| 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 | 42.2 | Very low | 77 | Confident | 231 Ų | 231 | 90.3 Ų | 90.3 | 100% | 1.138 | 48% | 0.48 | S | S | * | . | 0 | 140.2 | 0 | -68 | -174.5 | 175.2 | 0 | 0 | 108 | |||||
| 2 | P | 42.3 | Very low | 78.8 | Confident | 80 Ų | 80 | 85.6 Ų | 85.6 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | trans | -61.1 | 144.7 | 177.8 | 20.1 | -22.8 | 0 | 0 | 0 | 110.4 | G4 E186 | P2-G4 PolarHBondContact O-N 2.85Å; P2-E186 WeakPolarHBondContact CG-OE2 3.48Å | ||
| 3 | K | 45.3 | Very low | 80.2 | Confident | 229 Ų | 229 | 90.3 Ų | 90.3 | 100% | 0.996 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -76.1 | 45 | -177.3 | -76.1 | -178.2 | 169.3 | -179.5 | 0 | 112.8 | ||
| 4 | G | 60.8 | Low | 81.3 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 60% | 0.598 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -136.9 | 156.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P2 | P2-G4 PolarHBondContact O-N 2.85Š|
| 5 | D | 77.1 | Confident | 82.1 | Confident | 155 Ų | 155 | 83.9 Ų | 83.9 | 83% | 0.829 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 142.6 | 173.5 | -66.3 | -36.8 | 0 | 0 | 0 | 110.4 | Q7 | D5-Q7 PolarHBondContact O-N 2.87Š|
| 6 | I | 90.4 | Very high | 82.8 | Confident | 77 Ų | 77 | 82.8 Ų | 82.8 | 40% | 0.395 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 135.4 | 177.3 | -166.1 | 171.7 | 0 | 0 | 0 | 109.6 | A187 E189 T199 | I6-A187 HydrophobicContact CD1-CB 4.28Å; I6-A187 WeakPolarHBondContact CD1-O 3.23Å; I6-A187 WeakPolarHBondContact CG1-O 3.18Å; I6-E189 HydrophobicContact CD1-CB 4.38Å; I6-E189 HydrophobicContact CG2-CB 4.12Å; I6-T199 HydrophobicContact CD1-CG2 4.37Å |
| 7 | Q | 96.4 | Very high | 83.1 | Confident | 35 Ų | 35 | 88.2 Ų | 88.2 | 16% | 0.164 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 145.4 | 174.5 | -63 | -55.2 | -51.6 | 0 | 0 | 109.7 | D5 V26 L65 F72 V188 E189 | D5-Q7 PolarHBondContact O-N 2.87Å; Q7-V26 HydrophobicContact CB-CG2 4.47Å; Q7-V26 HydrophobicContact CG-CG2 4.14Å; Q7-L65 HydrophobicContact CG-CD2 4.43Å; Q7-F72 HydrophobicContact CB-CE2 4.42Å; Q7-V188 HydrophobicContact CB-CG1 4.46Å; Q7-V188 HydrophobicContact CB-CG2 4.17Å; Q7-V188 WeakPolarHBondContact O-CA 3.41Å; Q7-V188 WeakPolarHBondContact O-CG1 3.11Å; Q7-E189 PolarHBondContact O-N 3.3Å |
| 8 | K | 97.9 | Very high | 83.6 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 32% | 0.317 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.6 | -174.8 | 179.7 | 171.2 | -71.8 | -179.4 | 0 | 111.3 | V10 P71 F72 E189 V191 | K8-V10 HydrophobicContact CD-CG2 4.13Å; K8-V10 HydrophobicContact CG-CG2 3.99Å; K8-P71 HydrophobicContact CB-CB 4.14Å; K8-P71 HydrophobicContact CG-CB 4.43Å; K8-F72 WeakPolarHBondContact O-CD2 3.09Å; K8-F72 PolarHBondContact O-N 3Å; K8-E189 CarbonylContact C-O 3.52Å; K8-E189 VanDerWaalsContact CA-O 3.24Å; K8-E189 WeakPolarHBondContact CA-O 3.34Å; K8-E189 WeakPolarHBondContact CE-OE2 3.02Å; K8-E189 IonicContact NZ-OE1 3.62Å; K8-E189 IonicContact NZ-OE2 2.87Å; K8-E189 PolarHBondContact NZ-OE2 3.28Å; K8-E189 VanDerWaalsContact NZ-OE2 3.12Å; K8-V191 HydrophobicContact CD-CG2 4.04Å; K8-V191 HydrophobicContact CG-CG2 4.13Å |
| 9 | L | 98.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.2 | 171.6 | 177.6 | 64.8 | 0 | 0 | 0 | 109.6 | A22 A24 F72 I124 V188 E189 V190 V191 | L9-A22 HydrophobicContact CD2-CB 3.97Å; L9-A24 HydrophobicContact CD2-CB 3.97Å; L9-F72 CarbonylContact C-O 3.58Å; L9-F72 WeakPolarHBondContact CA-O 3.38Å; L9-F72 HydrophobicContact CD1-CB 3.67Å; L9-I124 HydrophobicContact CD1-CG2 4.36Å; L9-V188 HydrophobicContact CB-CG1 4.3Å; L9-E189 PolarHBondContact N-O 2.92Å; L9-V190 HydrophobicContact CB-CG2 4.34Å; L9-V190 CarbonylContact O-C 3.41Å; L9-V190 VanDerWaalsContact O-CA 3.31Å; L9-V190 WeakPolarHBondContact O-CA 3.32Å; L9-V191 PolarHBondContact O-N 3.27Å |
| 10 | V | 98.4 | Very high | 84.7 | Confident | 46 Ų | 46 | 77.4 Ų | 77.4 | 28% | 0.279 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.1 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 110 | K8 F72 T73 Y74 V191 | K8-V10 HydrophobicContact CD-CG2 4.13Å; K8-V10 HydrophobicContact CG-CG2 3.99Å; V10-F72 PolarHBondContact N-O 3.43Å; V10-T73 CarbonylContact O-C 3.52Å; V10-T73 WeakPolarHBondContact O-CA 3.49Å; V10-Y74 PolarHBondContact O-N 3.25Å; V10-V191 HydrophobicContact CG1-CB 4.43Å; V10-V191 HydrophobicContact CG2-CB 4.35Å; V10-V191 HydrophobicContact CG2-CG2 4.45Å |
| 11 | I | 98.4 | Very high | 85.3 | Confident | 9 Ų | 9 | 77.3 Ų | 77.3 | 5% | 0.046 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 129.9 | 177.1 | -53.4 | 176.2 | 0 | 0 | 0 | 108.9 | T15 A22 Y74 V190 V191 P193 | I11-T15 HydrophobicContact CG2-CG2 4.22Å; I11-T15 VanDerWaalsContact CG2-OG1 3.27Å; I11-T15 WeakPolarHBondContact CG2-OG1 3.3Å; I11-A22 HydrophobicContact CD1-CB 3.91Å; I11-A22 HydrophobicContact CG1-CB 4.29Å; I11-Y74 HydrophobicContact CG1-CD1 4.22Å; I11-Y74 HydrophobicContact CG2-CD1 3.94Å; I11-V190 HydrophobicContact CD1-CG1 3.67Å; I11-V190 HydrophobicContact CG1-CG1 4.13Å; I11-V191 WeakPolarHBondContact CB-O 3.49Å; I11-V191 PolarHBondContact N-O 3.31Å; I11-P193 HydrophobicContact CB-CG 4.34Å; I11-P193 HydrophobicContact CG2-CG 3.89Å; I11-P193 WeakPolarHBondContact O-CA 3.35Å |
| 12 | T | 97.9 | Very high | 88 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -101 | 159.3 | -179.4 | 57.8 | 0 | 0 | 0 | 0 | 112 | E14 T15 T73 Y74 T75 | T12-E14 WeakPolarHBondContact CB-OE2 3.38Å; T12-E14 PolarHBondContact O-N 2.85Å; T12-E14 PolarHBondContact OG1-OE2 2.69Å; T12-E14 VanDerWaalsContact OG1-OE2 3.06Å; T12-T15 WeakPolarHBondContact O-CB 3.22Å; T12-T15 PolarHBondContact O-N 3.09Å; T12-T15 PolarHBondContact O-OG1 3.06Å; T12-T73 HydrophobicContact CG2-CG2 3.95Å; T12-Y74 PolarHBondContact N-O 2.89Å; T12-Y74 PolarHBondContact OG1-O 3.24Å; T12-T75 WeakPolarHBondContact OG1-CA 3.31Å; T12-T75 WeakPolarHBondContact OG1-CB 3.34Å; T12-T75 PolarHBondContact OG1-OG1 2.94Å |
| 13 | E | 96.8 | Very high | 90.7 | Very high | 147 Ų | 147 | 62.6 Ų | 62.6 | 69% | 0.687 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -62 | -28.9 | -173.9 | -67.1 | -172.8 | 168.8 | 0 | 0 | 113.6 | T15 A16 P193 | E13-T15 PolarHBondContact O-N 3.24Å; E13-T15 VanDerWaalsContact O-N 3.16Å; E13-A16 VanDerWaalsContact O-CB 3.3Å; E13-A16 WeakPolarHBondContact O-CB 3.36Å; E13-A16 PolarHBondContact O-N 3.5Å; E13-A16 VanDerWaalsContact O-N 3.08Å; E13-P193 HydrophobicContact CG-CB 3.81Å |
| 14 | E | 95.4 | Very high | 93.2 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -60.7 | -28.7 | -179 | -62.2 | 79.9 | -175 | 0 | 0 | 112.1 | T12 A16 K17 A76 L120 | T12-E14 WeakPolarHBondContact CB-OE2 3.38Å; T12-E14 PolarHBondContact O-N 2.85Å; T12-E14 PolarHBondContact OG1-OE2 2.69Å; T12-E14 VanDerWaalsContact OG1-OE2 3.06Å; E14-A16 PolarHBondContact O-N 3.44Å; E14-K17 PolarHBondContact O-N 3.08Å; E14-A76 HydrophobicContact CB-CB 3.98Å; E14-L120 HydrophobicContact CB-CD1 4.2Å |
| 15 | T | 94 | Very high | 95 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.4 | -28.2 | 179 | 65.3 | 0 | 0 | 0 | 0 | 112.5 | I11 T12 E13 K17 V18 R19 Y74 | I11-T15 HydrophobicContact CG2-CG2 4.22Å; I11-T15 VanDerWaalsContact CG2-OG1 3.27Å; I11-T15 WeakPolarHBondContact CG2-OG1 3.3Å; T12-T15 WeakPolarHBondContact O-CB 3.22Å; T12-T15 PolarHBondContact O-N 3.09Å; T12-T15 PolarHBondContact O-OG1 3.06Å; E13-T15 PolarHBondContact O-N 3.24Å; E13-T15 VanDerWaalsContact O-N 3.16Å; T15-K17 PolarHBondContact O-N 2.81Å; T15-K17 VanDerWaalsContact O-N 3.15Å; T15-V18 PolarHBondContact O-N 2.98Å; T15-R19 CarbonylContact O-C 3.2Å; T15-R19 PolarHBondContact O-N 3.15Å; T15-Y74 HydrophobicContact CG2-CD1 3.7Å; T15-Y74 HydrophobicContact CG2-CD2 4.36Å; T15-Y74 HydrophobicContact CG2-CE1 3.76Å; T15-Y74 HydrophobicContact CG2-CE2 4.46Å; T15-Y74 HydrophobicContact CG2-CG 4.01Å; T15-Y74 WeakPolarHBondContact CG2-O 3.28Å |
| 16 | A | 92.8 | Very high | 96 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 54% | 0.537 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -59.5 | -32.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | E13 E14 V18 | E13-A16 VanDerWaalsContact O-CB 3.3Å; E13-A16 WeakPolarHBondContact O-CB 3.36Å; E13-A16 PolarHBondContact O-N 3.5Å; E13-A16 VanDerWaalsContact O-N 3.08Å; E14-A16 PolarHBondContact O-N 3.44Å; A16-V18 VanDerWaalsContact C-N 3.28Å; A16-V18 PolarHBondContact O-N 3.32Å |
| 17 | K | 88.1 | Confident | 96.4 | Very high | 175 Ų | 175 | 37.9 Ų | 37.9 | 76% | 0.761 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -77.3 | -14.4 | -179.1 | -63.8 | 176.4 | -177 | 171.9 | 0 | 113.3 | E14 T15 | E14-K17 PolarHBondContact O-N 3.08Å; T15-K17 PolarHBondContact O-N 2.81Å; T15-K17 VanDerWaalsContact O-N 3.15Å |
| 18 | V | 92.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125 | -58 | -168.9 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | T15 A16 A76 I115 K118 L120 P122 | T15-V18 PolarHBondContact O-N 2.98Å; A16-V18 VanDerWaalsContact C-N 3.28Å; A16-V18 PolarHBondContact O-N 3.32Å; V18-A76 HydrophobicContact CG2-CB 4.44Å; V18-I115 HydrophobicContact CG1-CG2 4.28Å; V18-K118 HydrophobicContact CB-CD 4.06Å; V18-K118 HydrophobicContact CG1-CD 3.47Å; V18-K118 VanDerWaalsContact CG1-CD 3.47Å; V18-K118 HydrophobicContact CG2-CD 4.11Å; V18-K118 PolarHBondContact O-NZ 3.31Å; V18-L120 HydrophobicContact CG2-CB 4.21Å; V18-L120 WeakPolarHBondContact CG2-O 3.38Å; V18-P122 HydrophobicContact CG1-CG 4.06Å |
| 19 | R | 94.7 | Very high | 96.4 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | trans | -157.3 | 87.5 | -173.2 | -166.6 | 171.8 | -167.1 | 94.9 | -1.9 | 107.5 | T15 F21 R55 A56 A59 Y74 T157 G158 T159 | T15-R19 CarbonylContact O-C 3.2Å; T15-R19 PolarHBondContact O-N 3.15Å; R19-F21 VanDerWaalsContact C-N 3.32Å; R19-F21 PolarHBondContact O-N 3Å; R19-R55 PolarHBondContact NH1-O 3Å; R19-R55 PolarHBondContact NH2-O 3.16Å; R19-A56 PolarHBondContact NH1-O 3.13Å; R19-A59 VanDerWaalsContact NH2-N 3.18Å; R19-Y74 WeakPolarHBondContact CB-OH 3.33Å; R19-Y74 WeakPolarHBondContact O-CE1 3.18Å; R19-Y74 PolarHBondContact O-OH 3.16Å; R19-Y74 VanDerWaalsContact O-OH 3.06Å; R19-T157 PolarHBondContact NE-O 2.91Å; R19-T157 PolarHBondContact NE-OG1 2.87Å; R19-T157 PolarHBondContact NH2-O 2.96Å; R19-T157 VanDerWaalsContact NH2-O 3.11Å; R19-G158 CarbonylContact C-O 3.45Å; R19-G158 VanDerWaalsContact CG-C 3.49Å; R19-G158 WeakPolarHBondContact CG-O 3.45Å; R19-T159 HydrophobicContact CG-CG2 4.41Å | ||
| 20 | P | 95.1 | Very high | 96.3 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | trans | -69.7 | -19.8 | -160.2 | 22.5 | -34.4 | 0 | 0 | 0 | 115.7 | ||||
| 21 | F | 97.2 | Very high | 96.2 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 33% | 0.333 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 143.2 | -167.4 | -53.9 | -57.6 | 0 | 0 | 0 | 112.2 | R19 T157 G158 T159 F161 | R19-F21 VanDerWaalsContact C-N 3.32Å; R19-F21 PolarHBondContact O-N 3Å; F21-T157 CarbonylContact O-C 3.57Å; F21-T157 VanDerWaalsContact O-CA 3.28Å; F21-T157 WeakPolarHBondContact O-CA 2.83Å; F21-G158 PolarHBondContact N-O 3.11Å; F21-G158 VanDerWaalsContact N-O 3.1Å; F21-G158 PolarHBondContact O-N 2.81Å; F21-T159 WeakPolarHBondContact CE2-O 2.9Å; F21-F161 HydrophobicContact CB-CB 4.36Å; F21-F161 HydrophobicContact CB-CD2 4.13Å; F21-F161 HydrophobicContact CD1-CB 4.07Å; F21-F161 HydrophobicContact CD1-CD2 4.06Å; F21-F161 HydrophobicContact CD1-CG 4.39Å; F21-F161 HydrophobicContact CD2-CB 3.77Å; F21-F161 HydrophobicContact CE1-CB 4.33Å; F21-F161 HydrophobicContact CE2-CB 4.04Å; F21-F161 HydrophobicContact CG-CB 3.79Å; F21-F161 HydrophobicContact CG-CD2 4.13Å; F21-F161 HydrophobicContact CG-CG 4.42Å; F21-F161 HydrophobicContact CZ-CB 4.32Å |
| 22 | A | 98.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L9 I11 Y74 C156 T157 | L9-A22 HydrophobicContact CD2-CB 3.97Å; I11-A22 HydrophobicContact CD1-CB 3.91Å; I11-A22 HydrophobicContact CG1-CB 4.29Å; A22-Y74 HydrophobicContact CB-CD1 3.59Å; A22-Y74 HydrophobicContact CB-CE1 3.96Å; A22-Y74 HydrophobicContact CB-CG 4.25Å; A22-C156 CarbonylContact C-O 3.55Å; A22-C156 VanDerWaalsContact CA-O 3.29Å; A22-C156 WeakPolarHBondContact CA-O 3.5Å; A22-T157 HydrophobicContact CB-CG2 3.98Å |
| 23 | V | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.3 | 168.4 | -64.2 | 0 | 0 | 0 | 0 | 108.5 | E155 C156 F161 A164 K165 L168 F200 | V23-E155 CarbonylContact O-C 3.56Å; V23-E155 WeakPolarHBondContact O-CA 3.38Å; V23-C156 HydrophobicContact CG2-CB 3.83Å; V23-C156 PolarHBondContact N-O 2.92Å; V23-C156 PolarHBondContact O-N 2.79Å; V23-F161 HydrophobicContact CG1-CD2 4.41Å; V23-F161 HydrophobicContact CG1-CE2 3.87Å; V23-A164 HydrophobicContact CG2-CB 4.02Å; V23-K165 HydrophobicContact CG1-CG 4.11Å; V23-L168 HydrophobicContact CB-CD2 3.97Å; V23-L168 HydrophobicContact CG2-CB 4.02Å; V23-L168 HydrophobicContact CG2-CD2 3.77Å; V23-L168 HydrophobicContact CG2-CG 4.46Å; V23-F200 HydrophobicContact CB-CB 4.5Å; V23-F200 HydrophobicContact CB-CD1 4.09Å; V23-F200 HydrophobicContact CB-CD2 4.36Å; V23-F200 HydrophobicContact CB-CE1 4.45Å; V23-F200 HydrophobicContact CB-CG 4.05Å; V23-F200 HydrophobicContact CG1-CD1 3.79Å; V23-F200 HydrophobicContact CG1-CD2 4.15Å; V23-F200 HydrophobicContact CG1-CE1 3.65Å; V23-F200 HydrophobicContact CG1-CE2 3.99Å; V23-F200 HydrophobicContact CG1-CG 4.04Å; V23-F200 HydrophobicContact CG1-CZ 3.76Å |
| 24 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 162.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L9 F153 I154 E155 V188 F200 | L9-A24 HydrophobicContact CD2-CB 3.97Å; A24-F153 HydrophobicContact CB-CE2 3.88Å; A24-F153 HydrophobicContact CB-CZ 3.74Å; A24-I154 CarbonylContact C-O 3.52Å; A24-I154 WeakPolarHBondContact CA-O 3.37Å; A24-I154 VanDerWaalsContact CB-O 3.28Å; A24-I154 WeakPolarHBondContact CB-O 3.48Å; A24-E155 HydrophobicContact CB-CB 4.13Å; A24-V188 HydrophobicContact CB-CB 4.16Å; A24-V188 HydrophobicContact CB-CG1 3.91Å; A24-V188 HydrophobicContact CB-CG2 4.29Å; A24-F200 CarbonylContact O-C 3.58Å; A24-F200 VanDerWaalsContact O-CB 3.26Å; A24-F200 WeakPolarHBondContact O-CB 3.28Å |
| 25 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 165.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I154 L168 V172 V185 V188 P201 | A25-I154 PolarHBondContact N-O 3.36Å; A25-I154 PolarHBondContact O-N 2.82Å; A25-L168 HydrophobicContact CB-CD1 3.76Å; A25-L168 HydrophobicContact CB-CD2 4.14Å; A25-L168 HydrophobicContact CB-CG 4.15Å; A25-V172 HydrophobicContact CB-CG1 3.7Å; A25-V185 HydrophobicContact CB-CG1 4.01Å; A25-V188 VanDerWaalsContact CA-CG2 3.5Å; A25-P201 HydrophobicContact CB-CG 4.47Å |
| 26 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.6 | 173 | 175.1 | 0 | 0 | 0 | 0 | 111 | Q7 R28 L65 I152 F153 E186 V188 | Q7-V26 HydrophobicContact CB-CG2 4.47Å; Q7-V26 HydrophobicContact CG-CG2 4.14Å; V26-R28 HydrophobicContact CG1-CG 3.97Å; V26-L65 HydrophobicContact CB-CD2 4.46Å; V26-L65 HydrophobicContact CG1-CD2 3.64Å; V26-L65 HydrophobicContact CG2-CD2 3.88Å; V26-I152 VanDerWaalsContact CA-O 3.29Å; V26-I152 WeakPolarHBondContact CA-O 3.45Å; V26-F153 HydrophobicContact CG2-CB 4.5Å; V26-F153 HydrophobicContact CG2-CD2 3.83Å; V26-E186 HydrophobicContact CB-CB 3.9Å; V26-E186 HydrophobicContact CB-CG 4.07Å; V26-E186 HydrophobicContact CG1-CB 4.23Å; V26-E186 HydrophobicContact CG1-CG 4.48Å; V26-E186 PolarHBondContact N-O 3.05Å; V26-E186 PolarHBondContact O-N 3.05Å; V26-V188 HydrophobicContact CG2-CG2 3.85Å |
| 27 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.1 | 164.9 | -65.5 | -178.5 | 0 | 0 | 0 | 108.7 | I30 N151 I152 I154 V172 F175 V185 | L27-I30 HydrophobicContact CD1-CD1 4.38Å; L27-N151 WeakPolarHBondContact O-CA 3.48Å; L27-I152 PolarHBondContact N-O 3.21Å; L27-I152 PolarHBondContact O-N 3.25Å; L27-I154 HydrophobicContact CD1-CD1 3.9Å; L27-I154 HydrophobicContact CG-CD1 4Å; L27-V172 HydrophobicContact CD2-CB 4.17Å; L27-V172 HydrophobicContact CD2-CG1 4.37Å; L27-F175 HydrophobicContact CD1-CB 3.91Å; L27-V185 HydrophobicContact CD2-CB 4.48Å; L27-V185 HydrophobicContact CD2-CG1 4.17Å; L27-V185 HydrophobicContact CD2-CG2 4.03Å |
| 28 | R | 97.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 41.7 Ų | 41.7 | 25% | 0.249 | 20% | 0.198 | C | C | . | . | trans | -94.4 | 141.1 | -178.1 | -72.1 | -66 | -173.6 | -177 | -7.9 | 112.1 | V26 I30 N151 C179 E186 | V26-R28 HydrophobicContact CG1-CG 3.97Å; R28-I30 PolarHBondContact O-N 3.37Å; R28-N151 WeakPolarHBondContact CA-OD1 3.41Å; R28-N151 WeakPolarHBondContact CD-OD1 3.44Å; R28-C179 WeakPolarHBondContact O-CB 3.29Å; R28-E186 WeakPolarHBondContact CD-OE2 3.41Å; R28-E186 HydrophobicContact CG-CB 4.24Å; R28-E186 WeakPolarHBondContact CG-OE2 3.43Å; R28-E186 IonicContact CZ-OE1 2.81Å; R28-E186 IonicContact CZ-OE2 3.53Å; R28-E186 IonicContact NE-OE1 3.54Å; R28-E186 PolarHBondContact NE-OE1 3.1Å; R28-E186 IonicContact NE-OE2 3.56Å; R28-E186 PolarHBondContact NE-OE2 2.91Å; R28-E186 IonicContact NH2-OE1 3.54Å; R28-E186 PolarHBondContact NH2-OE1 3.22Å; R28-E186 IonicContact NH2-OE2 3.38Å | ||
| 29 | N | 97.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 49.9 | 43.4 | 173.9 | -59.6 | -44 | 0 | 0 | 0 | 113.5 | R150 N151 E180 | N29-R150 CarbonylContact C-O 3.57Å; N29-R150 WeakPolarHBondContact CA-O 3.34Å; N29-R150 PolarHBondContact N-O 3.14Å; N29-N151 PolarHBondContact N-OD1 2.96Å; N29-E180 HydrophobicContact CB-CB 3.68Å; N29-E180 PolarHBondContact O-N 2.97Å; N29-E180 VanDerWaalsContact O-N 3.09Å |
| 30 | I | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 139.5 | 175.2 | -163.7 | 165.8 | 0 | 0 | 0 | 110.5 | L27 R28 F32 T149 R150 I152 F175 H178 | L27-I30 HydrophobicContact CD1-CD1 4.38Å; R28-I30 PolarHBondContact O-N 3.37Å; I30-F32 HydrophobicContact CD1-CD1 4.31Å; I30-F32 HydrophobicContact CD1-CE1 3.78Å; I30-F32 HydrophobicContact CD1-CE2 4.39Å; I30-F32 HydrophobicContact CD1-CZ 3.83Å; I30-F32 HydrophobicContact CG1-CE1 4.46Å; I30-F32 HydrophobicContact CG2-CD2 3.97Å; I30-F32 HydrophobicContact CG2-CE2 3.99Å; I30-F32 HydrophobicContact CG2-CG 4.49Å; I30-F32 HydrophobicContact CG2-CZ 4.5Å; I30-T149 WeakPolarHBondContact CG2-O 3.34Å; I30-R150 WeakPolarHBondContact CG2-O 3.31Å; I30-R150 PolarHBondContact N-O 3.05Å; I30-R150 PolarHBondContact O-NH1 3.11Å; I30-I152 HydrophobicContact CD1-CD1 4.04Å; I30-I152 HydrophobicContact CG2-CD1 3.95Å; I30-I152 HydrophobicContact CG2-CG1 4.09Å; I30-F175 HydrophobicContact CD1-CB 4.45Å; I30-H178 HydrophobicContact CG1-CB 4.15Å |
| 31 | K | 95.9 | Very high | 97.7 | Very high | 104 Ų | 104 | 44.3 Ų | 44.3 | 45% | 0.452 | 21% | 0.214 | S | C | . | . | trans | -103.5 | 79.8 | 177.6 | -65.3 | -179.2 | -177.6 | 178.3 | 0 | 109.4 | R36 H178 | K31-R36 WeakPolarHBondContact O-CD 3.42Å; K31-R36 PolarHBondContact O-NH1 3.34Å; K31-H178 PolarHBondContact N-O 3.44Å | ||
| 32 | F | 97.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 10% | 0.096 | 22% | 0.22 | C | C | . | . | trans | -68.3 | 133 | 172.3 | -80.9 | -45.2 | 0 | 0 | 0 | 111.6 | I30 R36 Y37 F40 V147 I152 | I30-F32 HydrophobicContact CD1-CD1 4.31Å; I30-F32 HydrophobicContact CD1-CE1 3.78Å; I30-F32 HydrophobicContact CD1-CE2 4.39Å; I30-F32 HydrophobicContact CD1-CZ 3.83Å; I30-F32 HydrophobicContact CG1-CE1 4.46Å; I30-F32 HydrophobicContact CG2-CD2 3.97Å; I30-F32 HydrophobicContact CG2-CE2 3.99Å; I30-F32 HydrophobicContact CG2-CG 4.49Å; I30-F32 HydrophobicContact CG2-CZ 4.5Å; F32-R36 HydrophobicContact CD1-CB 4.04Å; F32-Y37 HydrophobicContact CD2-CD2 4.27Å; F32-Y37 HydrophobicContact CE2-CD2 4.24Å; F32-F40 HydrophobicContact CE1-CB 3.85Å; F32-F40 HydrophobicContact CE1-CD2 4.35Å; F32-F40 HydrophobicContact CE1-CG 4.07Å; F32-F40 HydrophobicContact CZ-CB 4.11Å; F32-F40 HydrophobicContact CZ-CD1 4.09Å; F32-F40 HydrophobicContact CZ-CD2 4.2Å; F32-F40 AromaticContact CZ-CG 3.88Å; F32-F40 HydrophobicContact CZ-CG 3.88Å; F32-V147 HydrophobicContact CB-CG1 4.41Å; F32-V147 WeakPolarHBondContact CB-O 3.27Å; F32-I152 HydrophobicContact CE2-CD1 3.5Å; F32-I152 HydrophobicContact CE2-CG1 4.42Å; F32-I152 HydrophobicContact CZ-CD1 3.52Å | ||
