobicContact CE-CE2 3.64Å; M132-Y224 HydrophobicContact CG-CE2 4.41Å; M132-Y224 VanDerWaalsContact CG-OH 3.3Å; M132-Y224 WeakPolarHBondContact CG-OH 3.26Å; M132-P225 HydrophobicContact CE-CB 4.21Å; M132-P225 HydrophobicContact CG-CB 3.61Å; M132-P225 HydrophobicContact SD-CB 3.77Å |
| 133 | S | 95.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 54.1 Ų | 54.1 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | trans | -74.3 | 177.1 | 173.2 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | D135 N136 E137 | S133-D135 PolarHBondContact O-N 3.33Å; S133-D135 PolarHBondContact OG-N 3.46Å; S133-N136 PolarHBondContact O-N 3.04Å; S133-E137 PolarHBondContact N-O 3.47Å; S133-E137 PolarHBondContact OG-N 3.45Å; S133-E137 PolarHBondContact OG-O 3.4Å | ||
| 134 | K | 93.1 | Very high | 94.4 | Very high | 202 Ų | 202 | 58.6 Ų | 58.6 | 88% | 0.878 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.6 | 173.9 | -65.1 | -177.8 | 179.8 | 179.6 | 0 | 112.7 | N136 | K134-N136 PolarHBondContact O-N 2.84Š|
| 135 | D | 94.1 | Very high | 94.2 | Very high | 131 Ų | 131 | 56.5 Ų | 56.5 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 12.1 | 179.9 | -50.8 | -57.1 | 0 | 0 | 0 | 112.3 | S133 E137 | S133-D135 PolarHBondContact O-N 3.33Å; S133-D135 PolarHBondContact OG-N 3.46Å; D135-E137 HydrophobicContact CB-CG 4.5Å; D135-E137 PolarHBondContact O-N 3.35Å |
| 136 | N | 93.3 | Very high | 93.6 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 60.5 | 24.1 | -176.2 | -56.7 | -52.3 | 0 | 0 | 0 | 113.9 | Q6 M132 S133 K134 Y224 | Q6-N136 PolarHBondContact NE2-OD1 2.67Å; M132-N136 WeakPolarHBondContact CE-O 3.48Å; S133-N136 PolarHBondContact O-N 3.04Å; K134-N136 PolarHBondContact O-N 2.84Å; N136-Y224 HydrophobicContact CB-CE2 3.97Å; N136-Y224 PolarHBondContact OD1-OH 3.37Å |
| 137 | E | 94.3 | Very high | 93 | Very high | 135 Ų | 135 | 69.3 Ų | 69.3 | 63% | 0.631 | 34% | 0.342 | S | S | * | . | trans | -95.9 | 153.3 | 172.4 | -63.5 | -163 | 153.7 | 0 | 0 | 111.1 | M132 S133 D135 V139 | M132-E137 CarbonylContact C-O 3.57Å; M132-E137 VanDerWaalsContact CA-O 3.26Å; M132-E137 WeakPolarHBondContact CA-O 3.43Å; S133-E137 PolarHBondContact N-O 3.47Å; S133-E137 PolarHBondContact OG-N 3.45Å; S133-E137 PolarHBondContact OG-O 3.4Å; D135-E137 HydrophobicContact CB-CG 4.5Å; D135-E137 PolarHBondContact O-N 3.35Å; E137-V139 PolarHBondContact O-N 2.72Å | ||
| 138 | R | 96 | Very high | 92.6 | Very high | 40 Ų | 40 | 70.7 Ų | 70.7 | 15% | 0.151 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 129.6 | 178.6 | -171.6 | 175.1 | -56.4 | 173 | 9.3 | 110.6 | P130 M132 P140 C227 Q230 | P130-R138 HydrophobicContact CB-CG 3.74Å; P130-R138 HydrophobicContact CG-CG 4.24Å; M132-R138 HydrophobicContact SD-CB 4.19Å; M132-R138 HydrophobicContact SD-CG 4.46Å; R138-P140 VanDerWaalsContact O-CD 3.3Å; R138-P140 WeakPolarHBondContact O-CD 3.24Å; R138-C227 PolarHBondContact NH2-SG 3.15Å; R138-Q230 VanDerWaalsContact NH1-CD 3.26Å; R138-Q230 VanDerWaalsContact NH1-NE2 3.1Å |
| 139 | V | 96 | Very high | 92.4 | Very high | 42 Ų | 42 | 70.7 Ų | 70.7 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | trans | -70.8 | 114.5 | 168.9 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | P130 G131 E137 L141 N161 | P130-V139 VanDerWaalsContact CB-O 3.25Å; P130-V139 WeakPolarHBondContact CB-O 3.48Å; G131-V139 PolarHBondContact O-N 2.9Å; E137-V139 PolarHBondContact O-N 2.72Å; V139-L141 PolarHBondContact O-N 2.88Å; V139-N161 HydrophobicContact CG1-CB 4.33Å | ||
| 140 | P | 93.8 | Very high | 92.3 | Very high | 69 Ų | 69 | 70.7 Ų | 70.7 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | trans | -68.3 | 132.7 | -172.6 | 28 | -35.6 | 0 | 0 | 0 | 111.2 | R138 | R138-P140 VanDerWaalsContact O-CD 3.3Å; R138-P140 WeakPolarHBondContact O-CD 3.24Å | ||
| 141 | L | 94 | Very high | 92.2 | Very high | 9 Ų | 9 | 71.5 Ų | 71.5 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | trans | -112.8 | 105.6 | 175.1 | -165.3 | 156.6 | 0 | 0 | 0 | 109.9 | Q105 E106 P130 V139 P143 L150 L162 | Q105-L141 CarbonylContact C-O 3.56Å; Q105-L141 VanDerWaalsContact CA-O 3.23Å; Q105-L141 WeakPolarHBondContact CA-O 3.46Å; E106-L141 HydrophobicContact CB-CD2 4.29Å; E106-L141 PolarHBondContact N-O 2.99Å; P130-L141 HydrophobicContact CG-CB 4.34Å; V139-L141 PolarHBondContact O-N 2.88Å; L141-P143 HydrophobicContact CD2-CG 3.87Å; L141-L150 HydrophobicContact CD1-CD2 3.67Å; L141-L150 HydrophobicContact CD1-CG 4.18Å; L141-L162 HydrophobicContact CD1-CD2 3.76Å | ||
| 142 | R | 93.4 | Very high | 92.1 | Very high | 90 Ų | 90 | 73 Ų | 73 | 34% | 0.34 | 36% | 0.362 | S | S | . | . | trans | -109.5 | 101.1 | 176.2 | -66.4 | -176.1 | -179.1 | 85.3 | 2 | 109.6 | A103 Q105 R144 | A103-R142 WeakPolarHBondContact O-CD 3.28Å; A103-R142 PolarHBondContact O-NE 2.79Å; Q105-R142 HydrophobicContact CG-CG 3.56Å; R142-R144 PolarHBondContact O-N 2.76Å | ||
| 143 | P | 89.9 | Confident | 92.1 | Very high | 10 Ų | 10 | 74.4 Ų | 74.4 | 7% | 0.065 | 37% | 0.365 | C | S | . | . | trans | -62.8 | 131.4 | 178.2 | -16.4 | 28.6 | 0 | 0 | 0 | 110.4 | E106 L141 D148 | E106-P143 HydrophobicContact CG-CG 3.64Å; E106-P143 WeakPolarHBondContact OE1-CG 3.03Å; L141-P143 HydrophobicContact CD2-CG 3.87Å; P143-D148 HydrophobicContact CB-CB 4.36Å | ||
| 144 | R | 82.9 | Confident | 92.1 | Very high | 199 Ų | 199 | 75.2 Ų | 75.2 | 75% | 0.751 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -84.3 | -26.8 | 177.7 | -67.1 | -175 | 176.7 | -177.1 | -1.7 | 113.2 | R142 | R142-R144 PolarHBondContact O-N 2.76Š|
| 145 | N | 82.7 | Confident | 92.1 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -157.7 | 178.8 | -178.3 | 56.5 | 49.2 | 0 | 0 | 0 | 109.7 | C147 D148 | N145-C147 PolarHBondContact O-N 2.66Å; N145-C147 WeakPolarHBondContact OD1-CA 3.05Å; N145-C147 VanDerWaalsContact OD1-CB 3.29Å; N145-C147 WeakPolarHBondContact OD1-CB 3.27Å; N145-C147 PolarHBondContact OD1-N 3.06Å; N145-D148 PolarHBondContact O-N 3.45Å; N145-D148 VanDerWaalsContact O-N 3.13Å; N145-D148 PolarHBondContact OD1-N 3.34Å |
| 146 | E | 80.8 | Confident | 92.2 | Very high | 181 Ų | 181 | 68.5 Ų | 68.5 | 85% | 0.846 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.3 | -178.9 | -56.8 | -169.1 | 149.2 | 0 | 0 | 114 | D148 | E146-D148 PolarHBondContact O-N 2.82Š|
| 147 | C | 84.4 | Confident | 92.3 | Very high | 96 Ų | 96 | 75.7 Ų | 75.7 | 65% | 0.649 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.5 | 174.9 | -57 | 0 | 0 | 0 | 0 | 112.7 | N145 V152 R158 | N145-C147 PolarHBondContact O-N 2.66Å; N145-C147 WeakPolarHBondContact OD1-CA 3.05Å; N145-C147 VanDerWaalsContact OD1-CB 3.29Å; N145-C147 WeakPolarHBondContact OD1-CB 3.27Å; N145-C147 PolarHBondContact OD1-N 3.06Å; C147-V152 VanDerWaalsContact O-CG1 3.29Å; C147-V152 WeakPolarHBondContact O-CG1 3.47Å; C147-R158 PolarHBondContact O-NH2 3.05Å |
| 148 | D | 89.8 | Confident | 92.3 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 15% | 0.15 | 35% | 0.345 | C | S | . | . | trans | -127.3 | 161.1 | 174.8 | -163 | 19.6 | 0 | 0 | 0 | 111 | P143 N145 E146 R153 | P143-D148 HydrophobicContact CB-CB 4.36Å; N145-D148 PolarHBondContact O-N 3.45Å; N145-D148 VanDerWaalsContact O-N 3.13Å; N145-D148 PolarHBondContact OD1-N 3.34Å; E146-D148 PolarHBondContact O-N 2.82Å; D148-R153 IonicContact OD1-CZ 2.72Å; D148-R153 IonicContact OD1-NE 3.09Å; D148-R153 PolarHBondContact OD1-NE 3.5Å; D148-R153 IonicContact OD1-NH2 3.39Å; D148-R153 PolarHBondContact OD1-NH2 3.33Å; D148-R153 VanDerWaalsContact OD1-NH2 3.11Å; D148-R153 IonicContact OD2-CZ 3.38Å; D148-R153 IonicContact OD2-NE 2.66Å; D148-R153 IonicContact OD2-NH2 3.73Å; D148-R153 PolarHBondContact OD2-NH2 3.47Å | ||
| 149 | G | 94.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 130.7 | 163 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E106 L151 V152 R153 | E106-G149 WeakPolarHBondContact OE2-CA 3.42Å; G149-L151 PolarHBondContact O-N 2.84Å; G149-V152 PolarHBondContact O-N 3.27Å; G149-R153 WeakPolarHBondContact O-CB 3.46Å; G149-R153 VanDerWaalsContact O-CG 3.29Å; G149-R153 WeakPolarHBondContact O-CG 3.33Å; G149-R153 PolarHBondContact O-N 3Å |
| 150 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -55.2 | -50.5 | -175.2 | -71.8 | 171.1 | 0 | 0 | 0 | 111.5 | E106 A108 I128 P130 L141 V152 Y154 L162 | E106-L150 HydrophobicContact CB-CD1 3.63Å; E106-L150 HydrophobicContact CB-CG 3.86Å; E106-L150 WeakPolarHBondContact OE2-CB 3.27Å; E106-L150 PolarHBondContact OE2-N 3.26Å; A108-L150 VanDerWaalsContact C-CD1 3.4Å; I128-L150 HydrophobicContact CG2-CB 4.35Å; I128-L150 HydrophobicContact CG2-CD2 4.08Å; P130-L150 HydrophobicContact CG-CD2 4.18Å; L141-L150 HydrophobicContact CD1-CD2 3.67Å; L141-L150 HydrophobicContact CD1-CG 4.18Å; L150-V152 PolarHBondContact O-N 2.84Å; L150-Y154 WeakPolarHBondContact O-CB 3.45Å; L150-Y154 PolarHBondContact O-N 3.14Å; L150-L162 HydrophobicContact CD2-CD2 3.49Å; L150-L162 VanDerWaalsContact CD2-CD2 3.49Å |
| 151 | L | 96.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 83.2 Ų | 83.2 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69 | -35.2 | -177.1 | -63.2 | -176.7 | 0 | 0 | 0 | 112.6 | K83 I111 G149 Q155 | K83-L151 HydrophobicContact CB-CD1 4.05Å; I111-L151 HydrophobicContact CD1-CD2 3.92Å; I111-L151 HydrophobicContact CG1-CD2 3.66Å; G149-L151 PolarHBondContact O-N 2.84Å; L151-Q155 WeakPolarHBondContact O-CB 3.49Å; L151-Q155 WeakPolarHBondContact O-CG 3.25Å; L151-Q155 PolarHBondContact O-N 2.9Å; L151-Q155 PolarHBondContact O-NE2 3.22Å |
| 152 | V | 95.6 | Very high | 92.3 | Very high | 37 Ų | 37 | 83.7 Ų | 83.7 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -73.2 | -44 | 179.4 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | C147 G149 L150 Y154 Q155 N156 | C147-V152 VanDerWaalsContact O-CG1 3.29Å; C147-V152 WeakPolarHBondContact O-CG1 3.47Å; G149-V152 PolarHBondContact O-N 3.27Å; L150-V152 PolarHBondContact O-N 2.84Å; V152-Y154 PolarHBondContact O-N 3.11Å; V152-Q155 PolarHBondContact O-N 3.38Å; V152-N156 WeakPolarHBondContact O-CB 3.42Å; V152-N156 PolarHBondContact O-N 3.02Å; V152-N156 PolarHBondContact O-ND2 2.8Å |
