| 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 | 34.5 | Very low | 59.2 | Low | 249 Ų | 249 | 130.2 Ų | 130.2 | 100% | 1.227 | 66% | 0.657 | S | S | * | * | 0 | 110.6 | 0 | -95.9 | 169.8 | 178.3 | 0 | 0 | 108.1 | |||||
| 2 | S | 36.7 | Very low | 62.3 | Low | 90 Ų | 90 | 126.7 Ų | 126.7 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | trans | 35.5 | 101.6 | 173.2 | -151 | 0 | 0 | 0 | 0 | 121.3 | H4 | S2-H4 PolarHBondContact O-N 3.16Å; S2-H4 VanDerWaalsContact O-N 3.11Å; S2-H4 PolarHBondContact OG-CE1 3.11Å; S2-H4 PolarHBondContact OG-ND1 3.05Å | ||
| 3 | L | 38.3 | Very low | 65 | Low | 183 Ų | 183 | 119.1 Ų | 119.1 | 96% | 0.958 | 59% | 0.594 | S | S | * | * | trans | -64.5 | 90.2 | 152 | -79 | 143.8 | 0 | 0 | 0 | 108.8 | G5 | L3-G5 PolarHBondContact O-N 3.14Å; L3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | H | 41.8 | Very low | 67.3 | Low | 167 Ų | 167 | 119.9 Ų | 119.9 | 77% | 0.773 | 60% | 0.595 | S | S | * | * | trans | -77.6 | 93 | 163 | -77.2 | 76.4 | 0 | 0 | 0 | 107.6 | S2 K6 | S2-H4 PolarHBondContact O-N 3.16Å; S2-H4 VanDerWaalsContact O-N 3.11Å; S2-H4 PolarHBondContact OG-CE1 3.11Å; S2-H4 PolarHBondContact OG-ND1 3.05Å; H4-K6 PolarHBondContact O-N 3.49Å | ||
| 5 | G | 46 | Very low | 69.3 | Low | 66 Ų | 66 | 112.1 Ų | 112.1 | 68% | 0.68 | 56% | 0.557 | S | S | * | * | trans | -54.1 | 137.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L3 R7 | L3-G5 PolarHBondContact O-N 3.14Å; L3-G5 VanDerWaalsContact O-N 3.14Å; G5-R7 PolarHBondContact O-N 3.35Å | ||
| 6 | K | 51.5 | Low | 71.1 | Confident | 209 Ų | 209 | 111.3 Ų | 111.3 | 91% | 0.909 | 56% | 0.562 | S | S | * | * | trans | -53.3 | 113.2 | 174.4 | -75.9 | -176.8 | 175.3 | -174.5 | 0 | 108.2 | H4 K8 | H4-K6 PolarHBondContact O-N 3.49Å; K6-K8 PolarHBondContact O-N 2.99Å | ||
| 7 | R | 60.8 | Low | 72.6 | Confident | 133 Ų | 133 | 106.2 Ų | 106.2 | 50% | 0.502 | 54% | 0.535 | S | S | . | . | trans | -61.1 | 128.4 | 176.8 | -166.1 | 175 | -176.1 | 175.4 | 2.4 | 107.5 | G5 E9 | G5-R7 PolarHBondContact O-N 3.35Å; R7-E9 PolarHBondContact O-N 3.36Å | ||
| 8 | K | 65.9 | Low | 73.9 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | trans | -55.9 | 127.6 | 176.1 | -73.6 | -176.6 | -177.5 | 174 | 0 | 108.6 | K6 I10 Y11 S57 | K6-K8 PolarHBondContact O-N 2.99Å; K8-I10 VanDerWaalsContact C-N 3.35Å; K8-Y11 HydrophobicContact CB-CD1 4.36Å; K8-Y11 HydrophobicContact CB-CE1 3.9Å; K8-Y11 HydrophobicContact CB-CE2 4.36Å; K8-Y11 HydrophobicContact CD-CD1 4.25Å; K8-Y11 HydrophobicContact CD-CE1 4.09Å; K8-Y11 WeakPolarHBondContact O-CE2 3.45Å; K8-S57 PolarHBondContact NZ-O 2.93Å | ||
| 9 | E | 86.7 | Confident | 75.1 | Confident | 135 Ų | 135 | 98.5 Ų | 98.5 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -87.2 | -14 | 178.5 | -67.3 | 175.3 | 170.7 | 0 | 0 | 111.8 | R7 R341 | R7-E9 PolarHBondContact O-N 3.36Å; E9-R341 WeakPolarHBondContact O-CB 3.5Å; E9-R341 PolarHBondContact O-N 2.88Å |
| 10 | I | 93.6 | Very high | 76.1 | Confident | 75 Ų | 75 | 97.9 Ų | 97.9 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.2 | 178 | -57.2 | 175.7 | 0 | 0 | 0 | 108.2 | K8 Y310 I339 L340 | K8-I10 VanDerWaalsContact C-N 3.35Å; I10-Y310 HydrophobicContact CD1-CE2 3.92Å; I10-I339 WeakPolarHBondContact CA-O 3.33Å; I10-L340 HydrophobicContact CB-CD2 4.4Å; I10-L340 HydrophobicContact CD1-CD2 4.03Å; I10-L340 HydrophobicContact CG1-CD2 3.81Å; I10-L340 HydrophobicContact CG2-CD2 3.9Å |
| 11 | Y | 95.6 | Very high | 77 | Confident | 18 Ų | 18 | 93.3 Ų | 93.3 | 7% | 0.071 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.6 | 169.1 | -60.8 | -90.6 | 0 | 0 | 0 | 109.2 | K8 L52 W328 E338 I339 | K8-Y11 HydrophobicContact CB-CD1 4.36Å; K8-Y11 HydrophobicContact CB-CE1 3.9Å; K8-Y11 HydrophobicContact CB-CE2 4.36Å; K8-Y11 HydrophobicContact CD-CD1 4.25Å; K8-Y11 HydrophobicContact CD-CE1 4.09Å; K8-Y11 WeakPolarHBondContact O-CE2 3.45Å; Y11-L52 HydrophobicContact CD1-CD1 3.47Å; Y11-L52 VanDerWaalsContact CD1-CD1 3.47Å; Y11-L52 HydrophobicContact CD1-CD2 4.17Å; Y11-L52 HydrophobicContact CD1-CG 4.48Å; Y11-L52 HydrophobicContact CD2-CD2 4.27Å; Y11-L52 HydrophobicContact CE1-CD1 3.85Å; Y11-L52 HydrophobicContact CE1-CD2 3.96Å; Y11-L52 HydrophobicContact CE2-CD2 4.07Å; Y11-L52 HydrophobicContact CG-CD1 3.93Å; Y11-L52 HydrophobicContact CG-CD2 4.31Å; Y11-W328 AromaticContact CD2-CH2 3.62Å; Y11-W328 HydrophobicContact CD2-CH2 3.62Å; Y11-W328 AromaticContact CD2-CZ3 3.7Å; Y11-W328 HydrophobicContact CD2-CZ3 3.7Å; Y11-W328 AromaticContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CZ2 4.06Å; Y11-W328 AromaticContact CE2-CZ3 3.99Å; Y11-W328 HydrophobicContact CE2-CZ3 3.99Å; Y11-E338 WeakPolarHBondContact O-CA 3.41Å; Y11-I339 HydrophobicContact CD2-CD1 3.89Å; Y11-I339 HydrophobicContact CD2-CG1 4.07Å; Y11-I339 HydrophobicContact CG-CD1 4.36Å; Y11-I339 HydrophobicContact CG-CG1 4.36Å; Y11-I339 PolarHBondContact N-O 2.97Å; Y11-I339 PolarHBondContact O-N 3.16Å |
| 12 | K | 95.8 | Very high | 80 | Confident | 88 Ų | 88 | 81.6 Ų | 81.6 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.6 | -173.3 | -175.4 | 167.1 | -178.1 | 136.3 | 0 | 110.4 | E313 Y333 C336 L337 E338 | K12-E313 IonicContact NZ-OE2 3.54Å; K12-E313 PolarHBondContact NZ-OE2 3.46Å; K12-Y333 PolarHBondContact NZ-OH 3.1Å; K12-C336 WeakPolarHBondContact CE-SG 3.44Å; K12-C336 VanDerWaalsContact CG-SG 3.55Å; K12-L337 CarbonylContact C-O 3.52Å; K12-L337 WeakPolarHBondContact CA-O 3.36Å; K12-E338 HydrophobicContact CB-CG 4.41Å; K12-E338 HydrophobicContact CD-CG 4.4Å; K12-E338 WeakPolarHBondContact CD-OE1 3.42Å; K12-E338 HydrophobicContact CG-CG 4.14Å; K12-E338 IonicContact NZ-OE1 3.78Å; K12-E338 PolarHBondContact NZ-OE1 2.99Å |
| 13 | Y | 97.6 | Very high | 83 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 11% | 0.11 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.5 | 169.4 | 177.7 | -102.7 | 0 | 0 | 0 | 109 | A15 L36 Q48 V50 F59 L337 | Y13-A15 HydrophobicContact CE1-CB 4.01Å; Y13-L36 HydrophobicContact CD1-CD1 3.7Å; Y13-L36 HydrophobicContact CE1-CD1 3.91Å; Y13-Q48 PolarHBondContact OH-OE1 2.83Å; Y13-V50 HydrophobicContact CD1-CG1 3.87Å; Y13-V50 HydrophobicContact CD2-CG1 4.34Å; Y13-V50 HydrophobicContact CE1-CG1 3.53Å; Y13-V50 HydrophobicContact CE2-CG1 4.05Å; Y13-V50 HydrophobicContact CG-CG1 4.25Å; Y13-F59 HydrophobicContact CD2-CB 3.7Å; Y13-F59 HydrophobicContact CG-CB 4.02Å; Y13-L337 PolarHBondContact N-O 3.16Å; Y13-L337 PolarHBondContact O-N 3Å |
| 14 | E | 97.9 | Very high | 85.8 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 61% | 0.612 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.5 | 175 | -166.7 | 173.8 | 174.7 | 0 | 0 | 109.4 | N335 | E14-N335 WeakPolarHBondContact CG-ND2 3.07Å; E14-N335 PolarHBondContact OE1-ND2 3.13Å |
| 15 | A | 97.4 | Very high | 88.4 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | trans | -79.2 | 155.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y13 W17 V19 N335 | Y13-A15 HydrophobicContact CE1-CB 4.01Å; A15-W17 HydrophobicContact CB-CD2 4.14Å; A15-W17 HydrophobicContact CB-CE3 3.81Å; A15-W17 HydrophobicContact CB-CH2 4.46Å; A15-W17 HydrophobicContact CB-CZ3 4Å; A15-W17 PolarHBondContact O-N 3.26Å; A15-W17 VanDerWaalsContact O-N 3.14Å; A15-V19 HydrophobicContact CB-CG2 3.78Å; A15-N335 WeakPolarHBondContact CB-O 3.12Å; A15-N335 PolarHBondContact N-O 3.24Å; A15-N335 WeakPolarHBondContact O-CB 3.04Å; A15-N335 PolarHBondContact O-ND2 3.45Å | ||
| 16 | P | 96.9 | Very high | 90.7 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -74.3 | 2.2 | 177.4 | 29.6 | -32.4 | 0 | 0 | 0 | 113.6 | ||
| 17 | W | 96.8 | Very high | 92.6 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -150 | 167.8 | -175.6 | 37.5 | -114.3 | 0 | 0 | 0 | 110.3 | A15 V19 L36 G37 S38 V40 Q48 N335 | A15-W17 HydrophobicContact CB-CD2 4.14Å; A15-W17 HydrophobicContact CB-CE3 3.81Å; A15-W17 HydrophobicContact CB-CH2 4.46Å; A15-W17 HydrophobicContact CB-CZ3 4Å; A15-W17 PolarHBondContact O-N 3.26Å; A15-W17 VanDerWaalsContact O-N 3.14Å; W17-V19 HydrophobicContact CE3-CB 4.48Å; W17-V19 HydrophobicContact CE3-CG2 4.03Å; W17-V19 HydrophobicContact CZ3-CB 3.98Å; W17-V19 HydrophobicContact CZ3-CG1 4.1Å; W17-V19 HydrophobicContact CZ3-CG2 3.65Å; W17-V19 PolarHBondContact O-N 2.83Å; W17-L36 HydrophobicContact CH2-CB 3.64Å; W17-L36 HydrophobicContact CZ3-CB 4.26Å; W17-G37 VanDerWaalsContact CZ3-C 3.42Å; W17-G37 VanDerWaalsContact CZ3-O 3.27Å; W17-G37 WeakPolarHBondContact CZ3-O 3.48Å; W17-S38 VanDerWaalsContact CE2-CB 3.41Å; W17-S38 VanDerWaalsContact CG-CB 3.49Å; W17-S38 VanDerWaalsContact CZ3-CA 3.46Å; W17-V40 HydrophobicContact CB-CG2 4.24Å; W17-Q48 HydrophobicContact CZ2-CB 4.07Å; W17-Q48 HydrophobicContact CZ2-CG 3.87Å; W17-N335 VanDerWaalsContact O-CA 3.23Å; W17-N335 WeakPolarHBondContact O-CA 3.47Å; W17-N335 WeakPolarHBondContact O-CB 3.47Å |