| 33 | T | 97.2 | Very high | 97.7 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 36% | 0.362 | 23% | 0.226 | S | C | . | . | trans | -102.8 | 172 | 153.5 | 64.1 | 0 | 0 | 0 | 0 | 107.4 | D35 R36 Y37 | T33-D35 VanDerWaalsContact C-N 3.3Å; T33-D35 PolarHBondContact O-N 3.38Å; T33-R36 PolarHBondContact O-N 2.61Å; T33-R36 WeakPolarHBondContact OG1-CG 3.37Å; T33-R36 PolarHBondContact OG1-N 3.12Å; T33-Y37 WeakPolarHBondContact O-CB 3.27Å; T33-Y37 PolarHBondContact O-N 2.92Å | ||
| 34 | K | 97.4 | Very high | 97.6 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 50% | 0.504 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -54.9 | -48 | 175 | -179.4 | 52.9 | 174.3 | 147.1 | 0 | 111.7 | R36 Y37 D38 V147 | K34-R36 PolarHBondContact O-N 3.12Å; K34-Y37 PolarHBondContact O-N 2.83Å; K34-D38 WeakPolarHBondContact CD-OD2 3.38Å; K34-D38 WeakPolarHBondContact CE-OD2 3.36Å; K34-D38 IonicContact NZ-OD1 2.63Å; K34-D38 PolarHBondContact NZ-OD1 2.87Å; K34-D38 IonicContact NZ-OD2 2.83Å; K34-D38 PolarHBondContact NZ-OD2 2.75Å; K34-D38 PolarHBondContact O-N 2.96Å; K34-V147 HydrophobicContact CD-CG2 4.34Å |
| 35 | D | 97.9 | Very high | 97.5 | Very high | 127 Ų | 127 | 51.8 Ų | 51.8 | 68% | 0.679 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | -179.8 | -53.4 | -33.7 | 0 | 0 | 0 | 112.5 | T33 D38 S39 | T33-D35 VanDerWaalsContact C-N 3.3Å; T33-D35 PolarHBondContact O-N 3.38Å; D35-D38 PolarHBondContact O-N 2.8Å; D35-S39 VanDerWaalsContact O-CB 3.24Å; D35-S39 WeakPolarHBondContact O-CB 3.16Å; D35-S39 PolarHBondContact O-N 2.81Å |
| 36 | R | 97.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 177.8 | -69 | 172.4 | -176.5 | 167.8 | 1.5 | 111.9 | K31 F32 T33 K34 F40 | K31-R36 WeakPolarHBondContact O-CD 3.42Å; K31-R36 PolarHBondContact O-NH1 3.34Å; F32-R36 HydrophobicContact CD1-CB 4.04Å; T33-R36 PolarHBondContact O-N 2.61Å; T33-R36 WeakPolarHBondContact OG1-CG 3.37Å; T33-R36 PolarHBondContact OG1-N 3.12Å; K34-R36 PolarHBondContact O-N 3.12Å; R36-F40 WeakPolarHBondContact O-CB 3.44Å; R36-F40 PolarHBondContact O-N 3.04Å |
| 37 | Y | 98.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 175.8 | 172.9 | -89.7 | 0 | 0 | 0 | 110.8 | F32 T33 K34 S39 F40 I41 I145 V147 | F32-Y37 HydrophobicContact CD2-CD2 4.27Å; F32-Y37 HydrophobicContact CE2-CD2 4.24Å; T33-Y37 WeakPolarHBondContact O-CB 3.27Å; T33-Y37 PolarHBondContact O-N 2.92Å; K34-Y37 PolarHBondContact O-N 2.83Å; Y37-S39 VanDerWaalsContact C-N 3.33Å; Y37-S39 PolarHBondContact O-N 2.89Å; Y37-F40 WeakPolarHBondContact O-CB 3.17Å; Y37-F40 PolarHBondContact O-N 2.98Å; Y37-I41 HydrophobicContact CD1-CG1 4.41Å; Y37-I41 HydrophobicContact CE1-CG1 3.91Å; Y37-I41 HydrophobicContact CE2-CD1 4.39Å; Y37-I41 HydrophobicContact CE2-CG1 4.32Å; Y37-I41 WeakPolarHBondContact O-CG1 3.37Å; Y37-I41 PolarHBondContact O-N 3.26Å; Y37-I145 HydrophobicContact CE2-CD1 4.16Å; Y37-I145 HydrophobicContact CE2-CG1 4.11Å; Y37-I145 PolarHBondContact OH-O 3.27Å; Y37-V147 HydrophobicContact CD1-CG2 4.01Å; Y37-V147 HydrophobicContact CD2-CG2 4.34Å; Y37-V147 HydrophobicContact CG-CG2 3.84Å |
| 38 | D | 97.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 58 Ų | 58 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 178.8 | -69.2 | -20.8 | 0 | 0 | 0 | 111.1 | K34 D35 F40 I41 E42 | K34-D38 WeakPolarHBondContact CD-OD2 3.38Å; K34-D38 WeakPolarHBondContact CE-OD2 3.36Å; K34-D38 IonicContact NZ-OD1 2.63Å; K34-D38 PolarHBondContact NZ-OD1 2.87Å; K34-D38 IonicContact NZ-OD2 2.83Å; K34-D38 PolarHBondContact NZ-OD2 2.75Å; K34-D38 PolarHBondContact O-N 2.96Å; D35-D38 PolarHBondContact O-N 2.8Å; D38-F40 VanDerWaalsContact C-N 3.32Å; D38-F40 PolarHBondContact O-N 2.82Å; D38-I41 PolarHBondContact O-N 3.06Å; D38-E42 WeakPolarHBondContact O-CB 3.24Å; D38-E42 PolarHBondContact O-N 3.02Å |
| 39 | S | 98.1 | Very high | 97.2 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -38 | 173.4 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | D35 Y37 E42 L43 | D35-S39 VanDerWaalsContact O-CB 3.24Å; D35-S39 WeakPolarHBondContact O-CB 3.16Å; D35-S39 PolarHBondContact O-N 2.81Å; Y37-S39 VanDerWaalsContact C-N 3.33Å; Y37-S39 PolarHBondContact O-N 2.89Å; S39-E42 PolarHBondContact O-N 2.82Å; S39-L43 WeakPolarHBondContact O-CB 3.1Å; S39-L43 PolarHBondContact O-N 2.71Å |
| 40 | F | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 176.6 | -175.9 | -94.4 | 0 | 0 | 0 | 111.9 | F32 R36 Y37 D38 E42 L43 Q44 T62 I145 I152 I154 I171 F175 | F32-F40 HydrophobicContact CE1-CB 3.85Å; F32-F40 HydrophobicContact CE1-CD2 4.35Å; F32-F40 HydrophobicContact CE1-CG 4.07Å; F32-F40 HydrophobicContact CZ-CB 4.11Å; F32-F40 HydrophobicContact CZ-CD1 4.09Å; F32-F40 HydrophobicContact CZ-CD2 4.2Å; F32-F40 AromaticContact CZ-CG 3.88Å; F32-F40 HydrophobicContact CZ-CG 3.88Å; R36-F40 WeakPolarHBondContact O-CB 3.44Å; R36-F40 PolarHBondContact O-N 3.04Å; Y37-F40 WeakPolarHBondContact O-CB 3.17Å; Y37-F40 PolarHBondContact O-N 2.98Å; D38-F40 VanDerWaalsContact C-N 3.32Å; D38-F40 PolarHBondContact O-N 2.82Å; F40-E42 VanDerWaalsContact C-N 3.34Å; F40-L43 PolarHBondContact O-N 3.1Å; F40-Q44 PolarHBondContact O-N 3.49Å; F40-Q44 VanDerWaalsContact O-N 3.15Å; F40-T62 HydrophobicContact CE1-CG2 3.67Å; F40-T62 HydrophobicContact CZ-CG2 3.85Å; F40-I145 HydrophobicContact CD1-CD1 3.99Å; F40-I145 HydrophobicContact CE1-CD1 3.78Å; F40-I152 HydrophobicContact CE1-CD1 4.44Å; F40-I152 HydrophobicContact CE2-CD1 4.42Å; F40-I152 HydrophobicContact CZ-CD1 4.11Å; F40-I152 HydrophobicContact CZ-CG2 4.5Å; F40-I154 HydrophobicContact CZ-CD1 4.42Å; F40-I171 HydrophobicContact CE2-CG2 3.76Å; F40-I171 HydrophobicContact CZ-CG2 4.11Å; F40-F175 HydrophobicContact CB-CD1 4.21Å; F40-F175 HydrophobicContact CB-CE1 3.6Å; F40-F175 HydrophobicContact CB-CE2 4.29Å; F40-F175 HydrophobicContact CB-CZ 3.67Å; F40-F175 HydrophobicContact CD2-CB 4.19Å; F40-F175 AromaticContact CD2-CD1 3.58Å; F40-F175 HydrophobicContact CD2-CD1 3.58Å; F40-F175 AromaticContact CD2-CD2 3.61Å; F40-F175 HydrophobicContact CD2-CD2 3.61Å; F40-F175 AromaticContact CD2-CE1 3.8Å; F40-F175 HydrophobicContact CD2-CE1 3.8Å; F40-F175 AromaticContact CD2-CE2 3.81Å; F40-F175 HydrophobicContact CD2-CE2 3.81Å; F40-F175 AromaticContact CD2-CG 3.5Å; F40-F175 HydrophobicContact CD2-CG 3.5Å; F40-F175 VanDerWaalsContact CD2-CG 3.5Å; F40-F175 AromaticContact CD2-CZ 3.93Å; F40-F175 HydrophobicContact CD2-CZ 3.93Å; F40-F175 HydrophobicContact CE2-CB 4.3Å; F40-F175 HydrophobicContact CE2-CD1 4.47Å; F40-F175 HydrophobicContact CE2-CD2 4.16Å; F40-F175 HydrophobicContact CE2-CG 4.05Å; F40-F175 HydrophobicContact CG-CD1 4.37Å; F40-F175 HydrophobicContact CG-CE1 4.21Å; F40-F175 HydrophobicContact CG-CE2 4.48Å; F40-F175 HydrophobicContact CG-CZ 4.28Å |
| 41 | I | 97.2 | Very high | 97.1 | Very high | 42 Ų | 42 | 65 Ų | 65 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.1 | -60.3 | -60.1 | 0 | 0 | 0 | 110.6 | Y37 D38 L43 Q44 E45 I145 | Y37-I41 HydrophobicContact CD1-CG1 4.41Å; Y37-I41 HydrophobicContact CE1-CG1 3.91Å; Y37-I41 HydrophobicContact CE2-CD1 4.39Å; Y37-I41 HydrophobicContact CE2-CG1 4.32Å; Y37-I41 WeakPolarHBondContact O-CG1 3.37Å; Y37-I41 PolarHBondContact O-N 3.26Å; D38-I41 PolarHBondContact O-N 3.06Å; I41-L43 PolarHBondContact O-N 2.82Å; I41-Q44 WeakPolarHBondContact O-CB 3.33Å; I41-Q44 PolarHBondContact O-N 3.11Å; I41-E45 PolarHBondContact O-N 2.79Å; I41-I145 HydrophobicContact CD1-CD1 3.8Å; I41-I145 HydrophobicContact CD1-CG1 4.47Å |
| 42 | E | 97.8 | Very high | 97.1 | Very high | 95 Ų | 95 | 60 Ų | 60 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 178.6 | -168.1 | -171.4 | 166.4 | 0 | 0 | 112.1 | D38 S39 F40 Q44 E45 K46 | D38-E42 WeakPolarHBondContact O-CB 3.24Å; D38-E42 PolarHBondContact O-N 3.02Å; S39-E42 PolarHBondContact O-N 2.82Å; F40-E42 VanDerWaalsContact C-N 3.34Å; E42-Q44 VanDerWaalsContact C-N 3.35Å; E42-Q44 PolarHBondContact O-N 3.26Å; E42-E45 PolarHBondContact O-N 3.26Å; E42-K46 HydrophobicContact CG-CD 4.24Å; E42-K46 WeakPolarHBondContact O-CB 3.38Å; E42-K46 WeakPolarHBondContact O-CG 3.35Å; E42-K46 PolarHBondContact O-N 2.95Å; E42-K46 WeakPolarHBondContact OE1-CE 3.41Å; E42-K46 IonicContact OE1-NZ 3.63Å; E42-K46 PolarHBondContact OE1-NZ 3.44Å |
| 43 | L | 97.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 67.4 Ų | 67.4 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 174.6 | 178.3 | 64.4 | 0 | 0 | 0 | 110.8 | S39 F40 I41 E45 K46 L47 I170 I171 M174 F175 | S39-L43 WeakPolarHBondContact O-CB 3.1Å; S39-L43 PolarHBondContact O-N 2.71Å; F40-L43 PolarHBondContact O-N 3.1Å; I41-L43 PolarHBondContact O-N 2.82Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.29Å; L43-K46 PolarHBondContact O-N 2.93Å; L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.07Å; L43-L47 HydrophobicContact CD2-CD1 4.46Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 HydrophobicContact CG-CG 4.33Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 2.88Å; L43-L47 PolarHBondContact O-N 3.49Å; L43-I170 HydrophobicContact CD2-CG2 4.48Å; L43-I171 HydrophobicContact CD2-CG1 4.47Å; L43-M174 HydrophobicContact CD1-CE 4.32Å; L43-M174 HydrophobicContact CD1-SD 3.94Å; L43-M174 HydrophobicContact CD2-CB 4.26Å; L43-M174 HydrophobicContact CD2-CE 4.2Å; L43-M174 HydrophobicContact CD2-SD 3.59Å; L43-M174 VanDerWaalsContact CD2-SD 3.59Å; L43-M174 HydrophobicContact CG-SD 4.45Å; L43-F175 HydrophobicContact CB-CE2 4.27Å; L43-F175 HydrophobicContact CD2-CD2 4.04Å; L43-F175 HydrophobicContact CD2-CE2 3.59Å |
| 44 | Q | 96.9 | Very high | 97 | Very high | 26 Ų | 26 | 71.1 Ų | 71.1 | 12% | 0.121 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 177.3 | -178.4 | -177.2 | -13 | 0 | 0 | 111.4 | F40 I41 E42 L47 H48 I60 | F40-Q44 PolarHBondContact O-N 3.49Å; F40-Q44 VanDerWaalsContact O-N 3.15Å; I41-Q44 WeakPolarHBondContact O-CB 3.33Å; I41-Q44 PolarHBondContact O-N 3.11Å; E42-Q44 VanDerWaalsContact C-N 3.35Å; E42-Q44 PolarHBondContact O-N 3.26Å; Q44-L47 PolarHBondContact O-N 2.84Å; Q44-H48 WeakPolarHBondContact O-CB 3.48Å; Q44-H48 PolarHBondContact O-N 2.96Å; Q44-I60 HydrophobicContact CG-CB 4.1Å; Q44-I60 HydrophobicContact CG-CD1 4.04Å; Q44-I60 HydrophobicContact CG-CG2 4.23Å; Q44-I60 PolarHBondContact NE2-O 2.74Å; Q44-I60 VanDerWaalsContact NE2-O 3.1Å |
| 45 | E | 95.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 67.1 Ų | 67.1 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 177.7 | -71.2 | -172.2 | 177.7 | 0 | 0 | 112.5 | I41 E42 L43 L47 H48 Q49 | I41-E45 PolarHBondContact O-N 2.79Å; E42-E45 PolarHBondContact O-N 3.26Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.29Å; E45-L47 PolarHBondContact O-N 3.17Å; E45-H48 WeakPolarHBondContact O-CB 3.24Å; E45-H48 PolarHBondContact O-N 2.81Å; E45-Q49 WeakPolarHBondContact O-CG 3.4Å; E45-Q49 PolarHBondContact O-N 3.03Å |
| 46 | K | 97.7 | Very high | 96.8 | Very high | 107 Ų | 107 | 62.9 Ų | 62.9 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.8 | -79.7 | 175.3 | 168.4 | 167.1 | 0 | 112.2 | E42 L43 Q49 N50 | E42-K46 HydrophobicContact CG-CD 4.24Å; E42-K46 WeakPolarHBondContact O-CB 3.38Å; E42-K46 WeakPolarHBondContact O-CG 3.35Å; E42-K46 PolarHBondContact O-N 2.95Å; E42-K46 WeakPolarHBondContact OE1-CE 3.41Å; E42-K46 IonicContact OE1-NZ 3.63Å; E42-K46 PolarHBondContact OE1-NZ 3.44Å; L43-K46 PolarHBondContact O-N 2.93Å; K46-Q49 PolarHBondContact O-N 3.14Å; K46-N50 WeakPolarHBondContact O-CB 3.2Å; K46-N50 PolarHBondContact O-N 2.96Å; K46-N50 VanDerWaalsContact O-N 3.1Å; K46-N50 PolarHBondContact O-ND2 3.16Å; K46-N50 VanDerWaalsContact O-ND2 3.16Å |
| 47 | L | 97.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.5 | -68.4 | 172.9 | 0 | 0 | 0 | 111 | L43 Q44 E45 Q49 N50 I51 C52 I60 V167 I170 I171 | L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.07Å; L43-L47 HydrophobicContact CD2-CD1 4.46Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 HydrophobicContact CG-CG 4.33Å; L43-L47 WeakPolarHBondContact O-CB 3.47Å; L43-L47 VanDerWaalsContact O-CG 3.29Å; L43-L47 WeakPolarHBondContact O-CG 2.88Å; L43-L47 PolarHBondContact O-N 3.49Å; Q44-L47 PolarHBondContact O-N 2.84Å; E45-L47 PolarHBondContact O-N 3.17Å; L47-Q49 VanDerWaalsContact C-N 3.34Å; L47-Q49 PolarHBondContact O-N 3.2Å; L47-N50 PolarHBondContact O-N 2.79Å; L47-I51 HydrophobicContact CB-CG2 4.25Å; L47-I51 HydrophobicContact CD2-CG2 3.79Å; L47-I51 PolarHBondContact O-N 2.8Å; L47-C52 WeakPolarHBondContact O-CB 3.39Å; L47-C52 PolarHBondContact O-N 3.15Å; L47-C52 PolarHBondContact O-SG 3.27Å; L47-I60 HydrophobicContact CB-CD1 3.92Å; L47-I60 HydrophobicContact CD1-CD1 4.23Å; L47-V167 HydrophobicContact CD1-CG1 4.34Å; L47-I170 HydrophobicContact CD1-CG2 4.07Å; L47-I170 HydrophobicContact CD2-CD1 4.28Å; L47-I170 HydrophobicContact CD2-CG2 4.33Å; L47-I171 HydrophobicContact CD1-CD1 4.18Å; L47-I171 HydrophobicContact CD1-CG1 3.73Å |
| 48 | H | 96.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.023 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -44.2 | 175.5 | -81.4 | 179 | 0 | 0 | 0 | 112.5 | Q44 E45 C52 K54 R55 I60 | Q44-H48 WeakPolarHBondContact O-CB 3.48Å; Q44-H48 PolarHBondContact O-N 2.96Å; E45-H48 WeakPolarHBondContact O-CB 3.24Å; E45-H48 PolarHBondContact O-N 2.81Å; H48-C52 WeakPolarHBondContact O-CB 3.38Å; H48-K54 WeakPolarHBondContact O-CA 3.48Å; H48-K54 PolarHBondContact O-N 2.96Å; H48-R55 HydrophobicContact CB-CG 3.97Å; H48-R55 PolarHBondContact ND1-NE 2.84Å; H48-R55 PolarHBondContact O-N 3Å; H48-I60 PolarHBondContact CE1-O 3.11Å; H48-I60 VanDerWaalsContact NE2-CB 3.26Å; H48-I60 WeakPolarHBondContact NE2-CB 3.19Å; H48-I60 WeakPolarHBondContact NE2-CG1 3.27Å; H48-I60 PolarHBondContact NE2-N 3.49Å; H48-I60 PolarHBondContact NE2-O 3.06Å |
| 49 | Q | 94.4 | Very high | 96.8 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | -178.8 | -70.5 | 178.1 | 12.8 | 0 | 0 | 112.3 | E45 K46 L47 | E45-Q49 WeakPolarHBondContact O-CG 3.4Å; E45-Q49 PolarHBondContact O-N 3.03Å; K46-Q49 PolarHBondContact O-N 3.14Å; L47-Q49 VanDerWaalsContact C-N 3.34Å; L47-Q49 PolarHBondContact O-N 3.2Å |
| 50 | N | 95.2 | Very high | 96.8 | Very high | 117 Ų | 117 | 53.1 Ų | 53.1 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -93.3 | -172.6 | -66.6 | -48 | 0 | 0 | 0 | 113.3 | K46 L47 C52 R53 | K46-N50 WeakPolarHBondContact O-CB 3.2Å; K46-N50 PolarHBondContact O-N 2.96Å; K46-N50 VanDerWaalsContact O-N 3.1Å; K46-N50 PolarHBondContact O-ND2 3.16Å; K46-N50 VanDerWaalsContact O-ND2 3.16Å; L47-N50 PolarHBondContact O-N 2.79Å; N50-C52 PolarHBondContact O-N 2.72Å; N50-C52 VanDerWaalsContact O-N 3.11Å; N50-R53 WeakPolarHBondContact O-CA 3.43Å; N50-R53 PolarHBondContact O-N 2.79Å |
| 51 | I | 96.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 53 Ų | 53 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.3 | -171.2 | -168.2 | 170.5 | 0 | 0 | 0 | 112.9 | L47 R53 I166 V167 | L47-I51 HydrophobicContact CB-CG2 4.25Å; L47-I51 HydrophobicContact CD2-CG2 3.79Å; L47-I51 PolarHBondContact O-N 2.8Å; I51-R53 VanDerWaalsContact C-N 3.32Å; I51-I166 HydrophobicContact CD1-CG2 4.03Å; I51-V167 HydrophobicContact CG2-CG2 3.68Å |
| 52 | C | 96.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6.9 | 177.3 | -61 | 0 | 0 | 0 | 0 | 114 | L47 H48 N50 R55 A56 L57 V58 | L47-C52 WeakPolarHBondContact O-CB 3.39Å; L47-C52 PolarHBondContact O-N 3.15Å; L47-C52 PolarHBondContact O-SG 3.27Å; H48-C52 WeakPolarHBondContact O-CB 3.38Å; N50-C52 PolarHBondContact O-N 2.72Å; N50-C52 VanDerWaalsContact O-N 3.11Å; C52-R55 CarbonylContact O-C 3.43Å; C52-R55 PolarHBondContact O-N 2.89Å; C52-A56 PolarHBondContact O-N 3.25Å; C52-L57 PolarHBondContact O-N 3.03Å; C52-V58 HydrophobicContact CB-CB 4.21Å; C52-V58 VanDerWaalsContact CB-O 3.24Å; C52-V58 WeakPolarHBondContact CB-O 3.44Å |
| 53 | R | 96 | Very high | 96.9 | Very high | 176 Ų | 176 | 46.9 Ų | 46.9 | 66% | 0.664 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 65.1 | -174.3 | -62.8 | -172.8 | 70.3 | -168.4 | 0.7 | 113 | N50 I51 R55 A56 L57 | N50-R53 WeakPolarHBondContact O-CA 3.43Å; N50-R53 PolarHBondContact O-N 2.79Å; I51-R53 VanDerWaalsContact C-N 3.32Å; R53-R55 VanDerWaalsContact C-N 3.29Å; R53-R55 PolarHBondContact O-N 2.99Å; R53-A56 HydrophobicContact CB-CB 4.42Å; R53-A56 WeakPolarHBondContact O-CB 3.32Å; R53-A56 PolarHBondContact O-N 3.39Å; R53-L57 HydrophobicContact CB-CD1 4.4Å; R53-L57 HydrophobicContact CB-CG 4.29Å; R53-L57 HydrophobicContact CG-CD1 3.88Å; R53-L57 HydrophobicContact CG-CG 4.3Å |
| 54 | K | 95.3 | Very high | 96.9 | Very high | 137 Ų | 137 | 46.5 Ų | 46.5 | 60% | 0.596 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 50.1 | -176.9 | -62.8 | -175.5 | 179.9 | -176.7 | 0 | 111.5 | H48 A56 Y111 | H48-K54 WeakPolarHBondContact O-CA 3.48Å; H48-K54 PolarHBondContact O-N 2.96Å; K54-A56 PolarHBondContact O-N 2.83Å; K54-Y111 HydrophobicContact CB-CE1 3.9Å; K54-Y111 WeakPolarHBondContact O-CD1 3.33Å; K54-Y111 WeakPolarHBondContact O-CE1 3.43Å |
| 55 | R | 96.8 | Very high | 96.9 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 0.8 | -177.2 | -49.6 | -179.3 | -175.5 | 168.1 | 5.3 | 116.8 | R19 H48 C52 R53 L57 V58 A59 Y111 I114 P136 I137 | R19-R55 PolarHBondContact NH1-O 3Å; R19-R55 PolarHBondContact NH2-O 3.16Å; H48-R55 HydrophobicContact CB-CG 3.97Å; H48-R55 PolarHBondContact ND1-NE 2.84Å; H48-R55 PolarHBondContact O-N 3Å; C52-R55 CarbonylContact O-C 3.43Å; C52-R55 PolarHBondContact O-N 2.89Å; R53-R55 VanDerWaalsContact C-N 3.29Å; R53-R55 PolarHBondContact O-N 2.99Å; R55-L57 PolarHBondContact O-N 2.82Å; R55-V58 VanDerWaalsContact CA-O 3.23Å; R55-V58 WeakPolarHBondContact CA-O 3.31Å; R55-A59 HydrophobicContact CB-CB 4.36Å; R55-Y111 HydrophobicContact CB-CD1 4.19Å; R55-Y111 HydrophobicContact CB-CE1 4.42Å; R55-Y111 HydrophobicContact CG-CD1 4.15Å; R55-Y111 HydrophobicContact CG-CE1 4Å; R55-I114 HydrophobicContact CB-CD1 4.34Å; R55-P136 HydrophobicContact CB-CB 4Å; R55-P136 WeakPolarHBondContact CD-O 3.14Å; R55-P136 PolarHBondContact NH1-O 2.63Å; R55-I137 PolarHBondContact NH1-O 3.03Å |
| 56 | A | 95.9 | Very high | 97 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 32% | 0.322 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -45.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R19 C52 R53 K54 | R19-A56 PolarHBondContact NH1-O 3.13Å; C52-A56 PolarHBondContact O-N 3.25Å; R53-A56 HydrophobicContact CB-CB 4.42Å; R53-A56 WeakPolarHBondContact O-CB 3.32Å; R53-A56 PolarHBondContact O-N 3.39Å; K54-A56 PolarHBondContact O-N 2.83Å |
| 57 | L | 97.1 | Very high | 97 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -87 | -43.2 | -177.7 | -62.2 | -177.7 | 0 | 0 | 0 | 113.1 | C52 R53 R55 G158 T159 D160 K163 | C52-L57 PolarHBondContact O-N 3.03Å; R53-L57 HydrophobicContact CB-CD1 4.4Å; R53-L57 HydrophobicContact CB-CG 4.29Å; R53-L57 HydrophobicContact CG-CD1 3.88Å; R53-L57 HydrophobicContact CG-CG 4.3Å; R55-L57 PolarHBondContact O-N 2.82Å; L57-G158 CarbonylContact O-C 3.57Å; L57-G158 WeakPolarHBondContact O-CA 3.21Å; L57-T159 PolarHBondContact O-N 3.46Å; L57-D160 HydrophobicContact CB-CB 4.48Å; L57-K163 HydrophobicContact CB-CD 4.4Å; L57-K163 HydrophobicContact CD1-CD 3.58Å |