| 153 | R | 96.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 81.1 Ų | 81.1 | 25% | 0.249 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.5 | -73.5 | -175.3 | -170.4 | -157.1 | 1.8 | 111.5 | D148 G149 N156 R157 R158 L162 | D148-R153 IonicContact OD1-CZ 2.72Å; D148-R153 IonicContact OD1-NE 3.09Å; D148-R153 PolarHBondContact OD1-NE 3.5Å; D148-R153 IonicContact OD1-NH2 3.39Å; D148-R153 PolarHBondContact OD1-NH2 3.33Å; D148-R153 VanDerWaalsContact OD1-NH2 3.11Å; D148-R153 IonicContact OD2-CZ 3.38Å; D148-R153 IonicContact OD2-NE 2.66Å; D148-R153 IonicContact OD2-NH2 3.73Å; D148-R153 PolarHBondContact OD2-NH2 3.47Å; G149-R153 WeakPolarHBondContact O-CB 3.46Å; G149-R153 VanDerWaalsContact O-CG 3.29Å; G149-R153 WeakPolarHBondContact O-CG 3.33Å; G149-R153 PolarHBondContact O-N 3Å; R153-N156 CarbonylContact O-C 3.49Å; R153-N156 PolarHBondContact O-N 3.31Å; R153-R157 PolarHBondContact O-N 3.45Å; R153-R157 VanDerWaalsContact O-N 3.12Å; R153-R158 HydrophobicContact CB-CB 4.21Å; R153-R158 HydrophobicContact CG-CB 4.49Å; R153-R158 PolarHBondContact O-N 2.95Å; R153-L162 HydrophobicContact CB-CD1 3.77Å |
| 154 | Y | 96.2 | Very high | 92.9 | Very high | 58 Ų | 58 | 83.1 Ų | 83.1 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 175.7 | 174.2 | -107.7 | 0 | 0 | 0 | 112.5 | I111 T126 I128 L150 V152 N156 R157 M159 E164 | I111-Y154 HydrophobicContact CD1-CD1 3.49Å; I111-Y154 VanDerWaalsContact CD1-CD1 3.49Å; I111-Y154 HydrophobicContact CD1-CE1 3.52Å; T126-Y154 HydrophobicContact CG2-CE1 4.44Å; T126-Y154 HydrophobicContact CG2-CE2 4.43Å; I128-Y154 HydrophobicContact CD1-CD1 4.44Å; I128-Y154 HydrophobicContact CD1-CD2 3.47Å; I128-Y154 VanDerWaalsContact CD1-CD2 3.47Å; I128-Y154 HydrophobicContact CD1-CE2 3.84Å; I128-Y154 HydrophobicContact CD1-CG 3.81Å; I128-Y154 HydrophobicContact CG1-CD1 4.42Å; I128-Y154 HydrophobicContact CG1-CD2 4.11Å; I128-Y154 HydrophobicContact CG1-CG 3.92Å; L150-Y154 WeakPolarHBondContact O-CB 3.45Å; L150-Y154 PolarHBondContact O-N 3.14Å; V152-Y154 PolarHBondContact O-N 3.11Å; Y154-N156 VanDerWaalsContact C-N 3.25Å; Y154-N156 PolarHBondContact O-N 2.71Å; Y154-R157 PolarHBondContact O-N 2.77Å; Y154-M159 HydrophobicContact CD2-CE 4.22Å; Y154-M159 HydrophobicContact CD2-SD 3.83Å; Y154-E164 HydrophobicContact CE2-CG 4.26Å; Y154-E164 WeakPolarHBondContact CE2-OE1 3.14Å; Y154-E164 PolarHBondContact OH-OE1 3Å |
| 155 | Q | 94.4 | Very high | 93.7 | Very high | 99 Ų | 99 | 73.7 Ų | 73.7 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 177.5 | -75.6 | 165.1 | 25.2 | 0 | 0 | 112.6 | L151 V152 R157 | L151-Q155 WeakPolarHBondContact O-CB 3.49Å; L151-Q155 WeakPolarHBondContact O-CG 3.25Å; L151-Q155 PolarHBondContact O-N 2.9Å; L151-Q155 PolarHBondContact O-NE2 3.22Å; V152-Q155 PolarHBondContact O-N 3.38Å; Q155-R157 PolarHBondContact O-N 3.45Å |
| 156 | N | 95.3 | Very high | 94.3 | Very high | 93 Ų | 93 | 70.2 Ų | 70.2 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 8.9 | 176.9 | -65.6 | -24.8 | 0 | 0 | 0 | 113.4 | V152 R153 Y154 R158 | V152-N156 WeakPolarHBondContact O-CB 3.42Å; V152-N156 PolarHBondContact O-N 3.02Å; V152-N156 PolarHBondContact O-ND2 2.8Å; R153-N156 CarbonylContact O-C 3.49Å; R153-N156 PolarHBondContact O-N 3.31Å; Y154-N156 VanDerWaalsContact C-N 3.25Å; Y154-N156 PolarHBondContact O-N 2.71Å; N156-R158 HydrophobicContact CB-CG 4.26Å; N156-R158 PolarHBondContact O-N 3.4Å; N156-R158 VanDerWaalsContact O-N 3.14Å |
| 157 | R | 95 | Very high | 95 | Very high | 225 Ų | 225 | 62.9 Ų | 62.9 | 85% | 0.849 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 25 | -177.1 | -54.2 | -172.4 | 178.6 | -152.4 | 0.1 | 114.6 | R153 Y154 Q155 M159 | R153-R157 PolarHBondContact O-N 3.45Å; R153-R157 VanDerWaalsContact O-N 3.12Å; Y154-R157 PolarHBondContact O-N 2.77Å; Q155-R157 PolarHBondContact O-N 3.45Å; R157-M159 PolarHBondContact O-N 3.12Å |
| 158 | R | 94.9 | Very high | 95.5 | Very high | 116 Ų | 116 | 60.4 Ų | 60.4 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | trans | -86.8 | 87.8 | 173.9 | -63.7 | -170.8 | -61.2 | -143.8 | 1.8 | 109.3 | C147 R153 N156 L162 | C147-R158 PolarHBondContact O-NH2 3.05Å; R153-R158 HydrophobicContact CB-CB 4.21Å; R153-R158 HydrophobicContact CG-CB 4.49Å; R153-R158 PolarHBondContact O-N 2.95Å; N156-R158 HydrophobicContact CB-CG 4.26Å; N156-R158 PolarHBondContact O-N 3.4Å; N156-R158 VanDerWaalsContact O-N 3.14Å; R158-L162 VanDerWaalsContact O-CD1 3.3Å; R158-L162 WeakPolarHBondContact O-CD1 3.43Å | ||
| 159 | M | 94.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 64 Ų | 64 | 30% | 0.3 | 30% | 0.298 | S | S | . | . | trans | -96.3 | 6.6 | -173.9 | -61.5 | -53.4 | -67.2 | 0 | 0 | 114.5 | Y154 R157 N161 L162 E164 | Y154-M159 HydrophobicContact CD2-CE 4.22Å; Y154-M159 HydrophobicContact CD2-SD 3.83Å; R157-M159 PolarHBondContact O-N 3.12Å; M159-N161 PolarHBondContact O-N 3.05Å; M159-L162 HydrophobicContact CE-CB 4.01Å; M159-L162 PolarHBondContact O-N 2.73Å; M159-L162 VanDerWaalsContact O-N 3.15Å; M159-L162 HydrophobicContact SD-CD1 4.2Å; M159-E164 HydrophobicContact CE-CB 3.69Å | ||
| 160 | E | 93.2 | Very high | 95.1 | Very high | 162 Ų | 162 | 65.1 Ų | 65.1 | 76% | 0.757 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 127.3 | 174.8 | -67.3 | 175.1 | -168.4 | 0 | 0 | 111 | L162 | E160-L162 PolarHBondContact O-N 2.72Š|
| 161 | N | 94 | Very high | 94.6 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 32.3 | -176.5 | -58.1 | -46.3 | 0 | 0 | 0 | 113.7 | G131 V139 M159 | G131-N161 WeakPolarHBondContact CA-O 3.44Å; G131-N161 PolarHBondContact N-O 2.99Å; V139-N161 HydrophobicContact CG1-CB 4.33Å; M159-N161 PolarHBondContact O-N 3.05Å |
| 162 | L | 97.5 | Very high | 94 | Very high | 19 Ų | 19 | 75.5 Ų | 75.5 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 150.8 | 172.3 | -59.3 | -173.1 | 0 | 0 | 0 | 110.5 | I128 L141 L150 R153 R158 M159 E160 | I128-L162 HydrophobicContact CG2-CB 4.36Å; I128-L162 HydrophobicContact CG2-CD1 4.11Å; L141-L162 HydrophobicContact CD1-CD2 3.76Å; L150-L162 HydrophobicContact CD2-CD2 3.49Å; L150-L162 VanDerWaalsContact CD2-CD2 3.49Å; R153-L162 HydrophobicContact CB-CD1 3.77Å; R158-L162 VanDerWaalsContact O-CD1 3.3Å; R158-L162 WeakPolarHBondContact O-CD1 3.43Å; M159-L162 HydrophobicContact CE-CB 4.01Å; M159-L162 PolarHBondContact O-N 2.73Å; M159-L162 VanDerWaalsContact O-N 3.15Å; M159-L162 HydrophobicContact SD-CD1 4.2Å; E160-L162 PolarHBondContact O-N 2.72Å |
| 163 | I | 98 | Very high | 93.4 | Very high | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.185 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.4 | 170.5 | -59.8 | 168.8 | 0 | 0 | 0 | 107.5 | I128 I129 M132 L165 P225 | I128-I163 WeakPolarHBondContact CA-O 3.35Å; I129-I163 HydrophobicContact CD1-CB 4.35Å; I129-I163 HydrophobicContact CD1-CG2 4.46Å; I129-I163 HydrophobicContact CG1-CB 3.78Å; I129-I163 HydrophobicContact CG1-CG2 4.31Å; I129-I163 PolarHBondContact N-O 3.2Å; I129-I163 PolarHBondContact O-N 3.25Å; M132-I163 HydrophobicContact CG-CD1 4.04Å; I163-L165 HydrophobicContact CG2-CD2 3.8Å; I163-L165 HydrophobicContact CG2-CG 4.05Å; I163-P225 HydrophobicContact CD1-CB 4.39Å; I163-P225 HydrophobicContact CD1-CG 3.86Å |
| 164 | E | 98.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 81.1 Ų | 81.1 | 24% | 0.243 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.5 | 175 | -178.8 | -178.6 | -171.7 | 0 | 0 | 109.6 | T126 I128 Y154 M159 H166 H199 | T126-E164 HydrophobicContact CG2-CG 4.24Å; I128-E164 HydrophobicContact CD1-CB 4.03Å; I128-E164 HydrophobicContact CD1-CG 3.82Å; Y154-E164 HydrophobicContact CE2-CG 4.26Å; Y154-E164 WeakPolarHBondContact CE2-OE1 3.14Å; Y154-E164 PolarHBondContact OH-OE1 3Å; M159-E164 HydrophobicContact CE-CB 3.69Å; E164-H166 WeakPolarHBondContact CG-NE2 3.21Å; E164-H166 IonicContact OE1-CE1 3.34Å; E164-H166 PolarHBondContact OE1-CE1 3.02Å; E164-H166 IonicContact OE1-NE2 3.89Å; E164-H166 PolarHBondContact OE1-NE2 3.48Å; E164-H166 VanDerWaalsContact OE1-NE2 3.13Å; E164-H199 PolarHBondContact O-CD2 3.01Å |
| 165 | L | 98.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 87.1 Ų | 87.1 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.8 | 179.2 | -54.8 | 173.5 | 0 | 0 | 0 | 109.3 | T126 V127 I129 I163 I197 V198 H199 V207 M226 | T126-L165 CarbonylContact C-O 3.57Å; T126-L165 WeakPolarHBondContact CA-O 3.13Å; V127-L165 HydrophobicContact CB-CB 4.23Å; V127-L165 PolarHBondContact N-O 2.96Å; V127-L165 PolarHBondContact O-N 3.22Å; I129-L165 HydrophobicContact CD1-CD1 3.88Å; I129-L165 HydrophobicContact CG1-CD1 4.47Å; I163-L165 HydrophobicContact CG2-CD2 3.8Å; I163-L165 HydrophobicContact CG2-CG 4.05Å; L165-I197 HydrophobicContact CB-CG2 3.52Å; L165-I197 HydrophobicContact CD1-CG2 3.97Å; L165-I197 HydrophobicContact CG-CG2 4.32Å; L165-V198 VanDerWaalsContact CA-O 3.31Å; L165-V198 WeakPolarHBondContact CA-O 3.45Å; L165-H199 HydrophobicContact CD2-CB 3.78Å; L165-V207 HydrophobicContact CD1-CB 4.4Å; L165-V207 HydrophobicContact CD1-CG1 3.95Å; L165-V207 HydrophobicContact CD1-CG2 4.46Å; L165-V207 HydrophobicContact CD2-CG2 4Å; L165-M226 HydrophobicContact CD1-CE 4.3Å |
| 166 | H | 97 | Very high | 91.7 | Very high | 21 Ų | 21 | 86 Ų | 86 | 10% | 0.097 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 162.3 | 178.4 | -52.8 | -87.1 | 0 | 0 | 0 | 111.8 | M125 T126 E164 K168 I197 V198 N200 | M125-H166 CarbonylContact O-C 3.59Å; M125-H166 VanDerWaalsContact O-CA 3.27Å; M125-H166 WeakPolarHBondContact O-CA 3.35Å; T126-H166 PolarHBondContact OG1-ND1 2.81Å; E164-H166 WeakPolarHBondContact CG-NE2 3.21Å; E164-H166 IonicContact OE1-CE1 3.34Å; E164-H166 PolarHBondContact OE1-CE1 3.02Å; E164-H166 IonicContact OE1-NE2 3.89Å; E164-H166 PolarHBondContact OE1-NE2 3.48Å; E164-H166 VanDerWaalsContact OE1-NE2 3.13Å; H166-K168 PolarHBondContact O-N 2.74Å; H166-I197 CarbonylContact O-C 3.57Å; H166-I197 VanDerWaalsContact O-CA 3.31Å; H166-I197 WeakPolarHBondContact O-CA 3.28Å; H166-V198 PolarHBondContact N-O 3.39Å; H166-V198 PolarHBondContact O-N 3.12Å; H166-N200 VanDerWaalsContact CD2-CG 3.46Å; H166-N200 PolarHBondContact CD2-ND2 3.49Å; H166-N200 PolarHBondContact CD2-OD1 3.34Å; H166-N200 PolarHBondContact NE2-ND2 3.32Å |