| 18 | T | 96.9 | Very high | 93.9 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 128.6 | 172.4 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | S38 F39 N334 | T18-S38 CarbonylContact O-C 3.27Å; T18-F39 HydrophobicContact CG2-CB 4.22Å; T18-F39 PolarHBondContact O-N 2.73Å; T18-N334 CarbonylContact C-O 3.57Å; T18-N334 VanDerWaalsContact CA-O 3.3Å; T18-N334 WeakPolarHBondContact CA-O 3.15Å; T18-N334 WeakPolarHBondContact CG2-O 3.37Å |
| 19 | V | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 122.8 | -178.7 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | A15 W17 L36 C332 N334 | A15-V19 HydrophobicContact CB-CG2 3.78Å; W17-V19 HydrophobicContact CE3-CB 4.48Å; W17-V19 HydrophobicContact CE3-CG2 4.03Å; W17-V19 HydrophobicContact CZ3-CB 3.98Å; W17-V19 HydrophobicContact CZ3-CG1 4.1Å; W17-V19 HydrophobicContact CZ3-CG2 3.65Å; W17-V19 PolarHBondContact O-N 2.83Å; V19-L36 HydrophobicContact CG1-CB 4.34Å; V19-L36 HydrophobicContact CG1-CD2 4.2Å; V19-C332 HydrophobicContact CB-CB 4.17Å; V19-C332 HydrophobicContact CG1-CB 3.93Å; V19-C332 VanDerWaalsContact CG1-SG 3.51Å; V19-N334 PolarHBondContact N-O 2.98Å |
| 20 | Y | 94.3 | Very high | 95.2 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 34% | 0.337 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -46.9 | -176.1 | -169.1 | -128.5 | 0 | 0 | 0 | 113.3 | G37 F39 P70 T71 | Y20-G37 PolarHBondContact N-O 3.21Å; Y20-F39 HydrophobicContact CD1-CD2 4.44Å; Y20-F39 AromaticContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CE2-CD2 4.26Å; Y20-F39 HydrophobicContact CG-CB 4.43Å; Y20-F39 AromaticContact CG-CD2 4Å; Y20-F39 HydrophobicContact CG-CD2 4Å; Y20-P70 HydrophobicContact CD1-CB 3.87Å; Y20-P70 HydrophobicContact CE1-CB 4.24Å; Y20-T71 WeakPolarHBondContact CD1-O 3.36Å; Y20-T71 WeakPolarHBondContact CE1-O 3.34Å |
| 21 | A | 96 | Very high | 95.2 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 149.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L36 G37 T71 I74 | A21-L36 CarbonylContact O-C 3.59Å; A21-L36 WeakPolarHBondContact O-CA 3.38Å; A21-G37 PolarHBondContact N-O 3.37Å; A21-G37 PolarHBondContact O-N 3.36Å; A21-T71 WeakPolarHBondContact CB-O 3.41Å; A21-T71 WeakPolarHBondContact CB-OG1 3.25Å; A21-I74 HydrophobicContact CB-CB 4.49Å; A21-I74 HydrophobicContact CB-CD1 4.17Å; A21-I74 HydrophobicContact CB-CG1 3.95Å |
| 22 | M | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 155.9 | 174.3 | 58.6 | 153.2 | 167.1 | 0 | 0 | 112 | A35 L36 N318 Q320 A330 C332 L337 | M22-A35 CarbonylContact C-O 3.51Å; M22-A35 WeakPolarHBondContact CA-O 3.41Å; M22-L36 HydrophobicContact CB-CD2 3.58Å; M22-N318 HydrophobicContact CE-CB 3.83Å; M22-N318 WeakPolarHBondContact CE-O 3.35Å; M22-N318 HydrophobicContact CG-CB 4.3Å; M22-Q320 HydrophobicContact CE-CB 4.37Å; M22-Q320 HydrophobicContact CE-CG 4.23Å; M22-Q320 HydrophobicContact CG-CG 4.28Å; M22-Q320 HydrophobicContact SD-CB 4.5Å; M22-Q320 HydrophobicContact SD-CG 4.42Å; M22-A330 HydrophobicContact CE-CB 4.09Å; M22-A330 WeakPolarHBondContact CE-O 3.47Å; M22-A330 HydrophobicContact SD-CB 3.57Å; M22-A330 VanDerWaalsContact SD-CB 3.57Å; M22-C332 HydrophobicContact CE-CB 4.2Å; M22-C332 PolarHBondContact SD-SG 2.8Å; M22-L337 HydrophobicContact SD-CD1 3.91Å |
| 23 | N | 98 | Very high | 95.2 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.102 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 143.9 | 169.8 | -168.8 | -111.1 | 0 | 0 | 0 | 112.5 | L34 A35 I74 M75 W76 | N23-L34 WeakPolarHBondContact O-CA 3.08Å; N23-A35 PolarHBondContact N-O 3.28Å; N23-A35 PolarHBondContact O-N 2.91Å; N23-I74 HydrophobicContact CB-CG2 4.49Å; N23-I74 WeakPolarHBondContact CB-O 3.4Å; N23-M75 WeakPolarHBondContact OD1-CA 3.49Å; N23-W76 PolarHBondContact O-NE1 2.67Å; N23-W76 PolarHBondContact OD1-N 2.84Å |
| 24 | W | 97.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.4 | 175.2 | -70.6 | 96.2 | 0 | 0 | 0 | 111.5 | V26 F32 L34 W76 Q320 A322 W328 A330 I339 | W24-V26 PolarHBondContact O-N 2.93Å; W24-F32 HydrophobicContact CH2-CD1 4.42Å; W24-F32 HydrophobicContact CZ3-CD1 4.16Å; W24-L34 HydrophobicContact CD2-CD1 4.26Å; W24-L34 HydrophobicContact CD2-CD2 3.79Å; W24-L34 HydrophobicContact CD2-CG 3.88Å; W24-L34 HydrophobicContact CE3-CD1 3.72Å; W24-L34 HydrophobicContact CE3-CD2 4.13Å; W24-L34 HydrophobicContact CE3-CG 3.76Å; W24-L34 HydrophobicContact CG-CD2 4.22Å; W24-L34 HydrophobicContact CG-CG 4.41Å; W24-L34 HydrophobicContact CH2-CD1 4.04Å; W24-L34 HydrophobicContact CZ2-CD2 4.18Å; W24-L34 HydrophobicContact CZ3-CD1 3.61Å; W24-L34 HydrophobicContact CZ3-CD2 4.49Å; W24-L34 HydrophobicContact CZ3-CG 4.17Å; W24-W76 VanDerWaalsContact C-CD1 3.41Å; W24-W76 VanDerWaalsContact O-CD1 3.25Å; W24-Q320 PolarHBondContact NE1-O 3.2Å; W24-A322 HydrophobicContact CD2-CB 3.63Å; W24-A322 HydrophobicContact CE3-CB 3.93Å; W24-A322 HydrophobicContact CG-CB 3.99Å; W24-A322 HydrophobicContact CH2-CB 4.24Å; W24-A322 HydrophobicContact CZ2-CB 3.99Å; W24-A322 HydrophobicContact CZ3-CB 4.21Å; W24-W328 HydrophobicContact CH2-CB 4.24Å; W24-W328 HydrophobicContact CZ2-CB 4.37Å; W24-A330 HydrophobicContact CZ2-CB 3.62Å; W24-A330 VanDerWaalsContact NE1-CB 3.33Å; W24-I339 HydrophobicContact CH2-CB 3.96Å; W24-I339 HydrophobicContact CH2-CD1 3.97Å; W24-I339 HydrophobicContact CH2-CG2 3.5Å; W24-I339 HydrophobicContact CZ2-CB 4.1Å; W24-I339 HydrophobicContact CZ2-CG2 3.55Å |
| 25 | S | 96.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | trans | -69 | 133.8 | 165.4 | -163.1 | 0 | 0 | 0 | 0 | 110.3 | R33 | S25-R33 WeakPolarHBondContact CB-O 3.26Å; S25-R33 PolarHBondContact N-O 2.94Å; S25-R33 PolarHBondContact OG-NE 3.43Å; S25-R33 PolarHBondContact OG-NH2 2.65Å | ||
| 26 | V | 94.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 11% | 0.109 | 17% | 0.174 | C | C | . | . | trans | -96.2 | 3.2 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 113.1 | W24 I77 S323 T324 | W24-V26 PolarHBondContact O-N 2.93Å; V26-I77 WeakPolarHBondContact CG2-O 3.4Å; V26-S323 WeakPolarHBondContact CG1-OG 3.47Å; V26-T324 HydrophobicContact CB-CG2 4.35Å; V26-T324 VanDerWaalsContact O-CG2 3.26Å; V26-T324 WeakPolarHBondContact O-CG2 3.31Å | ||
| 27 | R | 91.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 30.2 Ų | 30.2 | 20% | 0.196 | 14% | 0.144 | C | C | . | . | trans | -69.8 | 127.3 | 178.2 | -82.4 | -158.9 | 73.8 | 159.3 | 16.3 | 110.9 | D29 K30 D86 | R27-D29 VanDerWaalsContact C-N 3.27Å; R27-D29 IonicContact CZ-OD1 3.24Å; R27-D29 IonicContact CZ-OD2 2.75Å; R27-D29 IonicContact NE-OD1 2.93Å; R27-D29 PolarHBondContact NE-OD1 2.86Å; R27-D29 IonicContact NE-OD2 3.9Å; R27-D29 IonicContact NH2-OD1 2.88Å; R27-D29 PolarHBondContact NH2-OD1 3.43Å; R27-D29 IonicContact NH2-OD2 3.63Å; R27-D29 PolarHBondContact O-N 3.12Å; R27-K30 HydrophobicContact CB-CB 4.17Å; R27-K30 HydrophobicContact CB-CG 4.33Å; R27-K30 PolarHBondContact O-N 2.89Å; R27-D86 VanDerWaalsContact CD-OD1 3.31Å; R27-D86 WeakPolarHBondContact CD-OD1 3.4Å; R27-D86 IonicContact NH1-OD2 2.97Å | ||
| 28 | P | 87.1 | Confident | 95.4 | Very high | 72 Ų | 72 | 29 Ų | 29 | 47% | 0.468 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -32.2 | 179.9 | -24.7 | 34.2 | 0 | 0 | 0 | 114.2 | K30 T80 | P28-K30 VanDerWaalsContact C-N 3.32Å; P28-T80 WeakPolarHBondContact CG-O 3.45Å |
| 29 | D | 90 | Very high | 95.3 | Very high | 88 Ų | 88 | 30.2 Ų | 30.2 | 47% | 0.471 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -7.3 | -178.1 | 61.1 | -59.3 | 0 | 0 | 0 | 113.7 | R27 | R27-D29 VanDerWaalsContact C-N 3.27Å; R27-D29 IonicContact CZ-OD1 3.24Å; R27-D29 IonicContact CZ-OD2 2.75Å; R27-D29 IonicContact NE-OD1 2.93Å; R27-D29 PolarHBondContact NE-OD1 2.86Å; R27-D29 IonicContact NE-OD2 3.9Å; R27-D29 IonicContact NH2-OD1 2.88Å; R27-D29 PolarHBondContact NH2-OD1 3.43Å; R27-D29 IonicContact NH2-OD2 3.63Å; R27-D29 PolarHBondContact O-N 3.12Å |
| 30 | K | 91.2 | Very high | 95.2 | Very high | 50 Ų | 50 | 32.1 Ų | 32.1 | 22% | 0.217 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -125.8 | 63.9 | -175.7 | -57.9 | -71.9 | -179.5 | 177 | 0 | 110.7 | R27 P28 R33 D102 | R27-K30 HydrophobicContact CB-CB 4.17Å; R27-K30 HydrophobicContact CB-CG 4.33Å; R27-K30 PolarHBondContact O-N 2.89Å; P28-K30 VanDerWaalsContact C-N 3.32Å; K30-R33 HydrophobicContact CB-CB 4.34Å; K30-R33 VanDerWaalsContact CB-CZ 3.47Å; K30-R33 VanDerWaalsContact CG-CZ 3.5Å; K30-R33 WeakPolarHBondContact O-CB 3.44Å; K30-D102 IonicContact NZ-OD1 3.68Å; K30-D102 PolarHBondContact NZ-OD1 3.1Å; K30-D102 IonicContact NZ-OD2 2.66Å; K30-D102 PolarHBondContact NZ-OD2 2.88Å |