| 58 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137.6 | -176.8 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | C52 R55 C156 T157 K163 A164 V167 | C52-V58 HydrophobicContact CB-CB 4.21Å; C52-V58 VanDerWaalsContact CB-O 3.24Å; C52-V58 WeakPolarHBondContact CB-O 3.44Å; R55-V58 VanDerWaalsContact CA-O 3.23Å; R55-V58 WeakPolarHBondContact CA-O 3.31Å; V58-C156 HydrophobicContact CG1-CB 4.08Å; V58-T157 CarbonylContact C-O 3.49Å; V58-T157 WeakPolarHBondContact CA-O 3.44Å; V58-K163 HydrophobicContact CG2-CB 3.69Å; V58-A164 HydrophobicContact CG1-CB 4.33Å; V58-A164 HydrophobicContact CG2-CB 4.11Å; V58-V167 HydrophobicContact CG1-CB 4.22Å; V58-V167 HydrophobicContact CG1-CG1 4.18Å; V58-V167 HydrophobicContact CG1-CG2 4.34Å |
| 59 | A | 97.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | R19 R55 P136 C156 T157 | R19-A59 VanDerWaalsContact NH2-N 3.18Å; R55-A59 HydrophobicContact CB-CB 4.36Å; A59-P136 HydrophobicContact CB-CB 3.53Å; A59-C156 CarbonylContact O-C 3.59Å; A59-C156 WeakPolarHBondContact O-CA 3.23Å; A59-T157 PolarHBondContact N-O 2.98Å; A59-T157 PolarHBondContact O-N 3.24Å |
| 60 | I | 98.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.3 | -179 | -48.8 | 155.1 | 0 | 0 | 0 | 107.3 | Q44 L47 H48 T62 I154 E155 V167 I171 | Q44-I60 HydrophobicContact CG-CB 4.1Å; Q44-I60 HydrophobicContact CG-CD1 4.04Å; Q44-I60 HydrophobicContact CG-CG2 4.23Å; Q44-I60 PolarHBondContact NE2-O 2.74Å; Q44-I60 VanDerWaalsContact NE2-O 3.1Å; L47-I60 HydrophobicContact CB-CD1 3.92Å; L47-I60 HydrophobicContact CD1-CD1 4.23Å; H48-I60 PolarHBondContact CE1-O 3.11Å; H48-I60 VanDerWaalsContact NE2-CB 3.26Å; H48-I60 WeakPolarHBondContact NE2-CB 3.19Å; H48-I60 WeakPolarHBondContact NE2-CG1 3.27Å; H48-I60 PolarHBondContact NE2-N 3.49Å; H48-I60 PolarHBondContact NE2-O 3.06Å; I60-T62 HydrophobicContact CG2-CG2 4.18Å; I60-I154 HydrophobicContact CG2-CG2 4.21Å; I60-E155 CarbonylContact C-O 3.57Å; I60-E155 WeakPolarHBondContact CA-O 3.32Å; I60-V167 HydrophobicContact CD1-CG1 3.47Å; I60-V167 VanDerWaalsContact CD1-CG1 3.47Å; I60-V167 HydrophobicContact CG1-CG1 3.45Å; I60-V167 VanDerWaalsContact CG1-CG1 3.45Å; I60-I171 HydrophobicContact CB-CD1 4.44Å; I60-I171 HydrophobicContact CD1-CD1 3.71Å; I60-I171 HydrophobicContact CG1-CD1 4.05Å; I60-I171 HydrophobicContact CG2-CD1 3.56Å |
| 61 | G | 97.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 155 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E155 | G61-E155 VanDerWaalsContact CA-CD 3.46Å; G61-E155 VanDerWaalsContact CA-OE1 3.32Å; G61-E155 WeakPolarHBondContact CA-OE1 3.47Å; G61-E155 VanDerWaalsContact CA-OE2 3.25Å; G61-E155 WeakPolarHBondContact CA-OE2 3.36Å; G61-E155 PolarHBondContact N-O 2.85Å; G61-E155 PolarHBondContact O-N 2.8Å; G61-E155 VanDerWaalsContact O-N 3.16Å |
| 62 | T | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 123.6 | -177.3 | 58.2 | 0 | 0 | 0 | 0 | 106.3 | F40 I60 I145 I154 | F40-T62 HydrophobicContact CE1-CG2 3.67Å; F40-T62 HydrophobicContact CZ-CG2 3.85Å; I60-T62 HydrophobicContact CG2-CG2 4.18Å; T62-I145 WeakPolarHBondContact OG1-CD1 3.29Å; T62-I154 HydrophobicContact CG2-CG1 4.47Å; T62-I154 HydrophobicContact CG2-CG2 4.46Å |
| 63 | H | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138 | -166.1 | -63.1 | -79.8 | 0 | 0 | 0 | 109.8 | L65 L68 L132 S143 I152 F153 E155 | H63-L65 PolarHBondContact O-N 2.94Å; H63-L65 VanDerWaalsContact O-N 3.14Å; H63-L68 HydrophobicContact CB-CD1 3.75Å; H63-L132 PolarHBondContact CE1-O 3.26Å; H63-S143 VanDerWaalsContact CA-O 3.31Å; H63-S143 WeakPolarHBondContact CA-O 3.43Å; H63-S143 WeakPolarHBondContact ND1-CB 3.11Å; H63-S143 PolarHBondContact ND1-OG 3.38Å; H63-I152 CarbonylContact O-C 3.55Å; H63-I152 WeakPolarHBondContact O-CA 3.45Å; H63-F153 HydrophobicContact CB-CB 4.27Å; H63-F153 HydrophobicContact CB-CD1 4.37Å; H63-F153 PolarHBondContact N-O 2.93Å; H63-F153 PolarHBondContact O-N 3.25Å; H63-E155 IonicContact CD2-OE1 2.71Å; H63-E155 IonicContact CD2-OE2 2.92Å; H63-E155 PolarHBondContact CD2-OE2 3.14Å; H63-E155 IonicContact CE1-OE1 3.67Å; H63-E155 VanDerWaalsContact NE2-CD 3.27Å; H63-E155 IonicContact NE2-OE1 3.95Å; H63-E155 PolarHBondContact NE2-OE1 3.45Å; H63-E155 IonicContact NE2-OE2 2.88Å; H63-E155 PolarHBondContact NE2-OE2 2.73Å |
| 64 | D | 98.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 31.1 Ų | 31.1 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 108.7 | 166.1 | -163.2 | -32.3 | 0 | 0 | 0 | 108.2 | D66 T67 S143 I145 T149 | D64-D66 PolarHBondContact O-N 2.92Å; D64-D66 WeakPolarHBondContact OD1-CB 3.47Å; D64-D66 PolarHBondContact OD1-N 3.03Å; D64-D66 VanDerWaalsContact OD1-N 3.09Å; D64-T67 HydrophobicContact CB-CG2 4.2Å; D64-T67 PolarHBondContact O-N 2.78Å; D64-T67 PolarHBondContact O-OG1 2.97Å; D64-S143 PolarHBondContact N-O 2.88Å; D64-I145 HydrophobicContact CB-CG2 4.42Å; D64-T149 HydrophobicContact CB-CG2 4Å; D64-T149 VanDerWaalsContact CG-CG2 3.49Å; D64-T149 WeakPolarHBondContact OD2-CB 3.44Å; D64-T149 WeakPolarHBondContact OD2-CG2 3.24Å; D64-T149 PolarHBondContact OD2-OG1 3.45Å |
| 65 | L | 97.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 25.3 Ų | 25.3 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -69.8 | -24.7 | -176.3 | 179.5 | 56.5 | 0 | 0 | 0 | 111.3 | Q7 V26 H63 T67 L68 F72 N151 F153 | Q7-L65 HydrophobicContact CG-CD2 4.43Å; V26-L65 HydrophobicContact CB-CD2 4.46Å; V26-L65 HydrophobicContact CG1-CD2 3.64Å; V26-L65 HydrophobicContact CG2-CD2 3.88Å; H63-L65 PolarHBondContact O-N 2.94Å; H63-L65 VanDerWaalsContact O-N 3.14Å; L65-T67 PolarHBondContact O-N 3.44Å; L65-L68 PolarHBondContact O-N 3.28Å; L65-F72 HydrophobicContact CD1-CE2 4.32Å; L65-F72 HydrophobicContact CD1-CZ 3.78Å; L65-N151 HydrophobicContact CB-CB 3.93Å; L65-N151 WeakPolarHBondContact CB-O 3.45Å; L65-N151 HydrophobicContact CD2-CB 4.39Å; L65-N151 PolarHBondContact N-O 3.36Å; L65-F153 HydrophobicContact CB-CB 4.14Å; L65-F153 HydrophobicContact CD1-CB 4.13Å |
| 66 | D | 97.1 | Very high | 97.2 | Very high | 94 Ų | 94 | 24 Ų | 24 | 50% | 0.503 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -71.6 | -14.1 | -178.5 | -62.1 | -36.3 | 0 | 0 | 0 | 112.2 | D64 N151 | D64-D66 PolarHBondContact O-N 2.92Å; D64-D66 WeakPolarHBondContact OD1-CB 3.47Å; D64-D66 PolarHBondContact OD1-N 3.03Å; D64-D66 VanDerWaalsContact OD1-N 3.09Å; D66-N151 VanDerWaalsContact CG-ND2 3.34Å; D66-N151 PolarHBondContact OD1-ND2 3.41Å; D66-N151 PolarHBondContact OD2-ND2 3.45Å; D66-N151 VanDerWaalsContact OD2-ND2 3.14Å |
| 67 | T | 96.7 | Very high | 97.3 | Very high | 55 Ų | 55 | 26.2 Ų | 26.2 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -97.3 | 0.2 | 175.1 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | D64 L65 H142 S143 | D64-T67 HydrophobicContact CB-CG2 4.2Å; D64-T67 PolarHBondContact O-N 2.78Å; D64-T67 PolarHBondContact O-OG1 2.97Å; L65-T67 PolarHBondContact O-N 3.44Å; T67-H142 PolarHBondContact O-CD2 2.95Å; T67-H142 PolarHBondContact O-NE2 3.12Å; T67-H142 PolarHBondContact OG1-O 3.2Å; T67-S143 WeakPolarHBondContact OG1-CA 3.13Å |
| 68 | L | 95.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | trans | -123.1 | 164 | -171.5 | -65.9 | 171.9 | 0 | 0 | 0 | 112 | H63 L65 F72 D126 L132 | H63-L68 HydrophobicContact CB-CD1 3.75Å; L65-L68 PolarHBondContact O-N 3.28Å; L68-F72 HydrophobicContact CB-CE1 4.01Å; L68-F72 HydrophobicContact CB-CZ 4.35Å; L68-F72 HydrophobicContact CD1-CE1 4.24Å; L68-D126 HydrophobicContact CD2-CB 4.33Å; L68-L132 HydrophobicContact CD1-CD1 4.29Å; L68-L132 HydrophobicContact CD1-CD2 3.73Å; L68-L132 HydrophobicContact CD1-CG 3.69Å; L68-L132 HydrophobicContact CD2-CD1 3.84Å; L68-L132 HydrophobicContact CD2-CG 3.97Å; L68-L132 HydrophobicContact CG-CG 4.5Å | ||
| 69 | S | 95.3 | Very high | 97.3 | Very high | 55 Ų | 55 | 32.9 Ų | 32.9 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | trans | -135.8 | 117.8 | 174.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | D126 S127 N128 | S69-D126 PolarHBondContact N-OD2 2.91Å; S69-D126 VanDerWaalsContact O-CB 3.32Å; S69-D126 WeakPolarHBondContact O-CB 3.24Å; S69-S127 WeakPolarHBondContact CB-OG 3.47Å; S69-S127 WeakPolarHBondContact O-CB 3.08Å; S69-S127 PolarHBondContact O-N 2.87Å; S69-S127 PolarHBondContact O-OG 3.25Å; S69-N128 WeakPolarHBondContact CB-ND2 3.44Å; S69-N128 PolarHBondContact OG-ND2 2.91Å | ||
| 70 | G | 92.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 36 Ų | 36 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -68.7 | 167.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S127 | G70-S127 WeakPolarHBondContact O-CB 3.49Å; G70-S127 PolarHBondContact O-OG 3.44Å |
| 71 | P | 96.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | cis | -71 | 154.3 | -1 | 30.2 | -36.8 | 0 | 0 | 0 | 113.1 | K8 D126 S127 | K8-P71 HydrophobicContact CB-CB 4.14Å; K8-P71 HydrophobicContact CG-CB 4.43Å; P71-D126 CarbonylContact O-C 3.6Å; P71-S127 PolarHBondContact O-N 3.26Å; P71-S127 VanDerWaalsContact O-N 3.15Å |
| 72 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 149.6 | 177.3 | -54.7 | -74.8 | 0 | 0 | 0 | 111 | Q7 K8 L9 V10 L65 L68 Y125 D126 L132 F153 | Q7-F72 HydrophobicContact CB-CE2 4.42Å; K8-F72 WeakPolarHBondContact O-CD2 3.09Å; K8-F72 PolarHBondContact O-N 3Å; L9-F72 CarbonylContact C-O 3.58Å; L9-F72 WeakPolarHBondContact CA-O 3.38Å; L9-F72 HydrophobicContact CD1-CB 3.67Å; V10-F72 PolarHBondContact N-O 3.43Å; L65-F72 HydrophobicContact CD1-CE2 4.32Å; L65-F72 HydrophobicContact CD1-CZ 3.78Å; L68-F72 HydrophobicContact CB-CE1 4.01Å; L68-F72 HydrophobicContact CB-CZ 4.35Å; L68-F72 HydrophobicContact CD1-CE1 4.24Å; F72-Y125 CarbonylContact C-O 3.5Å; F72-Y125 WeakPolarHBondContact CA-O 3.29Å; F72-D126 HydrophobicContact CD1-CB 4Å; F72-D126 HydrophobicContact CE1-CB 4Å; F72-L132 HydrophobicContact CD1-CD1 4.08Å; F72-L132 HydrophobicContact CD1-CD2 3.74Å; F72-L132 HydrophobicContact CE1-CD1 4.38Å; F72-L132 HydrophobicContact CE1-CD2 3.94Å; F72-F153 HydrophobicContact CD2-CD2 4.34Å; F72-F153 HydrophobicContact CD2-CE1 4.31Å; F72-F153 AromaticContact CD2-CE2 3.73Å; F72-F153 HydrophobicContact CD2-CE2 3.73Å; F72-F153 AromaticContact CD2-CZ 3.71Å; F72-F153 HydrophobicContact CD2-CZ 3.71Å; F72-F153 AromaticContact CE2-CD2 3.92Å; F72-F153 HydrophobicContact CE2-CD2 3.92Å; F72-F153 AromaticContact CE2-CE2 3.77Å; F72-F153 HydrophobicContact CE2-CE2 3.77Å; F72-F153 HydrophobicContact CE2-CG 4.39Å; F72-F153 HydrophobicContact CE2-CZ 4.11Å; F72-F153 HydrophobicContact CG-CE1 4.41Å; F72-F153 HydrophobicContact CG-CZ 4.13Å; F72-F153 HydrophobicContact CZ-CD2 4.48Å |
| 73 | T | 98.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 30% | 0.301 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.8 | 179.2 | -57.8 | 0 | 0 | 0 | 0 | 111 | V10 T12 I124 Y125 | V10-T73 CarbonylContact O-C 3.52Å; V10-T73 WeakPolarHBondContact O-CA 3.49Å; T12-T73 HydrophobicContact CG2-CG2 3.95Å; T73-I124 CarbonylContact O-C 3.54Å; T73-I124 VanDerWaalsContact O-CA 3.29Å; T73-I124 WeakPolarHBondContact O-CA 2.95Å; T73-Y125 PolarHBondContact N-O 2.95Å; T73-Y125 PolarHBondContact O-N 3.35Å |
| 74 | Y | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 114.7 | 168.4 | -177.7 | -137.5 | 0 | 0 | 0 | 110.6 | V10 I11 T12 T15 R19 A22 P122 I124 P135 T157 | V10-Y74 PolarHBondContact O-N 3.25Å; I11-Y74 HydrophobicContact CG1-CD1 4.22Å; I11-Y74 HydrophobicContact CG2-CD1 3.94Å; T12-Y74 PolarHBondContact N-O 2.89Å; T12-Y74 PolarHBondContact OG1-O 3.24Å; T15-Y74 HydrophobicContact CG2-CD1 3.7Å; T15-Y74 HydrophobicContact CG2-CD2 4.36Å; T15-Y74 HydrophobicContact CG2-CE1 3.76Å; T15-Y74 HydrophobicContact CG2-CE2 4.46Å; T15-Y74 HydrophobicContact CG2-CG 4.01Å; T15-Y74 WeakPolarHBondContact CG2-O 3.28Å; R19-Y74 WeakPolarHBondContact CB-OH 3.33Å; R19-Y74 WeakPolarHBondContact O-CE1 3.18Å; R19-Y74 PolarHBondContact O-OH 3.16Å; R19-Y74 VanDerWaalsContact O-OH 3.06Å; A22-Y74 HydrophobicContact CB-CD1 3.59Å; A22-Y74 HydrophobicContact CB-CE1 3.96Å; A22-Y74 HydrophobicContact CB-CG 4.25Å; Y74-P122 HydrophobicContact CE2-CB 3.7Å; Y74-I124 HydrophobicContact CD2-CD1 4.08Å; Y74-I124 HydrophobicContact CD2-CG1 3.52Å; Y74-I124 HydrophobicContact CE2-CG1 4.23Å; Y74-I124 HydrophobicContact CG-CG1 4.27Å; Y74-P135 HydrophobicContact CE2-CG 4.48Å; Y74-T157 HydrophobicContact CD2-CG2 4.33Å; Y74-T157 HydrophobicContact CE1-CG2 4.23Å; Y74-T157 HydrophobicContact CE2-CG2 3.83Å |
| 75 | T | 98.2 | Very high | 97 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 9% | 0.086 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 176.3 | -177.9 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | T12 K77 P122 V123 Y125 | T12-T75 WeakPolarHBondContact OG1-CA 3.31Å; T12-T75 WeakPolarHBondContact OG1-CB 3.34Å; T12-T75 PolarHBondContact OG1-OG1 2.94Å; T75-K77 HydrophobicContact CG2-CG 4.32Å; T75-P122 CarbonylContact O-C 3.59Å; T75-P122 VanDerWaalsContact O-CA 3.27Å; T75-P122 WeakPolarHBondContact O-CA 3.46Å; T75-V123 HydrophobicContact CG2-CG1 3.83Å; T75-V123 PolarHBondContact N-O 2.71Å; T75-V123 PolarHBondContact O-N 3.33Å; T75-V123 VanDerWaalsContact O-O 3.14Å; T75-Y125 HydrophobicContact CG2-CD2 4.12Å; T75-Y125 HydrophobicContact CG2-CE2 4.06Å |
| 76 | A | 97.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | E14 V18 L120 Y121 | E14-A76 HydrophobicContact CB-CB 3.98Å; V18-A76 HydrophobicContact CG2-CB 4.44Å; A76-L120 HydrophobicContact CB-CB 3.8Å; A76-L120 HydrophobicContact CB-CD1 4.36Å; A76-Y121 CarbonylContact C-O 3.45Å; A76-Y121 WeakPolarHBondContact CA-O 3.2Å |
| 77 | K | 97.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 165.2 | -177.6 | -69 | -172.9 | 177.4 | -176.9 | 0 | 111.1 | T75 I82 L120 Y121 Y125 | T75-K77 HydrophobicContact CG2-CG 4.32Å; K77-I82 HydrophobicContact CB-CD1 4.05Å; K77-I82 HydrophobicContact CB-CG1 3.81Å; K77-L120 CarbonylContact O-C 3.58Å; K77-L120 VanDerWaalsContact O-CA 3.31Å; K77-L120 WeakPolarHBondContact O-CA 3.23Å; K77-Y121 PolarHBondContact N-O 3.42Å; K77-Y121 PolarHBondContact O-N 2.9Å; K77-Y125 HydrophobicContact CD-CE2 4.25Å |
| 78 | R | 97.5 | Very high | 96.4 | Very high | 148 Ų | 148 | 48.1 Ų | 48.1 | 56% | 0.558 | 26% | 0.256 | S | S | * | . | trans | -62.1 | 143.6 | 173 | -65.1 | -179.7 | -61.9 | -169.8 | 2.1 | 109.6 | S80 D81 L120 | R78-S80 PolarHBondContact O-N 2.95Å; R78-S80 VanDerWaalsContact O-N 3.11Å; R78-D81 IonicContact CZ-OD2 3.31Å; R78-D81 VanDerWaalsContact CZ-OD2 3.31Å; R78-D81 IonicContact NE-OD1 3.99Å; R78-D81 IonicContact NE-OD2 2.85Å; R78-D81 PolarHBondContact NE-OD2 3.42Å; R78-D81 IonicContact NH2-OD1 3.12Å; R78-D81 IonicContact NH2-OD2 3.56Å; R78-D81 PolarHBondContact NH2-OD2 2.78Å; R78-D81 PolarHBondContact O-N 3.36Å; R78-L120 HydrophobicContact CG-CD2 3.91Å | ||
| 79 | P | 96.5 | Very high | 96.2 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 16% | 0.156 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -58.5 | -26.9 | -177.8 | -26.3 | 34.6 | 0 | 0 | 0 | 114.9 | D81 A95 C96 Y121 | P79-D81 VanDerWaalsContact C-N 3.29Å; P79-A95 HydrophobicContact CB-CB 4.27Å; P79-A95 WeakPolarHBondContact O-CB 3.4Å; P79-A95 PolarHBondContact O-N 3.44Å; P79-C96 HydrophobicContact CB-CB 4.05Å; P79-C96 PolarHBondContact O-N 2.97Å; P79-Y121 HydrophobicContact CB-CD2 4.1Å; P79-Y121 HydrophobicContact CB-CE2 3.98Å; P79-Y121 HydrophobicContact CG-CD1 3.86Å; P79-Y121 HydrophobicContact CG-CD2 3.94Å; P79-Y121 HydrophobicContact CG-CE1 3.75Å; P79-Y121 HydrophobicContact CG-CE2 3.84Å; P79-Y121 HydrophobicContact CG-CG 3.92Å |
| 80 | S | 96.6 | Very high | 96 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -69.2 | -25.4 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | R78 | R78-S80 PolarHBondContact O-N 2.95Å; R78-S80 VanDerWaalsContact O-N 3.11Å |
| 81 | D | 97.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -96.6 | -3.6 | -169.1 | -55.8 | -11.1 | 0 | 0 | 0 | 111.8 | R78 P79 | R78-D81 IonicContact CZ-OD2 3.31Å; R78-D81 VanDerWaalsContact CZ-OD2 3.31Å; R78-D81 IonicContact NE-OD1 3.99Å; R78-D81 IonicContact NE-OD2 2.85Å; R78-D81 PolarHBondContact NE-OD2 3.42Å; R78-D81 IonicContact NH2-OD1 3.12Å; R78-D81 IonicContact NH2-OD2 3.56Å; R78-D81 PolarHBondContact NH2-OD2 2.78Å; R78-D81 PolarHBondContact O-N 3.36Å; P79-D81 VanDerWaalsContact C-N 3.29Å |
| 82 | I | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -104.8 | 112.6 | 177.9 | -56.9 | 164.9 | 0 | 0 | 0 | 107.5 | K77 F84 T94 A95 V123 | K77-I82 HydrophobicContact CB-CD1 4.05Å; K77-I82 HydrophobicContact CB-CG1 3.81Å; I82-F84 HydrophobicContact CG2-CD1 4.1Å; I82-F84 HydrophobicContact CG2-CE1 4.33Å; I82-T94 CarbonylContact O-C 3.47Å; I82-T94 WeakPolarHBondContact O-CA 3.45Å; I82-A95 HydrophobicContact CB-CB 3.9Å; I82-A95 HydrophobicContact CD1-CB 4.33Å; I82-A95 HydrophobicContact CG2-CB 4.23Å; I82-A95 PolarHBondContact O-N 3.17Å; I82-V123 HydrophobicContact CD1-CB 4.14Å; I82-V123 HydrophobicContact CD1-CG1 4.1Å; I82-V123 HydrophobicContact CG1-CG1 4.3Å; I82-V123 HydrophobicContact CG2-CB 4.5Å; I82-V123 HydrophobicContact CG2-CG2 4.01Å | ||
| 83 | K | 97.3 | Very high | 96.1 | Very high | 123 Ų | 123 | 63.6 Ų | 63.6 | 54% | 0.535 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.3 | 177.6 | -171.8 | 180 | 179.7 | -169.3 | 0 | 110.3 | E92 Y93 | K83-E92 VanDerWaalsContact CE-OE2 3.24Å; K83-E92 WeakPolarHBondContact CE-OE2 3.42Å; K83-E92 HydrophobicContact CG-CB 4.24Å; K83-E92 IonicContact NZ-OE2 2.84Å; K83-Y93 WeakPolarHBondContact CA-O 3.11Å |
| 84 | F | 97.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 168.1 | 178 | 72.4 | -69.6 | 0 | 0 | 0 | 112.3 | I82 P86 E92 Y93 L98 V131 M134 I138 | I82-F84 HydrophobicContact CG2-CD1 4.1Å; I82-F84 HydrophobicContact CG2-CE1 4.33Å; F84-P86 HydrophobicContact CE2-CB 4.04Å; F84-P86 HydrophobicContact CZ-CB 4.4Å; F84-P86 WeakPolarHBondContact O-CD 3.3Å; F84-E92 WeakPolarHBondContact O-CA 3.44Å; F84-Y93 PolarHBondContact N-O 3.39Å; F84-Y93 PolarHBondContact O-N 3.47Å; F84-L98 HydrophobicContact CD1-CD1 4.18Å; F84-L98 HydrophobicContact CE1-CD1 3.43Å; F84-L98 VanDerWaalsContact CE1-CD1 3.43Å; F84-L98 HydrophobicContact CZ-CD1 3.67Å; F84-V131 HydrophobicContact CB-CB 3.59Å; F84-V131 HydrophobicContact CB-CG1 3.98Å; F84-V131 HydrophobicContact CB-CG2 3.84Å; F84-V131 HydrophobicContact CD1-CB 4.49Å; F84-V131 HydrophobicContact CD1-CG1 4.01Å; F84-V131 HydrophobicContact CD2-CB 4.27Å; F84-V131 HydrophobicContact CD2-CG1 3.82Å; F84-V131 HydrophobicContact CE1-CG1 4.44Å; F84-V131 HydrophobicContact CE2-CG1 4.27Å; F84-V131 HydrophobicContact CG-CB 3.9Å; F84-V131 HydrophobicContact CG-CG1 3.68Å; F84-V131 HydrophobicContact CG-CG2 4.33Å; F84-M134 HydrophobicContact CE1-CB 4.03Å; F84-M134 HydrophobicContact CE1-SD 4.42Å; F84-M134 HydrophobicContact CZ-CB 3.82Å; F84-I138 HydrophobicContact CE2-CG2 4.21Å; F84-I138 HydrophobicContact CZ-CG2 3.79Å |
| 85 | K | 97.3 | Very high | 96 | Very high | 77 Ų | 77 | 62.7 Ų | 62.7 | 34% | 0.335 | 31% | 0.306 | S | S | . | . | trans | -89.2 | 108 | 172.5 | -176.1 | 177.8 | 178.1 | 165.3 | 0 | 109.3 | K89 T90 E92 G140 N141 | K85-K89 WeakPolarHBondContact CE-O 3.46Å; K85-K89 VanDerWaalsContact CG-O 3.29Å; K85-K89 WeakPolarHBondContact CG-O 3.44Å; K85-T90 VanDerWaalsContact CE-CA 3.48Å; K85-T90 WeakPolarHBondContact CE-O 3.28Å; K85-T90 PolarHBondContact NZ-O 2.73Å; K85-E92 HydrophobicContact CB-CG 4.27Å; K85-G140 WeakPolarHBondContact O-CA 3.15Å; K85-N141 HydrophobicContact CD-CB 4.22Å; K85-N141 HydrophobicContact CG-CB 3.97Å; K85-N141 PolarHBondContact O-N 3.35Å | ||
| 86 | P | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -75 | 161.9 | -179.8 | 37 | -41.4 | 0 | 0 | 0 | 110.8 | F84 N88 K89 Y93 L98 Y102 I138 | F84-P86 HydrophobicContact CE2-CB 4.04Å; F84-P86 HydrophobicContact CZ-CB 4.4Å; F84-P86 WeakPolarHBondContact O-CD 3.3Å; P86-N88 PolarHBondContact O-N 3.49Å; P86-K89 HydrophobicContact CG-CB 3.84Å; P86-K89 HydrophobicContact CG-CD 3.65Å; P86-K89 HydrophobicContact CG-CG 3.86Å; P86-K89 PolarHBondContact O-N 2.66Å; P86-K89 VanDerWaalsContact O-N 3.12Å; P86-Y93 HydrophobicContact CG-CD2 4.3Å; P86-L98 HydrophobicContact CB-CD1 4.25Å; P86-L98 HydrophobicContact CB-CD2 4.21Å; P86-L98 HydrophobicContact CG-CD1 4.4Å; P86-L98 HydrophobicContact CG-CD2 3.64Å; P86-Y102 WeakPolarHBondContact CB-OH 3.18Å; P86-I138 HydrophobicContact CB-CG1 4.17Å; P86-I138 HydrophobicContact CB-CG2 4.05Å |