| 167 | N | 94.7 | Very high | 91.1 | Very high | 26 Ų | 26 | 84.8 Ų | 84.8 | 14% | 0.139 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 134.3 | 167.8 | 70.2 | -68.4 | 0 | 0 | 0 | 111 | R123 M125 T169 Q196 I197 | R123-N167 PolarHBondContact O-ND2 2.84Å; M125-N167 HydrophobicContact CB-CB 4.11Å; M125-N167 PolarHBondContact N-OD1 2.78Å; M125-N167 PolarHBondContact O-N 2.86Å; M125-N167 PolarHBondContact O-OD1 3.15Å; N167-T169 PolarHBondContact O-N 3.36Å; N167-Q196 CarbonylContact C-O 3.44Å; N167-Q196 WeakPolarHBondContact CA-O 3.27Å; N167-I197 HydrophobicContact CB-CD1 4.27Å |
| 168 | K | 94.3 | Very high | 90.3 | Very high | 44 Ų | 44 | 76.2 Ų | 76.2 | 19% | 0.191 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 130.6 | 173 | -167.3 | 170.3 | -174.7 | 160.4 | 0 | 109.1 | H166 L181 Q196 V198 L203 D204 I206 | H166-K168 PolarHBondContact O-N 2.74Å; K168-L181 HydrophobicContact CB-CD2 4.14Å; K168-L181 HydrophobicContact CD-CD2 4.34Å; K168-L181 HydrophobicContact CG-CD2 4.1Å; K168-Q196 HydrophobicContact CB-CB 4.01Å; K168-Q196 PolarHBondContact N-O 3.11Å; K168-V198 HydrophobicContact CB-CG1 4.08Å; K168-V198 HydrophobicContact CB-CG2 4.05Å; K168-V198 HydrophobicContact CD-CG1 4.17Å; K168-V198 HydrophobicContact CG-CG1 4.41Å; K168-V198 HydrophobicContact CG-CG2 4.45Å; K168-L203 VanDerWaalsContact CE-O 3.3Å; K168-L203 WeakPolarHBondContact CE-O 3.4Å; K168-L203 PolarHBondContact NZ-O 3.15Å; K168-D204 IonicContact NZ-OD1 3.5Å; K168-I206 HydrophobicContact CD-CD1 4.02Å |
| 169 | T | 90.1 | Very high | 89.6 | Confident | 103 Ų | 103 | 76 Ų | 76 | 63% | 0.632 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 128.1 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | N167 | N167-T169 PolarHBondContact O-N 3.36Š|
| 170 | P | 87.1 | Confident | 89 | Confident | 26 Ų | 26 | 75.7 Ų | 75.7 | 17% | 0.169 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 141.6 | 175.9 | -26.3 | 36.1 | 0 | 0 | 0 | 112.6 | H179 V180 L181 | P170-H179 HydrophobicContact CB-CB 3.74Å; P170-H179 PolarHBondContact O-ND1 3.3Å; P170-V180 WeakPolarHBondContact CA-O 3.43Å; P170-L181 HydrophobicContact CB-CG 4.32Å; P170-L181 HydrophobicContact CG-CG 4.24Å |
| 171 | V | 85.8 | Confident | 88.8 | Confident | 100 Ų | 100 | 69.4 Ų | 69.4 | 61% | 0.606 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 142.6 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | N173 H179 V180 | V171-N173 PolarHBondContact O-N 2.9Å; V171-H179 WeakPolarHBondContact O-CA 3.3Å; V171-V180 PolarHBondContact N-O 3.15Å; V171-V180 PolarHBondContact O-N 3.28Å |
| 172 | W | 83.6 | Confident | 88.5 | Confident | 136 Ų | 136 | 69.7 Ų | 69.7 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.9 | 173.3 | -178.4 | -101.9 | 0 | 0 | 0 | 109.9 | A177 H179 | W172-A177 VanDerWaalsContact CH2-O 3.26Å; W172-A177 WeakPolarHBondContact CH2-O 3.23Å; W172-A177 HydrophobicContact CZ2-CB 4.32Å; W172-H179 AromaticContact CE3-CD2 3.78Å; W172-H179 AromaticContact CE3-NE2 3.76Å |
| 173 | N | 82.2 | Confident | 88.3 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.5 | 170.9 | 179.6 | -25 | 0 | 0 | 0 | 108.8 | V171 E175 T176 A177 S178 V180 | V171-N173 PolarHBondContact O-N 2.9Å; N173-E175 WeakPolarHBondContact OD1-CB 3.35Å; N173-E175 PolarHBondContact OD1-N 2.7Å; N173-T176 WeakPolarHBondContact CB-OG1 3.42Å; N173-T176 PolarHBondContact OD1-N 2.71Å; N173-A177 WeakPolarHBondContact O-CA 3.25Å; N173-A177 PolarHBondContact O-N 3.25Å; N173-S178 PolarHBondContact N-O 2.91Å; N173-S178 PolarHBondContact O-N 2.87Å; N173-S178 VanDerWaalsContact O-N 3.16Å; N173-V180 HydrophobicContact CB-CG1 4.24Å; N173-V180 HydrophobicContact CB-CG2 3.54Å |
| 174 | E | 87.3 | Confident | 87.9 | Confident | 172 Ų | 172 | 74.2 Ų | 74.2 | 80% | 0.804 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -36.4 | -179.2 | -65.6 | -173.5 | 168.9 | 0 | 0 | 112.6 | T176 A177 | E174-T176 PolarHBondContact O-N 2.93Å; E174-A177 PolarHBondContact O-N 2.8Å |
| 175 | E | 83.3 | Confident | 87.5 | Confident | 185 Ų | 185 | 74.8 Ų | 74.8 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -39.7 | -179.2 | -58.9 | 179.7 | 168.7 | 0 | 0 | 111.7 | N173 | N173-E175 WeakPolarHBondContact OD1-CB 3.35Å; N173-E175 PolarHBondContact OD1-N 2.7Å |
| 176 | T | 80.9 | Confident | 87.1 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 46% | 0.46 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 2.7 | 179.8 | 63.8 | 0 | 0 | 0 | 0 | 113.2 | N173 E174 S178 | N173-T176 WeakPolarHBondContact CB-OG1 3.42Å; N173-T176 PolarHBondContact OD1-N 2.71Å; E174-T176 PolarHBondContact O-N 2.93Å; T176-S178 WeakPolarHBondContact CB-OG 3.39Å; T176-S178 WeakPolarHBondContact O-CB 3.45Å; T176-S178 PolarHBondContact O-N 2.79Å; T176-S178 VanDerWaalsContact O-N 3.09Å; T176-S178 PolarHBondContact O-OG 3.01Å; T176-S178 PolarHBondContact OG1-OG 2.79Å |
| 177 | A | 82.1 | Confident | 86.9 | Confident | 68 Ų | 68 | 77.2 Ų | 77.2 | 56% | 0.562 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 41.8 | 43.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | W172 N173 E174 | W172-A177 VanDerWaalsContact CH2-O 3.26Å; W172-A177 WeakPolarHBondContact CH2-O 3.23Å; W172-A177 HydrophobicContact CZ2-CB 4.32Å; N173-A177 WeakPolarHBondContact O-CA 3.25Å; N173-A177 PolarHBondContact O-N 3.25Å; E174-A177 PolarHBondContact O-N 2.8Å |
| 178 | S | 79.1 | Confident | 86.6 | Confident | 45 Ų | 45 | 80.7 Ų | 80.7 | 32% | 0.315 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 156.9 | -172.3 | 46.5 | 0 | 0 | 0 | 0 | 113.2 | N173 T176 V180 | N173-S178 PolarHBondContact N-O 2.91Å; N173-S178 PolarHBondContact O-N 2.87Å; N173-S178 VanDerWaalsContact O-N 3.16Å; T176-S178 WeakPolarHBondContact CB-OG 3.39Å; T176-S178 WeakPolarHBondContact O-CB 3.45Å; T176-S178 PolarHBondContact O-N 2.79Å; T176-S178 VanDerWaalsContact O-N 3.09Å; T176-S178 PolarHBondContact O-OG 3.01Å; T176-S178 PolarHBondContact OG1-OG 2.79Å; S178-V180 PolarHBondContact O-N 3.23Å |
| 179 | H | 80.1 | Confident | 86.2 | Confident | 112 Ų | 112 | 82 Ų | 82 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 116.4 | 173.6 | -84.8 | -73.2 | 0 | 0 | 0 | 110.7 | P170 V171 W172 | P170-H179 HydrophobicContact CB-CB 3.74Å; P170-H179 PolarHBondContact O-ND1 3.3Å; V171-H179 WeakPolarHBondContact O-CA 3.3Å; W172-H179 AromaticContact CE3-CD2 3.78Å; W172-H179 AromaticContact CE3-NE2 3.76Å |
| 180 | V | 83 | Confident | 85.9 | Confident | 54 Ų | 54 | 81.7 Ų | 81.7 | 33% | 0.327 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 156.4 | -175.9 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | P170 V171 N173 S178 | P170-V180 WeakPolarHBondContact CA-O 3.43Å; V171-V180 PolarHBondContact N-O 3.15Å; V171-V180 PolarHBondContact O-N 3.28Å; N173-V180 HydrophobicContact CB-CG1 4.24Å; N173-V180 HydrophobicContact CB-CG2 3.54Å; S178-V180 PolarHBondContact O-N 3.23Å |
| 181 | L | 87.7 | Confident | 85.7 | Confident | 29 Ų | 29 | 82 Ų | 82 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | trans | -116.6 | 139.5 | 166.4 | -73.5 | 171.4 | 0 | 0 | 0 | 107.9 | K168 P170 F183 | K168-L181 HydrophobicContact CB-CD2 4.14Å; K168-L181 HydrophobicContact CD-CD2 4.34Å; K168-L181 HydrophobicContact CG-CD2 4.1Å; P170-L181 HydrophobicContact CB-CG 4.32Å; P170-L181 HydrophobicContact CG-CG 4.24Å; L181-F183 HydrophobicContact CB-CD2 4.12Å; L181-F183 HydrophobicContact CB-CE2 3.45Å; L181-F183 VanDerWaalsContact CB-CE2 3.45Å; L181-F183 HydrophobicContact CB-CZ 3.77Å; L181-F183 HydrophobicContact CD1-CE2 4.41Å; L181-F183 HydrophobicContact CD1-CZ 3.94Å; L181-F183 WeakPolarHBondContact O-CD2 3.35Å; L181-F183 PolarHBondContact O-N 3.23Å | ||
| 182 | N | 89 | Confident | 85.5 | Confident | 111 Ų | 111 | 83.2 Ų | 83.2 | 59% | 0.594 | 47% | 0.47 | S | S | * | . | trans | -84.3 | 108.6 | 175.4 | 179.5 | 13.5 | 0 | 0 | 0 | 110.1 | N184 Q196 | N182-N184 PolarHBondContact ND2-OD1 2.82Å; N182-N184 PolarHBondContact OD1-N 3.11Å; N182-N184 PolarHBondContact OD1-OD1 2.74Å; N182-Q196 PolarHBondContact O-NE2 2.61Å | ||
| 183 | F | 91.9 | Very high | 85.6 | Confident | 20 Ų | 20 | 79.5 Ų | 79.5 | 9% | 0.088 | 46% | 0.458 | C | S | . | . | trans | -94.8 | 8.7 | 177.8 | -66 | -90.5 | 0 | 0 | 0 | 113.4 | L181 G185 R186 V187 N194 Q196 Q209 | L181-F183 HydrophobicContact CB-CD2 4.12Å; L181-F183 HydrophobicContact CB-CE2 3.45Å; L181-F183 VanDerWaalsContact CB-CE2 3.45Å; L181-F183 HydrophobicContact CB-CZ 3.77Å; L181-F183 HydrophobicContact CD1-CE2 4.41Å; L181-F183 HydrophobicContact CD1-CZ 3.94Å; L181-F183 WeakPolarHBondContact O-CD2 3.35Å; L181-F183 PolarHBondContact O-N 3.23Å; F183-G185 PolarHBondContact O-N 3.07Å; F183-R186 VanDerWaalsContact O-CB 3.23Å; F183-R186 WeakPolarHBondContact O-CB 3.49Å; F183-R186 WeakPolarHBondContact O-CG 3.29Å; F183-R186 PolarHBondContact O-N 3.35Å; F183-V187 HydrophobicContact CB-CB 3.63Å; F183-V187 HydrophobicContact CB-CG2 3.75Å; F183-V187 HydrophobicContact CD1-CB 3.86Å; F183-V187 HydrophobicContact CD1-CG2 3.29Å; F183-V187 HydrophobicContact CD2-CB 3.92Å; F183-V187 HydrophobicContact CD2-CG1 4.28Å; F183-V187 HydrophobicContact CD2-CG2 4.27Å; F183-V187 HydrophobicContact CE1-CG2 3.95Å; F183-V187 HydrophobicContact CG-CB 3.55Å; F183-V187 HydrophobicContact CG-CG1 4.34Å; F183-V187 HydrophobicContact CG-CG2 3.53Å; F183-N194 HydrophobicContact CE1-CB 4.47Å; F183-N194 HydrophobicContact CE2-CB 4.11Å; F183-N194 HydrophobicContact CZ-CB 3.72Å; F183-Q196 HydrophobicContact CD1-CG 4.44Å; F183-Q196 HydrophobicContact CE1-CG 4Å; F183-Q209 HydrophobicContact CD1-CG 3.39Å; F183-Q209 HydrophobicContact CE1-CG 3.74Å; F183-Q209 PolarHBondContact O-NE2 2.93Å | ||