| 31 | R | 92.5 | Very high | 95 | Very high | 123 Ų | 123 | 36.9 Ų | 36.9 | 46% | 0.464 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | 148.8 | 178.4 | -64.5 | -175.1 | 64.4 | -153.2 | 0.6 | 111.6 | R33 E54 Q325 | R31-R33 PolarHBondContact O-N 2.97Å; R31-R33 VanDerWaalsContact O-N 3.12Å; R31-E54 IonicContact NH1-OE1 3.78Å; R31-Q325 VanDerWaalsContact NE-OE1 3.1Å |
| 32 | F | 94.7 | Very high | 94.7 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 34.8 | 179 | -60.9 | -74.8 | 0 | 0 | 0 | 114.6 | W24 G51 L52 F59 Q325 W328 I339 | W24-F32 HydrophobicContact CH2-CD1 4.42Å; W24-F32 HydrophobicContact CZ3-CD1 4.16Å; F32-G51 WeakPolarHBondContact O-CA 3.41Å; F32-L52 HydrophobicContact CB-CB 3.46Å; F32-L52 VanDerWaalsContact CB-CB 3.46Å; F32-L52 HydrophobicContact CB-CD2 4.26Å; F32-L52 HydrophobicContact CD1-CD2 4.24Å; F32-L52 HydrophobicContact CD2-CD2 3.99Å; F32-L52 HydrophobicContact CE2-CD2 4.36Å; F32-L52 HydrophobicContact CG-CB 4.07Å; F32-L52 HydrophobicContact CG-CD2 3.92Å; F32-L52 PolarHBondContact O-N 2.7Å; F32-L52 VanDerWaalsContact O-N 3.1Å; F32-F59 WeakPolarHBondContact O-CE1 3.49Å; F32-Q325 VanDerWaalsContact N-NE2 3.17Å; F32-W328 AromaticContact CE1-CD1 3.98Å; F32-W328 AromaticContact CE1-CD2 3.9Å; F32-W328 HydrophobicContact CE1-CD2 3.9Å; F32-W328 AromaticContact CE1-CE2 3.77Å; F32-W328 HydrophobicContact CE1-CG 4.03Å; F32-W328 HydrophobicContact CE1-CZ2 4.34Å; F32-W328 AromaticContact CE1-NE1 3.8Å; F32-W328 HydrophobicContact CZ-CZ2 4.41Å; F32-W328 AromaticContact CZ-NE1 3.82Å; F32-I339 HydrophobicContact CD1-CD1 3.72Å; F32-I339 HydrophobicContact CE1-CD1 4.03Å |
| 33 | R | 96.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.7 | 175 | -176.8 | 173.7 | 67.5 | 167.3 | 4.2 | 109.9 | S25 K30 R31 I49 V50 W76 D86 | S25-R33 WeakPolarHBondContact CB-O 3.26Å; S25-R33 PolarHBondContact N-O 2.94Å; S25-R33 PolarHBondContact OG-NE 3.43Å; S25-R33 PolarHBondContact OG-NH2 2.65Å; K30-R33 HydrophobicContact CB-CB 4.34Å; K30-R33 VanDerWaalsContact CB-CZ 3.47Å; K30-R33 VanDerWaalsContact CG-CZ 3.5Å; K30-R33 WeakPolarHBondContact O-CB 3.44Å; R31-R33 PolarHBondContact O-N 2.97Å; R31-R33 VanDerWaalsContact O-N 3.12Å; R33-I49 HydrophobicContact CG-CG2 3.85Å; R33-V50 WeakPolarHBondContact CA-O 3.32Å; R33-W76 HydrophobicContact CG-CZ2 4.25Å; R33-D86 IonicContact CZ-OD1 3.46Å; R33-D86 IonicContact CZ-OD2 3.49Å; R33-D86 IonicContact NH1-OD2 3.38Å; R33-D86 PolarHBondContact NH1-OD2 3.17Å; R33-D86 VanDerWaalsContact NH2-CG 3.26Å; R33-D86 IonicContact NH2-OD1 3.52Å; R33-D86 PolarHBondContact NH2-OD1 3.07Å; R33-D86 IonicContact NH2-OD2 3.87Å; R33-D86 PolarHBondContact NH2-OD2 2.85Å |
| 34 | L | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 152.5 | 174.8 | -63.9 | 94.1 | 0 | 0 | 0 | 110.2 | N23 W24 I49 V50 F59 A330 L337 I339 | N23-L34 WeakPolarHBondContact O-CA 3.08Å; W24-L34 HydrophobicContact CD2-CD1 4.26Å; W24-L34 HydrophobicContact CD2-CD2 3.79Å; W24-L34 HydrophobicContact CD2-CG 3.88Å; W24-L34 HydrophobicContact CE3-CD1 3.72Å; W24-L34 HydrophobicContact CE3-CD2 4.13Å; W24-L34 HydrophobicContact CE3-CG 3.76Å; W24-L34 HydrophobicContact CG-CD2 4.22Å; W24-L34 HydrophobicContact CG-CG 4.41Å; W24-L34 HydrophobicContact CH2-CD1 4.04Å; W24-L34 HydrophobicContact CZ2-CD2 4.18Å; W24-L34 HydrophobicContact CZ3-CD1 3.61Å; W24-L34 HydrophobicContact CZ3-CD2 4.49Å; W24-L34 HydrophobicContact CZ3-CG 4.17Å; L34-I49 WeakPolarHBondContact O-CA 3.38Å; L34-V50 HydrophobicContact CB-CG2 3.97Å; L34-V50 PolarHBondContact N-O 2.99Å; L34-V50 PolarHBondContact O-N 2.89Å; L34-F59 HydrophobicContact CD1-CE1 3.79Å; L34-F59 HydrophobicContact CD1-CZ 3.94Å; L34-A330 HydrophobicContact CD2-CB 3.83Å; L34-L337 HydrophobicContact CB-CD2 4.5Å; L34-L337 HydrophobicContact CD1-CD2 4.19Å; L34-L337 HydrophobicContact CD2-CD1 3.95Å; L34-L337 HydrophobicContact CD2-CD2 4.18Å; L34-I339 HydrophobicContact CD1-CG2 4.47Å |
| 35 | A | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | M22 N23 Q48 I74 W76 L88 | M22-A35 CarbonylContact C-O 3.51Å; M22-A35 WeakPolarHBondContact CA-O 3.41Å; N23-A35 PolarHBondContact N-O 3.28Å; N23-A35 PolarHBondContact O-N 2.91Å; A35-Q48 CarbonylContact C-O 3.53Å; A35-Q48 WeakPolarHBondContact CA-O 3.4Å; A35-I74 HydrophobicContact CB-CG2 3.77Å; A35-W76 HydrophobicContact CB-CZ2 4.05Å; A35-L88 HydrophobicContact CB-CD1 3.77Å; A35-L88 HydrophobicContact CB-CD2 3.94Å |
| 36 | L | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.3 | -179.4 | -55.3 | 180 | 0 | 0 | 0 | 108.9 | Y13 W17 V19 A21 M22 V47 Q48 V50 L337 | Y13-L36 HydrophobicContact CD1-CD1 3.7Å; Y13-L36 HydrophobicContact CE1-CD1 3.91Å; W17-L36 HydrophobicContact CH2-CB 3.64Å; W17-L36 HydrophobicContact CZ3-CB 4.26Å; V19-L36 HydrophobicContact CG1-CB 4.34Å; V19-L36 HydrophobicContact CG1-CD2 4.2Å; A21-L36 CarbonylContact O-C 3.59Å; A21-L36 WeakPolarHBondContact O-CA 3.38Å; M22-L36 HydrophobicContact CB-CD2 3.58Å; L36-V47 CarbonylContact O-C 3.52Å; L36-V47 VanDerWaalsContact O-CA 3.26Å; L36-V47 WeakPolarHBondContact O-CA 3.26Å; L36-Q48 PolarHBondContact N-O 2.81Å; L36-Q48 PolarHBondContact O-N 3.24Å; L36-V50 HydrophobicContact CD1-CG1 4.04Å; L36-V50 HydrophobicContact CD1-CG2 4.03Å; L36-V50 HydrophobicContact CG-CG2 4.23Å; L36-L337 HydrophobicContact CD1-CB 4.16Å; L36-L337 HydrophobicContact CD1-CD2 4.16Å; L36-L337 HydrophobicContact CD2-CB 4.38Å; L36-L337 HydrophobicContact CD2-CD1 4.24Å; L36-L337 HydrophobicContact CD2-CD2 4.12Å; L36-L337 HydrophobicContact CD2-CG 4.46Å |
| 37 | G | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W17 Y20 A21 | W17-G37 VanDerWaalsContact CZ3-C 3.42Å; W17-G37 VanDerWaalsContact CZ3-O 3.27Å; W17-G37 WeakPolarHBondContact CZ3-O 3.48Å; Y20-G37 PolarHBondContact N-O 3.21Å; A21-G37 PolarHBondContact N-O 3.37Å; A21-G37 PolarHBondContact O-N 3.36Å |
| 38 | S | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 155.2 | 179.5 | 70 | 0 | 0 | 0 | 0 | 113.3 | W17 T18 N45 K46 P70 | W17-S38 VanDerWaalsContact CE2-CB 3.41Å; W17-S38 VanDerWaalsContact CG-CB 3.49Å; W17-S38 VanDerWaalsContact CZ3-CA 3.46Å; T18-S38 CarbonylContact O-C 3.27Å; S38-N45 PolarHBondContact O-OD1 3.49Å; S38-N45 VanDerWaalsContact O-OD1 3.05Å; S38-N45 VanDerWaalsContact OG-CA 3.27Å; S38-N45 WeakPolarHBondContact OG-CA 3.21Å; S38-N45 VanDerWaalsContact OG-CB 3.25Å; S38-N45 WeakPolarHBondContact OG-CB 3.36Å; S38-N45 PolarHBondContact OG-OD1 3.04Å; S38-K46 PolarHBondContact N-O 3.31Å; S38-K46 PolarHBondContact OG-N 3.28Å; S38-K46 PolarHBondContact OG-O 3.45Å; S38-P70 WeakPolarHBondContact O-CA 3.34Å |
| 39 | F | 95.9 | Very high | 95.1 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 39% | 0.39 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 101.6 | 154.5 | -164.3 | -92.4 | 0 | 0 | 0 | 109 | T18 Y20 E41 P70 | T18-F39 HydrophobicContact CG2-CB 4.22Å; T18-F39 PolarHBondContact O-N 2.73Å; Y20-F39 HydrophobicContact CD1-CD2 4.44Å; Y20-F39 AromaticContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CD2-CD2 3.86Å; Y20-F39 HydrophobicContact CE2-CD2 4.26Å; Y20-F39 HydrophobicContact CG-CB 4.43Å; Y20-F39 AromaticContact CG-CD2 4Å; Y20-F39 HydrophobicContact CG-CD2 4Å; F39-E41 HydrophobicContact CE1-CG 4.22Å; F39-P70 HydrophobicContact CD2-CB 3.9Å; F39-P70 HydrophobicContact CD2-CG 3.9Å; F39-P70 HydrophobicContact CE2-CB 4.42Å; F39-P70 HydrophobicContact CE2-CG 4.15Å; F39-P70 HydrophobicContact CG-CG 4.49Å |
| 40 | V | 94.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | trans | -123.6 | 131.2 | 167.3 | -173.6 | 0 | 0 | 0 | 0 | 106.7 | W17 E42 N44 N45 | W17-V40 HydrophobicContact CB-CG2 4.24Å; V40-E42 HydrophobicContact CG1-CB 4.31Å; V40-E42 PolarHBondContact O-N 3.4Å; V40-N44 VanDerWaalsContact CG1-OD1 3.23Å; V40-N44 WeakPolarHBondContact CG1-OD1 3.35Å; V40-N45 PolarHBondContact N-OD1 3.31Å; V40-N45 PolarHBondContact O-ND2 3.3Å; V40-N45 PolarHBondContact O-OD1 3.28Å | ||
| 41 | E | 89.6 | Confident | 95.7 | Very high | 185 Ų | 185 | 42.6 Ų | 42.6 | 86% | 0.864 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -64.7 | -26.1 | -176.1 | -64.2 | -177.3 | 172.2 | 0 | 0 | 112.6 | F39 | F39-E41 HydrophobicContact CE1-CG 4.22Š|
| 42 | E | 89.1 | Confident | 95.9 | Very high | 129 Ų | 129 | 37.6 Ų | 37.6 | 60% | 0.603 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -82.6 | 165.7 | 179.5 | -63.7 | 177.4 | 175.5 | 0 | 0 | 113.4 | V40 N44 N45 | V40-E42 HydrophobicContact CG1-CB 4.31Å; V40-E42 PolarHBondContact O-N 3.4Å; E42-N44 WeakPolarHBondContact CB-OD1 3.5Å; E42-N44 PolarHBondContact O-N 3.1Å; E42-N44 PolarHBondContact O-OD1 2.71Å; E42-N44 PolarHBondContact OE2-ND2 3.41Å; E42-N45 PolarHBondContact O-ND2 3.49Å |