| 87 | L | 92.7 | Very high | 95.7 | Very high | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | 131.7 | 178.8 | -165.2 | 70.7 | 0 | 0 | 0 | 112.1 | K89 I138 N139 K144 | L87-K89 PolarHBondContact O-N 2.68Å; L87-I138 HydrophobicContact CB-CD1 3.85Å; L87-I138 HydrophobicContact CB-CG1 4.08Å; L87-I138 HydrophobicContact CD2-CD1 4.38Å; L87-N139 PolarHBondContact N-O 2.87Å; L87-K144 HydrophobicContact CD1-CB 3.82Å; L87-K144 HydrophobicContact CD1-CD 3.58Å; L87-K144 HydrophobicContact CD1-CG 3.6Å |
| 88 | N | 89.4 | Confident | 95.7 | Very high | 116 Ų | 116 | 65.2 Ų | 65.2 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 15.2 | 177.6 | -54.5 | -32.9 | 0 | 0 | 0 | 115.7 | P86 N141 K144 | P86-N88 PolarHBondContact O-N 3.49Å; N88-N141 PolarHBondContact N-OD1 3.21Å; N88-N141 VanDerWaalsContact N-OD1 3.17Å; N88-K144 PolarHBondContact OD1-NZ 2.89Å |
| 89 | K | 91.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | trans | -110.6 | 153.4 | 165.7 | -60.2 | -167.2 | -175.7 | -77.9 | 0 | 110.7 | K85 P86 L87 Y93 | K85-K89 WeakPolarHBondContact CE-O 3.46Å; K85-K89 VanDerWaalsContact CG-O 3.29Å; K85-K89 WeakPolarHBondContact CG-O 3.44Å; P86-K89 HydrophobicContact CG-CB 3.84Å; P86-K89 HydrophobicContact CG-CD 3.65Å; P86-K89 HydrophobicContact CG-CG 3.86Å; P86-K89 PolarHBondContact O-N 2.66Å; P86-K89 VanDerWaalsContact O-N 3.12Å; L87-K89 PolarHBondContact O-N 2.68Å; K89-Y93 HydrophobicContact CB-CE2 4.16Å; K89-Y93 HydrophobicContact CD-CD2 4.22Å; K89-Y93 HydrophobicContact CD-CE2 3.67Å | ||
| 90 | T | 90.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 61.6 Ų | 61.6 | 73% | 0.73 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -91.8 | -30.8 | -178.4 | 50.2 | 0 | 0 | 0 | 0 | 113.4 | K85 | K85-T90 VanDerWaalsContact CE-CA 3.48Å; K85-T90 WeakPolarHBondContact CE-O 3.28Å; K85-T90 PolarHBondContact NZ-O 2.73Å |
| 91 | K | 95.4 | Very high | 95.3 | Very high | 141 Ų | 141 | 60.8 Ų | 60.8 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -94.2 | 154.8 | -177.9 | -63.3 | -178.7 | 178.2 | -177 | 0 | 111.9 | Y93 | K91-Y93 HydrophobicContact CB-CE2 3.75Å; K91-Y93 VanDerWaalsContact O-CD2 3.23Å; K91-Y93 WeakPolarHBondContact O-CD2 3.23Å; K91-Y93 WeakPolarHBondContact O-CE2 3.35Å |
| 92 | E | 96.2 | Very high | 95.2 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 55% | 0.547 | 29% | 0.286 | S | S | . | . | trans | -81.4 | 145.4 | 167.1 | -66.9 | -175.8 | 168 | 0 | 0 | 110.9 | K83 F84 K85 | K83-E92 VanDerWaalsContact CE-OE2 3.24Å; K83-E92 WeakPolarHBondContact CE-OE2 3.42Å; K83-E92 HydrophobicContact CG-CB 4.24Å; K83-E92 IonicContact NZ-OE2 2.84Å; F84-E92 WeakPolarHBondContact O-CA 3.44Å; K85-E92 HydrophobicContact CB-CG 4.27Å | ||
| 93 | Y | 97.2 | Very high | 95 | Very high | 55 Ų | 55 | 62 Ų | 62 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152.4 | 177.6 | -60.7 | -89.2 | 0 | 0 | 0 | 109.1 | K83 F84 P86 K89 K91 E97 L98 I101 | K83-Y93 WeakPolarHBondContact CA-O 3.11Å; F84-Y93 PolarHBondContact N-O 3.39Å; F84-Y93 PolarHBondContact O-N 3.47Å; P86-Y93 HydrophobicContact CG-CD2 4.3Å; K89-Y93 HydrophobicContact CB-CE2 4.16Å; K89-Y93 HydrophobicContact CD-CD2 4.22Å; K89-Y93 HydrophobicContact CD-CE2 3.67Å; K91-Y93 HydrophobicContact CB-CE2 3.75Å; K91-Y93 VanDerWaalsContact O-CD2 3.23Å; K91-Y93 WeakPolarHBondContact O-CD2 3.23Å; K91-Y93 WeakPolarHBondContact O-CE2 3.35Å; Y93-E97 HydrophobicContact CD1-CB 4.43Å; Y93-L98 HydrophobicContact CD2-CD2 3.93Å; Y93-L98 HydrophobicContact CG-CD2 3.84Å; Y93-L98 HydrophobicContact CG-CG 4.48Å; Y93-I101 HydrophobicContact CD1-CD1 3.53Å; Y93-I101 HydrophobicContact CE1-CD1 3.55Å; Y93-I101 HydrophobicContact CG-CD1 4.2Å |
| 94 | T | 97.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 62 Ų | 62 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 154.7 | 165 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | I82 C96 E97 L98 | I82-T94 CarbonylContact O-C 3.47Å; I82-T94 WeakPolarHBondContact O-CA 3.45Å; T94-C96 PolarHBondContact O-N 2.82Å; T94-E97 PolarHBondContact N-OE2 3Å; T94-E97 PolarHBondContact O-N 3.03Å; T94-E97 VanDerWaalsContact O-N 3.11Å; T94-E97 VanDerWaalsContact OG1-CD 3.24Å; T94-E97 WeakPolarHBondContact OG1-CG 3.38Å; T94-E97 PolarHBondContact OG1-N 2.88Å; T94-E97 PolarHBondContact OG1-OE2 3.12Å; T94-L98 WeakPolarHBondContact O-CG 3.34Å; T94-L98 PolarHBondContact O-N 3.02Å |
| 95 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.4 | -36 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P79 I82 E97 L98 M99 Y121 M134 | P79-A95 HydrophobicContact CB-CB 4.27Å; P79-A95 WeakPolarHBondContact O-CB 3.4Å; P79-A95 PolarHBondContact O-N 3.44Å; I82-A95 HydrophobicContact CB-CB 3.9Å; I82-A95 HydrophobicContact CD1-CB 4.33Å; I82-A95 HydrophobicContact CG2-CB 4.23Å; I82-A95 PolarHBondContact O-N 3.17Å; A95-E97 PolarHBondContact O-N 2.92Å; A95-L98 PolarHBondContact O-N 3.49Å; A95-M99 WeakPolarHBondContact O-CG 3.09Å; A95-M99 PolarHBondContact O-N 2.79Å; A95-Y121 HydrophobicContact CB-CD2 4.06Å; A95-M134 HydrophobicContact CB-SD 3.4Å; A95-M134 WeakPolarHBondContact CB-SD 3.44Å |
| 96 | C | 95.4 | Very high | 94.3 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 174 | -169.1 | 0 | 0 | 0 | 0 | 112.7 | P79 T94 N100 | P79-C96 HydrophobicContact CB-CB 4.05Å; P79-C96 PolarHBondContact O-N 2.97Å; T94-C96 PolarHBondContact O-N 2.82Å; C96-N100 PolarHBondContact O-N 3.16Å |
| 97 | E | 96.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 176.4 | -71.5 | 163.9 | 149.4 | 0 | 0 | 111.4 | Y93 T94 A95 M99 N100 I101 | Y93-E97 HydrophobicContact CD1-CB 4.43Å; T94-E97 PolarHBondContact N-OE2 3Å; T94-E97 PolarHBondContact O-N 3.03Å; T94-E97 VanDerWaalsContact O-N 3.11Å; T94-E97 VanDerWaalsContact OG1-CD 3.24Å; T94-E97 WeakPolarHBondContact OG1-CG 3.38Å; T94-E97 PolarHBondContact OG1-N 2.88Å; T94-E97 PolarHBondContact OG1-OE2 3.12Å; A95-E97 PolarHBondContact O-N 2.92Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 2.79Å; E97-N100 PolarHBondContact O-N 3.48Å; E97-N100 VanDerWaalsContact O-N 3.16Å; E97-I101 WeakPolarHBondContact O-CG1 3.5Å; E97-I101 PolarHBondContact O-N 3.24Å |
| 98 | L | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 178.7 | -70.6 | 177.7 | 0 | 0 | 0 | 112.4 | F84 P86 Y93 T94 A95 N100 I101 Y102 | F84-L98 HydrophobicContact CD1-CD1 4.18Å; F84-L98 HydrophobicContact CE1-CD1 3.43Å; F84-L98 VanDerWaalsContact CE1-CD1 3.43Å; F84-L98 HydrophobicContact CZ-CD1 3.67Å; P86-L98 HydrophobicContact CB-CD1 4.25Å; P86-L98 HydrophobicContact CB-CD2 4.21Å; P86-L98 HydrophobicContact CG-CD1 4.4Å; P86-L98 HydrophobicContact CG-CD2 3.64Å; Y93-L98 HydrophobicContact CD2-CD2 3.93Å; Y93-L98 HydrophobicContact CG-CD2 3.84Å; Y93-L98 HydrophobicContact CG-CG 4.48Å; T94-L98 WeakPolarHBondContact O-CG 3.34Å; T94-L98 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.49Å; L98-N100 VanDerWaalsContact C-N 3.27Å; L98-N100 PolarHBondContact O-N 2.86Å; L98-I101 PolarHBondContact O-N 3.21Å; L98-Y102 HydrophobicContact CB-CD2 4.14Å; L98-Y102 HydrophobicContact CB-CE2 3.99Å; L98-Y102 HydrophobicContact CD2-CE2 3.92Å; L98-Y102 HydrophobicContact CG-CE2 4.41Å; L98-Y102 WeakPolarHBondContact O-CB 3.1Å; L98-Y102 WeakPolarHBondContact O-CD2 3.26Å; L98-Y102 PolarHBondContact O-N 3.47Å |
| 99 | M | 94.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59 | -41 | 176.7 | -65.3 | -57.8 | -78.9 | 0 | 0 | 111.6 | A95 E97 K103 L112 I115 E116 Y121 M134 I137 | A95-M99 WeakPolarHBondContact O-CG 3.09Å; A95-M99 PolarHBondContact O-N 2.79Å; E97-M99 VanDerWaalsContact C-N 3.34Å; E97-M99 PolarHBondContact O-N 2.79Å; M99-K103 WeakPolarHBondContact O-CG 3.19Å; M99-K103 PolarHBondContact O-N 2.73Å; M99-L112 HydrophobicContact CE-CB 3.72Å; M99-L112 HydrophobicContact CE-CD2 3.95Å; M99-L112 HydrophobicContact CE-CG 4.33Å; M99-L112 WeakPolarHBondContact CE-O 3.2Å; M99-L112 WeakPolarHBondContact O-CD1 3.41Å; M99-L112 HydrophobicContact SD-CD2 3.78Å; M99-I115 HydrophobicContact CE-CG1 4.35Å; M99-E116 HydrophobicContact CE-CB 3.63Å; M99-E116 HydrophobicContact CE-CG 4Å; M99-Y121 HydrophobicContact CE-CE2 4.17Å; M99-Y121 HydrophobicContact CG-CE2 3.45Å; M99-Y121 VanDerWaalsContact CG-CE2 3.45Å; M99-Y121 HydrophobicContact SD-CE2 3.77Å; M99-M134 HydrophobicContact SD-CE 4.24Å; M99-I137 HydrophobicContact SD-CG1 4.43Å |
| 100 | N | 94.7 | Very high | 94.2 | Very high | 92 Ų | 92 | 70 Ų | 70 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70 | -41.2 | 178.3 | -70.8 | -31.6 | 0 | 0 | 0 | 112.2 | C96 E97 L98 Y102 K103 | C96-N100 PolarHBondContact O-N 3.16Å; E97-N100 PolarHBondContact O-N 3.48Å; E97-N100 VanDerWaalsContact O-N 3.16Å; L98-N100 VanDerWaalsContact C-N 3.27Å; L98-N100 PolarHBondContact O-N 2.86Å; N100-Y102 VanDerWaalsContact C-N 3.31Å; N100-Y102 PolarHBondContact O-N 2.89Å; N100-K103 PolarHBondContact O-N 2.98Å; N100-K103 PolarHBondContact OD1-NZ 2.87Å; N100-K103 VanDerWaalsContact OD1-NZ 3.17Å |
| 101 | I | 93.8 | Very high | 94.4 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.6 | -69.1 | 164.3 | 0 | 0 | 0 | 110.8 | Y93 E97 L98 K103 T104 | Y93-I101 HydrophobicContact CD1-CD1 3.53Å; Y93-I101 HydrophobicContact CE1-CD1 3.55Å; Y93-I101 HydrophobicContact CG-CD1 4.2Å; E97-I101 WeakPolarHBondContact O-CG1 3.5Å; E97-I101 PolarHBondContact O-N 3.24Å; L98-I101 PolarHBondContact O-N 3.21Å; I101-K103 VanDerWaalsContact C-N 3.29Å; I101-K103 PolarHBondContact O-N 2.89Å; I101-T104 PolarHBondContact O-OG1 3.35Å; I101-T104 VanDerWaalsContact O-OG1 3.13Å |
| 102 | Y | 95.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -80.5 | -5.4 | -175.6 | -67.1 | -48.8 | 0 | 0 | 0 | 114.3 | P86 L98 N100 T104 D105 L108 K109 I137 I138 | P86-Y102 WeakPolarHBondContact CB-OH 3.18Å; L98-Y102 HydrophobicContact CB-CD2 4.14Å; L98-Y102 HydrophobicContact CB-CE2 3.99Å; L98-Y102 HydrophobicContact CD2-CE2 3.92Å; L98-Y102 HydrophobicContact CG-CE2 4.41Å; L98-Y102 WeakPolarHBondContact O-CB 3.1Å; L98-Y102 WeakPolarHBondContact O-CD2 3.26Å; L98-Y102 PolarHBondContact O-N 3.47Å; N100-Y102 VanDerWaalsContact C-N 3.31Å; N100-Y102 PolarHBondContact O-N 2.89Å; Y102-T104 PolarHBondContact O-N 3Å; Y102-D105 HydrophobicContact CD1-CB 3.93Å; Y102-D105 WeakPolarHBondContact O-CB 3.08Å; Y102-D105 PolarHBondContact O-N 2.89Å; Y102-D105 VanDerWaalsContact O-N 3.14Å; Y102-L108 HydrophobicContact CD1-CB 4.19Å; Y102-L108 HydrophobicContact CD1-CD1 3.55Å; Y102-L108 HydrophobicContact CD1-CG 4.49Å; Y102-L108 HydrophobicContact CD2-CD1 4.24Å; Y102-L108 HydrophobicContact CE1-CD1 3.45Å; Y102-L108 VanDerWaalsContact CE1-CD1 3.45Å; Y102-L108 HydrophobicContact CE2-CD1 4.16Å; Y102-L108 HydrophobicContact CG-CB 4.18Å; Y102-L108 HydrophobicContact CG-CD1 3.96Å; Y102-K109 WeakPolarHBondContact O-CA 3.48Å; Y102-K109 PolarHBondContact O-N 3.18Å; Y102-I137 HydrophobicContact CD2-CG2 4.31Å; Y102-I138 HydrophobicContact CE2-CG2 4.21Å |
| 103 | K | 93.5 | Very high | 94.3 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.7 | 172.1 | -79.7 | 170.6 | -175.6 | 173.3 | 0 | 112.4 | M99 N100 I101 L112 E116 | M99-K103 WeakPolarHBondContact O-CG 3.19Å; M99-K103 PolarHBondContact O-N 2.73Å; N100-K103 PolarHBondContact O-N 2.98Å; N100-K103 PolarHBondContact OD1-NZ 2.87Å; N100-K103 VanDerWaalsContact OD1-NZ 3.17Å; I101-K103 VanDerWaalsContact C-N 3.29Å; I101-K103 PolarHBondContact O-N 2.89Å; K103-L112 HydrophobicContact CG-CD1 3.87Å; K103-E116 WeakPolarHBondContact CE-OE1 3.2Å; K103-E116 IonicContact NZ-OE1 2.66Å; K103-E116 PolarHBondContact NZ-OE1 3.22Å |
| 104 | T | 91.6 | Very high | 94.2 | Very high | 123 Ų | 123 | 57.8 Ų | 57.8 | 76% | 0.755 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -4.3 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 113 | I101 Y102 | I101-T104 PolarHBondContact O-OG1 3.35Å; I101-T104 VanDerWaalsContact O-OG1 3.13Å; Y102-T104 PolarHBondContact O-N 3Å |
| 105 | D | 93.9 | Very high | 94 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | trans | -77.9 | 128.6 | -179.5 | -172.6 | -75.7 | 0 | 0 | 0 | 111.2 | Y102 H107 L108 K109 | Y102-D105 HydrophobicContact CD1-CB 3.93Å; Y102-D105 WeakPolarHBondContact O-CB 3.08Å; Y102-D105 PolarHBondContact O-N 2.89Å; Y102-D105 VanDerWaalsContact O-N 3.14Å; D105-H107 VanDerWaalsContact C-N 3.26Å; D105-H107 PolarHBondContact O-N 3.35Å; D105-H107 WeakPolarHBondContact OD1-CA 3.28Å; D105-H107 PolarHBondContact OD1-N 3.12Å; D105-L108 HydrophobicContact CB-CB 4.25Å; D105-L108 PolarHBondContact OD1-N 2.98Å; D105-K109 WeakPolarHBondContact O-CB 3.48Å; D105-K109 VanDerWaalsContact O-CD 3.26Å; D105-K109 WeakPolarHBondContact O-CD 3.4Å; D105-K109 WeakPolarHBondContact O-CG 3.45Å; D105-K109 PolarHBondContact O-N 3.02Å | ||
| 106 | N | 90.4 | Very high | 93.9 | Very high | 132 Ų | 132 | 60 Ų | 60 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -27.5 | -174.9 | -75.5 | -35.7 | 0 | 0 | 0 | 114.1 | H110 | N106-H110 PolarHBondContact O-CD2 3.05Š|
| 107 | H | 89 | Confident | 93.7 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 39% | 0.389 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -49.6 | -178 | -170.4 | 101.5 | 0 | 0 | 0 | 110.9 | D105 Y111 | D105-H107 VanDerWaalsContact C-N 3.26Å; D105-H107 PolarHBondContact O-N 3.35Å; D105-H107 WeakPolarHBondContact OD1-CA 3.28Å; D105-H107 PolarHBondContact OD1-N 3.12Å; H107-Y111 AromaticContact CD2-CE2 3.78Å; H107-Y111 AromaticContact NE2-CE2 3.8Å; H107-Y111 WeakPolarHBondContact O-CE2 3.35Å |
| 108 | L | 93.3 | Very high | 93.6 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -23.8 | -169.3 | -67.7 | 175.5 | 0 | 0 | 0 | 114.4 | Y102 D105 H110 Y111 I137 I138 | Y102-L108 HydrophobicContact CD1-CB 4.19Å; Y102-L108 HydrophobicContact CD1-CD1 3.55Å; Y102-L108 HydrophobicContact CD1-CG 4.49Å; Y102-L108 HydrophobicContact CD2-CD1 4.24Å; Y102-L108 HydrophobicContact CE1-CD1 3.45Å; Y102-L108 VanDerWaalsContact CE1-CD1 3.45Å; Y102-L108 HydrophobicContact CE2-CD1 4.16Å; Y102-L108 HydrophobicContact CG-CB 4.18Å; Y102-L108 HydrophobicContact CG-CD1 3.96Å; D105-L108 HydrophobicContact CB-CB 4.25Å; D105-L108 PolarHBondContact OD1-N 2.98Å; L108-H110 PolarHBondContact O-N 3.42Å; L108-Y111 HydrophobicContact CD2-CD2 4.22Å; L108-Y111 PolarHBondContact O-N 3.35Å; L108-I137 WeakPolarHBondContact CD2-O 3.45Å; L108-I138 HydrophobicContact CD1-CD1 4.12Å |
| 109 | K | 93.1 | Very high | 93.5 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 37% | 0.37 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -52.2 | -32.8 | 178 | 69.3 | -172.8 | 176.5 | -169.5 | 0 | 113 | Y102 D105 Y111 | Y102-K109 WeakPolarHBondContact O-CA 3.48Å; Y102-K109 PolarHBondContact O-N 3.18Å; D105-K109 WeakPolarHBondContact O-CB 3.48Å; D105-K109 VanDerWaalsContact O-CD 3.26Å; D105-K109 WeakPolarHBondContact O-CD 3.4Å; D105-K109 WeakPolarHBondContact O-CG 3.45Å; D105-K109 PolarHBondContact O-N 3.02Å; K109-Y111 PolarHBondContact O-N 2.86Å |
| 110 | H | 93.1 | Very high | 93.6 | Very high | 107 Ų | 107 | 66.9 Ų | 66.9 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.1 | -14.4 | -178 | -63.5 | -65 | 0 | 0 | 0 | 113.8 | N106 L108 H113 | N106-H110 PolarHBondContact O-CD2 3.05Å; L108-H110 PolarHBondContact O-N 3.42Å; H110-H113 PolarHBondContact O-CE1 3.04Å; H110-H113 PolarHBondContact O-ND1 3.41Å |
| 111 | Y | 94.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 63.1 Ų | 63.1 | 8% | 0.075 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -107.4 | -15.4 | -177.6 | -53.8 | -71 | 0 | 0 | 0 | 113.7 | K54 R55 H107 L108 K109 H113 I114 I137 | K54-Y111 HydrophobicContact CB-CE1 3.9Å; K54-Y111 WeakPolarHBondContact O-CD1 3.33Å; K54-Y111 WeakPolarHBondContact O-CE1 3.43Å; R55-Y111 HydrophobicContact CB-CD1 4.19Å; R55-Y111 HydrophobicContact CB-CE1 4.42Å; R55-Y111 HydrophobicContact CG-CD1 4.15Å; R55-Y111 HydrophobicContact CG-CE1 4Å; H107-Y111 AromaticContact CD2-CE2 3.78Å; H107-Y111 AromaticContact NE2-CE2 3.8Å; H107-Y111 WeakPolarHBondContact O-CE2 3.35Å; L108-Y111 HydrophobicContact CD2-CD2 4.22Å; L108-Y111 PolarHBondContact O-N 3.35Å; K109-Y111 PolarHBondContact O-N 2.86Å; Y111-H113 VanDerWaalsContact C-N 3.3Å; Y111-H113 PolarHBondContact O-N 3.18Å; Y111-I114 HydrophobicContact CD1-CD1 4.22Å; Y111-I114 WeakPolarHBondContact O-CB 3.25Å; Y111-I114 WeakPolarHBondContact O-CD1 3.47Å; Y111-I114 VanDerWaalsContact O-CG1 3.23Å; Y111-I114 WeakPolarHBondContact O-CG1 3.32Å; Y111-I114 PolarHBondContact O-N 3.2Å; Y111-I114 VanDerWaalsContact O-N 3.12Å; Y111-I137 VanDerWaalsContact O-CD1 3.28Å; Y111-I137 WeakPolarHBondContact O-CD1 3.5Å |
| 112 | L | 95.1 | Very high | 94 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.4 | -42.9 | -174.7 | -58.6 | -175.4 | 0 | 0 | 0 | 112.6 | M99 K103 I114 I115 E116 I137 | M99-L112 HydrophobicContact CE-CB 3.72Å; M99-L112 HydrophobicContact CE-CD2 3.95Å; M99-L112 HydrophobicContact CE-CG 4.33Å; M99-L112 WeakPolarHBondContact CE-O 3.2Å; M99-L112 WeakPolarHBondContact O-CD1 3.41Å; M99-L112 HydrophobicContact SD-CD2 3.78Å; K103-L112 HydrophobicContact CG-CD1 3.87Å; L112-I114 PolarHBondContact O-N 3.28Å; L112-I115 PolarHBondContact O-N 2.94Å; L112-I115 VanDerWaalsContact O-N 3.16Å; L112-E116 WeakPolarHBondContact O-CB 2.82Å; L112-E116 PolarHBondContact O-N 3.4Å; L112-I137 HydrophobicContact CD2-CD1 4.21Å; L112-I137 HydrophobicContact CD2-CG2 3.93Å |
| 113 | H | 94.8 | Very high | 94.1 | Very high | 129 Ų | 129 | 60.2 Ų | 60.2 | 60% | 0.597 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.4 | -179.3 | 74.6 | -81.6 | 0 | 0 | 0 | 114.5 | H110 Y111 I115 | H110-H113 PolarHBondContact O-CE1 3.04Å; H110-H113 PolarHBondContact O-ND1 3.41Å; Y111-H113 VanDerWaalsContact C-N 3.3Å; Y111-H113 PolarHBondContact O-N 3.18Å; H113-I115 VanDerWaalsContact C-N 3.29Å; H113-I115 PolarHBondContact O-N 3.02Å |
| 114 | I | 95.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -33.8 | 179.6 | -59 | 167.8 | 0 | 0 | 0 | 111.5 | R55 Y111 L112 P136 | R55-I114 HydrophobicContact CB-CD1 4.34Å; Y111-I114 HydrophobicContact CD1-CD1 4.22Å; Y111-I114 WeakPolarHBondContact O-CB 3.25Å; Y111-I114 WeakPolarHBondContact O-CD1 3.47Å; Y111-I114 VanDerWaalsContact O-CG1 3.23Å; Y111-I114 WeakPolarHBondContact O-CG1 3.32Å; Y111-I114 PolarHBondContact O-N 3.2Å; Y111-I114 VanDerWaalsContact O-N 3.12Å; L112-I114 PolarHBondContact O-N 3.28Å; I114-P136 HydrophobicContact CB-CG 3.89Å; I114-P136 HydrophobicContact CD1-CB 4.43Å; I114-P136 HydrophobicContact CD1-CG 3.79Å; I114-P136 HydrophobicContact CG1-CG 4.45Å; I114-P136 HydrophobicContact CG2-CG 3.69Å |
| 115 | I | 94.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -11.9 | -178.2 | 64.6 | 170.7 | 0 | 0 | 0 | 113.9 | V18 M99 L112 H113 S117 K118 Y121 P122 P136 I137 | V18-I115 HydrophobicContact CG1-CG2 4.28Å; M99-I115 HydrophobicContact CE-CG1 4.35Å; L112-I115 PolarHBondContact O-N 2.94Å; L112-I115 VanDerWaalsContact O-N 3.16Å; H113-I115 VanDerWaalsContact C-N 3.29Å; H113-I115 PolarHBondContact O-N 3.02Å; I115-S117 VanDerWaalsContact C-N 3.26Å; I115-S117 PolarHBondContact O-N 3.46Å; I115-S117 VanDerWaalsContact O-N 3.14Å; I115-K118 WeakPolarHBondContact O-CB 3.21Å; I115-K118 PolarHBondContact O-N 3.27Å; I115-Y121 HydrophobicContact CB-CD1 4.31Å; I115-Y121 HydrophobicContact CB-CE1 4.45Å; I115-Y121 HydrophobicContact CD1-CD1 4.09Å; I115-Y121 HydrophobicContact CD1-CD2 3.8Å; I115-Y121 HydrophobicContact CD1-CE2 4.22Å; I115-Y121 HydrophobicContact CD1-CG 3.76Å; I115-Y121 HydrophobicContact CG1-CD1 4.3Å; I115-Y121 HydrophobicContact CG1-CE1 4.33Å; I115-Y121 HydrophobicContact CG1-CG 4.44Å; I115-Y121 WeakPolarHBondContact O-CE1 3.34Å; I115-P122 HydrophobicContact CG2-CG 4.47Å; I115-P136 HydrophobicContact CG2-CG 4.42Å; I115-I137 HydrophobicContact CD1-CD1 4.41Å; I115-I137 HydrophobicContact CD1-CG1 3.79Å; I115-I137 HydrophobicContact CG1-CD1 4.29Å; I115-I137 HydrophobicContact CG1-CG1 4.2Å |