| 184 | N | 89.2 | Confident | 86 | Confident | 130 Ų | 130 | 78.7 Ų | 78.7 | 70% | 0.695 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 42.6 | -178.1 | -61.8 | -39 | 0 | 0 | 0 | 112.9 | N182 R186 | N182-N184 PolarHBondContact ND2-OD1 2.82Å; N182-N184 PolarHBondContact OD1-N 3.11Å; N182-N184 PolarHBondContact OD1-OD1 2.74Å; N184-R186 PolarHBondContact O-N 2.74Å |
| 185 | G | 89.6 | Confident | 86.4 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 67% | 0.67 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -1.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F183 V187 | F183-G185 PolarHBondContact O-N 3.07Å; G185-V187 VanDerWaalsContact C-N 3.29Å; G185-V187 PolarHBondContact O-N 3.16Å |
| 186 | R | 92.1 | Very high | 87.1 | Confident | 51 Ų | 51 | 62.8 Ų | 62.8 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -72.1 | -20.8 | 178.2 | -65.1 | -69.5 | -67 | 153.2 | -2.9 | 114 | D34 F183 N184 I213 T219 D221 | D34-R186 IonicContact OD2-CZ 2.72Å; D34-R186 VanDerWaalsContact OD2-CZ 3.24Å; D34-R186 IonicContact OD2-NH1 3.85Å; D34-R186 PolarHBondContact OD2-NH1 3.3Å; D34-R186 IonicContact OD2-NH2 3.85Å; D34-R186 PolarHBondContact OD2-NH2 3.16Å; F183-R186 VanDerWaalsContact O-CB 3.23Å; F183-R186 WeakPolarHBondContact O-CB 3.49Å; F183-R186 WeakPolarHBondContact O-CG 3.29Å; F183-R186 PolarHBondContact O-N 3.35Å; N184-R186 PolarHBondContact O-N 2.74Å; R186-I213 WeakPolarHBondContact O-CG2 3.5Å; R186-T219 WeakPolarHBondContact O-CG2 3.5Å; R186-T219 PolarHBondContact O-OG1 2.85Å; R186-D221 IonicContact CZ-OD1 2.79Å; R186-D221 IonicContact CZ-OD2 3.61Å; R186-D221 IonicContact NE-OD1 3.53Å; R186-D221 IonicContact NE-OD2 3.59Å; R186-D221 PolarHBondContact NE-OD2 3.47Å; R186-D221 IonicContact NH2-OD1 2.7Å; R186-D221 PolarHBondContact NH2-OD1 3.29Å; R186-D221 IonicContact NH2-OD2 3.59Å |
| 187 | V | 91.1 | Very high | 87.9 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 13% | 0.127 | 36% | 0.357 | C | S | . | . | trans | -125.5 | 126.4 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | F183 G185 N194 R212 | F183-V187 HydrophobicContact CB-CB 3.63Å; F183-V187 HydrophobicContact CB-CG2 3.75Å; F183-V187 HydrophobicContact CD1-CB 3.86Å; F183-V187 HydrophobicContact CD1-CG2 3.29Å; F183-V187 HydrophobicContact CD2-CB 3.92Å; F183-V187 HydrophobicContact CD2-CG1 4.28Å; F183-V187 HydrophobicContact CD2-CG2 4.27Å; F183-V187 HydrophobicContact CE1-CG2 3.95Å; F183-V187 HydrophobicContact CG-CB 3.55Å; F183-V187 HydrophobicContact CG-CG1 4.34Å; F183-V187 HydrophobicContact CG-CG2 3.53Å; G185-V187 VanDerWaalsContact C-N 3.29Å; G185-V187 PolarHBondContact O-N 3.16Å; V187-N194 HydrophobicContact CG1-CB 4.46Å; V187-N194 WeakPolarHBondContact CG1-ND2 3.35Å; V187-R212 WeakPolarHBondContact CG1-O 3.33Å | ||
| 188 | T | 89.4 | Confident | 88.6 | Confident | 100 Ų | 100 | 56 Ų | 56 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | trans | -121.4 | -11.7 | -169.8 | 56 | 0 | 0 | 0 | 0 | 113 | R212 I213 | T188-R212 PolarHBondContact N-O 2.7Å; T188-I213 WeakPolarHBondContact OG1-CA 3.19Å; T188-I213 PolarHBondContact OG1-O 3.12Å | ||
| 189 | Q | 86.1 | Confident | 89.5 | Confident | 70 Ų | 70 | 56.6 Ų | 56.6 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -119.6 | 135.6 | 177.8 | -64 | -164.3 | 4.3 | 0 | 0 | 111.7 | S191 N194 R212 I213 | Q189-S191 PolarHBondContact O-N 3.25Å; Q189-N194 PolarHBondContact O-ND2 3.49Å; Q189-R212 HydrophobicContact CB-CB 4.26Å; Q189-R212 HydrophobicContact CB-CG 4.25Å; Q189-R212 PolarHBondContact N-O 2.85Å; Q189-R212 VanDerWaalsContact N-O 3.1Å; Q189-I213 PolarHBondContact NE2-O 3.23Å |
| 190 | A | 83.3 | Confident | 90.2 | Very high | 98 Ų | 98 | 55.8 Ų | 55.8 | 81% | 0.81 | 33% | 0.328 | S | S | * | . | trans | -62.8 | 133.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 191 | S | 83.8 | Confident | 90.7 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | trans | -160.8 | 144.4 | 175.6 | -165.9 | 0 | 0 | 0 | 0 | 110.7 | Q189 K193 N194 | Q189-S191 PolarHBondContact O-N 3.25Å; S191-K193 PolarHBondContact O-N 3.37Å; S191-K193 PolarHBondContact OG-N 3.45Å; S191-N194 WeakPolarHBondContact CB-OD1 3.27Å; S191-N194 PolarHBondContact N-ND2 2.99Å; S191-N194 WeakPolarHBondContact O-CB 3.35Å; S191-N194 PolarHBondContact O-N 3.06Å | ||
| 192 | V | 80.4 | Confident | 91.1 | Very high | 125 Ų | 125 | 64.8 Ų | 64.8 | 76% | 0.758 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9.8 | 167.7 | -61 | 0 | 0 | 0 | 0 | 113.2 | ||
| 193 | K | 85.5 | Confident | 91.4 | Very high | 57 Ų | 57 | 63.8 Ų | 63.8 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.8 | 175.1 | -60.4 | -177.8 | -179.2 | 66.7 | 0 | 112.9 | S191 F195 F210 F218 F239 | S191-K193 PolarHBondContact O-N 3.37Å; S191-K193 PolarHBondContact OG-N 3.45Å; K193-F195 WeakPolarHBondContact O-CD1 3.43Å; K193-F195 WeakPolarHBondContact O-CE1 3.45Å; K193-F195 PolarHBondContact O-N 2.79Å; K193-F210 HydrophobicContact CB-CE1 4.32Å; K193-F210 VanDerWaalsContact O-CD1 3.27Å; K193-F210 WeakPolarHBondContact O-CD1 3.4Å; K193-F218 HydrophobicContact CD-CE1 4.44Å; K193-F239 HydrophobicContact CD-CD1 3.97Å; K193-F239 HydrophobicContact CD-CE1 4Å |
| 194 | N | 91.9 | Very high | 91.6 | Very high | 31 Ų | 31 | 69.2 Ų | 69.2 | 17% | 0.166 | 39% | 0.389 | C | S | . | . | trans | -81.2 | 119.3 | 177 | -62.4 | -10 | 0 | 0 | 0 | 109 | F183 V187 Q189 S191 F210 G211 R212 | F183-N194 HydrophobicContact CE1-CB 4.47Å; F183-N194 HydrophobicContact CE2-CB 4.11Å; F183-N194 HydrophobicContact CZ-CB 3.72Å; V187-N194 HydrophobicContact CG1-CB 4.46Å; V187-N194 WeakPolarHBondContact CG1-ND2 3.35Å; Q189-N194 PolarHBondContact O-ND2 3.49Å; S191-N194 WeakPolarHBondContact CB-OD1 3.27Å; S191-N194 PolarHBondContact N-ND2 2.99Å; S191-N194 WeakPolarHBondContact O-CB 3.35Å; S191-N194 PolarHBondContact O-N 3.06Å; N194-F210 WeakPolarHBondContact CA-O 3.45Å; N194-G211 WeakPolarHBondContact OD1-CA 3.49Å; N194-R212 PolarHBondContact OD1-N 3Å | ||
| 195 | F | 94.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 66.8 Ų | 66.8 | 8% | 0.075 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 157 | 178.2 | 60.6 | -94.7 | 0 | 0 | 0 | 111.8 | M125 K193 I197 M208 F210 I234 | M125-F195 HydrophobicContact CE-CE2 4.32Å; M125-F195 HydrophobicContact CE-CZ 4.4Å; M125-F195 HydrophobicContact SD-CD2 4.38Å; M125-F195 HydrophobicContact SD-CE2 4.31Å; K193-F195 WeakPolarHBondContact O-CD1 3.43Å; K193-F195 WeakPolarHBondContact O-CE1 3.45Å; K193-F195 PolarHBondContact O-N 2.79Å; F195-I197 HydrophobicContact CD2-CD1 3.72Å; F195-I197 HydrophobicContact CD2-CG1 3.89Å; F195-I197 HydrophobicContact CE2-CD1 4Å; F195-I197 HydrophobicContact CE2-CG1 3.93Å; F195-M208 HydrophobicContact CE2-CE 3.85Å; F195-M208 HydrophobicContact CE2-SD 4.48Å; F195-M208 HydrophobicContact CZ-CE 4Å; F195-F210 HydrophobicContact CD1-CD1 4.25Å; F195-F210 HydrophobicContact CD2-CB 4.48Å; F195-F210 HydrophobicContact CE1-CB 4.09Å; F195-F210 AromaticContact CE1-CD1 3.52Å; F195-F210 HydrophobicContact CE1-CD1 3.52Å; F195-F210 HydrophobicContact CE1-CE1 4.41Å; F195-F210 HydrophobicContact CE1-CG 4.2Å; F195-F210 HydrophobicContact CE2-CB 4Å; F195-F210 HydrophobicContact CZ-CB 3.78Å; F195-F210 AromaticContact CZ-CD1 3.87Å; F195-F210 HydrophobicContact CZ-CD1 3.87Å; F195-F210 HydrophobicContact CZ-CG 4.13Å; F195-F210 PolarHBondContact N-O 2.81Å; F195-F210 PolarHBondContact O-N 3.26Å; F195-F210 VanDerWaalsContact O-O 3.12Å; F195-I234 HydrophobicContact CE2-CG2 4.28Å; F195-I234 HydrophobicContact CZ-CG2 4.36Å |
| 196 | Q | 97.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 65.1 Ų | 65.1 | 3% | 0.028 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 142.4 | 167.8 | -73.3 | 170.3 | -24.1 | 0 | 0 | 107.8 | N167 K168 N182 F183 I206 M208 Q209 | N167-Q196 CarbonylContact C-O 3.44Å; N167-Q196 WeakPolarHBondContact CA-O 3.27Å; K168-Q196 HydrophobicContact CB-CB 4.01Å; K168-Q196 PolarHBondContact N-O 3.11Å; N182-Q196 PolarHBondContact O-NE2 2.61Å; F183-Q196 HydrophobicContact CD1-CG 4.44Å; F183-Q196 HydrophobicContact CE1-CG 4Å; Q196-I206 HydrophobicContact CB-CD1 4.34Å; Q196-I206 HydrophobicContact CB-CG2 4.06Å; Q196-I206 HydrophobicContact CG-CD1 4.48Å; Q196-I206 HydrophobicContact CG-CG2 3.99Å; Q196-M208 CarbonylContact C-O 3.59Å; Q196-M208 WeakPolarHBondContact CA-O 3.44Å; Q196-Q209 HydrophobicContact CG-CB 4.26Å; Q196-Q209 HydrophobicContact CG-CG 3.89Å |
| 197 | I | 98.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.7 | 175.1 | -56.4 | -59.9 | 0 | 0 | 0 | 108.4 | M125 V127 L165 H166 N167 F195 V207 M208 | M125-I197 HydrophobicContact CE-CD1 4.27Å; M125-I197 HydrophobicContact SD-CD1 3.96Å; V127-I197 HydrophobicContact CG2-CD1 4.22Å; L165-I197 HydrophobicContact CB-CG2 3.52Å; L165-I197 HydrophobicContact CD1-CG2 3.97Å; L165-I197 HydrophobicContact CG-CG2 4.32Å; H166-I197 CarbonylContact O-C 3.57Å; H166-I197 VanDerWaalsContact O-CA 3.31Å; H166-I197 WeakPolarHBondContact O-CA 3.28Å; N167-I197 HydrophobicContact CB-CD1 4.27Å; F195-I197 HydrophobicContact CD2-CD1 3.72Å; F195-I197 HydrophobicContact CD2-CG1 3.89Å; F195-I197 HydrophobicContact CE2-CD1 4Å; F195-I197 HydrophobicContact CE2-CG1 3.93Å; I197-V207 WeakPolarHBondContact O-CB 2.97Å; I197-V207 PolarHBondContact O-N 2.67Å; I197-M208 HydrophobicContact CB-CB 4.1Å; I197-M208 HydrophobicContact CG1-CB 4.26Å; I197-M208 HydrophobicContact CG1-SD 4.37Å; I197-M208 PolarHBondContact N-O 2.72Å; I197-M208 PolarHBondContact O-N 3.15Å |