| 43 | Y | 89.6 | Confident | 95.8 | Very high | 144 Ų | 144 | 40.4 Ų | 40.4 | 57% | 0.565 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -76.8 | 58.2 | 176.4 | -165.4 | -93.3 | 0 | 0 | 0 | 112.1 | P68 Y69 | Y43-P68 CarbonylContact C-O 3.48Å; Y43-P68 WeakPolarHBondContact CA-O 3.35Å; Y43-P68 HydrophobicContact CD2-CB 4.28Å; Y43-P68 VanDerWaalsContact CD2-O 3.32Å; Y43-P68 WeakPolarHBondContact CD2-O 3.43Å; Y43-P68 HydrophobicContact CE1-CB 4.19Å; Y43-P68 HydrophobicContact CE2-CB 3.53Å; Y43-P68 VanDerWaalsContact CZ-CB 3.46Å; Y43-P68 WeakPolarHBondContact OH-CB 3.28Å; Y43-Y69 HydrophobicContact CD2-CD1 4.19Å; Y43-Y69 HydrophobicContact CD2-CD2 4.47Å; Y43-Y69 AromaticContact CD2-CE1 3.64Å; Y43-Y69 HydrophobicContact CD2-CE1 3.64Å; Y43-Y69 AromaticContact CD2-CE2 3.97Å; Y43-Y69 HydrophobicContact CD2-CE2 3.97Å; Y43-Y69 AromaticContact CD2-CZ 3.51Å; Y43-Y69 HydrophobicContact CE2-CD2 4.1Å; Y43-Y69 HydrophobicContact CE2-CE1 4.03Å; Y43-Y69 AromaticContact CE2-CE2 3.46Å; Y43-Y69 HydrophobicContact CE2-CE2 3.46Å; Y43-Y69 VanDerWaalsContact CE2-CE2 3.46Å; Y43-Y69 AromaticContact CE2-CZ 3.41Å; Y43-Y69 VanDerWaalsContact CE2-CZ 3.41Å |
| 44 | N | 94.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -155.5 | 32.8 | -176.5 | 60.3 | 7.7 | 0 | 0 | 0 | 112.3 | V40 E42 K46 | V40-N44 VanDerWaalsContact CG1-OD1 3.23Å; V40-N44 WeakPolarHBondContact CG1-OD1 3.35Å; E42-N44 WeakPolarHBondContact CB-OD1 3.5Å; E42-N44 PolarHBondContact O-N 3.1Å; E42-N44 PolarHBondContact O-OD1 2.71Å; E42-N44 PolarHBondContact OE2-ND2 3.41Å; N44-K46 WeakPolarHBondContact O-CE 3.36Å | ||
| 45 | N | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 163.5 | 177.7 | -78.5 | -91.2 | 0 | 0 | 0 | 111.5 | S38 V40 E42 H67 Y69 P70 | S38-N45 PolarHBondContact O-OD1 3.49Å; S38-N45 VanDerWaalsContact O-OD1 3.05Å; S38-N45 VanDerWaalsContact OG-CA 3.27Å; S38-N45 WeakPolarHBondContact OG-CA 3.21Å; S38-N45 VanDerWaalsContact OG-CB 3.25Å; S38-N45 WeakPolarHBondContact OG-CB 3.36Å; S38-N45 PolarHBondContact OG-OD1 3.04Å; V40-N45 PolarHBondContact N-OD1 3.31Å; V40-N45 PolarHBondContact O-ND2 3.3Å; V40-N45 PolarHBondContact O-OD1 3.28Å; E42-N45 PolarHBondContact O-ND2 3.49Å; N45-H67 CarbonylContact C-O 3.53Å; N45-H67 VanDerWaalsContact C-O 3.27Å; N45-H67 VanDerWaalsContact CA-O 3.28Å; N45-H67 WeakPolarHBondContact CA-O 3.39Å; N45-H67 HydrophobicContact CB-CB 4.44Å; N45-H67 VanDerWaalsContact CB-O 3.23Å; N45-H67 WeakPolarHBondContact CB-O 3.36Å; N45-H67 PolarHBondContact N-O 3Å; N45-H67 PolarHBondContact O-N 2.79Å; N45-Y69 VanDerWaalsContact CB-O 3.32Å; N45-Y69 WeakPolarHBondContact CB-O 3.27Å; N45-Y69 VanDerWaalsContact CG-C 3.42Å; N45-P70 VanDerWaalsContact CG-N 3.31Å; N45-P70 VanDerWaalsContact ND2-CD 3.28Å; N45-P70 WeakPolarHBondContact ND2-CD 3.33Å |
| 46 | K | 97.5 | Very high | 94.2 | Very high | 65 Ų | 65 | 57.4 Ų | 57.4 | 28% | 0.283 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152 | -175.7 | -53.6 | -68.3 | 171.7 | 174.6 | 0 | 109.9 | S38 N44 T64 F65 D66 | S38-K46 PolarHBondContact N-O 3.31Å; S38-K46 PolarHBondContact OG-N 3.28Å; S38-K46 PolarHBondContact OG-O 3.45Å; N44-K46 WeakPolarHBondContact O-CE 3.36Å; K46-T64 HydrophobicContact CB-CG2 4.26Å; K46-T64 HydrophobicContact CD-CG2 4.36Å; K46-F65 WeakPolarHBondContact CA-O 3.41Å; K46-D66 WeakPolarHBondContact CD-OD1 3.41Å; K46-D66 WeakPolarHBondContact CE-OD1 3.34Å; K46-D66 IonicContact NZ-OD1 3.96Å; K46-D66 PolarHBondContact NZ-OD1 3.04Å |
| 47 | V | 98.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.5 | 163.1 | 176.8 | 0 | 0 | 0 | 0 | 108.2 | L36 T64 F65 H67 T71 I74 L88 T90 | L36-V47 CarbonylContact O-C 3.52Å; L36-V47 VanDerWaalsContact O-CA 3.26Å; L36-V47 WeakPolarHBondContact O-CA 3.26Å; V47-T64 WeakPolarHBondContact O-CA 3.37Å; V47-F65 HydrophobicContact CB-CD1 4.3Å; V47-F65 HydrophobicContact CB-CD2 4.2Å; V47-F65 HydrophobicContact CB-CE1 3.71Å; V47-F65 HydrophobicContact CB-CE2 3.6Å; V47-F65 HydrophobicContact CB-CZ 3.34Å; V47-F65 HydrophobicContact CG1-CE1 3.57Å; V47-F65 HydrophobicContact CG1-CE2 4.09Å; V47-F65 HydrophobicContact CG1-CZ 3.32Å; V47-F65 HydrophobicContact CG2-CE2 4.01Å; V47-F65 HydrophobicContact CG2-CZ 4.07Å; V47-F65 PolarHBondContact N-O 2.83Å; V47-F65 PolarHBondContact O-N 2.66Å; V47-H67 HydrophobicContact CG2-CB 4.15Å; V47-T71 HydrophobicContact CG2-CG2 3.67Å; V47-I74 HydrophobicContact CG1-CD1 4.07Å; V47-I74 HydrophobicContact CG2-CD1 4.13Å; V47-L88 HydrophobicContact CG1-CD2 4.15Å; V47-T90 HydrophobicContact CG2-CG2 4.32Å |
| 48 | Q | 97.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 64.9 Ų | 64.9 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 135.6 | 178.4 | -76.8 | -169.2 | -37.3 | 0 | 0 | 110.9 | Y13 W17 A35 L36 N63 T64 | Y13-Q48 PolarHBondContact OH-OE1 2.83Å; W17-Q48 HydrophobicContact CZ2-CB 4.07Å; W17-Q48 HydrophobicContact CZ2-CG 3.87Å; A35-Q48 CarbonylContact C-O 3.53Å; A35-Q48 WeakPolarHBondContact CA-O 3.4Å; L36-Q48 PolarHBondContact N-O 2.81Å; L36-Q48 PolarHBondContact O-N 3.24Å; Q48-N63 CarbonylContact C-O 3.31Å; Q48-N63 WeakPolarHBondContact CA-O 3.49Å; Q48-T64 HydrophobicContact CG-CG2 3.86Å; Q48-T64 WeakPolarHBondContact CG-OG1 3.24Å; Q48-T64 PolarHBondContact NE2-OG1 2.87Å; Q48-T64 VanDerWaalsContact NE2-OG1 3.16Å |
| 49 | I | 98.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.7 | 170.6 | -58.2 | 174.3 | 0 | 0 | 0 | 106.8 | R33 L34 R62 N63 F65 W76 V100 | R33-I49 HydrophobicContact CG-CG2 3.85Å; L34-I49 WeakPolarHBondContact O-CA 3.38Å; I49-R62 WeakPolarHBondContact O-CA 3.5Å; I49-R62 WeakPolarHBondContact O-CB 3.16Å; I49-R62 PolarHBondContact O-N 3.34Å; I49-N63 HydrophobicContact CB-CB 4.17Å; I49-N63 HydrophobicContact CD1-CB 4.25Å; I49-N63 HydrophobicContact CG1-CB 4.47Å; I49-N63 PolarHBondContact N-O 2.69Å; I49-N63 PolarHBondContact O-N 2.77Å; I49-F65 HydrophobicContact CD1-CE1 4.42Å; I49-W76 HydrophobicContact CD1-CH2 3.96Å; I49-W76 HydrophobicContact CD1-CZ2 4.37Å; I49-W76 HydrophobicContact CG1-CH2 4.44Å; I49-W76 HydrophobicContact CG1-CZ2 4.36Å; I49-W76 HydrophobicContact CG2-CH2 4.25Å; I49-W76 HydrophobicContact CG2-CZ2 4.12Å; I49-V100 HydrophobicContact CD1-CB 4.27Å; I49-V100 HydrophobicContact CD1-CG1 3.54Å; I49-V100 HydrophobicContact CD1-CG2 3.67Å |
| 50 | V | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.3 | -179.7 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | Y13 R33 L34 L36 F59 V60 L337 | Y13-V50 HydrophobicContact CD1-CG1 3.87Å; Y13-V50 HydrophobicContact CD2-CG1 4.34Å; Y13-V50 HydrophobicContact CE1-CG1 3.53Å; Y13-V50 HydrophobicContact CE2-CG1 4.05Å; Y13-V50 HydrophobicContact CG-CG1 4.25Å; R33-V50 WeakPolarHBondContact CA-O 3.32Å; L34-V50 HydrophobicContact CB-CG2 3.97Å; L34-V50 PolarHBondContact N-O 2.99Å; L34-V50 PolarHBondContact O-N 2.89Å; L36-V50 HydrophobicContact CD1-CG1 4.04Å; L36-V50 HydrophobicContact CD1-CG2 4.03Å; L36-V50 HydrophobicContact CG-CG2 4.23Å; V50-F59 HydrophobicContact CB-CD1 4.2Å; V50-F59 HydrophobicContact CG2-CD1 4.05Å; V50-F59 HydrophobicContact CG2-CE1 4.31Å; V50-V60 WeakPolarHBondContact CA-O 3.11Å; V50-L337 HydrophobicContact CG2-CD2 3.95Å |
| 51 | G | 96.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 140.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F32 E53 F59 V60 | F32-G51 WeakPolarHBondContact O-CA 3.41Å; G51-E53 PolarHBondContact O-N 3.39Å; G51-F59 VanDerWaalsContact C-CD1 3.45Å; G51-V60 PolarHBondContact N-O 2.77Å; G51-V60 PolarHBondContact O-N 3.42Å |
| 52 | L | 95 | Very high | 93.7 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 124.9 | 172.3 | -173.2 | 70.3 | 0 | 0 | 0 | 109.4 | Y11 F32 F59 | Y11-L52 HydrophobicContact CD1-CD1 3.47Å; Y11-L52 VanDerWaalsContact CD1-CD1 3.47Å; Y11-L52 HydrophobicContact CD1-CD2 4.17Å; Y11-L52 HydrophobicContact CD1-CG 4.48Å; Y11-L52 HydrophobicContact CD2-CD2 4.27Å; Y11-L52 HydrophobicContact CE1-CD1 3.85Å; Y11-L52 HydrophobicContact CE1-CD2 3.96Å; Y11-L52 HydrophobicContact CE2-CD2 4.07Å; Y11-L52 HydrophobicContact CG-CD1 3.93Å; Y11-L52 HydrophobicContact CG-CD2 4.31Å; F32-L52 HydrophobicContact CB-CB 3.46Å; F32-L52 VanDerWaalsContact CB-CB 3.46Å; F32-L52 HydrophobicContact CB-CD2 4.26Å; F32-L52 HydrophobicContact CD1-CD2 4.24Å; F32-L52 HydrophobicContact CD2-CD2 3.99Å; F32-L52 HydrophobicContact CE2-CD2 4.36Å; F32-L52 HydrophobicContact CG-CB 4.07Å; F32-L52 HydrophobicContact CG-CD2 3.92Å; F32-L52 PolarHBondContact O-N 2.7Å; F32-L52 VanDerWaalsContact O-N 3.1Å; L52-F59 HydrophobicContact CB-CD1 4.29Å; L52-F59 HydrophobicContact CB-CE1 4Å; L52-F59 HydrophobicContact CB-CE2 4.31Å; L52-F59 HydrophobicContact CB-CZ 4.01Å; L52-F59 HydrophobicContact CD1-CD2 3.89Å; L52-F59 HydrophobicContact CD1-CE2 4Å; L52-F59 HydrophobicContact CD1-CG 4.34Å |