| 116 | E | 93.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -39.2 | -172.1 | -172.3 | 173.5 | -157.3 | 0 | 0 | 114 | M99 K103 L112 K118 Y121 | M99-E116 HydrophobicContact CE-CB 3.63Å; M99-E116 HydrophobicContact CE-CG 4Å; K103-E116 WeakPolarHBondContact CE-OE1 3.2Å; K103-E116 IonicContact NZ-OE1 2.66Å; K103-E116 PolarHBondContact NZ-OE1 3.22Å; L112-E116 WeakPolarHBondContact O-CB 2.82Å; L112-E116 PolarHBondContact O-N 3.4Å; E116-K118 VanDerWaalsContact C-N 3.27Å; E116-K118 PolarHBondContact O-N 3.14Å; E116-Y121 WeakPolarHBondContact CA-OH 3.49Å; E116-Y121 PolarHBondContact O-OH 3.13Å |
| 117 | S | 92.1 | Very high | 95.2 | Very high | 110 Ų | 110 | 45.6 Ų | 45.6 | 77% | 0.769 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.7 | -178.4 | 59.4 | 0 | 0 | 0 | 0 | 114.7 | I115 | I115-S117 VanDerWaalsContact C-N 3.26Å; I115-S117 PolarHBondContact O-N 3.46Å; I115-S117 VanDerWaalsContact O-N 3.14Å |
| 118 | K | 93.9 | Very high | 95.6 | Very high | 59 Ų | 59 | 47 Ų | 47 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -92 | 147.2 | -174.1 | -60.4 | -174.3 | -178.9 | -175.9 | 0 | 111.2 | V18 I115 E116 L120 | V18-K118 HydrophobicContact CB-CD 4.06Å; V18-K118 HydrophobicContact CG1-CD 3.47Å; V18-K118 VanDerWaalsContact CG1-CD 3.47Å; V18-K118 HydrophobicContact CG2-CD 4.11Å; V18-K118 PolarHBondContact O-NZ 3.31Å; I115-K118 WeakPolarHBondContact O-CB 3.21Å; I115-K118 PolarHBondContact O-N 3.27Å; E116-K118 VanDerWaalsContact C-N 3.27Å; E116-K118 PolarHBondContact O-N 3.14Å; K118-L120 VanDerWaalsContact C-N 3.26Å; K118-L120 PolarHBondContact O-N 2.95Å |
| 119 | P | 94.4 | Very high | 95.7 | Very high | 103 Ų | 103 | 48.6 Ų | 48.6 | 67% | 0.669 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -70.3 | -23.7 | 180 | 28.6 | -35.7 | 0 | 0 | 0 | 113.2 | ||
| 120 | L | 96.9 | Very high | 95.9 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -128.2 | 142.3 | -179.1 | -56.9 | 175.6 | 0 | 0 | 0 | 109.7 | E14 V18 A76 K77 R78 K118 | E14-L120 HydrophobicContact CB-CD1 4.2Å; V18-L120 HydrophobicContact CG2-CB 4.21Å; V18-L120 WeakPolarHBondContact CG2-O 3.38Å; A76-L120 HydrophobicContact CB-CB 3.8Å; A76-L120 HydrophobicContact CB-CD1 4.36Å; K77-L120 CarbonylContact O-C 3.58Å; K77-L120 VanDerWaalsContact O-CA 3.31Å; K77-L120 WeakPolarHBondContact O-CA 3.23Å; R78-L120 HydrophobicContact CG-CD2 3.91Å; K118-L120 VanDerWaalsContact C-N 3.26Å; K118-L120 PolarHBondContact O-N 2.95Å |
| 121 | Y | 97.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 42 Ų | 42 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 136 | 175.7 | -74.4 | 10.4 | 0 | 0 | 0 | 110.1 | A76 K77 P79 A95 M99 I115 E116 M134 | A76-Y121 CarbonylContact C-O 3.45Å; A76-Y121 WeakPolarHBondContact CA-O 3.2Å; K77-Y121 PolarHBondContact N-O 3.42Å; K77-Y121 PolarHBondContact O-N 2.9Å; P79-Y121 HydrophobicContact CB-CD2 4.1Å; P79-Y121 HydrophobicContact CB-CE2 3.98Å; P79-Y121 HydrophobicContact CG-CD1 3.86Å; P79-Y121 HydrophobicContact CG-CD2 3.94Å; P79-Y121 HydrophobicContact CG-CE1 3.75Å; P79-Y121 HydrophobicContact CG-CE2 3.84Å; P79-Y121 HydrophobicContact CG-CG 3.92Å; A95-Y121 HydrophobicContact CB-CD2 4.06Å; M99-Y121 HydrophobicContact CE-CE2 4.17Å; M99-Y121 HydrophobicContact CG-CE2 3.45Å; M99-Y121 VanDerWaalsContact CG-CE2 3.45Å; M99-Y121 HydrophobicContact SD-CE2 3.77Å; I115-Y121 HydrophobicContact CB-CD1 4.31Å; I115-Y121 HydrophobicContact CB-CE1 4.45Å; I115-Y121 HydrophobicContact CD1-CD1 4.09Å; I115-Y121 HydrophobicContact CD1-CD2 3.8Å; I115-Y121 HydrophobicContact CD1-CE2 4.22Å; I115-Y121 HydrophobicContact CD1-CG 3.76Å; I115-Y121 HydrophobicContact CG1-CD1 4.3Å; I115-Y121 HydrophobicContact CG1-CE1 4.33Å; I115-Y121 HydrophobicContact CG1-CG 4.44Å; I115-Y121 WeakPolarHBondContact O-CE1 3.34Å; E116-Y121 WeakPolarHBondContact CA-OH 3.49Å; E116-Y121 PolarHBondContact O-OH 3.13Å; Y121-M134 HydrophobicContact CD2-SD 3.94Å |
| 122 | P | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 143.1 | -179.1 | 34 | -31.8 | 0 | 0 | 0 | 109.8 | V18 Y74 T75 I115 P135 | V18-P122 HydrophobicContact CG1-CG 4.06Å; Y74-P122 HydrophobicContact CE2-CB 3.7Å; T75-P122 CarbonylContact O-C 3.59Å; T75-P122 VanDerWaalsContact O-CA 3.27Å; T75-P122 WeakPolarHBondContact O-CA 3.46Å; I115-P122 HydrophobicContact CG2-CG 4.47Å; P122-P135 WeakPolarHBondContact CG-O 3.41Å; P122-P135 WeakPolarHBondContact O-CD 3.32Å |
| 123 | V | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 146.6 | -173.1 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | T75 I82 Y125 V131 S133 | T75-V123 HydrophobicContact CG2-CG1 3.83Å; T75-V123 PolarHBondContact N-O 2.71Å; T75-V123 PolarHBondContact O-N 3.33Å; T75-V123 VanDerWaalsContact O-O 3.14Å; I82-V123 HydrophobicContact CD1-CB 4.14Å; I82-V123 HydrophobicContact CD1-CG1 4.1Å; I82-V123 HydrophobicContact CG1-CG1 4.3Å; I82-V123 HydrophobicContact CG2-CB 4.5Å; I82-V123 HydrophobicContact CG2-CG2 4.01Å; V123-Y125 HydrophobicContact CB-CE2 4.17Å; V123-Y125 HydrophobicContact CG1-CD2 4.16Å; V123-Y125 HydrophobicContact CG1-CE2 3.42Å; V123-Y125 VanDerWaalsContact CG1-CE2 3.42Å; V123-Y125 HydrophobicContact CG2-CD2 4.17Å; V123-Y125 HydrophobicContact CG2-CE1 4.36Å; V123-Y125 HydrophobicContact CG2-CE2 3.64Å; V123-V131 HydrophobicContact CG2-CG1 3.84Å; V123-V131 HydrophobicContact CG2-CG2 4.11Å; V123-S133 WeakPolarHBondContact CA-O 3.26Å |
| 124 | I | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.2 | 176 | -59.8 | 177.9 | 0 | 0 | 0 | 109.4 | L9 T73 Y74 V131 L132 S133 P135 E155 T157 | L9-I124 HydrophobicContact CD1-CG2 4.36Å; T73-I124 CarbonylContact O-C 3.54Å; T73-I124 VanDerWaalsContact O-CA 3.29Å; T73-I124 WeakPolarHBondContact O-CA 2.95Å; Y74-I124 HydrophobicContact CD2-CD1 4.08Å; Y74-I124 HydrophobicContact CD2-CG1 3.52Å; Y74-I124 HydrophobicContact CE2-CG1 4.23Å; Y74-I124 HydrophobicContact CG-CG1 4.27Å; I124-V131 CarbonylContact O-C 3.47Å; I124-V131 WeakPolarHBondContact O-CA 3.13Å; I124-L132 HydrophobicContact CB-CB 4.18Å; I124-L132 HydrophobicContact CG2-CB 4.06Å; I124-L132 HydrophobicContact CG2-CD1 4.38Å; I124-L132 HydrophobicContact CG2-CD2 3.9Å; I124-L132 HydrophobicContact CG2-CG 4.35Å; I124-L132 PolarHBondContact O-N 2.89Å; I124-S133 PolarHBondContact N-O 3.38Å; I124-P135 HydrophobicContact CD1-CG 4.25Å; I124-P135 HydrophobicContact CG1-CG 4.47Å; I124-E155 HydrophobicContact CD1-CB 4.48Å; I124-E155 HydrophobicContact CD1-CG 3.43Å; I124-E155 VanDerWaalsContact CD1-CG 3.43Å; I124-T157 HydrophobicContact CD1-CG2 3.9Å |
| 125 | Y | 98.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 11% | 0.114 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 153.2 | 177.5 | -67.6 | -80.9 | 0 | 0 | 0 | 111.7 | F72 T73 T75 K77 V123 G129 V130 V131 | F72-Y125 CarbonylContact C-O 3.5Å; F72-Y125 WeakPolarHBondContact CA-O 3.29Å; T73-Y125 PolarHBondContact N-O 2.95Å; T73-Y125 PolarHBondContact O-N 3.35Å; T75-Y125 HydrophobicContact CG2-CD2 4.12Å; T75-Y125 HydrophobicContact CG2-CE2 4.06Å; K77-Y125 HydrophobicContact CD-CE2 4.25Å; V123-Y125 HydrophobicContact CB-CE2 4.17Å; V123-Y125 HydrophobicContact CG1-CD2 4.16Å; V123-Y125 HydrophobicContact CG1-CE2 3.42Å; V123-Y125 VanDerWaalsContact CG1-CE2 3.42Å; V123-Y125 HydrophobicContact CG2-CD2 4.17Å; V123-Y125 HydrophobicContact CG2-CE1 4.36Å; V123-Y125 HydrophobicContact CG2-CE2 3.64Å; Y125-G129 WeakPolarHBondContact CD1-O 3.23Å; Y125-V130 CarbonylContact C-O 3.4Å; Y125-V130 VanDerWaalsContact CA-O 3.27Å; Y125-V130 WeakPolarHBondContact CA-O 3.22Å; Y125-V131 HydrophobicContact CD1-CG2 3.8Å; Y125-V131 HydrophobicContact CE1-CB 4.42Å; Y125-V131 HydrophobicContact CE1-CG2 3.24Å |
| 126 | D | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | trans | -89.5 | -179.1 | 161.7 | 88.3 | -22.2 | 0 | 0 | 0 | 111 | L68 S69 P71 F72 N128 G129 V130 L132 | L68-D126 HydrophobicContact CD2-CB 4.33Å; S69-D126 PolarHBondContact N-OD2 2.91Å; S69-D126 VanDerWaalsContact O-CB 3.32Å; S69-D126 WeakPolarHBondContact O-CB 3.24Å; P71-D126 CarbonylContact O-C 3.6Å; F72-D126 HydrophobicContact CD1-CB 4Å; F72-D126 HydrophobicContact CE1-CB 4Å; D126-N128 PolarHBondContact O-N 3.4Å; D126-N128 WeakPolarHBondContact OD1-CA 3.34Å; D126-N128 WeakPolarHBondContact OD1-CB 3.21Å; D126-N128 PolarHBondContact OD1-N 3.09Å; D126-N128 PolarHBondContact OD2-ND2 2.88Å; D126-G129 PolarHBondContact O-N 3.41Å; D126-G129 VanDerWaalsContact O-N 3.12Å; D126-G129 PolarHBondContact OD1-N 3.39Å; D126-V130 PolarHBondContact N-O 2.89Å; D126-V130 WeakPolarHBondContact OD1-CB 3.4Å; D126-V130 PolarHBondContact OD1-N 2.81Å; D126-L132 HydrophobicContact CB-CD1 3.78Å; D126-L132 VanDerWaalsContact N-CD1 3.32Å | ||
| 127 | S | 96.8 | Very high | 96.7 | Very high | 63 Ų | 63 | 30.7 Ų | 30.7 | 44% | 0.441 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22.4 | 179 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | S69 G70 P71 G129 | S69-S127 WeakPolarHBondContact CB-OG 3.47Å; S69-S127 WeakPolarHBondContact O-CB 3.08Å; S69-S127 PolarHBondContact O-N 2.87Å; S69-S127 PolarHBondContact O-OG 3.25Å; G70-S127 WeakPolarHBondContact O-CB 3.49Å; G70-S127 PolarHBondContact O-OG 3.44Å; P71-S127 PolarHBondContact O-N 3.26Å; P71-S127 VanDerWaalsContact O-N 3.15Å; S127-G129 VanDerWaalsContact C-N 3.28Å |
| 128 | N | 96.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 26.4 Ų | 26.4 | 60% | 0.604 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 0.2 | 175.8 | -58.6 | -55.6 | 0 | 0 | 0 | 112.4 | S69 D126 V130 | S69-N128 WeakPolarHBondContact CB-ND2 3.44Å; S69-N128 PolarHBondContact OG-ND2 2.91Å; D126-N128 PolarHBondContact O-N 3.4Å; D126-N128 WeakPolarHBondContact OD1-CA 3.34Å; D126-N128 WeakPolarHBondContact OD1-CB 3.21Å; D126-N128 PolarHBondContact OD1-N 3.09Å; D126-N128 PolarHBondContact OD2-ND2 2.88Å; N128-V130 VanDerWaalsContact C-N 3.32Å; N128-V130 HydrophobicContact CB-CG2 4.17Å |
| 129 | G | 95.8 | Very high | 97 | Very high | 48 Ų | 48 | 25.2 Ų | 25.2 | 50% | 0.495 | 16% | 0.156 | S | C | . | . | trans | 77.6 | 15.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y125 D126 S127 | Y125-G129 WeakPolarHBondContact CD1-O 3.23Å; D126-G129 PolarHBondContact O-N 3.41Å; D126-G129 VanDerWaalsContact O-N 3.12Å; D126-G129 PolarHBondContact OD1-N 3.39Å; S127-G129 VanDerWaalsContact C-N 3.28Å | ||
| 130 | V | 97 | Very high | 97 | Very high | 45 Ų | 45 | 20.4 Ų | 20.4 | 27% | 0.273 | 13% | 0.125 | S | C | . | . | trans | -75.6 | 131.6 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | Y125 D126 N128 L132 H142 | Y125-V130 CarbonylContact C-O 3.4Å; Y125-V130 VanDerWaalsContact CA-O 3.27Å; Y125-V130 WeakPolarHBondContact CA-O 3.22Å; D126-V130 PolarHBondContact N-O 2.89Å; D126-V130 WeakPolarHBondContact OD1-CB 3.4Å; D126-V130 PolarHBondContact OD1-N 2.81Å; N128-V130 VanDerWaalsContact C-N 3.32Å; N128-V130 HydrophobicContact CB-CG2 4.17Å; V130-L132 PolarHBondContact O-N 2.81Å; V130-H142 HydrophobicContact CG1-CB 4.11Å | ||
| 131 | V | 97.9 | Very high | 97 | Very high | 9 Ų | 9 | 21 Ų | 21 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.4 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | F84 V123 I124 Y125 | F84-V131 HydrophobicContact CB-CB 3.59Å; F84-V131 HydrophobicContact CB-CG1 3.98Å; F84-V131 HydrophobicContact CB-CG2 3.84Å; F84-V131 HydrophobicContact CD1-CB 4.49Å; F84-V131 HydrophobicContact CD1-CG1 4.01Å; F84-V131 HydrophobicContact CD2-CB 4.27Å; F84-V131 HydrophobicContact CD2-CG1 3.82Å; F84-V131 HydrophobicContact CE1-CG1 4.44Å; F84-V131 HydrophobicContact CE2-CG1 4.27Å; F84-V131 HydrophobicContact CG-CB 3.9Å; F84-V131 HydrophobicContact CG-CG1 3.68Å; F84-V131 HydrophobicContact CG-CG2 4.33Å; V123-V131 HydrophobicContact CG2-CG1 3.84Å; V123-V131 HydrophobicContact CG2-CG2 4.11Å; I124-V131 CarbonylContact O-C 3.47Å; I124-V131 WeakPolarHBondContact O-CA 3.13Å; Y125-V131 HydrophobicContact CD1-CG2 3.8Å; Y125-V131 HydrophobicContact CE1-CB 4.42Å; Y125-V131 HydrophobicContact CE1-CG2 3.24Å |
| 132 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -51.8 | 170.9 | -80.7 | 71.3 | 0 | 0 | 0 | 110.6 | H63 L68 F72 I124 D126 V130 G140 F153 | H63-L132 PolarHBondContact CE1-O 3.26Å; L68-L132 HydrophobicContact CD1-CD1 4.29Å; L68-L132 HydrophobicContact CD1-CD2 3.73Å; L68-L132 HydrophobicContact CD1-CG 3.69Å; L68-L132 HydrophobicContact CD2-CD1 3.84Å; L68-L132 HydrophobicContact CD2-CG 3.97Å; L68-L132 HydrophobicContact CG-CG 4.5Å; F72-L132 HydrophobicContact CD1-CD1 4.08Å; F72-L132 HydrophobicContact CD1-CD2 3.74Å; F72-L132 HydrophobicContact CE1-CD1 4.38Å; F72-L132 HydrophobicContact CE1-CD2 3.94Å; I124-L132 HydrophobicContact CB-CB 4.18Å; I124-L132 HydrophobicContact CG2-CB 4.06Å; I124-L132 HydrophobicContact CG2-CD1 4.38Å; I124-L132 HydrophobicContact CG2-CD2 3.9Å; I124-L132 HydrophobicContact CG2-CG 4.35Å; I124-L132 PolarHBondContact O-N 2.89Å; D126-L132 HydrophobicContact CB-CD1 3.78Å; D126-L132 VanDerWaalsContact N-CD1 3.32Å; V130-L132 PolarHBondContact O-N 2.81Å; L132-G140 WeakPolarHBondContact O-CA 3.43Å; L132-G140 PolarHBondContact O-N 3.37Å; L132-F153 HydrophobicContact CD2-CD1 4.02Å; L132-F153 HydrophobicContact CD2-CE1 3.99Å |
| 133 | S | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 158.7 | -175.7 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | V123 I124 P135 E155 | V123-S133 WeakPolarHBondContact CA-O 3.26Å; I124-S133 PolarHBondContact N-O 3.38Å; S133-P135 VanDerWaalsContact C-CD 3.5Å; S133-P135 WeakPolarHBondContact O-CD 3.09Å; S133-E155 PolarHBondContact OG-OE1 3.14Å |
| 134 | M | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 84.6 | 165.6 | -175.7 | -175.1 | 77.3 | 0 | 0 | 108.1 | F84 A95 M99 Y121 I137 I138 | F84-M134 HydrophobicContact CE1-CB 4.03Å; F84-M134 HydrophobicContact CE1-SD 4.42Å; F84-M134 HydrophobicContact CZ-CB 3.82Å; A95-M134 HydrophobicContact CB-SD 3.4Å; A95-M134 WeakPolarHBondContact CB-SD 3.44Å; M99-M134 HydrophobicContact SD-CE 4.24Å; Y121-M134 HydrophobicContact CD2-SD 3.94Å; M134-I137 HydrophobicContact CE-CB 3.7Å; M134-I137 HydrophobicContact CE-CG1 3.84Å; M134-I137 HydrophobicContact CE-CG2 4.02Å; M134-I137 PolarHBondContact O-N 2.94Å; M134-I138 PolarHBondContact N-O 3.22Å; M134-I138 PolarHBondContact O-N 2.97Å |
| 135 | P | 96.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 151.8 | 179.5 | -23.7 | 34.1 | 0 | 0 | 0 | 112.2 | Y74 P122 I124 S133 I137 T157 | Y74-P135 HydrophobicContact CE2-CG 4.48Å; P122-P135 WeakPolarHBondContact CG-O 3.41Å; P122-P135 WeakPolarHBondContact O-CD 3.32Å; I124-P135 HydrophobicContact CD1-CG 4.25Å; I124-P135 HydrophobicContact CG1-CG 4.47Å; S133-P135 VanDerWaalsContact C-CD 3.5Å; S133-P135 WeakPolarHBondContact O-CD 3.09Å; P135-I137 VanDerWaalsContact C-N 3.27Å; P135-T157 HydrophobicContact CB-CG2 4.38Å; P135-T157 WeakPolarHBondContact CB-OG1 3.26Å; P135-T157 HydrophobicContact CG-CG2 3.99Å |
| 136 | P | 94.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87 | 18.4 | -13.1 | 36.9 | -34.3 | 0 | 0 | 0 | 113 | R55 A59 I114 I115 | R55-P136 HydrophobicContact CB-CB 4Å; R55-P136 WeakPolarHBondContact CD-O 3.14Å; R55-P136 PolarHBondContact NH1-O 2.63Å; A59-P136 HydrophobicContact CB-CB 3.53Å; I114-P136 HydrophobicContact CB-CG 3.89Å; I114-P136 HydrophobicContact CD1-CB 4.43Å; I114-P136 HydrophobicContact CD1-CG 3.79Å; I114-P136 HydrophobicContact CG1-CG 4.45Å; I114-P136 HydrophobicContact CG2-CG 3.69Å; I115-P136 HydrophobicContact CG2-CG 4.42Å |
| 137 | I | 96 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -63.9 | -164.9 | -52.6 | -52.4 | 0 | 0 | 0 | 111.6 | R55 M99 Y102 L108 Y111 L112 I115 M134 P135 | R55-I137 PolarHBondContact NH1-O 3.03Å; M99-I137 HydrophobicContact SD-CG1 4.43Å; Y102-I137 HydrophobicContact CD2-CG2 4.31Å; L108-I137 WeakPolarHBondContact CD2-O 3.45Å; Y111-I137 VanDerWaalsContact O-CD1 3.28Å; Y111-I137 WeakPolarHBondContact O-CD1 3.5Å; L112-I137 HydrophobicContact CD2-CD1 4.21Å; L112-I137 HydrophobicContact CD2-CG2 3.93Å; I115-I137 HydrophobicContact CD1-CD1 4.41Å; I115-I137 HydrophobicContact CD1-CG1 3.79Å; I115-I137 HydrophobicContact CG1-CD1 4.29Å; I115-I137 HydrophobicContact CG1-CG1 4.2Å; M134-I137 HydrophobicContact CE-CB 3.7Å; M134-I137 HydrophobicContact CE-CG1 3.84Å; M134-I137 HydrophobicContact CE-CG2 4.02Å; M134-I137 PolarHBondContact O-N 2.94Å; P135-I137 VanDerWaalsContact C-N 3.27Å |
| 138 | I | 95.4 | Very high | 96.6 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 11% | 0.108 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 149 | -169.2 | -162.8 | 56.5 | 0 | 0 | 0 | 112.7 | F84 P86 L87 Y102 L108 M134 | F84-I138 HydrophobicContact CE2-CG2 4.21Å; F84-I138 HydrophobicContact CZ-CG2 3.79Å; P86-I138 HydrophobicContact CB-CG1 4.17Å; P86-I138 HydrophobicContact CB-CG2 4.05Å; L87-I138 HydrophobicContact CB-CD1 3.85Å; L87-I138 HydrophobicContact CB-CG1 4.08Å; L87-I138 HydrophobicContact CD2-CD1 4.38Å; Y102-I138 HydrophobicContact CE2-CG2 4.21Å; L108-I138 HydrophobicContact CD1-CD1 4.12Å; M134-I138 PolarHBondContact N-O 3.22Å; M134-I138 PolarHBondContact O-N 2.97Å |
| 139 | N | 96.6 | Very high | 96.7 | Very high | 34 Ų | 34 | 31 Ų | 31 | 18% | 0.182 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 158.4 | 172.8 | -64.4 | 6.2 | 0 | 0 | 0 | 110.8 | L87 | L87-N139 PolarHBondContact N-O 2.87Å |
| 140 | G | 95.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -72.2 | 147.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K85 L132 H142 | K85-G140 WeakPolarHBondContact O-CA 3.15Å; L132-G140 WeakPolarHBondContact O-CA 3.43Å; L132-G140 PolarHBondContact O-N 3.37Å; G140-H142 VanDerWaalsContact C-N 3.27Å; G140-H142 PolarHBondContact O-N 3.04Å |
| 141 | N | 96.1 | Very high | 96.8 | Very high | 46 Ų | 46 | 31.3 Ų | 31.3 | 25% | 0.246 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -72.9 | -21.8 | 177.3 | -166.4 | 82.3 | 0 | 0 | 0 | 112.7 | K85 N88 K144 | K85-N141 HydrophobicContact CD-CB 4.22Å; K85-N141 HydrophobicContact CG-CB 3.97Å; K85-N141 PolarHBondContact O-N 3.35Å; N88-N141 PolarHBondContact N-OD1 3.21Å; N88-N141 VanDerWaalsContact N-OD1 3.17Å; N141-K144 WeakPolarHBondContact O-CB 3.29Å; N141-K144 PolarHBondContact O-N 3.2Å |
| 142 | H | 95.5 | Very high | 96.8 | Very high | 99 Ų | 99 | 30.9 Ų | 30.9 | 46% | 0.458 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -40.8 | -177.6 | -177.6 | 77.9 | 0 | 0 | 0 | 112.8 | T67 V130 G140 | T67-H142 PolarHBondContact O-CD2 2.95Å; T67-H142 PolarHBondContact O-NE2 3.12Å; T67-H142 PolarHBondContact OG1-O 3.2Å; V130-H142 HydrophobicContact CG1-CB 4.11Å; G140-H142 VanDerWaalsContact C-N 3.27Å; G140-H142 PolarHBondContact O-N 3.04Å |
| 143 | S | 96.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 24.4 | -179.7 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | H63 D64 T67 I145 | H63-S143 VanDerWaalsContact CA-O 3.31Å; H63-S143 WeakPolarHBondContact CA-O 3.43Å; H63-S143 WeakPolarHBondContact ND1-CB 3.11Å; H63-S143 PolarHBondContact ND1-OG 3.38Å; D64-S143 PolarHBondContact N-O 2.88Å; T67-S143 WeakPolarHBondContact OG1-CA 3.13Å; S143-I145 PolarHBondContact O-N 3.46Å |
| 144 | K | 96.8 | Very high | 96.9 | Very high | 81 Ų | 81 | 30.9 Ų | 30.9 | 35% | 0.352 | 16% | 0.156 | S | C | . | . | trans | -64.3 | 123.4 | -178.1 | 173.8 | 177.7 | -176.5 | 178.2 | 0 | 109.8 | L87 N88 N141 | L87-K144 HydrophobicContact CD1-CB 3.82Å; L87-K144 HydrophobicContact CD1-CD 3.58Å; L87-K144 HydrophobicContact CD1-CG 3.6Å; N88-K144 PolarHBondContact OD1-NZ 2.89Å; N141-K144 WeakPolarHBondContact O-CB 3.29Å; N141-K144 PolarHBondContact O-N 3.2Å | ||