| 198 | V | 98.3 | Very high | 93 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 165 | -175.2 | -63.5 | 0 | 0 | 0 | 0 | 110.9 | L165 H166 K168 L203 I206 | L165-V198 VanDerWaalsContact CA-O 3.31Å; L165-V198 WeakPolarHBondContact CA-O 3.45Å; H166-V198 PolarHBondContact N-O 3.39Å; H166-V198 PolarHBondContact O-N 3.12Å; K168-V198 HydrophobicContact CB-CG1 4.08Å; K168-V198 HydrophobicContact CB-CG2 4.05Å; K168-V198 HydrophobicContact CD-CG1 4.17Å; K168-V198 HydrophobicContact CG-CG1 4.41Å; K168-V198 HydrophobicContact CG-CG2 4.45Å; V198-L203 HydrophobicContact CG2-CD2 3.77Å; V198-I206 HydrophobicContact CG1-CD1 3.63Å |
| 199 | H | 97.5 | Very high | 93.4 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.9 | 170.8 | -173.7 | -93.3 | 0 | 0 | 0 | 109.8 | E164 L165 K201 D202 | E164-H199 PolarHBondContact O-CD2 3.01Å; L165-H199 HydrophobicContact CD2-CB 3.78Å; H199-K201 WeakPolarHBondContact ND1-CB 3.17Å; H199-K201 PolarHBondContact ND1-N 3.29Å; H199-K201 VanDerWaalsContact ND1-N 3.19Å; H199-K201 PolarHBondContact O-N 2.95Å; H199-K201 VanDerWaalsContact O-N 3.09Å; H199-D202 CarbonylContact O-C 3.58Å; H199-D202 PolarHBondContact O-N 3.24Å |
| 200 | N | 93.8 | Very high | 93.9 | Very high | 96 Ų | 96 | 54.3 Ų | 54.3 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.4 | -175.2 | -72.7 | -25.2 | 0 | 0 | 0 | 114.5 | H166 | H166-N200 VanDerWaalsContact CD2-CG 3.46Å; H166-N200 PolarHBondContact CD2-ND2 3.49Å; H166-N200 PolarHBondContact CD2-OD1 3.34Å; H166-N200 PolarHBondContact NE2-ND2 3.32Å |
| 201 | K | 95 | Very high | 94.5 | Very high | 193 Ų | 193 | 49.7 Ų | 49.7 | 84% | 0.839 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -16.1 | 177.8 | -60.6 | -177.8 | -174 | 177.4 | 0 | 113.7 | H199 | H199-K201 WeakPolarHBondContact ND1-CB 3.17Å; H199-K201 PolarHBondContact ND1-N 3.29Å; H199-K201 VanDerWaalsContact ND1-N 3.19Å; H199-K201 PolarHBondContact O-N 2.95Å; H199-K201 VanDerWaalsContact O-N 3.09Å |
| 202 | D | 96.1 | Very high | 95 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 96 | -178.6 | -173.4 | -13.7 | 0 | 0 | 0 | 109 | H199 D204 Y205 | H199-D202 CarbonylContact O-C 3.58Å; H199-D202 PolarHBondContact O-N 3.24Å; D202-D204 VanDerWaalsContact C-N 3.3Å; D202-D204 PolarHBondContact OD1-N 3.47Å; D202-D204 VanDerWaalsContact OD1-N 3.11Å; D202-Y205 VanDerWaalsContact CG-CB 3.47Å; D202-Y205 PolarHBondContact OD1-N 3.03Å; D202-Y205 WeakPolarHBondContact OD2-CB 3.33Å |
| 203 | L | 94.9 | Very high | 95.7 | Very high | 91 Ų | 91 | 46.5 Ų | 46.5 | 48% | 0.476 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -13.1 | -177.7 | -59.3 | -180 | 0 | 0 | 0 | 112.7 | K168 V198 | K168-L203 VanDerWaalsContact CE-O 3.3Å; K168-L203 WeakPolarHBondContact CE-O 3.4Å; K168-L203 PolarHBondContact NZ-O 3.15Å; V198-L203 HydrophobicContact CG2-CD2 3.77Å |
| 204 | D | 94.8 | Very high | 96.1 | Very high | 134 Ų | 134 | 45.2 Ų | 45.2 | 72% | 0.717 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -26.1 | -178.9 | -66.5 | -31.9 | 0 | 0 | 0 | 111.3 | K168 D202 I206 | K168-D204 IonicContact NZ-OD1 3.5Å; D202-D204 VanDerWaalsContact C-N 3.3Å; D202-D204 PolarHBondContact OD1-N 3.47Å; D202-D204 VanDerWaalsContact OD1-N 3.11Å; D204-I206 PolarHBondContact O-N 2.92Å; D204-I206 VanDerWaalsContact O-N 3.08Å |
| 205 | Y | 97.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 48.8 Ų | 48.8 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 97.7 | 167.8 | -172.5 | -103 | 0 | 0 | 0 | 112.3 | D202 V207 N223 Y224 | D202-Y205 VanDerWaalsContact CG-CB 3.47Å; D202-Y205 PolarHBondContact OD1-N 3.03Å; D202-Y205 WeakPolarHBondContact OD2-CB 3.33Å; Y205-V207 HydrophobicContact CD1-CG2 3.78Å; Y205-V207 HydrophobicContact CE1-CG2 3.82Å; Y205-V207 PolarHBondContact O-N 3.09Å; Y205-N223 HydrophobicContact CE1-CB 4.47Å; Y205-N223 HydrophobicContact CE2-CB 4.41Å; Y205-N223 WeakPolarHBondContact OH-CB 3.31Å; Y205-Y224 WeakPolarHBondContact CE1-O 3.45Å; Y205-Y224 PolarHBondContact OH-N 3.4Å; Y205-Y224 PolarHBondContact OH-O 3.23Å |
| 206 | I | 97.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 100.4 | 176.9 | -49.4 | -53.4 | 0 | 0 | 0 | 110 | K168 Q196 V198 D204 M208 Q209 N223 | K168-I206 HydrophobicContact CD-CD1 4.02Å; Q196-I206 HydrophobicContact CB-CD1 4.34Å; Q196-I206 HydrophobicContact CB-CG2 4.06Å; Q196-I206 HydrophobicContact CG-CD1 4.48Å; Q196-I206 HydrophobicContact CG-CG2 3.99Å; V198-I206 HydrophobicContact CG1-CD1 3.63Å; D204-I206 PolarHBondContact O-N 2.92Å; D204-I206 VanDerWaalsContact O-N 3.08Å; I206-M208 VanDerWaalsContact C-N 3.35Å; I206-M208 WeakPolarHBondContact CG2-O 3.43Å; I206-Q209 HydrophobicContact CG2-CB 3.95Å; I206-N223 PolarHBondContact O-ND2 3.37Å |
| 207 | V | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -39.5 | 178.6 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | L165 I197 Y205 Y222 N223 M226 | L165-V207 HydrophobicContact CD1-CB 4.4Å; L165-V207 HydrophobicContact CD1-CG1 3.95Å; L165-V207 HydrophobicContact CD1-CG2 4.46Å; L165-V207 HydrophobicContact CD2-CG2 4Å; I197-V207 WeakPolarHBondContact O-CB 2.97Å; I197-V207 PolarHBondContact O-N 2.67Å; Y205-V207 HydrophobicContact CD1-CG2 3.78Å; Y205-V207 HydrophobicContact CE1-CG2 3.82Å; Y205-V207 PolarHBondContact O-N 3.09Å; V207-Y222 CarbonylContact O-C 3.55Å; V207-Y222 WeakPolarHBondContact O-CA 3.24Å; V207-N223 PolarHBondContact O-N 3.49Å; V207-M226 HydrophobicContact CG1-CB 4.24Å; V207-M226 HydrophobicContact CG1-CE 4.02Å |
| 208 | M | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 140.8 | 177.1 | 175.7 | -170.2 | 163.8 | 0 | 0 | 109.6 | F195 Q196 I197 I206 F210 L220 D221 M226 A231 I234 A235 | F195-M208 HydrophobicContact CE2-CE 3.85Å; F195-M208 HydrophobicContact CE2-SD 4.48Å; F195-M208 HydrophobicContact CZ-CE 4Å; Q196-M208 CarbonylContact C-O 3.59Å; Q196-M208 WeakPolarHBondContact CA-O 3.44Å; I197-M208 HydrophobicContact CB-CB 4.1Å; I197-M208 HydrophobicContact CG1-CB 4.26Å; I197-M208 HydrophobicContact CG1-SD 4.37Å; I197-M208 PolarHBondContact N-O 2.72Å; I197-M208 PolarHBondContact O-N 3.15Å; I206-M208 VanDerWaalsContact C-N 3.35Å; I206-M208 WeakPolarHBondContact CG2-O 3.43Å; M208-F210 HydrophobicContact CE-CB 4.14Å; M208-L220 HydrophobicContact CE-CD1 3.29Å; M208-L220 HydrophobicContact CG-CD1 3.92Å; M208-L220 HydrophobicContact SD-CD1 4.25Å; M208-D221 CarbonylContact C-O 3.46Å; M208-D221 VanDerWaalsContact CA-O 3.32Å; M208-D221 WeakPolarHBondContact CA-O 3.36Å; M208-M226 HydrophobicContact CB-CE 3.99Å; M208-M226 HydrophobicContact CB-SD 3.78Å; M208-M226 HydrophobicContact CG-SD 4.03Å; M208-M226 HydrophobicContact SD-CE 4.15Å; M208-M226 HydrophobicContact SD-SD 3.65Å; M208-M226 VanDerWaalsContact SD-SD 3.65Å; M208-A231 VanDerWaalsContact CE-O 3.26Å; M208-A231 WeakPolarHBondContact CE-O 3.33Å; M208-A231 HydrophobicContact SD-CB 4.35Å; M208-I234 HydrophobicContact CE-CB 3.89Å; M208-I234 HydrophobicContact CE-CG2 3.71Å; M208-I234 HydrophobicContact SD-CB 3.92Å; M208-I234 HydrophobicContact SD-CD1 4.02Å; M208-I234 HydrophobicContact SD-CG2 3.74Å; M208-A235 HydrophobicContact CE-CB 4.17Å |
| 209 | Q | 97.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.7 | 173.6 | -178 | 173 | -79 | 0 | 0 | 109.4 | F183 Q196 I206 L220 D221 | F183-Q209 HydrophobicContact CD1-CG 3.39Å; F183-Q209 HydrophobicContact CE1-CG 3.74Å; F183-Q209 PolarHBondContact O-NE2 2.93Å; Q196-Q209 HydrophobicContact CG-CB 4.26Å; Q196-Q209 HydrophobicContact CG-CG 3.89Å; I206-Q209 HydrophobicContact CG2-CB 3.95Å; Q209-L220 WeakPolarHBondContact O-CA 3.28Å; Q209-D221 PolarHBondContact N-O 2.54Å; Q209-D221 PolarHBondContact O-N 3.17Å |
| 210 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.1 | 178.2 | -177.9 | -107.7 | 0 | 0 | 0 | 110.6 | V14 K193 N194 F195 M208 F218 T219 L220 A235 F239 | V14-F210 HydrophobicContact CB-CE2 4.36Å; V14-F210 HydrophobicContact CG2-CE2 4.24Å; K193-F210 HydrophobicContact CB-CE1 4.32Å; K193-F210 VanDerWaalsContact O-CD1 3.27Å; K193-F210 WeakPolarHBondContact O-CD1 3.4Å; N194-F210 WeakPolarHBondContact CA-O 3.45Å; F195-F210 HydrophobicContact CD1-CD1 4.25Å; F195-F210 HydrophobicContact CD2-CB 4.48Å; F195-F210 HydrophobicContact CE1-CB 4.09Å; F195-F210 AromaticContact CE1-CD1 3.52Å; F195-F210 HydrophobicContact CE1-CD1 3.52Å; F195-F210 HydrophobicContact CE1-CE1 4.41Å; F195-F210 HydrophobicContact CE1-CG 4.2Å; F195-F210 HydrophobicContact CE2-CB 4Å; F195-F210 HydrophobicContact CZ-CB 3.78Å; F195-F210 AromaticContact CZ-CD1 3.87Å; F195-F210 HydrophobicContact CZ-CD1 3.87Å; F195-F210 HydrophobicContact CZ-CG 4.13Å; F195-F210 PolarHBondContact N-O 2.81Å; F195-F210 PolarHBondContact O-N 3.26Å; F195-F210 VanDerWaalsContact O-O 3.12Å; M208-F210 HydrophobicContact CE-CB 4.14Å; F210-F218 HydrophobicContact CD2-CB 4.38Å; F210-F218 HydrophobicContact CE1-CD1 4.13Å; F210-F218 HydrophobicContact CE2-CB 3.47Å; F210-F218 VanDerWaalsContact CE2-CB 3.47Å; F210-F218 HydrophobicContact CE2-CD1 4.43Å; F210-F218 HydrophobicContact CE2-CG 4.08Å; F210-F218 HydrophobicContact CZ-CB 3.61Å; F210-F218 AromaticContact CZ-CD1 3.7Å; F210-F218 HydrophobicContact CZ-CD1 3.7Å; F210-F218 HydrophobicContact CZ-CD2 4.5Å; F210-F218 AromaticContact CZ-CG 3.68Å; F210-F218 HydrophobicContact CZ-CG 3.68Å; F210-T219 WeakPolarHBondContact CA-O 3.36Å; F210-T219 WeakPolarHBondContact CD2-O 3.19Å; F210-L220 HydrophobicContact CB-CD1 4.18Å; F210-L220 HydrophobicContact CD2-CB 4Å; F210-L220 HydrophobicContact CD2-CD1 3.94Å; F210-L220 HydrophobicContact CD2-CG 4.5Å; F210-L220 HydrophobicContact CG-CD1 4.49Å; F210-A235 HydrophobicContact CD2-CB 3.91Å; F210-A235 HydrophobicContact CE2-CB 3.83Å; F210-A235 HydrophobicContact CG-CB 4.32Å; F210-A235 HydrophobicContact CZ-CB 4.16Å; F210-F239 HydrophobicContact CE1-CE2 4.37Å; F210-F239 HydrophobicContact CE1-CZ 4.31Å; F210-F239 AromaticContact CZ-CE2 3.73Å; F210-F239 HydrophobicContact CZ-CE2 3.73Å; F210-F239 AromaticContact CZ-CZ 3.64Å; F210-F239 HydrophobicContact CZ-CZ 3.64Å |