| 53 | E | 92.9 | Very high | 94 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 31% | 0.308 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.2 | 172.4 | -174.6 | 150.1 | -94.5 | 0 | 0 | 109.5 | G51 E55 S56 S57 E58 V60 R62 | G51-E53 PolarHBondContact O-N 3.39Å; E53-E55 VanDerWaalsContact C-N 3.29Å; E53-E55 PolarHBondContact O-N 2.94Å; E53-S56 WeakPolarHBondContact CB-OG 3.44Å; E53-S57 WeakPolarHBondContact O-CA 3.23Å; E53-S57 PolarHBondContact O-N 3.3Å; E53-E58 PolarHBondContact N-O 3.13Å; E53-V60 HydrophobicContact CB-CG2 4.4Å; E53-R62 IonicContact OE1-CZ 2.9Å; E53-R62 IonicContact OE1-NH1 3.27Å; E53-R62 PolarHBondContact OE1-NH1 2.93Å; E53-R62 IonicContact OE1-NH2 3.62Å; E53-R62 PolarHBondContact OE1-NH2 2.9Å |
| 54 | E | 83.8 | Confident | 94.4 | Very high | 133 Ų | 133 | 52.8 Ų | 52.8 | 62% | 0.621 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -32.5 | -171.9 | -65.5 | -169.3 | 163.5 | 0 | 0 | 112.5 | R31 | R31-E54 IonicContact NH1-OE1 3.78Š|
| 55 | E | 86.8 | Confident | 94.5 | Very high | 193 Ų | 193 | 50.4 Ų | 50.4 | 90% | 0.902 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -45.8 | -179.2 | -64.2 | -176.1 | 179.4 | 0 | 0 | 112.4 | E53 | E53-E55 VanDerWaalsContact C-N 3.29Å; E53-E55 PolarHBondContact O-N 2.94Å |
| 56 | S | 89.3 | Confident | 94.5 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -17.3 | 179.7 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | E53 E58 | E53-S56 WeakPolarHBondContact CB-OG 3.44Å; S56-E58 PolarHBondContact O-N 2.84Å |
| 57 | S | 89.5 | Confident | 94.5 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 38.1 | -172 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | K8 E53 | K8-S57 PolarHBondContact NZ-O 2.93Å; E53-S57 WeakPolarHBondContact O-CA 3.23Å; E53-S57 PolarHBondContact O-N 3.3Å |
| 58 | E | 93.3 | Very high | 94.2 | Very high | 118 Ų | 118 | 53.6 Ų | 53.6 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.5 | -179.5 | -70.9 | -179.2 | 175 | 0 | 0 | 110.6 | E53 S56 | E53-E58 PolarHBondContact N-O 3.13Å; S56-E58 PolarHBondContact O-N 2.84Å |
| 59 | F | 95.7 | Very high | 94 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.8 | 172 | -91 | -81.3 | 0 | 0 | 0 | 110.1 | Y13 F32 L34 V50 G51 L52 I339 | Y13-F59 HydrophobicContact CD2-CB 3.7Å; Y13-F59 HydrophobicContact CG-CB 4.02Å; F32-F59 WeakPolarHBondContact O-CE1 3.49Å; L34-F59 HydrophobicContact CD1-CE1 3.79Å; L34-F59 HydrophobicContact CD1-CZ 3.94Å; V50-F59 HydrophobicContact CB-CD1 4.2Å; V50-F59 HydrophobicContact CG2-CD1 4.05Å; V50-F59 HydrophobicContact CG2-CE1 4.31Å; G51-F59 VanDerWaalsContact C-CD1 3.45Å; L52-F59 HydrophobicContact CB-CD1 4.29Å; L52-F59 HydrophobicContact CB-CE1 4Å; L52-F59 HydrophobicContact CB-CE2 4.31Å; L52-F59 HydrophobicContact CB-CZ 4.01Å; L52-F59 HydrophobicContact CD1-CD2 3.89Å; L52-F59 HydrophobicContact CD1-CE2 4Å; L52-F59 HydrophobicContact CD1-CG 4.34Å; F59-I339 HydrophobicContact CE2-CD1 3.65Å; F59-I339 HydrophobicContact CE2-CG1 3.82Å; F59-I339 HydrophobicContact CE2-CG2 4.45Å; F59-I339 HydrophobicContact CZ-CD1 3.67Å; F59-I339 HydrophobicContact CZ-CG1 4.19Å; F59-I339 HydrophobicContact CZ-CG2 4.29Å |
| 60 | V | 95.8 | Very high | 93.9 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 143.3 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 110.3 | V50 G51 E53 R62 | V50-V60 WeakPolarHBondContact CA-O 3.11Å; G51-V60 PolarHBondContact N-O 2.77Å; G51-V60 PolarHBondContact O-N 3.42Å; E53-V60 HydrophobicContact CB-CG2 4.4Å; V60-R62 VanDerWaalsContact CG2-NE 3.34Å; V60-R62 PolarHBondContact O-N 2.99Å |
| 61 | C | 96.1 | Very high | 93.8 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 37% | 0.365 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 119.3 | 170.1 | 176 | 0 | 0 | 0 | 0 | 109.1 | T64 | C61-T64 PolarHBondContact SG-OG1 2.84Å; C61-T64 VanDerWaalsContact SG-OG1 3.35Å |
| 62 | R | 95 | Very high | 93.8 | Very high | 133 Ų | 133 | 60.7 Ų | 60.7 | 50% | 0.502 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -34.8 | 178.4 | -60.9 | -67.6 | -176.8 | -174.7 | -7.5 | 111.7 | I49 E53 V60 | I49-R62 WeakPolarHBondContact O-CA 3.5Å; I49-R62 WeakPolarHBondContact O-CB 3.16Å; I49-R62 PolarHBondContact O-N 3.34Å; E53-R62 IonicContact OE1-CZ 2.9Å; E53-R62 IonicContact OE1-NH1 3.27Å; E53-R62 PolarHBondContact OE1-NH1 2.93Å; E53-R62 IonicContact OE1-NH2 3.62Å; E53-R62 PolarHBondContact OE1-NH2 2.9Å; V60-R62 VanDerWaalsContact CG2-NE 3.34Å; V60-R62 PolarHBondContact O-N 2.99Å |
| 63 | N | 95.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 150.5 | -179.6 | -158.2 | -29.3 | 0 | 0 | 0 | 110.9 | Q48 I49 T105 | Q48-N63 CarbonylContact C-O 3.31Å; Q48-N63 WeakPolarHBondContact CA-O 3.49Å; I49-N63 HydrophobicContact CB-CB 4.17Å; I49-N63 HydrophobicContact CD1-CB 4.25Å; I49-N63 HydrophobicContact CG1-CB 4.47Å; I49-N63 PolarHBondContact N-O 2.69Å; I49-N63 PolarHBondContact O-N 2.77Å; N63-T105 PolarHBondContact ND2-N 3.14Å; N63-T105 VanDerWaalsContact ND2-N 3.17Å; N63-T105 PolarHBondContact ND2-OG1 3.34Å |
| 64 | T | 96.8 | Very high | 94.2 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 39% | 0.393 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 133 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | K46 V47 Q48 C61 | K46-T64 HydrophobicContact CB-CG2 4.26Å; K46-T64 HydrophobicContact CD-CG2 4.36Å; V47-T64 WeakPolarHBondContact O-CA 3.37Å; Q48-T64 HydrophobicContact CG-CG2 3.86Å; Q48-T64 WeakPolarHBondContact CG-OG1 3.24Å; Q48-T64 PolarHBondContact NE2-OG1 2.87Å; Q48-T64 VanDerWaalsContact NE2-OG1 3.16Å; C61-T64 PolarHBondContact SG-OG1 2.84Å; C61-T64 VanDerWaalsContact SG-OG1 3.35Å |
| 65 | F | 96.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 54 Ų | 54 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 160.9 | 174.1 | 60.4 | -86.6 | 0 | 0 | 0 | 111.6 | K46 V47 I49 L88 W98 T105 | K46-F65 WeakPolarHBondContact CA-O 3.41Å; V47-F65 HydrophobicContact CB-CD1 4.3Å; V47-F65 HydrophobicContact CB-CD2 4.2Å; V47-F65 HydrophobicContact CB-CE1 3.71Å; V47-F65 HydrophobicContact CB-CE2 3.6Å; V47-F65 HydrophobicContact CB-CZ 3.34Å; V47-F65 HydrophobicContact CG1-CE1 3.57Å; V47-F65 HydrophobicContact CG1-CE2 4.09Å; V47-F65 HydrophobicContact CG1-CZ 3.32Å; V47-F65 HydrophobicContact CG2-CE2 4.01Å; V47-F65 HydrophobicContact CG2-CZ 4.07Å; V47-F65 PolarHBondContact N-O 2.83Å; V47-F65 PolarHBondContact O-N 2.66Å; I49-F65 HydrophobicContact CD1-CE1 4.42Å; F65-L88 HydrophobicContact CE1-CD2 4.24Å; F65-L88 HydrophobicContact CZ-CD2 3.91Å; F65-W98 HydrophobicContact CD2-CD2 4.09Å; F65-W98 AromaticContact CD2-CE3 3.83Å; F65-W98 HydrophobicContact CD2-CE3 3.83Å; F65-W98 AromaticContact CD2-CH2 3.85Å; F65-W98 HydrophobicContact CD2-CH2 3.85Å; F65-W98 HydrophobicContact CD2-CZ2 4.1Å; F65-W98 AromaticContact CD2-CZ3 3.71Å; F65-W98 HydrophobicContact CD2-CZ3 3.71Å; F65-W98 AromaticContact CE2-CD2 3.51Å; F65-W98 HydrophobicContact CE2-CD2 3.51Å; F65-W98 AromaticContact CE2-CE2 3.51Å; F65-W98 AromaticContact CE2-CE3 3.75Å; F65-W98 HydrophobicContact CE2-CE3 3.75Å; F65-W98 HydrophobicContact CE2-CG 4.01Å; F65-W98 AromaticContact CE2-CH2 3.98Å; F65-W98 HydrophobicContact CE2-CH2 3.98Å; F65-W98 AromaticContact CE2-CZ2 3.76Å; F65-W98 HydrophobicContact CE2-CZ2 3.76Å; F65-W98 AromaticContact CE2-CZ3 3.98Å; F65-W98 HydrophobicContact CE2-CZ3 3.98Å; F65-W98 AromaticContact CE2-NE1 3.96Å; F65-W98 HydrophobicContact CZ-CD2 4.12Å; F65-W98 HydrophobicContact CZ-CG 4.16Å; F65-T105 HydrophobicContact CD1-CG2 3.65Å; F65-T105 HydrophobicContact CE1-CG2 3.63Å; F65-T105 HydrophobicContact CG-CG2 4.14Å; F65-T105 HydrophobicContact CZ-CG2 4.06Å |
| 66 | D | 96.8 | Very high | 95.4 | Very high | 108 Ų | 108 | 45 Ų | 45 | 58% | 0.578 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 140.5 | -174.4 | -63.5 | -19.3 | 0 | 0 | 0 | 111.8 | K46 | K46-D66 WeakPolarHBondContact CD-OD1 3.41Å; K46-D66 WeakPolarHBondContact CE-OD1 3.34Å; K46-D66 IonicContact NZ-OD1 3.96Å; K46-D66 PolarHBondContact NZ-OD1 3.04Å |
| 67 | H | 96.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 132.7 | 172.4 | -161.2 | -87.2 | 0 | 0 | 0 | 109.7 | N45 V47 Y69 T90 W98 | N45-H67 CarbonylContact C-O 3.53Å; N45-H67 VanDerWaalsContact C-O 3.27Å; N45-H67 VanDerWaalsContact CA-O 3.28Å; N45-H67 WeakPolarHBondContact CA-O 3.39Å; N45-H67 HydrophobicContact CB-CB 4.44Å; N45-H67 VanDerWaalsContact CB-O 3.23Å; N45-H67 WeakPolarHBondContact CB-O 3.36Å; N45-H67 PolarHBondContact N-O 3Å; N45-H67 PolarHBondContact O-N 2.79Å; V47-H67 HydrophobicContact CG2-CB 4.15Å; H67-Y69 PolarHBondContact ND1-O 3.18Å; H67-Y69 PolarHBondContact O-N 3.44Å; H67-T90 PolarHBondContact CD2-OG1 2.86Å; H67-T90 PolarHBondContact NE2-OG1 2.91Å; H67-W98 AromaticContact CD2-CZ2 3.93Å |