| 145 | I | 97.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | trans | -70.3 | 147.7 | 171.6 | 61.7 | 167.7 | 0 | 0 | 0 | 111.4 | Y37 F40 I41 T62 D64 S143 T149 I152 | Y37-I145 HydrophobicContact CE2-CD1 4.16Å; Y37-I145 HydrophobicContact CE2-CG1 4.11Å; Y37-I145 PolarHBondContact OH-O 3.27Å; F40-I145 HydrophobicContact CD1-CD1 3.99Å; F40-I145 HydrophobicContact CE1-CD1 3.78Å; I41-I145 HydrophobicContact CD1-CD1 3.8Å; I41-I145 HydrophobicContact CD1-CG1 4.47Å; T62-I145 WeakPolarHBondContact OG1-CD1 3.29Å; D64-I145 HydrophobicContact CB-CG2 4.42Å; S143-I145 PolarHBondContact O-N 3.46Å; I145-T149 WeakPolarHBondContact CA-OG1 3.49Å; I145-T149 HydrophobicContact CB-CG2 4.45Å; I145-T149 HydrophobicContact CG2-CG2 4.15Å; I145-I152 HydrophobicContact CG2-CG2 4.43Å | ||
| 146 | T | 97.1 | Very high | 97 | Very high | 56 Ų | 56 | 30.6 Ų | 30.6 | 34% | 0.344 | 15% | 0.154 | S | C | . | . | trans | -136.5 | 175 | 175.6 | 70.7 | 0 | 0 | 0 | 0 | 109.9 | N148 T149 | T146-N148 PolarHBondContact O-N 3.1Å; T146-N148 VanDerWaalsContact O-N 3.1Å; T146-N148 PolarHBondContact OG1-N 3.4Å; T146-T149 PolarHBondContact N-OG1 3.17Å; T146-T149 WeakPolarHBondContact O-CB 3.46Å; T146-T149 PolarHBondContact O-N 3.42Å; T146-T149 PolarHBondContact O-OG1 2.81Å | ||
| 147 | V | 97.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 29% | 0.291 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22.3 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 112 | F32 K34 Y37 | F32-V147 HydrophobicContact CB-CG1 4.41Å; F32-V147 WeakPolarHBondContact CB-O 3.27Å; K34-V147 HydrophobicContact CD-CG2 4.34Å; Y37-V147 HydrophobicContact CD1-CG2 4.01Å; Y37-V147 HydrophobicContact CD2-CG2 4.34Å; Y37-V147 HydrophobicContact CG-CG2 3.84Å |
| 148 | N | 97.4 | Very high | 97.2 | Very high | 139 Ų | 139 | 30.4 Ų | 30.4 | 74% | 0.743 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.2 | -180 | -61.2 | -30.2 | 0 | 0 | 0 | 113.5 | T146 R150 | T146-N148 PolarHBondContact O-N 3.1Å; T146-N148 VanDerWaalsContact O-N 3.1Å; T146-N148 PolarHBondContact OG1-N 3.4Å; N148-R150 PolarHBondContact O-N 3.18Å |
| 149 | T | 97.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | trans | -62.6 | 133.9 | -179.1 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | I30 D64 I145 T146 I152 | I30-T149 WeakPolarHBondContact CG2-O 3.34Å; D64-T149 HydrophobicContact CB-CG2 4Å; D64-T149 VanDerWaalsContact CG-CG2 3.49Å; D64-T149 WeakPolarHBondContact OD2-CB 3.44Å; D64-T149 WeakPolarHBondContact OD2-CG2 3.24Å; D64-T149 PolarHBondContact OD2-OG1 3.45Å; I145-T149 WeakPolarHBondContact CA-OG1 3.49Å; I145-T149 HydrophobicContact CB-CG2 4.45Å; I145-T149 HydrophobicContact CG2-CG2 4.15Å; T146-T149 PolarHBondContact N-OG1 3.17Å; T146-T149 WeakPolarHBondContact O-CB 3.46Å; T146-T149 PolarHBondContact O-N 3.42Å; T146-T149 PolarHBondContact O-OG1 2.81Å; T149-I152 HydrophobicContact CG2-CG1 3.98Å | ||
| 150 | R | 97.5 | Very high | 97.3 | Very high | 87 Ų | 87 | 33 Ų | 33 | 33% | 0.328 | 17% | 0.169 | S | C | . | . | trans | -107.4 | -37.6 | -176.5 | -63.4 | -66.7 | -68.2 | 173.4 | -3.8 | 112.4 | N29 I30 N148 E180 | N29-R150 CarbonylContact C-O 3.57Å; N29-R150 WeakPolarHBondContact CA-O 3.34Å; N29-R150 PolarHBondContact N-O 3.14Å; I30-R150 WeakPolarHBondContact CG2-O 3.31Å; I30-R150 PolarHBondContact N-O 3.05Å; I30-R150 PolarHBondContact O-NH1 3.11Å; N148-R150 PolarHBondContact O-N 3.18Å; R150-E180 IonicContact NH2-OE2 2.69Å | ||
| 151 | N | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | trans | -118.7 | 120.5 | -178.9 | -60.6 | -56.1 | 0 | 0 | 0 | 109 | L27 R28 N29 L65 D66 | L27-N151 WeakPolarHBondContact O-CA 3.48Å; R28-N151 WeakPolarHBondContact CA-OD1 3.41Å; R28-N151 WeakPolarHBondContact CD-OD1 3.44Å; N29-N151 PolarHBondContact N-OD1 2.96Å; L65-N151 HydrophobicContact CB-CB 3.93Å; L65-N151 WeakPolarHBondContact CB-O 3.45Å; L65-N151 HydrophobicContact CD2-CB 4.39Å; L65-N151 PolarHBondContact N-O 3.36Å; D66-N151 VanDerWaalsContact CG-ND2 3.34Å; D66-N151 PolarHBondContact OD1-ND2 3.41Å; D66-N151 PolarHBondContact OD2-ND2 3.45Å; D66-N151 VanDerWaalsContact OD2-ND2 3.14Å | ||
| 152 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.4 | -178.5 | -50.5 | 176.8 | 0 | 0 | 0 | 108.8 | V26 L27 I30 F32 F40 H63 I145 T149 I154 | V26-I152 VanDerWaalsContact CA-O 3.29Å; V26-I152 WeakPolarHBondContact CA-O 3.45Å; L27-I152 PolarHBondContact N-O 3.21Å; L27-I152 PolarHBondContact O-N 3.25Å; I30-I152 HydrophobicContact CD1-CD1 4.04Å; I30-I152 HydrophobicContact CG2-CD1 3.95Å; I30-I152 HydrophobicContact CG2-CG1 4.09Å; F32-I152 HydrophobicContact CE2-CD1 3.5Å; F32-I152 HydrophobicContact CE2-CG1 4.42Å; F32-I152 HydrophobicContact CZ-CD1 3.52Å; F40-I152 HydrophobicContact CE1-CD1 4.44Å; F40-I152 HydrophobicContact CE2-CD1 4.42Å; F40-I152 HydrophobicContact CZ-CD1 4.11Å; F40-I152 HydrophobicContact CZ-CG2 4.5Å; H63-I152 CarbonylContact O-C 3.55Å; H63-I152 WeakPolarHBondContact O-CA 3.45Å; I145-I152 HydrophobicContact CG2-CG2 4.43Å; T149-I152 HydrophobicContact CG2-CG1 3.98Å; I152-I154 HydrophobicContact CB-CG1 4.43Å; I152-I154 HydrophobicContact CG2-CD1 4.34Å; I152-I154 HydrophobicContact CG2-CG1 3.64Å |
| 153 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.4 | 162.5 | 178.2 | -99.7 | 0 | 0 | 0 | 108.8 | A24 V26 H63 L65 F72 L132 E155 V188 | A24-F153 HydrophobicContact CB-CE2 3.88Å; A24-F153 HydrophobicContact CB-CZ 3.74Å; V26-F153 HydrophobicContact CG2-CB 4.5Å; V26-F153 HydrophobicContact CG2-CD2 3.83Å; H63-F153 HydrophobicContact CB-CB 4.27Å; H63-F153 HydrophobicContact CB-CD1 4.37Å; H63-F153 PolarHBondContact N-O 2.93Å; H63-F153 PolarHBondContact O-N 3.25Å; L65-F153 HydrophobicContact CB-CB 4.14Å; L65-F153 HydrophobicContact CD1-CB 4.13Å; F72-F153 HydrophobicContact CD2-CD2 4.34Å; F72-F153 HydrophobicContact CD2-CE1 4.31Å; F72-F153 AromaticContact CD2-CE2 3.73Å; F72-F153 HydrophobicContact CD2-CE2 3.73Å; F72-F153 AromaticContact CD2-CZ 3.71Å; F72-F153 HydrophobicContact CD2-CZ 3.71Å; F72-F153 AromaticContact CE2-CD2 3.92Å; F72-F153 HydrophobicContact CE2-CD2 3.92Å; F72-F153 AromaticContact CE2-CE2 3.77Å; F72-F153 HydrophobicContact CE2-CE2 3.77Å; F72-F153 HydrophobicContact CE2-CG 4.39Å; F72-F153 HydrophobicContact CE2-CZ 4.11Å; F72-F153 HydrophobicContact CG-CE1 4.41Å; F72-F153 HydrophobicContact CG-CZ 4.13Å; F72-F153 HydrophobicContact CZ-CD2 4.48Å; L132-F153 HydrophobicContact CD2-CD1 4.02Å; L132-F153 HydrophobicContact CD2-CE1 3.99Å; F153-E155 HydrophobicContact CE1-CB 3.95Å; F153-E155 HydrophobicContact CZ-CB 4.39Å; F153-V188 HydrophobicContact CD2-CG2 4.46Å; F153-V188 HydrophobicContact CE2-CG1 4.23Å; F153-V188 HydrophobicContact CE2-CG2 4.1Å |
| 154 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.8 | -177.1 | -55.5 | 166.6 | 0 | 0 | 0 | 107.4 | A24 A25 L27 F40 I60 T62 I152 L168 I171 V172 | A24-I154 CarbonylContact C-O 3.52Å; A24-I154 WeakPolarHBondContact CA-O 3.37Å; A24-I154 VanDerWaalsContact CB-O 3.28Å; A24-I154 WeakPolarHBondContact CB-O 3.48Å; A25-I154 PolarHBondContact N-O 3.36Å; A25-I154 PolarHBondContact O-N 2.82Å; L27-I154 HydrophobicContact CD1-CD1 3.9Å; L27-I154 HydrophobicContact CG-CD1 4Å; F40-I154 HydrophobicContact CZ-CD1 4.42Å; I60-I154 HydrophobicContact CG2-CG2 4.21Å; T62-I154 HydrophobicContact CG2-CG1 4.47Å; T62-I154 HydrophobicContact CG2-CG2 4.46Å; I152-I154 HydrophobicContact CB-CG1 4.43Å; I152-I154 HydrophobicContact CG2-CD1 4.34Å; I152-I154 HydrophobicContact CG2-CG1 3.64Å; I154-L168 HydrophobicContact CB-CD1 4.26Å; I154-L168 HydrophobicContact CG2-CD1 3.85Å; I154-I171 HydrophobicContact CD1-CG2 3.89Å; I154-V172 HydrophobicContact CD1-CG1 4.04Å |
| 155 | E | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.7 | 174.4 | 87.8 | -67.4 | -177.9 | 0 | 0 | 111.8 | V23 A24 I60 G61 H63 I124 S133 F153 | V23-E155 CarbonylContact O-C 3.56Å; V23-E155 WeakPolarHBondContact O-CA 3.38Å; A24-E155 HydrophobicContact CB-CB 4.13Å; I60-E155 CarbonylContact C-O 3.57Å; I60-E155 WeakPolarHBondContact CA-O 3.32Å; G61-E155 VanDerWaalsContact CA-CD 3.46Å; G61-E155 VanDerWaalsContact CA-OE1 3.32Å; G61-E155 WeakPolarHBondContact CA-OE1 3.47Å; G61-E155 VanDerWaalsContact CA-OE2 3.25Å; G61-E155 WeakPolarHBondContact CA-OE2 3.36Å; G61-E155 PolarHBondContact N-O 2.85Å; G61-E155 PolarHBondContact O-N 2.8Å; G61-E155 VanDerWaalsContact O-N 3.16Å; H63-E155 IonicContact CD2-OE1 2.71Å; H63-E155 IonicContact CD2-OE2 2.92Å; H63-E155 PolarHBondContact CD2-OE2 3.14Å; H63-E155 IonicContact CE1-OE1 3.67Å; H63-E155 VanDerWaalsContact NE2-CD 3.27Å; H63-E155 IonicContact NE2-OE1 3.95Å; H63-E155 PolarHBondContact NE2-OE1 3.45Å; H63-E155 IonicContact NE2-OE2 2.88Å; H63-E155 PolarHBondContact NE2-OE2 2.73Å; I124-E155 HydrophobicContact CD1-CB 4.48Å; I124-E155 HydrophobicContact CD1-CG 3.43Å; I124-E155 VanDerWaalsContact CD1-CG 3.43Å; S133-E155 PolarHBondContact OG-OE1 3.14Å; F153-E155 HydrophobicContact CE1-CB 3.95Å; F153-E155 HydrophobicContact CZ-CB 4.39Å |
| 156 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 109.1 | 178.4 | -69.4 | 0 | 0 | 0 | 0 | 108.7 | A22 V23 V58 A59 A164 | A22-C156 CarbonylContact C-O 3.55Å; A22-C156 VanDerWaalsContact CA-O 3.29Å; A22-C156 WeakPolarHBondContact CA-O 3.5Å; V23-C156 HydrophobicContact CG2-CB 3.83Å; V23-C156 PolarHBondContact N-O 2.92Å; V23-C156 PolarHBondContact O-N 2.79Å; V58-C156 HydrophobicContact CG1-CB 4.08Å; A59-C156 CarbonylContact O-C 3.59Å; A59-C156 WeakPolarHBondContact O-CA 3.23Å; C156-A164 HydrophobicContact CB-CB 4.36Å |
| 157 | T | 98 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.1 | 177.4 | 65 | 0 | 0 | 0 | 0 | 111.2 | R19 F21 A22 V58 A59 Y74 I124 P135 | R19-T157 PolarHBondContact NE-O 2.91Å; R19-T157 PolarHBondContact NE-OG1 2.87Å; R19-T157 PolarHBondContact NH2-O 2.96Å; R19-T157 VanDerWaalsContact NH2-O 3.11Å; F21-T157 CarbonylContact O-C 3.57Å; F21-T157 VanDerWaalsContact O-CA 3.28Å; F21-T157 WeakPolarHBondContact O-CA 2.83Å; A22-T157 HydrophobicContact CB-CG2 3.98Å; V58-T157 CarbonylContact C-O 3.49Å; V58-T157 WeakPolarHBondContact CA-O 3.44Å; A59-T157 PolarHBondContact N-O 2.98Å; A59-T157 PolarHBondContact O-N 3.24Å; Y74-T157 HydrophobicContact CD2-CG2 4.33Å; Y74-T157 HydrophobicContact CE1-CG2 4.23Å; Y74-T157 HydrophobicContact CE2-CG2 3.83Å; I124-T157 HydrophobicContact CD1-CG2 3.9Å; P135-T157 HydrophobicContact CB-CG2 4.38Å; P135-T157 WeakPolarHBondContact CB-OG1 3.26Å; P135-T157 HydrophobicContact CG-CG2 3.99Å |
| 158 | G | 96.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 170.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R19 F21 L57 | R19-G158 CarbonylContact C-O 3.45Å; R19-G158 VanDerWaalsContact CG-C 3.49Å; R19-G158 WeakPolarHBondContact CG-O 3.45Å; F21-G158 PolarHBondContact N-O 3.11Å; F21-G158 VanDerWaalsContact N-O 3.1Å; F21-G158 PolarHBondContact O-N 2.81Å; L57-G158 CarbonylContact O-C 3.57Å; L57-G158 WeakPolarHBondContact O-CA 3.21Å |
| 159 | T | 96.9 | Very high | 97.8 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 37% | 0.374 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -95.8 | -14 | 165.7 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | R19 F21 L57 | R19-T159 HydrophobicContact CG-CG2 4.41Å; F21-T159 WeakPolarHBondContact CE2-O 2.9Å; L57-T159 PolarHBondContact O-N 3.46Å |
| 160 | D | 97.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 30 Ų | 30 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | trans | -117.6 | 107.5 | 175.7 | -174.4 | -40.2 | 0 | 0 | 0 | 109.7 | L57 T162 K163 A164 | L57-D160 HydrophobicContact CB-CB 4.48Å; D160-T162 PolarHBondContact OD1-N 2.98Å; D160-T162 VanDerWaalsContact OD1-N 3.13Å; D160-K163 HydrophobicContact CB-CB 4.06Å; D160-K163 HydrophobicContact CB-CD 4.12Å; D160-K163 HydrophobicContact CB-CG 4.23Å; D160-K163 VanDerWaalsContact CG-CG 3.5Å; D160-K163 PolarHBondContact OD1-N 2.68Å; D160-K163 VanDerWaalsContact OD2-CD 3.3Å; D160-K163 WeakPolarHBondContact OD2-CD 3.34Å; D160-K163 WeakPolarHBondContact OD2-CE 3.47Å; D160-K163 WeakPolarHBondContact OD2-CG 3.45Å; D160-A164 WeakPolarHBondContact O-CB 3.46Å; D160-A164 PolarHBondContact O-N 2.9Å | ||
| 161 | F | 96.8 | Very high | 97.8 | Very high | 74 Ų | 74 | 26 Ų | 26 | 33% | 0.325 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.6 | -43.8 | -177.2 | 179.6 | -111.3 | 0 | 0 | 0 | 112.7 | F21 V23 K163 A164 K165 F200 | F21-F161 HydrophobicContact CB-CB 4.36Å; F21-F161 HydrophobicContact CB-CD2 4.13Å; F21-F161 HydrophobicContact CD1-CB 4.07Å; F21-F161 HydrophobicContact CD1-CD2 4.06Å; F21-F161 HydrophobicContact CD1-CG 4.39Å; F21-F161 HydrophobicContact CD2-CB 3.77Å; F21-F161 HydrophobicContact CE1-CB 4.33Å; F21-F161 HydrophobicContact CE2-CB 4.04Å; F21-F161 HydrophobicContact CG-CB 3.79Å; F21-F161 HydrophobicContact CG-CD2 4.13Å; F21-F161 HydrophobicContact CG-CG 4.42Å; F21-F161 HydrophobicContact CZ-CB 4.32Å; V23-F161 HydrophobicContact CG1-CD2 4.41Å; V23-F161 HydrophobicContact CG1-CE2 3.87Å; F161-K163 PolarHBondContact O-N 3.36Å; F161-A164 PolarHBondContact O-N 2.62Å; F161-K165 HydrophobicContact CD1-CD 3.95Å; F161-K165 HydrophobicContact CE1-CD 3.44Å; F161-K165 VanDerWaalsContact CE1-CD 3.44Å; F161-K165 HydrophobicContact CE1-CG 4.35Å; F161-K165 HydrophobicContact CE2-CD 4.33Å; F161-K165 HydrophobicContact CE2-CG 4.45Å; F161-K165 HydrophobicContact CZ-CD 3.66Å; F161-K165 HydrophobicContact CZ-CG 4.25Å; F161-K165 WeakPolarHBondContact O-CG 3.49Å; F161-K165 PolarHBondContact O-N 3.5Å; F161-F200 HydrophobicContact CE2-CE1 4.46Å; F161-F200 HydrophobicContact CE2-CZ 4.02Å; F161-F200 HydrophobicContact CZ-CE1 4.11Å; F161-F200 AromaticContact CZ-CZ 3.75Å; F161-F200 HydrophobicContact CZ-CZ 3.75Å |
| 162 | T | 96.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 25.4 Ų | 25.4 | 54% | 0.54 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.5 | -42.6 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 110.8 | D160 K165 I166 | D160-T162 PolarHBondContact OD1-N 2.98Å; D160-T162 VanDerWaalsContact OD1-N 3.13Å; T162-K165 PolarHBondContact O-N 3.08Å; T162-I166 HydrophobicContact CG2-CD1 3.97Å; T162-I166 VanDerWaalsContact O-CG1 3.32Å; T162-I166 WeakPolarHBondContact O-CG1 3.4Å; T162-I166 PolarHBondContact O-N 2.91Å |
| 163 | K | 97.6 | Very high | 97.8 | Very high | 67 Ų | 67 | 28.6 Ų | 28.6 | 29% | 0.291 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 175.3 | -68.9 | -177.8 | -165.6 | -54.7 | 0 | 111.9 | L57 V58 D160 F161 K165 I166 V167 | L57-K163 HydrophobicContact CB-CD 4.4Å; L57-K163 HydrophobicContact CD1-CD 3.58Å; V58-K163 HydrophobicContact CG2-CB 3.69Å; D160-K163 HydrophobicContact CB-CB 4.06Å; D160-K163 HydrophobicContact CB-CD 4.12Å; D160-K163 HydrophobicContact CB-CG 4.23Å; D160-K163 VanDerWaalsContact CG-CG 3.5Å; D160-K163 PolarHBondContact OD1-N 2.68Å; D160-K163 VanDerWaalsContact OD2-CD 3.3Å; D160-K163 WeakPolarHBondContact OD2-CD 3.34Å; D160-K163 WeakPolarHBondContact OD2-CE 3.47Å; D160-K163 WeakPolarHBondContact OD2-CG 3.45Å; F161-K163 PolarHBondContact O-N 3.36Å; K163-K165 VanDerWaalsContact C-N 3.32Å; K163-K165 PolarHBondContact O-N 2.99Å; K163-I166 PolarHBondContact O-N 2.91Å; K163-V167 WeakPolarHBondContact O-CB 3.48Å; K163-V167 WeakPolarHBondContact O-CG2 3.37Å; K163-V167 PolarHBondContact O-N 3.24Å |
| 164 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V23 V58 C156 D160 F161 V167 L168 | V23-A164 HydrophobicContact CG2-CB 4.02Å; V58-A164 HydrophobicContact CG1-CB 4.33Å; V58-A164 HydrophobicContact CG2-CB 4.11Å; C156-A164 HydrophobicContact CB-CB 4.36Å; D160-A164 WeakPolarHBondContact O-CB 3.46Å; D160-A164 PolarHBondContact O-N 2.9Å; F161-A164 PolarHBondContact O-N 2.62Å; A164-V167 PolarHBondContact O-N 3.21Å; A164-L168 WeakPolarHBondContact O-CB 3.46Å; A164-L168 PolarHBondContact O-N 2.91Å |
| 165 | K | 97.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -52.1 | 173.1 | -71.8 | 176 | 54.5 | 167.5 | 0 | 112.5 | V23 F161 T162 K163 V167 L168 D169 F200 E202 | V23-K165 HydrophobicContact CG1-CG 4.11Å; F161-K165 HydrophobicContact CD1-CD 3.95Å; F161-K165 HydrophobicContact CE1-CD 3.44Å; F161-K165 VanDerWaalsContact CE1-CD 3.44Å; F161-K165 HydrophobicContact CE1-CG 4.35Å; F161-K165 HydrophobicContact CE2-CD 4.33Å; F161-K165 HydrophobicContact CE2-CG 4.45Å; F161-K165 HydrophobicContact CZ-CD 3.66Å; F161-K165 HydrophobicContact CZ-CG 4.25Å; F161-K165 WeakPolarHBondContact O-CG 3.49Å; F161-K165 PolarHBondContact O-N 3.5Å; T162-K165 PolarHBondContact O-N 3.08Å; K163-K165 VanDerWaalsContact C-N 3.32Å; K163-K165 PolarHBondContact O-N 2.99Å; K165-V167 VanDerWaalsContact C-N 3.3Å; K165-V167 PolarHBondContact O-N 3.5Å; K165-L168 WeakPolarHBondContact O-CB 3.19Å; K165-L168 PolarHBondContact O-N 3.15Å; K165-D169 WeakPolarHBondContact O-CB 3.43Å; K165-D169 VanDerWaalsContact O-CG 3.26Å; K165-D169 PolarHBondContact O-N 3.47Å; K165-F200 HydrophobicContact CD-CE1 3.96Å; K165-F200 HydrophobicContact CG-CD1 4.33Å; K165-F200 HydrophobicContact CG-CE1 3.85Å; K165-E202 WeakPolarHBondContact CE-OE1 3.44Å; K165-E202 IonicContact NZ-OE1 3.03Å; K165-E202 PolarHBondContact NZ-OE1 2.69Å; K165-E202 IonicContact NZ-OE2 2.68Å; K165-E202 PolarHBondContact NZ-OE2 2.91Å |
| 166 | I | 97.7 | Very high | 97.7 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.6 | -42.8 | -179 | -70.2 | 168.2 | 0 | 0 | 0 | 111 | I51 T162 K163 D169 I170 | I51-I166 HydrophobicContact CD1-CG2 4.03Å; T162-I166 HydrophobicContact CG2-CD1 3.97Å; T162-I166 VanDerWaalsContact O-CG1 3.32Å; T162-I166 WeakPolarHBondContact O-CG1 3.4Å; T162-I166 PolarHBondContact O-N 2.91Å; K163-I166 PolarHBondContact O-N 2.91Å; I166-D169 PolarHBondContact O-N 3.44Å; I166-I170 HydrophobicContact CG2-CD1 3.75Å; I166-I170 HydrophobicContact CG2-CG1 4.36Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.2Å; I166-I170 PolarHBondContact O-N 3.16Å |
| 167 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 179.3 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | L47 I51 V58 I60 K163 A164 K165 I170 I171 | L47-V167 HydrophobicContact CD1-CG1 4.34Å; I51-V167 HydrophobicContact CG2-CG2 3.68Å; V58-V167 HydrophobicContact CG1-CB 4.22Å; V58-V167 HydrophobicContact CG1-CG1 4.18Å; V58-V167 HydrophobicContact CG1-CG2 4.34Å; I60-V167 HydrophobicContact CD1-CG1 3.47Å; I60-V167 VanDerWaalsContact CD1-CG1 3.47Å; I60-V167 HydrophobicContact CG1-CG1 3.45Å; I60-V167 VanDerWaalsContact CG1-CG1 3.45Å; K163-V167 WeakPolarHBondContact O-CB 3.48Å; K163-V167 WeakPolarHBondContact O-CG2 3.37Å; K163-V167 PolarHBondContact O-N 3.24Å; A164-V167 PolarHBondContact O-N 3.21Å; K165-V167 VanDerWaalsContact C-N 3.3Å; K165-V167 PolarHBondContact O-N 3.5Å; V167-I170 PolarHBondContact O-N 3.49Å; V167-I171 HydrophobicContact CG1-CD1 4.1Å; V167-I171 WeakPolarHBondContact O-CG1 3.33Å; V167-I171 PolarHBondContact O-N 3.24Å |
| 168 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -50.6 | 174.1 | -176.8 | 69 | 0 | 0 | 0 | 110.7 | V23 A25 I154 A164 K165 I170 I171 V172 F200 P201 | V23-L168 HydrophobicContact CB-CD2 3.97Å; V23-L168 HydrophobicContact CG2-CB 4.02Å; V23-L168 HydrophobicContact CG2-CD2 3.77Å; V23-L168 HydrophobicContact CG2-CG 4.46Å; A25-L168 HydrophobicContact CB-CD1 3.76Å; A25-L168 HydrophobicContact CB-CD2 4.14Å; A25-L168 HydrophobicContact CB-CG 4.15Å; I154-L168 HydrophobicContact CB-CD1 4.26Å; I154-L168 HydrophobicContact CG2-CD1 3.85Å; A164-L168 WeakPolarHBondContact O-CB 3.46Å; A164-L168 PolarHBondContact O-N 2.91Å; K165-L168 WeakPolarHBondContact O-CB 3.19Å; K165-L168 PolarHBondContact O-N 3.15Å; L168-I170 VanDerWaalsContact C-N 3.33Å; L168-I170 PolarHBondContact O-N 3.4Å; L168-I171 PolarHBondContact O-N 3.47Å; L168-V172 HydrophobicContact CD1-CG1 4.31Å; L168-V172 WeakPolarHBondContact O-CG1 3.4Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 2.99Å; L168-F200 HydrophobicContact CD2-CB 4.02Å; L168-P201 HydrophobicContact CD2-CB 4.3Å |