| 211 | G | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 167.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | N194 F218 T219 | N194-G211 WeakPolarHBondContact OD1-CA 3.49Å; G211-F218 CarbonylContact O-C 3.48Å; G211-F218 WeakPolarHBondContact O-CA 3.48Å; G211-F218 WeakPolarHBondContact O-CB 3.41Å; G211-T219 PolarHBondContact N-O 2.87Å; G211-T219 VanDerWaalsContact N-O 3.13Å; G211-T219 PolarHBondContact O-N 3.39Å; G211-T219 PolarHBondContact O-OG1 2.81Å |
| 212 | R | 94.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 137 | -173 | -164.8 | -179.2 | -160.6 | -165 | 6.6 | 111.9 | V187 T188 Q189 N194 A214 D215 F218 | V187-R212 WeakPolarHBondContact CG1-O 3.33Å; T188-R212 PolarHBondContact N-O 2.7Å; Q189-R212 HydrophobicContact CB-CB 4.26Å; Q189-R212 HydrophobicContact CB-CG 4.25Å; Q189-R212 PolarHBondContact N-O 2.85Å; Q189-R212 VanDerWaalsContact N-O 3.1Å; N194-R212 PolarHBondContact OD1-N 3Å; R212-A214 WeakPolarHBondContact CG-O 3.29Å; R212-A214 PolarHBondContact NE-O 3.01Å; R212-A214 VanDerWaalsContact NE-O 3.14Å; R212-D215 IonicContact CZ-OD1 3.73Å; R212-D215 PolarHBondContact NE-O 2.92Å; R212-D215 IonicContact NH1-OD1 3.11Å; R212-D215 PolarHBondContact NH2-O 3.5Å; R212-D215 IonicContact NH2-OD1 2.93Å; R212-D215 PolarHBondContact NH2-OD1 3.11Å; R212-F218 HydrophobicContact CB-CD1 3.85Å; R212-F218 HydrophobicContact CB-CE1 3.83Å; R212-F218 HydrophobicContact CG-CD1 4.02Å; R212-F218 HydrophobicContact CG-CE1 3.66Å; R212-F218 HydrophobicContact CG-CZ 4.28Å |
| 213 | I | 95.4 | Very high | 96.3 | Very high | 37 Ų | 37 | 35 Ų | 35 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | -23.7 | 171.7 | 59.5 | 166 | 0 | 0 | 0 | 113.2 | R186 T188 Q189 I217 T219 | R186-I213 WeakPolarHBondContact O-CG2 3.5Å; T188-I213 WeakPolarHBondContact OG1-CA 3.19Å; T188-I213 PolarHBondContact OG1-O 3.12Å; Q189-I213 PolarHBondContact NE2-O 3.23Å; I213-I217 HydrophobicContact CD1-CB 4.43Å; I213-I217 HydrophobicContact CD1-CG2 3.65Å; I213-I217 HydrophobicContact CG1-CB 4Å; I213-I217 HydrophobicContact CG1-CG2 3.72Å; I213-I217 WeakPolarHBondContact CG1-O 3.31Å; I213-I217 PolarHBondContact N-O 3Å; I213-T219 HydrophobicContact CD1-CG2 4.11Å; I213-T219 HydrophobicContact CG2-CG2 3.94Å |
| 214 | A | 94 | Very high | 96.4 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 25% | 0.248 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -178.1 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | R212 D216 I217 | R212-A214 WeakPolarHBondContact CG-O 3.29Å; R212-A214 PolarHBondContact NE-O 3.01Å; R212-A214 VanDerWaalsContact NE-O 3.14Å; A214-D216 VanDerWaalsContact C-N 3.25Å; A214-D216 PolarHBondContact O-N 3.04Å; A214-D216 VanDerWaalsContact O-N 3.15Å; A214-I217 HydrophobicContact CB-CB 3.94Å; A214-I217 HydrophobicContact CB-CD1 4.08Å; A214-I217 HydrophobicContact CB-CG1 4.06Å; A214-I217 PolarHBondContact N-O 2.84Å; A214-I217 PolarHBondContact O-N 3Å |
| 215 | D | 88.1 | Confident | 96.6 | Very high | 106 Ų | 106 | 26.5 Ų | 26.5 | 57% | 0.567 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -40.8 | -169.9 | -86.7 | -38.3 | 0 | 0 | 0 | 114.2 | R16 R212 | R16-D215 PolarHBondContact NH2-O 3.15Å; R212-D215 IonicContact CZ-OD1 3.73Å; R212-D215 PolarHBondContact NE-O 2.92Å; R212-D215 IonicContact NH1-OD1 3.11Å; R212-D215 PolarHBondContact NH2-O 3.5Å; R212-D215 IonicContact NH2-OD1 2.93Å; R212-D215 PolarHBondContact NH2-OD1 3.11Å |
| 216 | D | 92.3 | Very high | 96.6 | Very high | 51 Ų | 51 | 22.8 Ų | 22.8 | 27% | 0.273 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | 19.2 | -178.3 | -72.6 | -44.8 | 0 | 0 | 0 | 112.7 | T15 R16 A214 | T15-D216 CarbonylContact C-O 3.49Å; T15-D216 WeakPolarHBondContact CA-O 3.33Å; R16-D216 HydrophobicContact CB-CB 4.11Å; R16-D216 IonicContact CZ-OD1 3.93Å; R16-D216 PolarHBondContact N-O 2.79Å; R16-D216 IonicContact NE-OD1 3.97Å; R16-D216 PolarHBondContact NE-OD1 3.31Å; R16-D216 IonicContact NH2-OD1 2.8Å; R16-D216 PolarHBondContact NH2-OD1 2.77Å; R16-D216 WeakPolarHBondContact O-CB 3.35Å; A214-D216 VanDerWaalsContact C-N 3.25Å; A214-D216 PolarHBondContact O-N 3.04Å; A214-D216 VanDerWaalsContact O-N 3.15Å |
| 217 | I | 95.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 21.3 Ų | 21.3 | 28% | 0.282 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.5 | -176.3 | -46.9 | 179 | 0 | 0 | 0 | 109.7 | R13 V14 I213 A214 | R13-I217 HydrophobicContact CG-CG2 3.74Å; V14-I217 WeakPolarHBondContact O-CA 3.45Å; I213-I217 HydrophobicContact CD1-CB 4.43Å; I213-I217 HydrophobicContact CD1-CG2 3.65Å; I213-I217 HydrophobicContact CG1-CB 4Å; I213-I217 HydrophobicContact CG1-CG2 3.72Å; I213-I217 WeakPolarHBondContact CG1-O 3.31Å; I213-I217 PolarHBondContact N-O 3Å; A214-I217 HydrophobicContact CB-CB 3.94Å; A214-I217 HydrophobicContact CB-CD1 4.08Å; A214-I217 HydrophobicContact CB-CG1 4.06Å; A214-I217 PolarHBondContact N-O 2.84Å; A214-I217 PolarHBondContact O-N 3Å |
| 218 | F | 97.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 147.8 | -176.8 | -51 | -98.7 | 0 | 0 | 0 | 109.6 | R13 V14 K193 F210 G211 R212 F239 | R13-F218 CarbonylContact C-O 3.54Å; R13-F218 WeakPolarHBondContact CA-O 3.37Å; V14-F218 HydrophobicContact CB-CB 4.23Å; V14-F218 PolarHBondContact N-O 3.44Å; V14-F218 PolarHBondContact O-N 3.5Å; K193-F218 HydrophobicContact CD-CE1 4.44Å; F210-F218 HydrophobicContact CD2-CB 4.38Å; F210-F218 HydrophobicContact CE1-CD1 4.13Å; F210-F218 HydrophobicContact CE2-CB 3.47Å; F210-F218 VanDerWaalsContact CE2-CB 3.47Å; F210-F218 HydrophobicContact CE2-CD1 4.43Å; F210-F218 HydrophobicContact CE2-CG 4.08Å; F210-F218 HydrophobicContact CZ-CB 3.61Å; F210-F218 AromaticContact CZ-CD1 3.7Å; F210-F218 HydrophobicContact CZ-CD1 3.7Å; F210-F218 HydrophobicContact CZ-CD2 4.5Å; F210-F218 AromaticContact CZ-CG 3.68Å; F210-F218 HydrophobicContact CZ-CG 3.68Å; G211-F218 CarbonylContact O-C 3.48Å; G211-F218 WeakPolarHBondContact O-CA 3.48Å; G211-F218 WeakPolarHBondContact O-CB 3.41Å; R212-F218 HydrophobicContact CB-CD1 3.85Å; R212-F218 HydrophobicContact CB-CE1 3.83Å; R212-F218 HydrophobicContact CG-CD1 4.02Å; R212-F218 HydrophobicContact CG-CE1 3.66Å; R212-F218 HydrophobicContact CG-CZ 4.28Å; F218-F239 HydrophobicContact CD1-CE1 4.48Å; F218-F239 HydrophobicContact CD1-CZ 4.2Å; F218-F239 HydrophobicContact CD2-CE1 4.21Å; F218-F239 AromaticContact CD2-CZ 3.71Å; F218-F239 HydrophobicContact CD2-CZ 3.71Å; F218-F239 AromaticContact CE1-CE1 3.9Å; F218-F239 HydrophobicContact CE1-CE1 3.9Å; F218-F239 HydrophobicContact CE1-CZ 4.08Å; F218-F239 AromaticContact CE2-CE1 3.61Å; F218-F239 HydrophobicContact CE2-CE1 3.61Å; F218-F239 AromaticContact CE2-CZ 3.59Å; F218-F239 HydrophobicContact CE2-CZ 3.59Å; F218-F239 HydrophobicContact CG-CZ 4.05Å; F218-F239 AromaticContact CZ-CE1 3.46Å; F218-F239 HydrophobicContact CZ-CE1 3.46Å; F218-F239 VanDerWaalsContact CZ-CE1 3.46Å; F218-F239 AromaticContact CZ-CZ 3.81Å; F218-F239 HydrophobicContact CZ-CZ 3.81Å |
| 219 | T | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 142.6 | 166.7 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | R186 F210 G211 I213 | R186-T219 WeakPolarHBondContact O-CG2 3.5Å; R186-T219 PolarHBondContact O-OG1 2.85Å; F210-T219 WeakPolarHBondContact CA-O 3.36Å; F210-T219 WeakPolarHBondContact CD2-O 3.19Å; G211-T219 PolarHBondContact N-O 2.87Å; G211-T219 VanDerWaalsContact N-O 3.13Å; G211-T219 PolarHBondContact O-N 3.39Å; G211-T219 PolarHBondContact O-OG1 2.81Å; I213-T219 HydrophobicContact CD1-CG2 4.11Å; I213-T219 HydrophobicContact CG2-CG2 3.94Å |
| 220 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 107 | 174.8 | 175.8 | 61.1 | 0 | 0 | 0 | 108.2 | C12 V14 L31 M208 Q209 F210 A231 A235 | C12-L220 CarbonylContact C-O 3.19Å; C12-L220 VanDerWaalsContact CA-O 3.26Å; C12-L220 WeakPolarHBondContact CA-O 3.44Å; C12-L220 HydrophobicContact CB-CB 4.39Å; C12-L220 WeakPolarHBondContact CB-O 3.25Å; C12-L220 PolarHBondContact N-O 2.82Å; C12-L220 PolarHBondContact O-N 2.92Å; V14-L220 HydrophobicContact CG2-CB 3.91Å; V14-L220 HydrophobicContact CG2-CD2 4.02Å; L31-L220 HydrophobicContact CD1-CB 4.41Å; L31-L220 HydrophobicContact CD1-CD2 3.74Å; M208-L220 HydrophobicContact CE-CD1 3.29Å; M208-L220 HydrophobicContact CG-CD1 3.92Å; M208-L220 HydrophobicContact SD-CD1 4.25Å; Q209-L220 WeakPolarHBondContact O-CA 3.28Å; F210-L220 HydrophobicContact CB-CD1 4.18Å; F210-L220 HydrophobicContact CD2-CB 4Å; F210-L220 HydrophobicContact CD2-CD1 3.94Å; F210-L220 HydrophobicContact CD2-CG 4.5Å; F210-L220 HydrophobicContact CG-CD1 4.49Å; L220-A231 HydrophobicContact CD1-CB 4.32Å; L220-A231 HydrophobicContact CD2-CB 4.09Å; L220-A231 HydrophobicContact CG-CB 4.44Å; L220-A235 HydrophobicContact CD1-CB 4.48Å; L220-A235 HydrophobicContact CD2-CB 4.32Å |
| 221 | D | 98.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 21.7 Ų | 21.7 | 6% | 0.059 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.2 | 178.1 | -54.7 | -23.7 | 0 | 0 | 0 | 108.4 | T9 V10 K11 C12 R186 M208 Q209 | T9-D221 HydrophobicContact CG2-CB 4.02Å; V10-D221 WeakPolarHBondContact O-CA 3.39Å; K11-D221 VanDerWaalsContact CA-OD1 3.27Å; K11-D221 WeakPolarHBondContact CA-OD1 3.1Å; K11-D221 WeakPolarHBondContact CB-OD1 3.23Å; C12-D221 PolarHBondContact N-OD1 3.07Å; R186-D221 IonicContact CZ-OD1 2.79Å; R186-D221 IonicContact CZ-OD2 3.61Å; R186-D221 IonicContact NE-OD1 3.53Å; R186-D221 IonicContact NE-OD2 3.59Å; R186-D221 PolarHBondContact NE-OD2 3.47Å; R186-D221 IonicContact NH2-OD1 2.7Å; R186-D221 PolarHBondContact NH2-OD1 3.29Å; R186-D221 IonicContact NH2-OD2 3.59Å; M208-D221 CarbonylContact C-O 3.46Å; M208-D221 VanDerWaalsContact CA-O 3.32Å; M208-D221 WeakPolarHBondContact CA-O 3.36Å; Q209-D221 PolarHBondContact N-O 2.54Å; Q209-D221 PolarHBondContact O-N 3.17Å |