| 68 | P | 93.1 | Very high | 96 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -51.5 | -46.5 | -179.3 | -40.2 | 45.5 | 0 | 0 | 0 | 116.4 | Y43 | Y43-P68 CarbonylContact C-O 3.48Å; Y43-P68 WeakPolarHBondContact CA-O 3.35Å; Y43-P68 HydrophobicContact CD2-CB 4.28Å; Y43-P68 VanDerWaalsContact CD2-O 3.32Å; Y43-P68 WeakPolarHBondContact CD2-O 3.43Å; Y43-P68 HydrophobicContact CE1-CB 4.19Å; Y43-P68 HydrophobicContact CE2-CB 3.53Å; Y43-P68 VanDerWaalsContact CZ-CB 3.46Å; Y43-P68 WeakPolarHBondContact OH-CB 3.28Å |
| 69 | Y | 94 | Very high | 95.9 | Very high | 110 Ų | 110 | 36.6 Ų | 36.6 | 43% | 0.431 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -132.2 | 168.3 | -173.3 | -66.1 | -72.2 | 0 | 0 | 0 | 110.6 | Y43 N45 H67 T71 D93 | Y43-Y69 HydrophobicContact CD2-CD1 4.19Å; Y43-Y69 HydrophobicContact CD2-CD2 4.47Å; Y43-Y69 AromaticContact CD2-CE1 3.64Å; Y43-Y69 HydrophobicContact CD2-CE1 3.64Å; Y43-Y69 AromaticContact CD2-CE2 3.97Å; Y43-Y69 HydrophobicContact CD2-CE2 3.97Å; Y43-Y69 AromaticContact CD2-CZ 3.51Å; Y43-Y69 HydrophobicContact CE2-CD2 4.1Å; Y43-Y69 HydrophobicContact CE2-CE1 4.03Å; Y43-Y69 AromaticContact CE2-CE2 3.46Å; Y43-Y69 HydrophobicContact CE2-CE2 3.46Å; Y43-Y69 VanDerWaalsContact CE2-CE2 3.46Å; Y43-Y69 AromaticContact CE2-CZ 3.41Å; Y43-Y69 VanDerWaalsContact CE2-CZ 3.41Å; N45-Y69 VanDerWaalsContact CB-O 3.32Å; N45-Y69 WeakPolarHBondContact CB-O 3.27Å; N45-Y69 VanDerWaalsContact CG-C 3.42Å; H67-Y69 PolarHBondContact ND1-O 3.18Å; H67-Y69 PolarHBondContact O-N 3.44Å; Y69-T71 PolarHBondContact O-N 2.78Å; Y69-D93 HydrophobicContact CD2-CB 3.96Å; Y69-D93 HydrophobicContact CE2-CB 3.93Å |
| 70 | P | 95.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 18% | 0.175 | 21% | 0.209 | C | C | . | . | trans | -54.5 | 132.2 | 168.3 | -24.1 | 35.4 | 0 | 0 | 0 | 109.6 | Y20 S38 F39 N45 T72 | Y20-P70 HydrophobicContact CD1-CB 3.87Å; Y20-P70 HydrophobicContact CE1-CB 4.24Å; S38-P70 WeakPolarHBondContact O-CA 3.34Å; F39-P70 HydrophobicContact CD2-CB 3.9Å; F39-P70 HydrophobicContact CD2-CG 3.9Å; F39-P70 HydrophobicContact CE2-CB 4.42Å; F39-P70 HydrophobicContact CE2-CG 4.15Å; F39-P70 HydrophobicContact CG-CG 4.49Å; N45-P70 VanDerWaalsContact CG-N 3.31Å; N45-P70 VanDerWaalsContact ND2-CD 3.28Å; N45-P70 WeakPolarHBondContact ND2-CD 3.33Å; P70-T72 PolarHBondContact O-N 2.94Å | ||
| 71 | T | 95.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | trans | -72 | 114.6 | -179.3 | 52 | 0 | 0 | 0 | 0 | 109.3 | Y20 A21 V47 Y69 K73 I74 T90 S91 | Y20-T71 WeakPolarHBondContact CD1-O 3.36Å; Y20-T71 WeakPolarHBondContact CE1-O 3.34Å; A21-T71 WeakPolarHBondContact CB-O 3.41Å; A21-T71 WeakPolarHBondContact CB-OG1 3.25Å; V47-T71 HydrophobicContact CG2-CG2 3.67Å; Y69-T71 PolarHBondContact O-N 2.78Å; T71-K73 PolarHBondContact O-N 2.76Å; T71-I74 HydrophobicContact CG2-CD1 4.08Å; T71-I74 HydrophobicContact CG2-CG1 4.04Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.46Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.43Å; T71-T90 HydrophobicContact CG2-CG2 4.25Å; T71-S91 CarbonylContact C-O 3.52Å; T71-S91 WeakPolarHBondContact CA-O 3.49Å | ||
| 72 | T | 95.6 | Very high | 95 | Very high | 35 Ų | 35 | 44.8 Ų | 44.8 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -63.3 | -28 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | P70 S91 L123 | P70-T72 PolarHBondContact O-N 2.94Å; T72-S91 PolarHBondContact N-O 3.32Å; T72-S91 WeakPolarHBondContact OG1-CB 3.5Å; T72-S91 PolarHBondContact OG1-OG 2.88Å; T72-L123 WeakPolarHBondContact CB-O 3.47Å; T72-L123 VanDerWaalsContact CG2-O 3.32Å; T72-L123 WeakPolarHBondContact CG2-O 3.21Å; T72-L123 PolarHBondContact OG1-O 2.96Å |
| 73 | K | 97.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 20% | 0.2 | 22% | 0.222 | C | C | . | . | trans | -155.8 | 157.4 | 169.2 | -163.3 | 158.5 | 172.9 | -171.7 | 0 | 110.1 | T71 M75 S91 S125 F126 D179 | T71-K73 PolarHBondContact O-N 2.76Å; K73-M75 HydrophobicContact CG-CG 4.4Å; K73-S91 PolarHBondContact N-OG 2.95Å; K73-S91 PolarHBondContact O-N 3.41Å; K73-S91 VanDerWaalsContact O-N 3.09Å; K73-S91 PolarHBondContact O-OG 3.4Å; K73-S125 WeakPolarHBondContact CD-OG 3.35Å; K73-S125 PolarHBondContact NZ-OG 2.77Å; K73-F126 HydrophobicContact CB-CD1 3.8Å; K73-F126 HydrophobicContact CB-CE1 3.79Å; K73-F126 WeakPolarHBondContact CD-O 3.4Å; K73-F126 WeakPolarHBondContact CE-O 3.45Å; K73-F126 HydrophobicContact CG-CD1 4.28Å; K73-F126 HydrophobicContact CG-CE1 4.13Å; K73-F126 PolarHBondContact NZ-O 3.5Å; K73-F126 WeakPolarHBondContact O-CE1 3.17Å; K73-D179 IonicContact NZ-OD1 3.65Å | ||
| 74 | I | 98.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.2 | 174.3 | -62.4 | -177.1 | 0 | 0 | 0 | 107.2 | A21 N23 A35 V47 T71 L88 A89 T90 | A21-I74 HydrophobicContact CB-CB 4.49Å; A21-I74 HydrophobicContact CB-CD1 4.17Å; A21-I74 HydrophobicContact CB-CG1 3.95Å; N23-I74 HydrophobicContact CB-CG2 4.49Å; N23-I74 WeakPolarHBondContact CB-O 3.4Å; A35-I74 HydrophobicContact CB-CG2 3.77Å; V47-I74 HydrophobicContact CG1-CD1 4.07Å; V47-I74 HydrophobicContact CG2-CD1 4.13Å; T71-I74 HydrophobicContact CG2-CD1 4.08Å; T71-I74 HydrophobicContact CG2-CG1 4.04Å; T71-I74 WeakPolarHBondContact OG1-CD1 3.46Å; T71-I74 WeakPolarHBondContact OG1-CG1 3.43Å; I74-L88 HydrophobicContact CG2-CD1 3.58Å; I74-L88 HydrophobicContact CG2-CG 4.21Å; I74-A89 WeakPolarHBondContact CA-O 3.38Å; I74-T90 HydrophobicContact CG1-CG2 4.05Å; I74-T90 HydrophobicContact CG2-CG2 4.39Å |
| 75 | M | 98.4 | Very high | 94 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 136.2 | 173.6 | -63.4 | -177 | 66.5 | 0 | 0 | 111.3 | N23 K73 A89 F126 D127 W128 | N23-M75 WeakPolarHBondContact OD1-CA 3.49Å; K73-M75 HydrophobicContact CG-CG 4.4Å; M75-A89 PolarHBondContact N-O 3.49Å; M75-A89 PolarHBondContact O-N 2.88Å; M75-F126 HydrophobicContact CB-CE2 3.82Å; M75-F126 HydrophobicContact CB-CZ 3.7Å; M75-F126 HydrophobicContact CG-CE2 3.96Å; M75-F126 HydrophobicContact CG-CZ 3.79Å; M75-F126 HydrophobicContact SD-CD2 4.35Å; M75-F126 HydrophobicContact SD-CE2 3.94Å; M75-F126 HydrophobicContact SD-CZ 4.31Å; M75-D127 VanDerWaalsContact CE-OD1 3.3Å; M75-D127 WeakPolarHBondContact CE-OD1 3.29Å; M75-W128 HydrophobicContact CE-CB 4.17Å |
| 76 | W | 97.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 152.4 | 166 | -67.7 | 87.5 | 0 | 0 | 0 | 110.2 | N23 W24 R33 A35 I49 D86 L88 V100 | N23-W76 PolarHBondContact O-NE1 2.67Å; N23-W76 PolarHBondContact OD1-N 2.84Å; W24-W76 VanDerWaalsContact C-CD1 3.41Å; W24-W76 VanDerWaalsContact O-CD1 3.25Å; R33-W76 HydrophobicContact CG-CZ2 4.25Å; A35-W76 HydrophobicContact CB-CZ2 4.05Å; I49-W76 HydrophobicContact CD1-CH2 3.96Å; I49-W76 HydrophobicContact CD1-CZ2 4.37Å; I49-W76 HydrophobicContact CG1-CH2 4.44Å; I49-W76 HydrophobicContact CG1-CZ2 4.36Å; I49-W76 HydrophobicContact CG2-CH2 4.25Å; I49-W76 HydrophobicContact CG2-CZ2 4.12Å; W76-D86 VanDerWaalsContact CZ3-OD1 3.24Å; W76-D86 WeakPolarHBondContact CZ3-OD1 3.3Å; W76-L88 HydrophobicContact CD2-CD1 3.73Å; W76-L88 HydrophobicContact CE3-CB 4.36Å; W76-L88 HydrophobicContact CE3-CD1 4.23Å; W76-L88 HydrophobicContact CG-CD1 3.92Å; W76-L88 HydrophobicContact CZ2-CD1 4.26Å; W76-L88 HydrophobicContact CZ3-CB 4.45Å; W76-V100 HydrophobicContact CH2-CB 4.23Å; W76-V100 HydrophobicContact CH2-CG1 4.06Å; W76-V100 HydrophobicContact CH2-CG2 3.86Å; W76-V100 HydrophobicContact CZ3-CB 4Å; W76-V100 HydrophobicContact CZ3-CG1 4.27Å; W76-V100 HydrophobicContact CZ3-CG2 3.73Å |
| 77 | I | 96.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | trans | -52.8 | 132.8 | 168.5 | -174.9 | 169.5 | 0 | 0 | 0 | 109.4 | V26 D79 Y84 L87 W128 P133 | V26-I77 WeakPolarHBondContact CG2-O 3.4Å; I77-D79 HydrophobicContact CG1-CB 4.27Å; I77-D79 HydrophobicContact CG2-CB 4.15Å; I77-D79 PolarHBondContact O-N 3.49Å; I77-Y84 HydrophobicContact CD1-CD1 4.08Å; I77-Y84 HydrophobicContact CD1-CD2 4.33Å; I77-Y84 HydrophobicContact CD1-CG 3.78Å; I77-L87 HydrophobicContact CB-CB 4.09Å; I77-L87 HydrophobicContact CD1-CD1 4.22Å; I77-L87 HydrophobicContact CG2-CB 4.14Å; I77-L87 WeakPolarHBondContact CG2-O 3.4Å; I77-L87 PolarHBondContact N-O 3.02Å; I77-W128 HydrophobicContact CB-CE3 4.44Å; I77-W128 HydrophobicContact CB-CH2 3.74Å; I77-W128 HydrophobicContact CB-CZ2 3.9Å; I77-W128 HydrophobicContact CB-CZ3 4Å; I77-W128 HydrophobicContact CD1-CZ2 4.15Å; I77-W128 HydrophobicContact CG1-CH2 4.2Å; I77-W128 HydrophobicContact CG1-CZ2 3.82Å; I77-P133 HydrophobicContact CD1-CB 4.19Å; I77-P133 HydrophobicContact CG1-CB 4.15Å | ||