| 169 | D | 98.1 | Very high | 97.6 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.7 | -43.4 | -179.8 | -71.1 | -2.1 | 0 | 0 | 0 | 111.4 | K165 I166 I171 V172 T173 P201 L203 | K165-D169 WeakPolarHBondContact O-CB 3.43Å; K165-D169 VanDerWaalsContact O-CG 3.26Å; K165-D169 PolarHBondContact O-N 3.47Å; I166-D169 PolarHBondContact O-N 3.44Å; D169-I171 PolarHBondContact O-N 2.92Å; D169-V172 WeakPolarHBondContact O-CG2 3.25Å; D169-T173 VanDerWaalsContact O-CB 3.25Å; D169-T173 WeakPolarHBondContact O-CB 3.19Å; D169-T173 WeakPolarHBondContact O-CG2 3.27Å; D169-T173 PolarHBondContact O-N 2.94Å; D169-T173 PolarHBondContact O-OG1 3.42Å; D169-P201 VanDerWaalsContact OD1-CB 3.24Å; D169-P201 WeakPolarHBondContact OD1-CB 3.46Å; D169-L203 HydrophobicContact CB-CD2 3.92Å |
| 170 | I | 98.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 42 Ų | 42 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.3 | -49.4 | 177 | -71.8 | 165.2 | 0 | 0 | 0 | 110.8 | L43 L47 I166 V167 L168 T173 M174 | L43-I170 HydrophobicContact CD2-CG2 4.48Å; L47-I170 HydrophobicContact CD1-CG2 4.07Å; L47-I170 HydrophobicContact CD2-CD1 4.28Å; L47-I170 HydrophobicContact CD2-CG2 4.33Å; I166-I170 HydrophobicContact CG2-CD1 3.75Å; I166-I170 HydrophobicContact CG2-CG1 4.36Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.2Å; I166-I170 PolarHBondContact O-N 3.16Å; V167-I170 PolarHBondContact O-N 3.49Å; L168-I170 VanDerWaalsContact C-N 3.33Å; L168-I170 PolarHBondContact O-N 3.4Å; I170-T173 PolarHBondContact O-OG1 3.33Å; I170-M174 HydrophobicContact CG2-CG 4.39Å; I170-M174 HydrophobicContact CG2-SD 3.71Å; I170-M174 VanDerWaalsContact O-CB 3.27Å; I170-M174 WeakPolarHBondContact O-CB 3.05Å; I170-M174 WeakPolarHBondContact O-CG 3.47Å; I170-M174 PolarHBondContact O-N 3.1Å |
| 171 | I | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -47.8 | -175.3 | -63.9 | 164.7 | 0 | 0 | 0 | 110.3 | F40 L43 L47 I60 I154 V167 L168 D169 F175 | F40-I171 HydrophobicContact CE2-CG2 3.76Å; F40-I171 HydrophobicContact CZ-CG2 4.11Å; L43-I171 HydrophobicContact CD2-CG1 4.47Å; L47-I171 HydrophobicContact CD1-CD1 4.18Å; L47-I171 HydrophobicContact CD1-CG1 3.73Å; I60-I171 HydrophobicContact CB-CD1 4.44Å; I60-I171 HydrophobicContact CD1-CD1 3.71Å; I60-I171 HydrophobicContact CG1-CD1 4.05Å; I60-I171 HydrophobicContact CG2-CD1 3.56Å; I154-I171 HydrophobicContact CD1-CG2 3.89Å; V167-I171 HydrophobicContact CG1-CD1 4.1Å; V167-I171 WeakPolarHBondContact O-CG1 3.33Å; V167-I171 PolarHBondContact O-N 3.24Å; L168-I171 PolarHBondContact O-N 3.47Å; D169-I171 PolarHBondContact O-N 2.92Å; I171-F175 PolarHBondContact O-N 3.49Å; I171-F175 VanDerWaalsContact O-N 3.08Å |
| 172 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71 | -38.2 | -176.4 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | A25 L27 I154 L168 D169 S176 V185 P201 L203 | A25-V172 HydrophobicContact CB-CG1 3.7Å; L27-V172 HydrophobicContact CD2-CB 4.17Å; L27-V172 HydrophobicContact CD2-CG1 4.37Å; I154-V172 HydrophobicContact CD1-CG1 4.04Å; L168-V172 HydrophobicContact CD1-CG1 4.31Å; L168-V172 WeakPolarHBondContact O-CG1 3.4Å; L168-V172 WeakPolarHBondContact O-CG2 3.35Å; L168-V172 PolarHBondContact O-N 2.99Å; D169-V172 WeakPolarHBondContact O-CG2 3.25Å; V172-S176 WeakPolarHBondContact O-CB 3.39Å; V172-S176 PolarHBondContact O-N 3.29Å; V172-S176 PolarHBondContact O-OG 2.89Å; V172-V185 HydrophobicContact CB-CG1 3.95Å; V172-V185 HydrophobicContact CB-CG2 3.76Å; V172-V185 HydrophobicContact CG1-CG1 4.06Å; V172-V185 HydrophobicContact CG2-CG1 4.33Å; V172-V185 HydrophobicContact CG2-CG2 4.01Å; V172-P201 HydrophobicContact CG2-CB 4.16Å; V172-P201 HydrophobicContact CG2-CG 4.02Å; V172-L203 HydrophobicContact CG2-CD2 4.37Å |
| 173 | T | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.3 | -39.8 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | D169 I170 S176 L203 | D169-T173 VanDerWaalsContact O-CB 3.25Å; D169-T173 WeakPolarHBondContact O-CB 3.19Å; D169-T173 WeakPolarHBondContact O-CG2 3.27Å; D169-T173 PolarHBondContact O-N 2.94Å; D169-T173 PolarHBondContact O-OG1 3.42Å; I170-T173 PolarHBondContact O-OG1 3.33Å; T173-S176 PolarHBondContact O-OG 3.44Å; T173-L203 HydrophobicContact CG2-CD2 3.61Å |
| 174 | M | 97.3 | Very high | 97.3 | Very high | 96 Ų | 96 | 49.5 Ų | 49.5 | 47% | 0.473 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.2 | -34.9 | 178.2 | -71.7 | -175.5 | 73.9 | 0 | 0 | 113.5 | L43 I170 | L43-M174 HydrophobicContact CD1-CE 4.32Å; L43-M174 HydrophobicContact CD1-SD 3.94Å; L43-M174 HydrophobicContact CD2-CB 4.26Å; L43-M174 HydrophobicContact CD2-CE 4.2Å; L43-M174 HydrophobicContact CD2-SD 3.59Å; L43-M174 VanDerWaalsContact CD2-SD 3.59Å; L43-M174 HydrophobicContact CG-SD 4.45Å; I170-M174 HydrophobicContact CG2-CG 4.39Å; I170-M174 HydrophobicContact CG2-SD 3.71Å; I170-M174 VanDerWaalsContact O-CB 3.27Å; I170-M174 WeakPolarHBondContact O-CB 3.05Å; I170-M174 WeakPolarHBondContact O-CG 3.47Å; I170-M174 PolarHBondContact O-N 3.1Å |
| 175 | F | 97.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -105.7 | -9.1 | -173.8 | -80.1 | -90.1 | 0 | 0 | 0 | 115.3 | L27 I30 F40 L43 I171 E177 H178 | L27-F175 HydrophobicContact CD1-CB 3.91Å; I30-F175 HydrophobicContact CD1-CB 4.45Å; F40-F175 HydrophobicContact CB-CD1 4.21Å; F40-F175 HydrophobicContact CB-CE1 3.6Å; F40-F175 HydrophobicContact CB-CE2 4.29Å; F40-F175 HydrophobicContact CB-CZ 3.67Å; F40-F175 HydrophobicContact CD2-CB 4.19Å; F40-F175 AromaticContact CD2-CD1 3.58Å; F40-F175 HydrophobicContact CD2-CD1 3.58Å; F40-F175 AromaticContact CD2-CD2 3.61Å; F40-F175 HydrophobicContact CD2-CD2 3.61Å; F40-F175 AromaticContact CD2-CE1 3.8Å; F40-F175 HydrophobicContact CD2-CE1 3.8Å; F40-F175 AromaticContact CD2-CE2 3.81Å; F40-F175 HydrophobicContact CD2-CE2 3.81Å; F40-F175 AromaticContact CD2-CG 3.5Å; F40-F175 HydrophobicContact CD2-CG 3.5Å; F40-F175 VanDerWaalsContact CD2-CG 3.5Å; F40-F175 AromaticContact CD2-CZ 3.93Å; F40-F175 HydrophobicContact CD2-CZ 3.93Å; F40-F175 HydrophobicContact CE2-CB 4.3Å; F40-F175 HydrophobicContact CE2-CD1 4.47Å; F40-F175 HydrophobicContact CE2-CD2 4.16Å; F40-F175 HydrophobicContact CE2-CG 4.05Å; F40-F175 HydrophobicContact CG-CD1 4.37Å; F40-F175 HydrophobicContact CG-CE1 4.21Å; F40-F175 HydrophobicContact CG-CE2 4.48Å; F40-F175 HydrophobicContact CG-CZ 4.28Å; L43-F175 HydrophobicContact CB-CE2 4.27Å; L43-F175 HydrophobicContact CD2-CD2 4.04Å; L43-F175 HydrophobicContact CD2-CE2 3.59Å; I171-F175 PolarHBondContact O-N 3.49Å; I171-F175 VanDerWaalsContact O-N 3.08Å; F175-E177 PolarHBondContact O-N 3.43Å; F175-H178 AromaticContact CD1-CD2 3.81Å; F175-H178 PolarHBondContact O-N 3.09Å |
| 176 | S | 97.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -62.9 | -22.1 | 174.2 | 58.9 | 0 | 0 | 0 | 0 | 113.3 | V172 T173 H178 C179 F183 | V172-S176 WeakPolarHBondContact O-CB 3.39Å; V172-S176 PolarHBondContact O-N 3.29Å; V172-S176 PolarHBondContact O-OG 2.89Å; T173-S176 PolarHBondContact O-OG 3.44Å; S176-H178 PolarHBondContact O-N 3.46Å; S176-C179 WeakPolarHBondContact O-CB 3.29Å; S176-C179 PolarHBondContact O-N 3.09Å; S176-C179 VanDerWaalsContact O-N 3.15Å; S176-F183 PolarHBondContact O-N 3.15Å |
| 177 | E | 97.7 | Very high | 97.2 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -62.2 | -22.6 | 172.4 | 65.4 | 164.3 | 171.4 | 0 | 0 | 113.3 | F175 Q182 F183 | F175-E177 PolarHBondContact O-N 3.43Å; E177-Q182 WeakPolarHBondContact O-CG 3.44Å; E177-F183 HydrophobicContact CB-CD1 4.19Å; E177-F183 HydrophobicContact CB-CE1 3.53Å; E177-F183 HydrophobicContact CB-CE2 4.41Å; E177-F183 HydrophobicContact CB-CZ 3.66Å |
| 178 | H | 97.3 | Very high | 97.2 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 15% | 0.153 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -96.5 | 0.8 | 179.4 | -58.7 | -28.3 | 0 | 0 | 0 | 113.1 | I30 K31 F175 S176 | I30-H178 HydrophobicContact CG1-CB 4.15Å; K31-H178 PolarHBondContact N-O 3.44Å; F175-H178 AromaticContact CD1-CD2 3.81Å; F175-H178 PolarHBondContact O-N 3.09Å; S176-H178 PolarHBondContact O-N 3.46Å |
| 179 | C | 96.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.034 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 154.6 | 171.5 | -65.3 | 0 | 0 | 0 | 0 | 110.6 | R28 S176 N181 | R28-C179 WeakPolarHBondContact O-CB 3.29Å; S176-C179 WeakPolarHBondContact O-CB 3.29Å; S176-C179 PolarHBondContact O-N 3.09Å; S176-C179 VanDerWaalsContact O-N 3.15Å; C179-N181 VanDerWaalsContact C-N 3.3Å; C179-N181 PolarHBondContact O-N 3.22Å |
| 180 | E | 94.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 52% | 0.523 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -59.7 | -42.7 | 177.4 | -174.4 | 172.1 | 163.3 | 0 | 0 | 112.2 | N29 R150 | N29-E180 HydrophobicContact CB-CB 3.68Å; N29-E180 PolarHBondContact O-N 2.97Å; N29-E180 VanDerWaalsContact O-N 3.09Å; R150-E180 IonicContact NH2-OE2 2.69Å |
| 181 | N | 94.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 47.7 Ų | 47.7 | 57% | 0.572 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -92.3 | 97 | 163.3 | -172.5 | 13.6 | 0 | 0 | 0 | 108.5 | C179 T184 | C179-N181 VanDerWaalsContact C-N 3.3Å; C179-N181 PolarHBondContact O-N 3.22Å; N181-T184 VanDerWaalsContact CG-OG1 3.31Å; N181-T184 PolarHBondContact ND2-OG1 3.03Å; N181-T184 VanDerWaalsContact ND2-OG1 3.09Å; N181-T184 WeakPolarHBondContact O-CB 3.43Å; N181-T184 PolarHBondContact O-N 3.09Å; N181-T184 PolarHBondContact OD1-OG1 3.23Å |
| 182 | Q | 97.1 | Very high | 97 | Very high | 122 Ų | 122 | 49.4 Ų | 49.4 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 146.5 | -172.2 | -64 | -174.8 | -13.9 | 0 | 0 | 112.1 | E177 T184 | E177-Q182 WeakPolarHBondContact O-CG 3.44Å; Q182-T184 PolarHBondContact O-N 2.91Å; Q182-T184 VanDerWaalsContact O-N 3.09Å; Q182-T184 PolarHBondContact O-OG1 3.3Å |
| 183 | F | 96.9 | Very high | 96.9 | Very high | 142 Ų | 142 | 52 Ų | 52 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 25.3 | 179.4 | -54.9 | -70.9 | 0 | 0 | 0 | 114.2 | S176 E177 | S176-F183 PolarHBondContact O-N 3.15Å; E177-F183 HydrophobicContact CB-CD1 4.19Å; E177-F183 HydrophobicContact CB-CE1 3.53Å; E177-F183 HydrophobicContact CB-CE2 4.41Å; E177-F183 HydrophobicContact CB-CZ 3.66Å |
| 184 | T | 96.4 | Very high | 96.6 | Very high | 64 Ų | 64 | 54.8 Ų | 54.8 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | trans | -114.5 | 137.3 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | N181 Q182 | N181-T184 VanDerWaalsContact CG-OG1 3.31Å; N181-T184 PolarHBondContact ND2-OG1 3.03Å; N181-T184 VanDerWaalsContact ND2-OG1 3.09Å; N181-T184 WeakPolarHBondContact O-CB 3.43Å; N181-T184 PolarHBondContact O-N 3.09Å; N181-T184 PolarHBondContact OD1-OG1 3.23Å; Q182-T184 PolarHBondContact O-N 2.91Å; Q182-T184 VanDerWaalsContact O-N 3.09Å; Q182-T184 PolarHBondContact O-OG1 3.3Å | ||
| 185 | V | 97.3 | Very high | 96.4 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 18% | 0.176 | 29% | 0.291 | C | S | . | . | trans | -123.1 | 133.1 | 175.2 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | A25 L27 V172 P201 | A25-V185 HydrophobicContact CB-CG1 4.01Å; L27-V185 HydrophobicContact CD2-CB 4.48Å; L27-V185 HydrophobicContact CD2-CG1 4.17Å; L27-V185 HydrophobicContact CD2-CG2 4.03Å; V172-V185 HydrophobicContact CB-CG1 3.95Å; V172-V185 HydrophobicContact CB-CG2 3.76Å; V172-V185 HydrophobicContact CG1-CG1 4.06Å; V172-V185 HydrophobicContact CG2-CG1 4.33Å; V172-V185 HydrophobicContact CG2-CG2 4.01Å; V185-P201 HydrophobicContact CB-CG 4.21Å; V185-P201 HydrophobicContact CG1-CG 3.78Å | ||
| 186 | E | 96.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 58.9 Ų | 58.9 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 124.2 | 170.7 | 171.4 | 176.7 | 136.8 | 0 | 0 | 108.7 | P2 V26 R28 | P2-E186 WeakPolarHBondContact CG-OE2 3.48Å; V26-E186 HydrophobicContact CB-CB 3.9Å; V26-E186 HydrophobicContact CB-CG 4.07Å; V26-E186 HydrophobicContact CG1-CB 4.23Å; V26-E186 HydrophobicContact CG1-CG 4.48Å; V26-E186 PolarHBondContact N-O 3.05Å; V26-E186 PolarHBondContact O-N 3.05Å; R28-E186 WeakPolarHBondContact CD-OE2 3.41Å; R28-E186 HydrophobicContact CG-CB 4.24Å; R28-E186 WeakPolarHBondContact CG-OE2 3.43Å; R28-E186 IonicContact CZ-OE1 2.81Å; R28-E186 IonicContact CZ-OE2 3.53Å; R28-E186 IonicContact NE-OE1 3.54Å; R28-E186 PolarHBondContact NE-OE1 3.1Å; R28-E186 IonicContact NE-OE2 3.56Å; R28-E186 PolarHBondContact NE-OE2 2.91Å; R28-E186 IonicContact NH2-OE1 3.54Å; R28-E186 PolarHBondContact NH2-OE1 3.22Å; R28-E186 IonicContact NH2-OE2 3.38Å |
| 187 | A | 97 | Very high | 96.1 | Very high | 29 Ų | 29 | 61 Ų | 61 | 24% | 0.24 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 152.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I6 T199 F200 | I6-A187 HydrophobicContact CD1-CB 4.28Å; I6-A187 WeakPolarHBondContact CD1-O 3.23Å; I6-A187 WeakPolarHBondContact CG1-O 3.18Å; A187-T199 HydrophobicContact CB-CG2 3.35Å; A187-F200 CarbonylContact C-O 3.57Å; A187-F200 WeakPolarHBondContact CA-O 3.15Å; A187-F200 WeakPolarHBondContact CB-O 3.4Å |
| 188 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.2 | 175 | 177 | 0 | 0 | 0 | 0 | 108.6 | Q7 L9 A24 A25 V26 F153 V190 T199 F200 | Q7-V188 HydrophobicContact CB-CG1 4.46Å; Q7-V188 HydrophobicContact CB-CG2 4.17Å; Q7-V188 WeakPolarHBondContact O-CA 3.41Å; Q7-V188 WeakPolarHBondContact O-CG1 3.11Å; L9-V188 HydrophobicContact CB-CG1 4.3Å; A24-V188 HydrophobicContact CB-CB 4.16Å; A24-V188 HydrophobicContact CB-CG1 3.91Å; A24-V188 HydrophobicContact CB-CG2 4.29Å; A25-V188 VanDerWaalsContact CA-CG2 3.5Å; V26-V188 HydrophobicContact CG2-CG2 3.85Å; F153-V188 HydrophobicContact CD2-CG2 4.46Å; F153-V188 HydrophobicContact CE2-CG1 4.23Å; F153-V188 HydrophobicContact CE2-CG2 4.1Å; V188-V190 HydrophobicContact CG1-CG2 4.42Å; V188-T199 WeakPolarHBondContact O-CA 3.27Å; V188-F200 PolarHBondContact N-O 3.44Å; V188-F200 PolarHBondContact O-N 2.88Å |
| 189 | E | 98.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115.7 | 171.7 | -168 | -171.5 | 161.1 | 0 | 0 | 109.6 | I6 Q7 K8 L9 S197 | I6-E189 HydrophobicContact CD1-CB 4.38Å; I6-E189 HydrophobicContact CG2-CB 4.12Å; Q7-E189 PolarHBondContact O-N 3.3Å; K8-E189 CarbonylContact C-O 3.52Å; K8-E189 VanDerWaalsContact CA-O 3.24Å; K8-E189 WeakPolarHBondContact CA-O 3.34Å; K8-E189 WeakPolarHBondContact CE-OE2 3.02Å; K8-E189 IonicContact NZ-OE1 3.62Å; K8-E189 IonicContact NZ-OE2 2.87Å; K8-E189 PolarHBondContact NZ-OE2 3.28Å; K8-E189 VanDerWaalsContact NZ-OE2 3.12Å; L9-E189 PolarHBondContact N-O 2.92Å; E189-S197 WeakPolarHBondContact CG-OG 3.32Å; E189-S197 WeakPolarHBondContact OE1-CB 3.38Å; E189-S197 PolarHBondContact OE1-OG 3.02Å |
| 190 | V | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.2 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | L9 I11 V188 S197 S198 F200 | L9-V190 HydrophobicContact CB-CG2 4.34Å; L9-V190 CarbonylContact O-C 3.41Å; L9-V190 VanDerWaalsContact O-CA 3.31Å; L9-V190 WeakPolarHBondContact O-CA 3.32Å; I11-V190 HydrophobicContact CD1-CG1 3.67Å; I11-V190 HydrophobicContact CG1-CG1 4.13Å; V188-V190 HydrophobicContact CG1-CG2 4.42Å; V190-S197 WeakPolarHBondContact O-CA 3.5Å; V190-S198 PolarHBondContact N-O 3.45Å; V190-S198 PolarHBondContact O-N 3.17Å; V190-F200 HydrophobicContact CB-CD2 3.79Å; V190-F200 HydrophobicContact CB-CE2 3.86Å; V190-F200 HydrophobicContact CG1-CE2 4.48Å; V190-F200 HydrophobicContact CG2-CD2 3.52Å; V190-F200 HydrophobicContact CG2-CE2 4.07Å; V190-F200 HydrophobicContact CG2-CG 4.49Å |
| 191 | V | 97.9 | Very high | 96.3 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117 | 179.7 | -174 | 0 | 0 | 0 | 0 | 108.8 | K8 L9 V10 I11 | K8-V191 HydrophobicContact CD-CG2 4.04Å; K8-V191 HydrophobicContact CG-CG2 4.13Å; L9-V191 PolarHBondContact O-N 3.27Å; V10-V191 HydrophobicContact CG1-CB 4.43Å; V10-V191 HydrophobicContact CG2-CB 4.35Å; V10-V191 HydrophobicContact CG2-CG2 4.45Å; I11-V191 WeakPolarHBondContact CB-O 3.49Å; I11-V191 PolarHBondContact N-O 3.31Å |
| 192 | S | 95.1 | Very high | 96.2 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -74.7 | 162.4 | 177.2 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | N194 G195 K196 | S192-N194 VanDerWaalsContact CB-OD1 3.23Å; S192-N194 WeakPolarHBondContact CB-OD1 3.39Å; S192-N194 PolarHBondContact O-N 3.29Å; S192-N194 VanDerWaalsContact O-N 3.09Å; S192-G195 PolarHBondContact O-N 2.91Å; S192-K196 WeakPolarHBondContact CB-O 3.32Å; S192-K196 PolarHBondContact N-O 3.42Å | ||
| 193 | P | 94.3 | Very high | 96 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.2 | -179.6 | -25.3 | 34.7 | 0 | 0 | 0 | 114.3 | I11 E13 G195 | I11-P193 HydrophobicContact CB-CG 4.34Å; I11-P193 HydrophobicContact CG2-CG 3.89Å; I11-P193 WeakPolarHBondContact O-CA 3.35Å; E13-P193 HydrophobicContact CG-CB 3.81Å; P193-G195 PolarHBondContact O-N 3.42Å |
| 194 | N | 92.1 | Very high | 95.8 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 9.4 | 175.3 | 66.5 | -0.3 | 0 | 0 | 0 | 114.1 | S192 K196 | S192-N194 VanDerWaalsContact CB-OD1 3.23Å; S192-N194 WeakPolarHBondContact CB-OD1 3.39Å; S192-N194 PolarHBondContact O-N 3.29Å; S192-N194 VanDerWaalsContact O-N 3.09Å; N194-K196 PolarHBondContact O-N 3.37Å; N194-K196 WeakPolarHBondContact OD1-CB 3.37Å; N194-K196 PolarHBondContact OD1-N 3.05Å |
| 195 | G | 92.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 77 | -2.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S192 P193 S197 | S192-G195 PolarHBondContact O-N 2.91Å; P193-G195 PolarHBondContact O-N 3.42Å; G195-S197 PolarHBondContact O-N 2.87Å |
| 196 | K | 94.6 | Very high | 95.3 | Very high | 133 Ų | 133 | 65.5 Ų | 65.5 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | trans | -72.6 | 127.6 | 176.9 | -172.5 | 178 | 177.9 | 180 | 0 | 110.2 | S192 N194 | S192-K196 WeakPolarHBondContact CB-O 3.32Å; S192-K196 PolarHBondContact N-O 3.42Å; N194-K196 PolarHBondContact O-N 3.37Å; N194-K196 WeakPolarHBondContact OD1-CB 3.37Å; N194-K196 PolarHBondContact OD1-N 3.05Å | ||
| 197 | S | 95.7 | Very high | 95.1 | Very high | 51 Ų | 51 | 74 Ų | 74 | 36% | 0.357 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.6 | 175.5 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | E189 V190 G195 | E189-S197 WeakPolarHBondContact CG-OG 3.32Å; E189-S197 WeakPolarHBondContact OE1-CB 3.38Å; E189-S197 PolarHBondContact OE1-OG 3.02Å; V190-S197 WeakPolarHBondContact O-CA 3.5Å; G195-S197 PolarHBondContact O-N 2.87Å |
| 198 | S | 96.7 | Very high | 95.1 | Very high | 39 Ų | 39 | 79.6 Ų | 79.6 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.8 | 175.3 | -67.2 | 0 | 0 | 0 | 0 | 109.8 | V190 | V190-S198 PolarHBondContact N-O 3.45Å; V190-S198 PolarHBondContact O-N 3.17Å |
| 199 | T | 97.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 88.5 Ų | 88.5 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.2 | -178.6 | -56.1 | 0 | 0 | 0 | 0 | 110.8 | I6 A187 V188 | I6-T199 HydrophobicContact CD1-CG2 4.37Å; A187-T199 HydrophobicContact CB-CG2 3.35Å; V188-T199 WeakPolarHBondContact O-CA 3.27Å |