| 222 | Y | 98.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 21.7 Ų | 21.7 | 7% | 0.071 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 152.3 | 178.8 | 69.4 | -84.2 | 0 | 0 | 0 | 112.3 | A4 V10 V207 M226 A228 A231 | A4-Y222 HydrophobicContact CB-CD2 3.9Å; A4-Y222 HydrophobicContact CB-CE2 3.76Å; V10-Y222 HydrophobicContact CB-CD1 4.1Å; V10-Y222 HydrophobicContact CB-CD2 4.46Å; V10-Y222 HydrophobicContact CB-CE1 3.6Å; V10-Y222 HydrophobicContact CB-CE2 4.02Å; V10-Y222 HydrophobicContact CG1-CD1 4.43Å; V10-Y222 HydrophobicContact CG1-CE1 3.56Å; V10-Y222 WeakPolarHBondContact CG1-OH 3.41Å; V10-Y222 HydrophobicContact CG2-CE1 4.46Å; V10-Y222 HydrophobicContact CG2-CE2 4.07Å; V10-Y222 PolarHBondContact N-O 3.32Å; V10-Y222 PolarHBondContact O-N 3.24Å; V207-Y222 CarbonylContact O-C 3.55Å; V207-Y222 WeakPolarHBondContact O-CA 3.24Å; Y222-M226 HydrophobicContact CD2-CB 4.26Å; Y222-M226 VanDerWaalsContact CD2-O 3.29Å; Y222-M226 WeakPolarHBondContact CD2-O 3.41Å; Y222-M226 WeakPolarHBondContact CE2-O 3.4Å; Y222-A228 HydrophobicContact CE1-CB 4.3Å; Y222-A228 WeakPolarHBondContact OH-CB 3.45Å; Y222-A231 HydrophobicContact CD1-CB 3.9Å; Y222-A231 HydrophobicContact CG-CB 3.91Å |
| 223 | N | 98.6 | Very high | 97.1 | Very high | 19 Ų | 19 | 19.1 Ų | 19.1 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | trans | -124.6 | 170.4 | -178.9 | -75.3 | -62.7 | 0 | 0 | 0 | 110.4 | V8 T9 Y205 I206 V207 M226 | V8-N223 PolarHBondContact O-OD1 2.87Å; T9-N223 WeakPolarHBondContact CA-OD1 3.08Å; T9-N223 WeakPolarHBondContact CB-OD1 3.47Å; T9-N223 PolarHBondContact N-OD1 3.49Å; T9-N223 PolarHBondContact OG1-OD1 2.96Å; Y205-N223 HydrophobicContact CE1-CB 4.47Å; Y205-N223 HydrophobicContact CE2-CB 4.41Å; Y205-N223 WeakPolarHBondContact OH-CB 3.31Å; I206-N223 PolarHBondContact O-ND2 3.37Å; V207-N223 PolarHBondContact O-N 3.49Å; N223-M226 WeakPolarHBondContact O-CB 3.29Å; N223-M226 PolarHBondContact O-N 2.91Å | ||
| 224 | Y | 98.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 17.4 Ų | 17.4 | 14% | 0.141 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 139.8 | 170 | -179.9 | -94 | 0 | 0 | 0 | 110.3 | P3 A4 Q6 M132 N136 Y205 | P3-Y224 HydrophobicContact CB-CD2 4.26Å; A4-Y224 WeakPolarHBondContact O-CB 3.34Å; A4-Y224 WeakPolarHBondContact O-CD2 3.42Å; Q6-Y224 HydrophobicContact CG-CD1 3.85Å; Q6-Y224 HydrophobicContact CG-CD2 3.93Å; Q6-Y224 HydrophobicContact CG-CE1 4.27Å; Q6-Y224 HydrophobicContact CG-CE2 4.36Å; Q6-Y224 HydrophobicContact CG-CG 3.65Å; M132-Y224 WeakPolarHBondContact CB-OH 3.48Å; M132-Y224 HydrophobicContact CE-CE2 3.64Å; M132-Y224 HydrophobicContact CG-CE2 4.41Å; M132-Y224 VanDerWaalsContact CG-OH 3.3Å; M132-Y224 WeakPolarHBondContact CG-OH 3.26Å; N136-Y224 HydrophobicContact CB-CE2 3.97Å; N136-Y224 PolarHBondContact OD1-OH 3.37Å; Y205-Y224 WeakPolarHBondContact CE1-O 3.45Å; Y205-Y224 PolarHBondContact OH-N 3.4Å; Y205-Y224 PolarHBondContact OH-O 3.23Å |
| 225 | P | 98.2 | Very high | 97.4 | Very high | 10 Ų | 10 | 16 Ų | 16 | 7% | 0.065 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | 14.1 | 5.4 | 38 | -39.3 | 0 | 0 | 0 | 114.4 | I129 M132 I163 | I129-P225 HydrophobicContact CD1-CG 3.61Å; M132-P225 HydrophobicContact CE-CB 4.21Å; M132-P225 HydrophobicContact CG-CB 3.61Å; M132-P225 HydrophobicContact SD-CB 3.77Å; I163-P225 HydrophobicContact CD1-CB 4.39Å; I163-P225 HydrophobicContact CD1-CG 3.86Å |
| 226 | M | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -80.7 | 146.4 | -171.9 | -163.1 | 170.4 | -70.9 | 0 | 0 | 111.9 | A4 L165 V207 M208 Y222 N223 Q230 A231 I234 | A4-M226 PolarHBondContact N-O 3.28Å; L165-M226 HydrophobicContact CD1-CE 4.3Å; V207-M226 HydrophobicContact CG1-CB 4.24Å; V207-M226 HydrophobicContact CG1-CE 4.02Å; M208-M226 HydrophobicContact CB-CE 3.99Å; M208-M226 HydrophobicContact CB-SD 3.78Å; M208-M226 HydrophobicContact CG-SD 4.03Å; M208-M226 HydrophobicContact SD-CE 4.15Å; M208-M226 HydrophobicContact SD-SD 3.65Å; M208-M226 VanDerWaalsContact SD-SD 3.65Å; Y222-M226 HydrophobicContact CD2-CB 4.26Å; Y222-M226 VanDerWaalsContact CD2-O 3.29Å; Y222-M226 WeakPolarHBondContact CD2-O 3.41Å; Y222-M226 WeakPolarHBondContact CE2-O 3.4Å; N223-M226 WeakPolarHBondContact O-CB 3.29Å; N223-M226 PolarHBondContact O-N 2.91Å; M226-Q230 HydrophobicContact CG-CB 3.76Å; M226-A231 HydrophobicContact CG-CB 4.1Å; M226-A231 VanDerWaalsContact SD-CA 3.55Å; M226-A231 HydrophobicContact SD-CB 3.63Å; M226-I234 HydrophobicContact CE-CD1 3.48Å; M226-I234 VanDerWaalsContact CE-CD1 3.48Å; M226-I234 HydrophobicContact SD-CD1 3.83Å | ||
| 227 | C | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.044 | C | C | . | . | B | Isolated β-bridge | trans | -108.5 | 164.2 | 169.4 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | M1 E2 R138 V229 Q230 A231 | M1-C227 WeakPolarHBondContact O-CB 3.49Å; E2-C227 WeakPolarHBondContact O-CB 3.49Å; R138-C227 PolarHBondContact NH2-SG 3.15Å; C227-V229 VanDerWaalsContact C-N 3.27Å; C227-V229 PolarHBondContact O-N 3.42Å; C227-Q230 PolarHBondContact O-N 3.05Å; C227-Q230 VanDerWaalsContact O-N 3.09Å; C227-Q230 PolarHBondContact SG-OE1 3.06Å; C227-A231 PolarHBondContact O-N 3.05Å |
| 228 | A | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 6.6 Ų | 6.6 | 15% | 0.149 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -51.8 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L31 L42 Y222 A231 F232 | L31-A228 HydrophobicContact CD2-CB 4.35Å; L42-A228 HydrophobicContact CD1-CB 4.15Å; Y222-A228 HydrophobicContact CE1-CB 4.3Å; Y222-A228 WeakPolarHBondContact OH-CB 3.45Å; A228-A231 PolarHBondContact O-N 3.29Å; A228-F232 WeakPolarHBondContact O-CB 3.5Å; A228-F232 PolarHBondContact O-N 2.66Å |
| 229 | V | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 7.6 Ų | 7.6 | 3% | 0.03 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -68.3 | -40.4 | -178.7 | 176 | 0 | 0 | 0 | 0 | 111.3 | M1 L42 I57 V72 L107 C227 A233 | M1-V229 HydrophobicContact CG-CG2 4.5Å; M1-V229 HydrophobicContact SD-CB 3.65Å; M1-V229 HydrophobicContact SD-CG1 4.03Å; M1-V229 HydrophobicContact SD-CG2 3.52Å; M1-V229 VanDerWaalsContact SD-CG2 3.52Å; L42-V229 HydrophobicContact CD1-CB 4.48Å; L42-V229 HydrophobicContact CD1-CG2 3.83Å; L42-V229 HydrophobicContact CD2-CG2 4.17Å; I57-V229 HydrophobicContact CD1-CG1 4.39Å; V72-V229 HydrophobicContact CG2-CG2 4.34Å; L107-V229 HydrophobicContact CD1-CG1 4.04Å; C227-V229 VanDerWaalsContact C-N 3.27Å; C227-V229 PolarHBondContact O-N 3.42Å; V229-A233 WeakPolarHBondContact O-CB 3.2Å; V229-A233 PolarHBondContact O-N 3.03Å |
| 230 | Q | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.5 | -52.5 | 173.9 | -72.8 | 168.3 | -46.9 | 0 | 0 | 110.8 | L107 A108 R138 M226 C227 F232 A233 I234 | L107-Q230 HydrophobicContact CB-CG 4.15Å; L107-Q230 PolarHBondContact O-NE2 2.66Å; A108-Q230 HydrophobicContact CB-CG 4.41Å; R138-Q230 VanDerWaalsContact NH1-CD 3.26Å; R138-Q230 VanDerWaalsContact NH1-NE2 3.1Å; M226-Q230 HydrophobicContact CG-CB 3.76Å; C227-Q230 PolarHBondContact O-N 3.05Å; C227-Q230 VanDerWaalsContact O-N 3.09Å; C227-Q230 PolarHBondContact SG-OE1 3.06Å; Q230-F232 VanDerWaalsContact C-N 3.3Å; Q230-F232 PolarHBondContact O-N 3.11Å; Q230-A233 PolarHBondContact O-N 2.86Å; Q230-I234 WeakPolarHBondContact O-CB 3.11Å; Q230-I234 WeakPolarHBondContact O-CD1 3.42Å; Q230-I234 WeakPolarHBondContact O-CG1 2.97Å; Q230-I234 PolarHBondContact O-N 2.8Å |
| 231 | A | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | M208 L220 Y222 M226 C227 A228 I234 A235 | M208-A231 VanDerWaalsContact CE-O 3.26Å; M208-A231 WeakPolarHBondContact CE-O 3.33Å; M208-A231 HydrophobicContact SD-CB 4.35Å; L220-A231 HydrophobicContact CD1-CB 4.32Å; L220-A231 HydrophobicContact CD2-CB 4.09Å; L220-A231 HydrophobicContact CG-CB 4.44Å; Y222-A231 HydrophobicContact CD1-CB 3.9Å; Y222-A231 HydrophobicContact CG-CB 3.91Å; M226-A231 HydrophobicContact CG-CB 4.1Å; M226-A231 VanDerWaalsContact SD-CA 3.55Å; M226-A231 HydrophobicContact SD-CB 3.63Å; C227-A231 PolarHBondContact O-N 3.05Å; A228-A231 PolarHBondContact O-N 3.29Å; A231-I234 PolarHBondContact O-N 3.02Å; A231-A235 PolarHBondContact O-N 3.09Å |
| 232 | F | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.9 | -43 | 179 | -170.6 | -134.9 | 0 | 0 | 0 | 112.3 | V14 L31 L42 I57 A228 Q230 I234 A235 L236 | V14-F232 HydrophobicContact CG1-CE2 4.16Å; V14-F232 HydrophobicContact CG2-CD2 4.19Å; V14-F232 HydrophobicContact CG2-CE2 4.22Å; L31-F232 HydrophobicContact CB-CD2 4.03Å; L31-F232 HydrophobicContact CB-CE2 4.07Å; L31-F232 HydrophobicContact CB-CG 4.34Å; L31-F232 HydrophobicContact CB-CZ 4.39Å; L31-F232 HydrophobicContact CD1-CD2 4.29Å; L31-F232 HydrophobicContact CD2-CB 4.13Å; L31-F232 HydrophobicContact CD2-CD2 4.5Å; L31-F232 HydrophobicContact CD2-CG 4.31Å; L42-F232 HydrophobicContact CB-CD1 3.85Å; L42-F232 HydrophobicContact CB-CE1 3.96Å; L42-F232 HydrophobicContact CD1-CB 4.09Å; L42-F232 HydrophobicContact CD1-CD1 3.96Å; L42-F232 HydrophobicContact CD1-CG 4.35Å; I57-F232 HydrophobicContact CD1-CD1 4.43Å; I57-F232 HydrophobicContact CG1-CD1 4.49Å; I57-F232 HydrophobicContact CG2-CD1 3.92Å; I57-F232 HydrophobicContact CG2-CE1 4.22Å; A228-F232 WeakPolarHBondContact O-CB 3.5Å; A228-F232 PolarHBondContact O-N 2.66Å; Q230-F232 VanDerWaalsContact C-N 3.3Å; Q230-F232 PolarHBondContact O-N 3.11Å; F232-I234 VanDerWaalsContact C-N 3.35Å; F232-I234 PolarHBondContact O-N 3.13Å; F232-A235 WeakPolarHBondContact O-CB 3.16Å; F232-A235 PolarHBondContact O-N 2.77Å; F232-L236 HydrophobicContact CD1-CD1 4.08Å; F232-L236 HydrophobicContact CD2-CG 4.43Å; F232-L236 HydrophobicContact CE1-CD1 3.92Å; F232-L236 HydrophobicContact CE1-CG 4.48Å; F232-L236 HydrophobicContact CE2-CD2 4.25Å; F232-L236 HydrophobicContact CE2-CG 4.27Å; F232-L236 HydrophobicContact CG-CD1 4.49Å; F232-L236 HydrophobicContact CZ-CD1 4.18Å; F232-L236 HydrophobicContact CZ-CD2 4.19Å; F232-L236 HydrophobicContact CZ-CG 4.3Å; F232-L236 VanDerWaalsContact O-CG 3.3Å; F232-L236 WeakPolarHBondContact O-CG 3.2Å; F232-L236 PolarHBondContact O-N 2.99Å |