| 78 | P | 94.9 | Very high | 93.9 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 13% | 0.13 | 18% | 0.18 | C | C | . | . | trans | -75 | 47.2 | -177.9 | 30 | -35.8 | 0 | 0 | 0 | 112.8 | T80 W128 N129 E130 | P78-T80 PolarHBondContact O-N 3.13Å; P78-W128 VanDerWaalsContact CD-CG 3.45Å; P78-W128 HydrophobicContact CG-CB 4.29Å; P78-W128 HydrophobicContact CG-CG 4.05Å; P78-N129 WeakPolarHBondContact CG-O 3.48Å; P78-E130 HydrophobicContact CB-CB 4.36Å; P78-E130 HydrophobicContact CB-CG 4.02Å | ||
| 79 | D | 92.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | trans | -95.2 | 87.4 | -178.8 | -179.9 | 18.7 | 0 | 0 | 0 | 112 | I77 K81 G82 V83 Y84 | I77-D79 HydrophobicContact CG1-CB 4.27Å; I77-D79 HydrophobicContact CG2-CB 4.15Å; I77-D79 PolarHBondContact O-N 3.49Å; D79-K81 PolarHBondContact O-N 2.85Å; D79-K81 PolarHBondContact OD1-N 2.84Å; D79-G82 PolarHBondContact OD1-N 2.91Å; D79-G82 WeakPolarHBondContact OD2-CA 3.41Å; D79-G82 PolarHBondContact OD2-N 2.99Å; D79-V83 PolarHBondContact OD1-N 3.36Å; D79-V83 PolarHBondContact OD2-N 2.99Å; D79-Y84 HydrophobicContact CB-CD2 3.91Å; D79-Y84 WeakPolarHBondContact OD2-CB 3.32Å; D79-Y84 PolarHBondContact OD2-N 2.92Å | ||
| 80 | T | 90.5 | Very high | 94.3 | Very high | 89 Ų | 89 | 28 Ų | 28 | 55% | 0.546 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -8.1 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | P28 P78 | P28-T80 WeakPolarHBondContact CG-O 3.45Å; P78-T80 PolarHBondContact O-N 3.13Å |
| 81 | K | 90.1 | Very high | 94.4 | Very high | 170 Ų | 170 | 26.8 Ų | 26.8 | 74% | 0.739 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -12.1 | -179.4 | -63.9 | -177.1 | -177 | 175.6 | 0 | 113 | D79 V83 | D79-K81 PolarHBondContact O-N 2.85Å; D79-K81 PolarHBondContact OD1-N 2.84Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 HydrophobicContact CB-CG1 3.9Å; K81-V83 HydrophobicContact CB-CG2 4.43Å; K81-V83 PolarHBondContact O-N 3.23Å |
| 82 | G | 87.7 | Confident | 94.3 | Very high | 21 Ų | 21 | 26.9 Ų | 26.9 | 22% | 0.216 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 66.2 | 31.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D79 | D79-G82 PolarHBondContact OD1-N 2.91Å; D79-G82 WeakPolarHBondContact OD2-CA 3.41Å; D79-G82 PolarHBondContact OD2-N 2.99Å |
| 83 | V | 88.1 | Confident | 94.1 | Very high | 70 Ų | 70 | 26.5 Ų | 26.5 | 42% | 0.424 | 14% | 0.142 | S | C | . | . | trans | -91.9 | -15.8 | -179.5 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | D79 K81 | D79-V83 PolarHBondContact OD1-N 3.36Å; D79-V83 PolarHBondContact OD2-N 2.99Å; K81-V83 VanDerWaalsContact C-N 3.31Å; K81-V83 HydrophobicContact CB-CG1 3.9Å; K81-V83 HydrophobicContact CB-CG2 4.43Å; K81-V83 PolarHBondContact O-N 3.23Å | ||
| 84 | Y | 88.5 | Confident | 94 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 11% | 0.114 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -97.5 | 162.6 | 175.2 | -67.5 | -92.6 | 0 | 0 | 0 | 110.6 | I77 D79 P133 T152 Q154 | I77-Y84 HydrophobicContact CD1-CD1 4.08Å; I77-Y84 HydrophobicContact CD1-CD2 4.33Å; I77-Y84 HydrophobicContact CD1-CG 3.78Å; D79-Y84 HydrophobicContact CB-CD2 3.91Å; D79-Y84 WeakPolarHBondContact OD2-CB 3.32Å; D79-Y84 PolarHBondContact OD2-N 2.92Å; Y84-P133 HydrophobicContact CE1-CB 4.35Å; Y84-P133 HydrophobicContact CE2-CB 4.11Å; Y84-P133 HydrophobicContact CE2-CG 3.85Å; Y84-T152 VanDerWaalsContact CD1-OG1 3.23Å; Y84-T152 WeakPolarHBondContact CD1-OG1 3.31Å; Y84-T152 WeakPolarHBondContact CE1-OG1 3.12Å; Y84-Q154 HydrophobicContact CD1-CG 3.7Å; Y84-Q154 HydrophobicContact CE1-CG 3.3Å; Y84-Q154 VanDerWaalsContact CE1-NE2 3.3Å; Y84-Q154 PolarHBondContact OH-NE2 3.13Å |
| 85 | P | 90.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 26 Ų | 26 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | trans | -48.8 | 148.3 | 159.8 | -30.4 | 39.7 | 0 | 0 | 0 | 112.6 | L87 R99 | P85-L87 HydrophobicContact CB-CD2 3.83Å; P85-L87 HydrophobicContact CB-CG 3.96Å; P85-L87 PolarHBondContact O-N 3.37Å; P85-R99 VanDerWaalsContact CB-NH1 3.25Å | ||
| 86 | D | 93.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.064 | 14% | 0.137 | C | C | . | . | trans | -74.4 | 92.8 | 174.4 | -158.1 | 7.2 | 0 | 0 | 0 | 108.9 | R27 R33 W76 V100 | R27-D86 VanDerWaalsContact CD-OD1 3.31Å; R27-D86 WeakPolarHBondContact CD-OD1 3.4Å; R27-D86 IonicContact NH1-OD2 2.97Å; R33-D86 IonicContact CZ-OD1 3.46Å; R33-D86 IonicContact CZ-OD2 3.49Å; R33-D86 IonicContact NH1-OD2 3.38Å; R33-D86 PolarHBondContact NH1-OD2 3.17Å; R33-D86 VanDerWaalsContact NH2-CG 3.26Å; R33-D86 IonicContact NH2-OD1 3.52Å; R33-D86 PolarHBondContact NH2-OD1 3.07Å; R33-D86 IonicContact NH2-OD2 3.87Å; R33-D86 PolarHBondContact NH2-OD2 2.85Å; W76-D86 VanDerWaalsContact CZ3-OD1 3.24Å; W76-D86 WeakPolarHBondContact CZ3-OD1 3.3Å; D86-V100 HydrophobicContact CB-CB 4.5Å; D86-V100 PolarHBondContact O-N 3.16Å | ||
| 87 | L | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.3 | -176.5 | -56.1 | 179.8 | 0 | 0 | 0 | 111.1 | I77 P85 I97 W98 R99 W128 T152 V162 | I77-L87 HydrophobicContact CB-CB 4.09Å; I77-L87 HydrophobicContact CD1-CD1 4.22Å; I77-L87 HydrophobicContact CG2-CB 4.14Å; I77-L87 WeakPolarHBondContact CG2-O 3.4Å; I77-L87 PolarHBondContact N-O 3.02Å; P85-L87 HydrophobicContact CB-CD2 3.83Å; P85-L87 HydrophobicContact CB-CG 3.96Å; P85-L87 PolarHBondContact O-N 3.37Å; L87-I97 HydrophobicContact CB-CG2 4.14Å; L87-I97 HydrophobicContact CD1-CG2 4.04Å; L87-I97 HydrophobicContact CD2-CG2 4.23Å; L87-I97 HydrophobicContact CG-CG2 4.35Å; L87-W98 CarbonylContact C-O 3.59Å; L87-W98 VanDerWaalsContact CA-O 3.28Å; L87-W98 WeakPolarHBondContact CA-O 3.44Å; L87-R99 HydrophobicContact CD2-CB 4.1Å; L87-R99 HydrophobicContact CD2-CG 4.42Å; L87-W128 HydrophobicContact CB-CH2 3.85Å; L87-W128 HydrophobicContact CD1-CH2 4.48Å; L87-T152 HydrophobicContact CD1-CG2 4.11Å; L87-V162 HydrophobicContact CD1-CG2 3.98Å; L87-V162 HydrophobicContact CD2-CG2 4.19Å |
| 88 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.6 | 174 | -178.1 | 69.5 | 0 | 0 | 0 | 108 | A35 V47 F65 I74 W76 W98 V100 | A35-L88 HydrophobicContact CB-CD1 3.77Å; A35-L88 HydrophobicContact CB-CD2 3.94Å; V47-L88 HydrophobicContact CG1-CD2 4.15Å; F65-L88 HydrophobicContact CE1-CD2 4.24Å; F65-L88 HydrophobicContact CZ-CD2 3.91Å; I74-L88 HydrophobicContact CG2-CD1 3.58Å; I74-L88 HydrophobicContact CG2-CG 4.21Å; W76-L88 HydrophobicContact CD2-CD1 3.73Å; W76-L88 HydrophobicContact CE3-CB 4.36Å; W76-L88 HydrophobicContact CE3-CD1 4.23Å; W76-L88 HydrophobicContact CG-CD1 3.92Å; W76-L88 HydrophobicContact CZ2-CD1 4.26Å; W76-L88 HydrophobicContact CZ3-CB 4.45Å; L88-W98 HydrophobicContact CB-CB 4.33Å; L88-W98 PolarHBondContact N-O 2.78Å; L88-W98 VanDerWaalsContact O-CD1 3.3Å; L88-W98 PolarHBondContact O-N 3.48Å; L88-V100 HydrophobicContact CB-CG2 3.99Å |
| 89 | A | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I74 M75 L95 R96 I97 F126 W128 L136 | I74-A89 WeakPolarHBondContact CA-O 3.38Å; M75-A89 PolarHBondContact N-O 3.49Å; M75-A89 PolarHBondContact O-N 2.88Å; A89-L95 HydrophobicContact CB-CD1 4.3Å; A89-R96 CarbonylContact C-O 3.37Å; A89-R96 VanDerWaalsContact CA-O 3.26Å; A89-R96 WeakPolarHBondContact CA-O 3.45Å; A89-I97 HydrophobicContact CB-CD1 3.7Å; A89-F126 HydrophobicContact CB-CE2 3.51Å; A89-F126 HydrophobicContact CB-CZ 3.47Å; A89-F126 VanDerWaalsContact CB-CZ 3.47Å; A89-F126 WeakPolarHBondContact O-CZ 3.42Å; A89-W128 HydrophobicContact CB-CE3 3.72Å; A89-W128 HydrophobicContact CB-CH2 4.23Å; A89-W128 HydrophobicContact CB-CZ3 3.39Å; A89-L136 HydrophobicContact CB-CD2 4.09Å |
| 90 | T | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.5 | 174.9 | 69.1 | 0 | 0 | 0 | 0 | 110.3 | V47 H67 T71 I74 R96 W98 | V47-T90 HydrophobicContact CG2-CG2 4.32Å; H67-T90 PolarHBondContact CD2-OG1 2.86Å; H67-T90 PolarHBondContact NE2-OG1 2.91Å; T71-T90 HydrophobicContact CG2-CG2 4.25Å; I74-T90 HydrophobicContact CG1-CG2 4.05Å; I74-T90 HydrophobicContact CG2-CG2 4.39Å; T90-R96 PolarHBondContact N-O 2.85Å; T90-R96 PolarHBondContact O-N 2.85Å; T90-W98 PolarHBondContact OG1-NE1 2.79Å |
| 91 | S | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -108.4 | 155.5 | 174.4 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | T71 T72 K73 F126 | T71-S91 CarbonylContact C-O 3.52Å; T71-S91 WeakPolarHBondContact CA-O 3.49Å; T72-S91 PolarHBondContact N-O 3.32Å; T72-S91 WeakPolarHBondContact OG1-CB 3.5Å; T72-S91 PolarHBondContact OG1-OG 2.88Å; K73-S91 PolarHBondContact N-OG 2.95Å; K73-S91 PolarHBondContact O-N 3.41Å; K73-S91 VanDerWaalsContact O-N 3.09Å; K73-S91 PolarHBondContact O-OG 3.4Å; S91-F126 WeakPolarHBondContact OG-CD1 3.45Å | ||
| 92 | G | 93.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -176.9 | -118.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | Y94 L123 | G92-Y94 VanDerWaalsContact C-N 3.33Å; G92-Y94 PolarHBondContact N-O 2.85Å; G92-L123 WeakPolarHBondContact O-CB 3.3Å; G92-L123 PolarHBondContact O-N 2.96Å |