| 200 | F | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 90.8 Ų | 90.8 | 2% | 0.018 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.9 | 179.2 | -66 | -83 | 0 | 0 | 0 | 111.7 | V23 A24 F161 K165 L168 A187 V188 V190 E202 | V23-F200 HydrophobicContact CB-CB 4.5Å; V23-F200 HydrophobicContact CB-CD1 4.09Å; V23-F200 HydrophobicContact CB-CD2 4.36Å; V23-F200 HydrophobicContact CB-CE1 4.45Å; V23-F200 HydrophobicContact CB-CG 4.05Å; V23-F200 HydrophobicContact CG1-CD1 3.79Å; V23-F200 HydrophobicContact CG1-CD2 4.15Å; V23-F200 HydrophobicContact CG1-CE1 3.65Å; V23-F200 HydrophobicContact CG1-CE2 3.99Å; V23-F200 HydrophobicContact CG1-CG 4.04Å; V23-F200 HydrophobicContact CG1-CZ 3.76Å; A24-F200 CarbonylContact O-C 3.58Å; A24-F200 VanDerWaalsContact O-CB 3.26Å; A24-F200 WeakPolarHBondContact O-CB 3.28Å; F161-F200 HydrophobicContact CE2-CE1 4.46Å; F161-F200 HydrophobicContact CE2-CZ 4.02Å; F161-F200 HydrophobicContact CZ-CE1 4.11Å; F161-F200 AromaticContact CZ-CZ 3.75Å; F161-F200 HydrophobicContact CZ-CZ 3.75Å; K165-F200 HydrophobicContact CD-CE1 3.96Å; K165-F200 HydrophobicContact CG-CD1 4.33Å; K165-F200 HydrophobicContact CG-CE1 3.85Å; L168-F200 HydrophobicContact CD2-CB 4.02Å; A187-F200 CarbonylContact C-O 3.57Å; A187-F200 WeakPolarHBondContact CA-O 3.15Å; A187-F200 WeakPolarHBondContact CB-O 3.4Å; V188-F200 PolarHBondContact N-O 3.44Å; V188-F200 PolarHBondContact O-N 2.88Å; V190-F200 HydrophobicContact CB-CD2 3.79Å; V190-F200 HydrophobicContact CB-CE2 3.86Å; V190-F200 HydrophobicContact CG1-CE2 4.48Å; V190-F200 HydrophobicContact CG2-CD2 3.52Å; V190-F200 HydrophobicContact CG2-CE2 4.07Å; V190-F200 HydrophobicContact CG2-CG 4.49Å; F200-E202 HydrophobicContact CD1-CG 4.08Å; F200-E202 HydrophobicContact CE1-CG 4.07Å; F200-E202 WeakPolarHBondContact CE1-OE1 3.47Å |
| 201 | P | 96.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 98.8 Ų | 98.8 | 11% | 0.11 | 50% | 0.496 | C | S | . | . | cis | -70.6 | 152.3 | -4.3 | 35.6 | -38 | 0 | 0 | 0 | 111 | A25 L168 D169 V172 V185 L203 | A25-P201 HydrophobicContact CB-CG 4.47Å; L168-P201 HydrophobicContact CD2-CB 4.3Å; D169-P201 VanDerWaalsContact OD1-CB 3.24Å; D169-P201 WeakPolarHBondContact OD1-CB 3.46Å; V172-P201 HydrophobicContact CG2-CB 4.16Å; V172-P201 HydrophobicContact CG2-CG 4.02Å; V185-P201 HydrophobicContact CB-CG 4.21Å; V185-P201 HydrophobicContact CG1-CG 3.78Å; P201-L203 HydrophobicContact CB-CD2 4.07Å; P201-L203 HydrophobicContact CB-CG 3.9Å; P201-L203 HydrophobicContact CG-CD1 3.97Å; P201-L203 HydrophobicContact CG-CD2 4.38Å; P201-L203 HydrophobicContact CG-CG 3.89Å | ||
| 202 | E | 93.9 | Very high | 94.8 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | trans | -81.1 | -31.8 | 179.9 | -72.6 | 175.7 | -143.2 | 0 | 0 | 112.2 | K165 F200 P204 | K165-E202 WeakPolarHBondContact CE-OE1 3.44Å; K165-E202 IonicContact NZ-OE1 3.03Å; K165-E202 PolarHBondContact NZ-OE1 2.69Å; K165-E202 IonicContact NZ-OE2 2.68Å; K165-E202 PolarHBondContact NZ-OE2 2.91Å; F200-E202 HydrophobicContact CD1-CG 4.08Å; F200-E202 HydrophobicContact CE1-CG 4.07Å; F200-E202 WeakPolarHBondContact CE1-OE1 3.47Å; E202-P204 VanDerWaalsContact C-CD 3.49Å | ||
| 203 | L | 93.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 102.2 Ų | 102.2 | 32% | 0.319 | 51% | 0.514 | S | S | . | . | trans | 40.4 | 54.3 | -178 | -56.5 | 179.4 | 0 | 0 | 0 | 114.2 | D169 V172 T173 P201 Y205 | D169-L203 HydrophobicContact CB-CD2 3.92Å; V172-L203 HydrophobicContact CG2-CD2 4.37Å; T173-L203 HydrophobicContact CG2-CD2 3.61Å; P201-L203 HydrophobicContact CB-CD2 4.07Å; P201-L203 HydrophobicContact CB-CG 3.9Å; P201-L203 HydrophobicContact CG-CD1 3.97Å; P201-L203 HydrophobicContact CG-CD2 4.38Å; P201-L203 HydrophobicContact CG-CG 3.89Å; L203-Y205 PolarHBondContact O-N 3.44Å | ||
| 204 | P | 91.6 | Very high | 95.1 | Very high | 86 Ų | 86 | 103.1 Ų | 103.1 | 56% | 0.558 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 127.8 | -175.1 | 30.1 | -34.7 | 0 | 0 | 0 | 111.6 | E202 | E202-P204 VanDerWaalsContact C-CD 3.49Š|
| 205 | Y | 90.9 | Very high | 95.3 | Very high | 221 Ų | 221 | 98.9 Ų | 98.9 | 87% | 0.867 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 117.3 | 169 | -74.1 | -96 | 0 | 0 | 0 | 110.1 | L203 | L203-Y205 PolarHBondContact O-N 3.44Š|
| 206 | R | 92.1 | Very high | 95.6 | Very high | 201 Ų | 201 | 97.5 Ų | 97.5 | 76% | 0.758 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 135.6 | 173.6 | -67.9 | 173.4 | 63.6 | -172.9 | 2.1 | 109.8 | E208 | R206-E208 IonicContact CZ-OE1 2.63Å; R206-E208 IonicContact NE-OE1 3.44Å; R206-E208 IonicContact NH2-OE1 3.6Å; R206-E208 PolarHBondContact NH2-OE1 2.63Å |
| 207 | K | 94 | Very high | 95.8 | Very high | 205 Ų | 205 | 99.8 Ų | 99.8 | 89% | 0.891 | 48% | 0.482 | S | S | * | . | trans | -118.5 | 116.4 | 170.9 | -65.8 | -176.3 | -179.2 | -179.8 | 0 | 108.1 | ||||
| 208 | E | 94.9 | Very high | 95.9 | Very high | 146 Ų | 146 | 105.5 Ų | 105.5 | 68% | 0.682 | 50% | 0.5 | S | S | * | . | trans | -125.2 | 152 | 175.3 | -67 | -171.8 | -172.3 | 0 | 0 | 109.6 | R206 | R206-E208 IonicContact CZ-OE1 2.63Å; R206-E208 IonicContact NE-OE1 3.44Å; R206-E208 IonicContact NH2-OE1 3.6Å; R206-E208 PolarHBondContact NH2-OE1 2.63Å | ||
| 209 | M | 95.8 | Very high | 95.9 | Very high | 187 Ų | 187 | 108.3 Ų | 108.3 | 92% | 0.921 | 52% | 0.515 | S | S | * | . | trans | -115.7 | 130.2 | -177.7 | -172.1 | -175.7 | -66.7 | 0 | 0 | 109.9 | ||||
| 210 | V | 96.3 | Very high | 95.9 | Very high | 90 Ų | 90 | 107.9 Ų | 107.9 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | trans | -128.6 | 138.9 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | L214 I215 | V210-L214 HydrophobicContact CG1-CD2 4.22Å; V210-I215 HydrophobicContact CG1-CD1 4.06Å; V210-I215 HydrophobicContact CG1-CG1 3.76Å | ||
| 211 | R | 97.6 | Very high | 95.9 | Very high | 170 Ų | 170 | 110.9 Ų | 110.9 | 64% | 0.642 | 54% | 0.541 | S | S | * | . | trans | -76.9 | 134.5 | 177.2 | -61.6 | -167.5 | -61.7 | 134.7 | -3.3 | 111 | D213 L214 I215 | R211-D213 VanDerWaalsContact C-N 3.29Å; R211-D213 PolarHBondContact O-N 3.01Å; R211-L214 HydrophobicContact CB-CB 4.33Å; R211-L214 WeakPolarHBondContact O-CB 3.35Å; R211-L214 PolarHBondContact O-N 3.46Å; R211-I215 PolarHBondContact O-N 2.94Å | ||
| 212 | A | 97.5 | Very high | 95.9 | Very high | 23 Ų | 23 | 121.6 Ų | 121.6 | 19% | 0.19 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -54.8 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L214 I215 N216 P225 L228 | A212-L214 PolarHBondContact O-N 3.19Å; A212-I215 PolarHBondContact O-N 3.46Å; A212-I215 VanDerWaalsContact O-N 3.11Å; A212-N216 PolarHBondContact O-N 2.96Å; A212-P225 HydrophobicContact CB-CB 3.99Å; A212-P225 HydrophobicContact CB-CG 3.81Å; A212-L228 HydrophobicContact CB-CD1 3.87Å |
| 213 | D | 97.4 | Very high | 96.1 | Very high | 111 Ų | 111 | 121.1 Ų | 121.1 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.1 | -33.3 | 178.1 | -58.4 | -31.8 | 0 | 0 | 0 | 112.8 | R211 K217 | R211-D213 VanDerWaalsContact C-N 3.29Å; R211-D213 PolarHBondContact O-N 3.01Å; D213-K217 WeakPolarHBondContact O-CB 3.04Å; D213-K217 PolarHBondContact O-N 3.43Å |
| 214 | L | 97.9 | Very high | 96.3 | Very high | 74 Ų | 74 | 121.7 Ų | 121.7 | 39% | 0.387 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.4 | -43.1 | 177 | 179.4 | 63.3 | 0 | 0 | 0 | 110.5 | V210 R211 A212 K217 K218 | V210-L214 HydrophobicContact CG1-CD2 4.22Å; R211-L214 HydrophobicContact CB-CB 4.33Å; R211-L214 WeakPolarHBondContact O-CB 3.35Å; R211-L214 PolarHBondContact O-N 3.46Å; A212-L214 PolarHBondContact O-N 3.19Å; L214-K217 PolarHBondContact O-N 2.93Å; L214-K218 HydrophobicContact CD1-CG 3.86Å; L214-K218 HydrophobicContact CG-CG 4.34Å; L214-K218 VanDerWaalsContact O-CB 3.28Å; L214-K218 WeakPolarHBondContact O-CB 3.44Å; L214-K218 VanDerWaalsContact O-CG 3.27Å; L214-K218 WeakPolarHBondContact O-CG 3.18Å; L214-K218 PolarHBondContact O-N 2.91Å |
| 215 | I | 97.4 | Very high | 96.6 | Very high | 36 Ų | 36 | 121.9 Ų | 121.9 | 19% | 0.185 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -62.1 | -53 | 178.1 | -58.2 | 173.4 | 0 | 0 | 0 | 109.5 | V210 R211 A212 K217 K218 V219 L228 L232 | V210-I215 HydrophobicContact CG1-CD1 4.06Å; V210-I215 HydrophobicContact CG1-CG1 3.76Å; R211-I215 PolarHBondContact O-N 2.94Å; A212-I215 PolarHBondContact O-N 3.46Å; A212-I215 VanDerWaalsContact O-N 3.11Å; I215-K217 VanDerWaalsContact C-N 3.33Å; I215-K217 PolarHBondContact O-N 3.24Å; I215-K218 PolarHBondContact O-N 3.25Å; I215-V219 HydrophobicContact CG2-CG2 4.16Å; I215-V219 WeakPolarHBondContact O-CB 3.32Å; I215-V219 WeakPolarHBondContact O-CG2 3.41Å; I215-V219 PolarHBondContact O-N 3.27Å; I215-L228 HydrophobicContact CB-CD1 4.25Å; I215-L228 HydrophobicContact CG2-CD1 4.39Å; I215-L228 HydrophobicContact CG2-CD2 3.93Å; I215-L232 HydrophobicContact CD1-CD1 4.17Å |
| 216 | N | 98 | Very high | 96.9 | Very high | 27 Ų | 27 | 114.3 Ų | 114.3 | 14% | 0.144 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -54.6 | -48.3 | 177.6 | -81.1 | -28.9 | 0 | 0 | 0 | 111.6 | A212 K218 G220 I221 E223 | A212-N216 PolarHBondContact O-N 2.96Å; N216-K218 PolarHBondContact O-N 3.3Å; N216-G220 WeakPolarHBondContact O-CA 3.24Å; N216-G220 PolarHBondContact O-N 2.91Å; N216-I221 WeakPolarHBondContact CA-O 3.41Å; N216-I221 VanDerWaalsContact CB-O 3.3Å; N216-I221 WeakPolarHBondContact CB-O 3.34Å; N216-I221 PolarHBondContact O-N 3.23Å; N216-I221 PolarHBondContact OD1-O 3.07Å; N216-E223 PolarHBondContact ND2-O 3.35Å; N216-E223 PolarHBondContact OD1-N 3.46Å |
| 217 | K | 98.2 | Very high | 97.2 | Very high | 181 Ų | 181 | 107.6 Ų | 107.6 | 79% | 0.787 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.3 | -38.5 | 179.5 | -175.7 | 175.2 | -178.7 | 176.2 | 0 | 113.1 | D213 L214 I215 | D213-K217 WeakPolarHBondContact O-CB 3.04Å; D213-K217 PolarHBondContact O-N 3.43Å; L214-K217 PolarHBondContact O-N 2.93Å; I215-K217 VanDerWaalsContact C-N 3.33Å; I215-K217 PolarHBondContact O-N 3.24Å |
| 218 | K | 97.9 | Very high | 97.4 | Very high | 172 Ų | 172 | 98.3 Ų | 98.3 | 75% | 0.748 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79.8 | -35.9 | -176.3 | -75.1 | -71.5 | -176.3 | 177.7 | 0 | 113.1 | L214 I215 N216 | L214-K218 HydrophobicContact CD1-CG 3.86Å; L214-K218 HydrophobicContact CG-CG 4.34Å; L214-K218 VanDerWaalsContact O-CB 3.28Å; L214-K218 WeakPolarHBondContact O-CB 3.44Å; L214-K218 VanDerWaalsContact O-CG 3.27Å; L214-K218 WeakPolarHBondContact O-CG 3.18Å; L214-K218 PolarHBondContact O-N 2.91Å; I215-K218 PolarHBondContact O-N 3.25Å; N216-K218 PolarHBondContact O-N 3.3Å |
| 219 | V | 97.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 93.7 Ų | 93.7 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -84.3 | -28.3 | 179.7 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | I215 I221 | I215-V219 HydrophobicContact CG2-CG2 4.16Å; I215-V219 WeakPolarHBondContact O-CB 3.32Å; I215-V219 WeakPolarHBondContact O-CG2 3.41Å; I215-V219 PolarHBondContact O-N 3.27Å; V219-I221 HydrophobicContact CB-CD1 4.5Å; V219-I221 HydrophobicContact CB-CG1 4.07Å; V219-I221 HydrophobicContact CG1-CD1 4.17Å; V219-I221 HydrophobicContact CG1-CG1 3.98Å; V219-I221 HydrophobicContact CG1-CG2 4.04Å |
| 220 | G | 97.5 | Very high | 97.6 | Very high | 67 Ų | 67 | 91.4 Ų | 91.4 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | 28.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N216 | N216-G220 WeakPolarHBondContact O-CA 3.24Å; N216-G220 PolarHBondContact O-N 2.91Å |
| 221 | I | 97.8 | Very high | 97.7 | Very high | 67 Ų | 67 | 90.9 Ų | 90.9 | 34% | 0.344 | 47% | 0.473 | S | S | . | . | trans | -116.5 | 170.9 | 179.1 | 58.9 | 167.9 | 0 | 0 | 0 | 111.2 | N216 V219 E223 L228 | N216-I221 WeakPolarHBondContact CA-O 3.41Å; N216-I221 VanDerWaalsContact CB-O 3.3Å; N216-I221 WeakPolarHBondContact CB-O 3.34Å; N216-I221 PolarHBondContact O-N 3.23Å; N216-I221 PolarHBondContact OD1-O 3.07Å; V219-I221 HydrophobicContact CB-CD1 4.5Å; V219-I221 HydrophobicContact CB-CG1 4.07Å; V219-I221 HydrophobicContact CG1-CD1 4.17Å; V219-I221 HydrophobicContact CG1-CG1 3.98Å; V219-I221 HydrophobicContact CG1-CG2 4.04Å; I221-E223 HydrophobicContact CD1-CB 4.48Å; I221-E223 HydrophobicContact CD1-CG 4.04Å; I221-L228 HydrophobicContact CD1-CD2 3.98Å | ||
| 222 | R | 96.9 | Very high | 97.6 | Very high | 242 Ų | 242 | 86.1 Ų | 86.1 | 91% | 0.913 | 46% | 0.46 | S | S | * | . | trans | -132.7 | 79.5 | 177.2 | -66.3 | -175.6 | -178.6 | -175.6 | 0.7 | 110.5 | ||||
| 223 | E | 97.5 | Very high | 97.6 | Very high | 78 Ų | 78 | 89.5 Ų | 89.5 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | trans | -109.7 | 154.8 | 177.4 | -73.4 | -63.2 | 157.8 | 0 | 0 | 112 | N216 I221 N227 L228 | N216-E223 PolarHBondContact ND2-O 3.35Å; N216-E223 PolarHBondContact OD1-N 3.46Å; I221-E223 HydrophobicContact CD1-CB 4.48Å; I221-E223 HydrophobicContact CD1-CG 4.04Å; E223-N227 HydrophobicContact CB-CB 4.38Å; E223-N227 WeakPolarHBondContact OE2-CB 3.3Å; E223-N227 PolarHBondContact OE2-ND2 3.46Å; E223-L228 HydrophobicContact CB-CD2 3.85Å; E223-L228 HydrophobicContact CB-CG 3.85Å | ||
| 224 | T | 98 | Very high | 97.6 | Very high | 74 Ų | 74 | 93.7 Ų | 93.7 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | trans | -71.6 | 153.3 | 172 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | A226 N227 L228 | T224-A226 PolarHBondContact O-N 2.83Å; T224-A226 VanDerWaalsContact O-N 3.16Å; T224-N227 PolarHBondContact O-N 3.39Å; T224-N227 PolarHBondContact OG1-N 2.86Å; T224-L228 PolarHBondContact O-N 2.93Å | ||
| 225 | P | 97.6 | Very high | 97.5 | Very high | 90 Ų | 90 | 97 Ų | 97 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -53.8 | -35.7 | 175.5 | -26.8 | 34.4 | 0 | 0 | 0 | 113.5 | A212 L228 A229 | A212-P225 HydrophobicContact CB-CB 3.99Å; A212-P225 HydrophobicContact CB-CG 3.81Å; P225-L228 PolarHBondContact O-N 3Å; P225-A229 WeakPolarHBondContact O-CB 3.45Å; P225-A229 PolarHBondContact O-N 3.11Å |
| 226 | A | 97.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 101.1 Ų | 101.1 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T224 K230 | T224-A226 PolarHBondContact O-N 2.83Å; T224-A226 VanDerWaalsContact O-N 3.16Å; A226-K230 WeakPolarHBondContact O-CG 3.4Å; A226-K230 PolarHBondContact O-N 3.16Å |
| 227 | N | 97.8 | Very high | 96.7 | Very high | 61 Ų | 61 | 107.8 Ų | 107.8 | 33% | 0.326 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.2 | -41 | 175.5 | -75.6 | -9.1 | 0 | 0 | 0 | 111.7 | E223 T224 A229 K230 L231 | E223-N227 HydrophobicContact CB-CB 4.38Å; E223-N227 WeakPolarHBondContact OE2-CB 3.3Å; E223-N227 PolarHBondContact OE2-ND2 3.46Å; T224-N227 PolarHBondContact O-N 3.39Å; T224-N227 PolarHBondContact OG1-N 2.86Å; N227-A229 VanDerWaalsContact C-N 3.32Å; N227-A229 PolarHBondContact O-N 2.91Å; N227-K230 WeakPolarHBondContact O-CB 3.5Å; N227-K230 PolarHBondContact O-N 3.31Å; N227-L231 WeakPolarHBondContact O-CG 3.36Å; N227-L231 PolarHBondContact O-N 2.94Å |
| 228 | L | 97.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 104.2 Ų | 104.2 | 5% | 0.047 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -59.4 | -43.2 | 174.9 | -70.6 | 174.9 | 0 | 0 | 0 | 111.7 | A212 I215 I221 E223 T224 P225 K230 L231 L232 | A212-L228 HydrophobicContact CB-CD1 3.87Å; I215-L228 HydrophobicContact CB-CD1 4.25Å; I215-L228 HydrophobicContact CG2-CD1 4.39Å; I215-L228 HydrophobicContact CG2-CD2 3.93Å; I221-L228 HydrophobicContact CD1-CD2 3.98Å; E223-L228 HydrophobicContact CB-CD2 3.85Å; E223-L228 HydrophobicContact CB-CG 3.85Å; T224-L228 PolarHBondContact O-N 2.93Å; P225-L228 PolarHBondContact O-N 3Å; L228-K230 PolarHBondContact O-N 3.18Å; L228-L231 PolarHBondContact O-N 3.35Å; L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 3.22Å |
| 229 | A | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 100.6 Ų | 100.6 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P225 N227 L231 L232 T233 | P225-A229 WeakPolarHBondContact O-CB 3.45Å; P225-A229 PolarHBondContact O-N 3.11Å; N227-A229 VanDerWaalsContact C-N 3.32Å; N227-A229 PolarHBondContact O-N 2.91Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 2.91Å; A229-L232 PolarHBondContact O-N 3.06Å; A229-T233 PolarHBondContact O-N 2.95Å; A229-T233 PolarHBondContact O-OG1 3.28Å |
| 230 | K | 97.8 | Very high | 96.5 | Very high | 140 Ų | 140 | 100.7 Ų | 100.7 | 61% | 0.609 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.4 | -39.4 | 175.6 | -69.7 | 174.5 | -177 | 176.6 | 0 | 112.8 | A226 N227 L228 R234 | A226-K230 WeakPolarHBondContact O-CG 3.4Å; A226-K230 PolarHBondContact O-N 3.16Å; N227-K230 WeakPolarHBondContact O-CB 3.5Å; N227-K230 PolarHBondContact O-N 3.31Å; L228-K230 PolarHBondContact O-N 3.18Å; K230-R234 WeakPolarHBondContact O-CG 3.43Å; K230-R234 PolarHBondContact O-N 3Å |
| 231 | L | 97.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 102.7 Ų | 102.7 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 177.4 | -69.7 | 173.9 | 0 | 0 | 0 | 111.7 | N227 L228 A229 R234 | N227-L231 WeakPolarHBondContact O-CG 3.36Å; N227-L231 PolarHBondContact O-N 2.94Å; L228-L231 PolarHBondContact O-N 3.35Å; A229-L231 VanDerWaalsContact C-N 3.31Å; A229-L231 PolarHBondContact O-N 2.91Å; L231-R234 PolarHBondContact O-N 3.42Å |
| 232 | L | 96.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 104.9 Ų | 104.9 | 37% | 0.366 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176 | -68.7 | 171.6 | 0 | 0 | 0 | 111.7 | I215 L228 A229 R234 M235 L237 | I215-L232 HydrophobicContact CD1-CD1 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.41Å; L228-L232 PolarHBondContact O-N 3.22Å; A229-L232 PolarHBondContact O-N 3.06Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R234 PolarHBondContact O-N 3.19Å; L232-M235 CarbonylContact O-C 3.59Å; L232-M235 WeakPolarHBondContact O-CA 3.49Å; L232-M235 WeakPolarHBondContact O-CB 3.37Å; L232-M235 PolarHBondContact O-N 3.2Å; L232-L237 HydrophobicContact CB-CB 4.25Å; L232-L237 HydrophobicContact CD2-CD1 3.98Å; L232-L237 PolarHBondContact O-N 2.87Å |
| 233 | T | 97.1 | Very high | 96.4 | Very high | 94 Ų | 94 | 95.8 Ų | 95.8 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.6 | -36.2 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | A229 M235 C236 L237 | A229-T233 PolarHBondContact O-N 2.95Å; A229-T233 PolarHBondContact O-OG1 3.28Å; T233-M235 PolarHBondContact O-N 3.03Å; T233-C236 PolarHBondContact O-N 3.38Å; T233-C236 VanDerWaalsContact O-N 3.07Å; T233-L237 VanDerWaalsContact CA-O 3.32Å; T233-L237 WeakPolarHBondContact CA-O 3.4Å |
| 234 | R | 96.9 | Very high | 96.3 | Very high | 199 Ų | 199 | 97.1 Ų | 97.1 | 75% | 0.751 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.9 | 175 | -71.3 | 171.8 | 63.3 | -164.5 | -0.8 | 113.6 | K230 L231 L232 | K230-R234 WeakPolarHBondContact O-CG 3.43Å; K230-R234 PolarHBondContact O-N 3Å; L231-R234 PolarHBondContact O-N 3.42Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R234 PolarHBondContact O-N 3.19Å |
| 235 | M | 95.8 | Very high | 96.2 | Very high | 143 Ų | 143 | 98.8 Ų | 98.8 | 70% | 0.704 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 13.2 | 175.7 | -58.4 | -60.7 | -63.9 | 0 | 0 | 112.3 | L232 T233 | L232-M235 CarbonylContact O-C 3.59Å; L232-M235 WeakPolarHBondContact O-CA 3.49Å; L232-M235 WeakPolarHBondContact O-CB 3.37Å; L232-M235 PolarHBondContact O-N 3.2Å; T233-M235 PolarHBondContact O-N 3.03Å |
| 236 | C | 91.6 | Very high | 96 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 83% | 0.831 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 33 | -178.1 | -52 | 0 | 0 | 0 | 0 | 114.7 | T233 | T233-C236 PolarHBondContact O-N 3.38Å; T233-C236 VanDerWaalsContact O-N 3.07Å |
| 237 | L | 88.4 | Confident | 95.9 | Very high | 167 Ų | 167 | 103.1 Ų | 103.1 | 87% | 0.874 | 54% | 0.537 | S | S | * | . | trans | -112.1 | 0 | 176.1 | -61.9 | 175.4 | 0 | 0 | 0 | 113 | L232 T233 | L232-L237 HydrophobicContact CB-CB 4.25Å; L232-L237 HydrophobicContact CD2-CD1 3.98Å; L232-L237 PolarHBondContact O-N 2.87Å; T233-L237 VanDerWaalsContact CA-O 3.32Å; T233-L237 WeakPolarHBondContact CA-O 3.4Å |
Retrieved 237 of 237 residues in 52.1 ms
(Link to these results)