| 233 | A | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I57 L75 V86 V229 Q230 L236 S237 | I57-A233 HydrophobicContact CD1-CB 3.8Å; L75-A233 HydrophobicContact CD1-CB 4.44Å; V86-A233 HydrophobicContact CB-CB 4.24Å; V86-A233 HydrophobicContact CG1-CB 3.6Å; V86-A233 HydrophobicContact CG2-CB 3.51Å; V229-A233 WeakPolarHBondContact O-CB 3.2Å; V229-A233 PolarHBondContact O-N 3.03Å; Q230-A233 PolarHBondContact O-N 2.86Å; A233-L236 PolarHBondContact O-N 3.33Å; A233-S237 PolarHBondContact O-N 3.21Å |
| 234 | I | 98.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 173.6 | -66.6 | 161.8 | 0 | 0 | 0 | 109.6 | I110 M125 V127 F195 M208 M226 Q230 A231 F232 L236 S237 S238 | I110-I234 HydrophobicContact CD1-CG1 4.2Å; I110-I234 HydrophobicContact CG1-CG1 4.01Å; M125-I234 HydrophobicContact CE-CG2 3.34Å; V127-I234 HydrophobicContact CG1-CD1 3.7Å; V127-I234 HydrophobicContact CG1-CG1 4.28Å; V127-I234 HydrophobicContact CG2-CG2 4.36Å; F195-I234 HydrophobicContact CE2-CG2 4.28Å; F195-I234 HydrophobicContact CZ-CG2 4.36Å; M208-I234 HydrophobicContact CE-CB 3.89Å; M208-I234 HydrophobicContact CE-CG2 3.71Å; M208-I234 HydrophobicContact SD-CB 3.92Å; M208-I234 HydrophobicContact SD-CD1 4.02Å; M208-I234 HydrophobicContact SD-CG2 3.74Å; M226-I234 HydrophobicContact CE-CD1 3.48Å; M226-I234 VanDerWaalsContact CE-CD1 3.48Å; M226-I234 HydrophobicContact SD-CD1 3.83Å; Q230-I234 WeakPolarHBondContact O-CB 3.11Å; Q230-I234 WeakPolarHBondContact O-CD1 3.42Å; Q230-I234 WeakPolarHBondContact O-CG1 2.97Å; Q230-I234 PolarHBondContact O-N 2.8Å; A231-I234 PolarHBondContact O-N 3.02Å; F232-I234 VanDerWaalsContact C-N 3.35Å; F232-I234 PolarHBondContact O-N 3.13Å; I234-L236 PolarHBondContact O-N 3.49Å; I234-S237 PolarHBondContact O-N 2.75Å; I234-S237 PolarHBondContact O-OG 3.13Å; I234-S238 PolarHBondContact O-N 3.11Å |
| 235 | A | 97.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M208 F210 L220 A231 F232 S237 S238 F239 | M208-A235 HydrophobicContact CE-CB 4.17Å; F210-A235 HydrophobicContact CD2-CB 3.91Å; F210-A235 HydrophobicContact CE2-CB 3.83Å; F210-A235 HydrophobicContact CG-CB 4.32Å; F210-A235 HydrophobicContact CZ-CB 4.16Å; L220-A235 HydrophobicContact CD1-CB 4.48Å; L220-A235 HydrophobicContact CD2-CB 4.32Å; A231-A235 PolarHBondContact O-N 3.09Å; F232-A235 WeakPolarHBondContact O-CB 3.16Å; F232-A235 PolarHBondContact O-N 2.77Å; A235-S237 VanDerWaalsContact C-N 3.3Å; A235-S237 PolarHBondContact O-N 3.04Å; A235-S238 WeakPolarHBondContact O-CB 2.83Å; A235-S238 PolarHBondContact O-N 2.77Å; A235-S238 PolarHBondContact O-OG 3.01Å; A235-F239 WeakPolarHBondContact O-CD2 3.38Å |
| 236 | L | 96.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.6 | -40.4 | 176.1 | -72.6 | 175.4 | 0 | 0 | 0 | 112.2 | Y29 Y55 I57 L75 F232 A233 I234 S238 F239 | Y29-L236 HydrophobicContact CD1-CD2 4.08Å; Y29-L236 HydrophobicContact CD2-CD2 3.58Å; Y29-L236 HydrophobicContact CE2-CD2 4.14Å; Y29-L236 HydrophobicContact CG-CD2 3.54Å; Y55-L236 HydrophobicContact CD1-CB 4.42Å; Y55-L236 HydrophobicContact CD1-CD1 4.22Å; Y55-L236 HydrophobicContact CD1-CD2 4.1Å; Y55-L236 HydrophobicContact CD1-CG 4.49Å; Y55-L236 HydrophobicContact CE1-CD2 4.2Å; Y55-L236 HydrophobicContact CG-CD1 4.5Å; I57-L236 HydrophobicContact CD1-CD1 4.15Å; I57-L236 HydrophobicContact CG1-CD1 4.06Å; L75-L236 HydrophobicContact CD2-CB 3.82Å; F232-L236 HydrophobicContact CD1-CD1 4.08Å; F232-L236 HydrophobicContact CD2-CG 4.43Å; F232-L236 HydrophobicContact CE1-CD1 3.92Å; F232-L236 HydrophobicContact CE1-CG 4.48Å; F232-L236 HydrophobicContact CE2-CD2 4.25Å; F232-L236 HydrophobicContact CE2-CG 4.27Å; F232-L236 HydrophobicContact CG-CD1 4.49Å; F232-L236 HydrophobicContact CZ-CD1 4.18Å; F232-L236 HydrophobicContact CZ-CD2 4.19Å; F232-L236 HydrophobicContact CZ-CG 4.3Å; F232-L236 VanDerWaalsContact O-CG 3.3Å; F232-L236 WeakPolarHBondContact O-CG 3.2Å; F232-L236 PolarHBondContact O-N 2.99Å; A233-L236 PolarHBondContact O-N 3.33Å; I234-L236 PolarHBondContact O-N 3.49Å; L236-S238 PolarHBondContact O-N 2.86Å; L236-F239 PolarHBondContact O-N 2.85Å; L236-F239 VanDerWaalsContact O-N 3.15Å |
| 237 | S | 95.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -23.4 | 177.1 | 80.7 | 0 | 0 | 0 | 0 | 113.9 | Y112 A233 I234 A235 K242 | Y112-S237 PolarHBondContact OH-O 3.25Å; Y112-S237 PolarHBondContact OH-OG 3.13Å; A233-S237 PolarHBondContact O-N 3.21Å; I234-S237 PolarHBondContact O-N 2.75Å; I234-S237 PolarHBondContact O-OG 3.13Å; A235-S237 VanDerWaalsContact C-N 3.3Å; A235-S237 PolarHBondContact O-N 3.04Å; S237-K242 PolarHBondContact O-NZ 3.18Å; S237-K242 VanDerWaalsContact O-NZ 3.07Å |
| 238 | S | 92.1 | Very high | 81.6 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77 | -24.2 | 177.7 | 83.5 | 0 | 0 | 0 | 0 | 112.9 | Y112 I234 A235 L236 | Y112-S238 WeakPolarHBondContact OH-CA 3.45Å; Y112-S238 PolarHBondContact OH-N 3.2Å; I234-S238 PolarHBondContact O-N 3.11Å; A235-S238 WeakPolarHBondContact O-CB 2.83Å; A235-S238 PolarHBondContact O-N 2.77Å; A235-S238 PolarHBondContact O-OG 3.01Å; L236-S238 PolarHBondContact O-N 2.86Å |
| 239 | F | 89.3 | Confident | 80.6 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -79.3 | -22 | 176.9 | -70.8 | -73.7 | 0 | 0 | 0 | 113.2 | Y29 K193 F210 F218 A235 L236 | Y29-F239 HydrophobicContact CD1-CD2 4.16Å; Y29-F239 AromaticContact CD1-CE2 3.95Å; Y29-F239 HydrophobicContact CD1-CE2 3.95Å; Y29-F239 HydrophobicContact CD1-CZ 4.28Å; Y29-F239 HydrophobicContact CE1-CB 4.33Å; Y29-F239 AromaticContact CE1-CD1 3.83Å; Y29-F239 HydrophobicContact CE1-CD1 3.83Å; Y29-F239 AromaticContact CE1-CD2 3.52Å; Y29-F239 HydrophobicContact CE1-CD2 3.52Å; Y29-F239 AromaticContact CE1-CE1 3.91Å; Y29-F239 HydrophobicContact CE1-CE1 3.91Å; Y29-F239 AromaticContact CE1-CE2 3.61Å; Y29-F239 HydrophobicContact CE1-CE2 3.61Å; Y29-F239 AromaticContact CE1-CG 3.62Å; Y29-F239 HydrophobicContact CE1-CG 3.62Å; Y29-F239 AromaticContact CE1-CZ 3.79Å; Y29-F239 HydrophobicContact CE1-CZ 3.79Å; Y29-F239 AromaticContact CZ-CG 3.85Å; Y29-F239 WeakPolarHBondContact OH-CB 3.29Å; K193-F239 HydrophobicContact CD-CD1 3.97Å; K193-F239 HydrophobicContact CD-CE1 4Å; F210-F239 HydrophobicContact CE1-CE2 4.37Å; F210-F239 HydrophobicContact CE1-CZ 4.31Å; F210-F239 AromaticContact CZ-CE2 3.73Å; F210-F239 HydrophobicContact CZ-CE2 3.73Å; F210-F239 AromaticContact CZ-CZ 3.64Å; F210-F239 HydrophobicContact CZ-CZ 3.64Å; F218-F239 HydrophobicContact CD1-CE1 4.48Å; F218-F239 HydrophobicContact CD1-CZ 4.2Å; F218-F239 HydrophobicContact CD2-CE1 4.21Å; F218-F239 AromaticContact CD2-CZ 3.71Å; F218-F239 HydrophobicContact CD2-CZ 3.71Å; F218-F239 AromaticContact CE1-CE1 3.9Å; F218-F239 HydrophobicContact CE1-CE1 3.9Å; F218-F239 HydrophobicContact CE1-CZ 4.08Å; F218-F239 AromaticContact CE2-CE1 3.61Å; F218-F239 HydrophobicContact CE2-CE1 3.61Å; F218-F239 AromaticContact CE2-CZ 3.59Å; F218-F239 HydrophobicContact CE2-CZ 3.59Å; F218-F239 HydrophobicContact CG-CZ 4.05Å; F218-F239 AromaticContact CZ-CE1 3.46Å; F218-F239 HydrophobicContact CZ-CE1 3.46Å; F218-F239 VanDerWaalsContact CZ-CE1 3.46Å; F218-F239 AromaticContact CZ-CZ 3.81Å; F218-F239 HydrophobicContact CZ-CZ 3.81Å; A235-F239 WeakPolarHBondContact O-CD2 3.38Å; L236-F239 PolarHBondContact O-N 2.85Å; L236-F239 VanDerWaalsContact O-N 3.15Å |
| 240 | D | 81.7 | Confident | 79.6 | Confident | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -75 | 133 | -177.5 | -158.4 | 25.8 | 0 | 0 | 0 | 111 | K46 S53 F84 K242 | K46-D240 IonicContact NZ-OD1 3Å; K46-D240 PolarHBondContact NZ-OD1 3.24Å; S53-D240 WeakPolarHBondContact CB-OD2 3.46Å; S53-D240 PolarHBondContact OG-OD1 3.3Å; S53-D240 VanDerWaalsContact OG-OD1 3.07Å; S53-D240 PolarHBondContact OG-OD2 3.02Å; F84-D240 HydrophobicContact CE1-CB 4.18Å; F84-D240 WeakPolarHBondContact CE1-OD2 3.37Å; F84-D240 HydrophobicContact CZ-CB 4.08Å; D240-K242 PolarHBondContact O-NZ 3.06Å; D240-K242 VanDerWaalsContact O-NZ 3.16Å |
| 241 | G | 67.1 | Low | 78.4 | Confident | 56 Ų | 56 | 34.8 Ų | 34.8 | 58% | 0.577 | 20% | 0.198 | S | C | * | . | trans | -65.3 | 137.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 242 | K | 65.1 | Low | 77.1 | Confident | 17 Ų | 17 | 37.1 Ų | 37.1 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | trans | -114.9 | 107.8 | -175.9 | -59.7 | 178.9 | 176.9 | 55.8 | 0 | 107.6 | G81 Y112 S237 D240 A244 C245 | G81-K242 WeakPolarHBondContact O-CG 3.38Å; Y112-K242 HydrophobicContact CD1-CD 4.29Å; Y112-K242 VanDerWaalsContact CD1-CE 3.46Å; Y112-K242 HydrophobicContact CD2-CD 4.22Å; Y112-K242 HydrophobicContact CG-CD 3.96Å; S237-K242 PolarHBondContact O-NZ 3.18Å; S237-K242 VanDerWaalsContact O-NZ 3.07Å; D240-K242 PolarHBondContact O-NZ 3.06Å; D240-K242 VanDerWaalsContact O-NZ 3.16Å; K242-A244 PolarHBondContact O-N 3.37Å; K242-C245 HydrophobicContact CB-CB 3.68Å; K242-C245 HydrophobicContact CD-CB 4.2Å; K242-C245 PolarHBondContact O-N 2.98Å; K242-C245 VanDerWaalsContact O-N 3.15Å | ||
| 243 | I | 50.8 | Low | 75.5 | Confident | 146 Ų | 146 | 39.7 Ų | 39.7 | 75% | 0.749 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.8 | -173.9 | -61.4 | 171 | 0 | 0 | 0 | 111.7 | ||
| 244 | A | 41.8 | Very low | 73.8 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 16.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | M80 T114 K242 | M80-A244 HydrophobicContact CE-CB 3.75Å; T114-A244 HydrophobicContact CG2-CB 3.87Å; K242-A244 PolarHBondContact O-N 3.37Å |
| 245 | C | 44.9 | Very low | 71.8 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.081 | 26% | 0.264 | C | S | . | . | trans | -121.1 | 0.3 | 179.3 | -56 | 0 | 0 | 0 | 0 | 114 | R123 K242 | R123-C245 PolarHBondContact NE-O 3.45Å; R123-C245 VanDerWaalsContact NE-O 3.15Å; R123-C245 PolarHBondContact NH2-O 2.96Å; K242-C245 HydrophobicContact CB-CB 3.68Å; K242-C245 HydrophobicContact CD-CB 4.2Å; K242-C245 PolarHBondContact O-N 2.98Å; K242-C245 VanDerWaalsContact O-N 3.15Å | ||
| 246 | E | 39.6 | Very low | 69.5 | Low | 235 Ų | 235 | 50.5 Ų | 50.5 | 100% | 1.098 | 29% | 0.288 | S | S | * | . | trans | -70.5 | 0 | 172.6 | -70.1 | -174.2 | 169.1 | 0 | 0 | 112.3 |
Retrieved 246 of 246 residues in 106 ms
(Link to these results)