| 93 | D | 91.6 | Very high | 93.7 | Very high | 27 Ų | 27 | 29.9 Ų | 29.9 | 14% | 0.144 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -61.9 | -37.9 | 164.2 | 56.6 | -25.3 | 0 | 0 | 0 | 113.1 | Y69 R96 | Y69-D93 HydrophobicContact CD2-CB 3.96Å; Y69-D93 HydrophobicContact CE2-CB 3.93Å; D93-R96 VanDerWaalsContact CG-NH2 3.3Å; D93-R96 IonicContact OD1-CZ 2.98Å; D93-R96 VanDerWaalsContact OD1-CZ 3.24Å; D93-R96 IonicContact OD1-NH1 2.76Å; D93-R96 PolarHBondContact OD1-NH1 2.87Å; D93-R96 IonicContact OD1-NH2 3.49Å; D93-R96 PolarHBondContact OD1-NH2 2.86Å; D93-R96 IonicContact OD2-CZ 3.94Å; D93-R96 IonicContact OD2-NH2 3.29Å; D93-R96 PolarHBondContact OD2-NH2 2.84Å |
| 94 | Y | 94.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 16% | 0.157 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -136.1 | 162 | 177.8 | -59.4 | -58.5 | 0 | 0 | 0 | 110.7 | G92 R96 L110 N112 C120 | G92-Y94 VanDerWaalsContact C-N 3.33Å; G92-Y94 PolarHBondContact N-O 2.85Å; Y94-R96 PolarHBondContact O-NH1 2.78Å; Y94-L110 HydrophobicContact CD2-CD1 4.04Å; Y94-L110 HydrophobicContact CD2-CD2 4.39Å; Y94-L110 HydrophobicContact CG-CD1 4.08Å; Y94-N112 HydrophobicContact CD1-CB 3.82Å; Y94-N112 HydrophobicContact CE1-CB 3.95Å; Y94-N112 WeakPolarHBondContact CE1-ND2 3.21Å; Y94-N112 VanDerWaalsContact CE1-OD1 3.28Å; Y94-N112 WeakPolarHBondContact CE1-OD1 3.44Å; Y94-N112 HydrophobicContact CG-CB 4.48Å; Y94-C120 HydrophobicContact CD1-CB 4.4Å; Y94-C120 HydrophobicContact CE1-CB 3.61Å |
| 95 | L | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.1 | 168.5 | 176.6 | 64.9 | 0 | 0 | 0 | 108.5 | A89 L111 L123 F126 L136 T138 W148 | A89-L95 HydrophobicContact CB-CD1 4.3Å; L95-L111 HydrophobicContact CB-CB 4.05Å; L95-L111 HydrophobicContact CB-CD1 4.45Å; L95-L111 HydrophobicContact CD2-CB 4.42Å; L95-L111 HydrophobicContact CD2-CD1 3.42Å; L95-L111 VanDerWaalsContact CD2-CD1 3.42Å; L95-L111 HydrophobicContact CG-CB 4.38Å; L95-L111 HydrophobicContact CG-CD1 3.9Å; L95-L111 PolarHBondContact N-O 3.23Å; L95-L111 WeakPolarHBondContact O-CB 3.32Å; L95-L111 PolarHBondContact O-N 2.79Å; L95-L123 HydrophobicContact CB-CD1 3.73Å; L95-F126 HydrophobicContact CD1-CD1 4.16Å; L95-F126 HydrophobicContact CD1-CD2 4.12Å; L95-F126 HydrophobicContact CD1-CE1 4.37Å; L95-F126 HydrophobicContact CD1-CE2 4.36Å; L95-F126 HydrophobicContact CD1-CG 4.01Å; L95-F126 HydrophobicContact CD1-CZ 4.47Å; L95-L136 HydrophobicContact CD2-CB 4.23Å; L95-L136 HydrophobicContact CD2-CD2 4.15Å; L95-T138 HydrophobicContact CB-CG2 4.05Å; L95-T138 HydrophobicContact CD1-CG2 4.47Å; L95-T138 HydrophobicContact CD2-CG2 3.52Å; L95-T138 HydrophobicContact CG-CG2 4.23Å; L95-W148 HydrophobicContact CD2-CG 4.32Å |
| 96 | R | 97 | Very high | 94.4 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135.2 | 179.8 | -71.5 | 177.7 | -175.5 | 77.7 | 0.2 | 110.1 | A89 T90 D93 Y94 W98 L107 L110 | A89-R96 CarbonylContact C-O 3.37Å; A89-R96 VanDerWaalsContact CA-O 3.26Å; A89-R96 WeakPolarHBondContact CA-O 3.45Å; T90-R96 PolarHBondContact N-O 2.85Å; T90-R96 PolarHBondContact O-N 2.85Å; D93-R96 VanDerWaalsContact CG-NH2 3.3Å; D93-R96 IonicContact OD1-CZ 2.98Å; D93-R96 VanDerWaalsContact OD1-CZ 3.24Å; D93-R96 IonicContact OD1-NH1 2.76Å; D93-R96 PolarHBondContact OD1-NH1 2.87Å; D93-R96 IonicContact OD1-NH2 3.49Å; D93-R96 PolarHBondContact OD1-NH2 2.86Å; D93-R96 IonicContact OD2-CZ 3.94Å; D93-R96 IonicContact OD2-NH2 3.29Å; D93-R96 PolarHBondContact OD2-NH2 2.84Å; Y94-R96 PolarHBondContact O-NH1 2.78Å; R96-W98 HydrophobicContact CB-CZ2 4.03Å; R96-W98 VanDerWaalsContact CD-CZ2 3.47Å; R96-W98 HydrophobicContact CG-CZ2 4.34Å; R96-L107 HydrophobicContact CB-CD1 3.79Å; R96-L107 HydrophobicContact CG-CD1 3.91Å; R96-L110 HydrophobicContact CG-CD1 3.43Å; R96-L110 VanDerWaalsContact CG-CD1 3.43Å |
| 97 | I | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.2 | 170.8 | -49.3 | -58.7 | 0 | 0 | 0 | 107.9 | L87 A89 E108 C109 L111 W128 L136 L150 | L87-I97 HydrophobicContact CB-CG2 4.14Å; L87-I97 HydrophobicContact CD1-CG2 4.04Å; L87-I97 HydrophobicContact CD2-CG2 4.23Å; L87-I97 HydrophobicContact CG-CG2 4.35Å; A89-I97 HydrophobicContact CB-CD1 3.7Å; I97-E108 WeakPolarHBondContact O-CA 3.49Å; I97-E108 WeakPolarHBondContact O-CB 3.31Å; I97-E108 PolarHBondContact O-N 2.96Å; I97-C109 HydrophobicContact CB-CB 3.97Å; I97-C109 HydrophobicContact CG1-CB 4.16Å; I97-C109 PolarHBondContact N-O 2.87Å; I97-C109 PolarHBondContact O-N 3.42Å; I97-L111 HydrophobicContact CG1-CD1 4.4Å; I97-W128 HydrophobicContact CD1-CH2 4.29Å; I97-L136 HydrophobicContact CD1-CD2 4.23Å; I97-L150 HydrophobicContact CD1-CD1 4.12Å; I97-L150 HydrophobicContact CG1-CD1 4.19Å; I97-L150 HydrophobicContact CG1-CD2 4.26Å |
| 98 | W | 97.1 | Very high | 94.3 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.4 | 180 | -50.7 | 87.2 | 0 | 0 | 0 | 108.9 | F65 H67 L87 L88 T90 R96 T105 R106 L107 | F65-W98 HydrophobicContact CD2-CD2 4.09Å; F65-W98 AromaticContact CD2-CE3 3.83Å; F65-W98 HydrophobicContact CD2-CE3 3.83Å; F65-W98 AromaticContact CD2-CH2 3.85Å; F65-W98 HydrophobicContact CD2-CH2 3.85Å; F65-W98 HydrophobicContact CD2-CZ2 4.1Å; F65-W98 AromaticContact CD2-CZ3 3.71Å; F65-W98 HydrophobicContact CD2-CZ3 3.71Å; F65-W98 AromaticContact CE2-CD2 3.51Å; F65-W98 HydrophobicContact CE2-CD2 3.51Å; F65-W98 AromaticContact CE2-CE2 3.51Å; F65-W98 AromaticContact CE2-CE3 3.75Å; F65-W98 HydrophobicContact CE2-CE3 3.75Å; F65-W98 HydrophobicContact CE2-CG 4.01Å; F65-W98 AromaticContact CE2-CH2 3.98Å; F65-W98 HydrophobicContact CE2-CH2 3.98Å; F65-W98 AromaticContact CE2-CZ2 3.76Å; F65-W98 HydrophobicContact CE2-CZ2 3.76Å; F65-W98 AromaticContact CE2-CZ3 3.98Å; F65-W98 HydrophobicContact CE2-CZ3 3.98Å; F65-W98 AromaticContact CE2-NE1 3.96Å; F65-W98 HydrophobicContact CZ-CD2 4.12Å; F65-W98 HydrophobicContact CZ-CG 4.16Å; H67-W98 AromaticContact CD2-CZ2 3.93Å; L87-W98 CarbonylContact C-O 3.59Å; L87-W98 VanDerWaalsContact CA-O 3.28Å; L87-W98 WeakPolarHBondContact CA-O 3.44Å; L88-W98 HydrophobicContact CB-CB 4.33Å; L88-W98 PolarHBondContact N-O 2.78Å; L88-W98 VanDerWaalsContact O-CD1 3.3Å; L88-W98 PolarHBondContact O-N 3.48Å; T90-W98 PolarHBondContact OG1-NE1 2.79Å; R96-W98 HydrophobicContact CB-CZ2 4.03Å; R96-W98 VanDerWaalsContact CD-CZ2 3.47Å; R96-W98 HydrophobicContact CG-CZ2 4.34Å; W98-T105 HydrophobicContact CB-CG2 3.86Å; W98-T105 HydrophobicContact CE3-CG2 4.35Å; W98-R106 CarbonylContact C-O 3.41Å; W98-R106 VanDerWaalsContact CA-O 3.3Å; W98-R106 WeakPolarHBondContact CA-O 3.38Å; W98-L107 HydrophobicContact CD2-CD1 4.11Å; W98-L107 HydrophobicContact CE3-CB 3.89Å; W98-L107 HydrophobicContact CE3-CD1 4.11Å; W98-L107 HydrophobicContact CH2-CB 4.43Å; W98-L107 HydrophobicContact CH2-CD1 4.21Å; W98-L107 HydrophobicContact CZ2-CD1 4.19Å; W98-L107 HydrophobicContact CZ3-CB 3.75Å; W98-L107 HydrophobicContact CZ3-CD1 4.17Å |
| 99 | R | 94.9 | Very high | 94 | Very high | 59 Ų | 59 | 40 Ų | 40 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.4 | 167.5 | -178.4 | -177.7 | -63.7 | -99.3 | -3.8 | 108.5 | P85 L87 T105 R106 E108 | P85-R99 VanDerWaalsContact CB-NH1 3.25Å; L87-R99 HydrophobicContact CD2-CB 4.1Å; L87-R99 HydrophobicContact CD2-CG 4.42Å; R99-T105 WeakPolarHBondContact O-CA 3.36Å; R99-R106 HydrophobicContact CB-CG 4.1Å; R99-R106 PolarHBondContact N-O 2.87Å; R99-R106 PolarHBondContact O-N 3.31Å; R99-E108 HydrophobicContact CB-CB 4.17Å; R99-E108 HydrophobicContact CB-CG 4.4Å; R99-E108 WeakPolarHBondContact CB-OE2 3.1Å; R99-E108 IonicContact CZ-OE1 3.87Å; R99-E108 VanDerWaalsContact CZ-OE1 3.3Å; R99-E108 IonicContact CZ-OE2 3.65Å; R99-E108 IonicContact NE-OE1 2.93Å; R99-E108 PolarHBondContact NE-OE1 2.88Å; R99-E108 IonicContact NE-OE2 3.59Å; R99-E108 PolarHBondContact NE-OE2 3.03Å; R99-E108 IonicContact NH2-OE1 3.35Å; R99-E108 PolarHBondContact NH2-OE1 3.35Å |
| 100 | V | 94.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 134.9 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | I49 W76 D86 L88 T105 | I49-V100 HydrophobicContact CD1-CB 4.27Å; I49-V100 HydrophobicContact CD1-CG1 3.54Å; I49-V100 HydrophobicContact CD1-CG2 3.67Å; W76-V100 HydrophobicContact CH2-CB 4.23Å; W76-V100 HydrophobicContact CH2-CG1 4.06Å; W76-V100 HydrophobicContact CH2-CG2 3.86Å; W76-V100 HydrophobicContact CZ3-CB 4Å; W76-V100 HydrophobicContact CZ3-CG1 4.27Å; W76-V100 HydrophobicContact CZ3-CG2 3.73Å; D86-V100 HydrophobicContact CB-CB 4.5Å; D86-V100 PolarHBondContact O-N 3.16Å; L88-V100 HydrophobicContact CB-CG2 3.99Å; V100-T105 HydrophobicContact CG2-CG2 4.14Å |
| 101 | S | 91.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 44 Ų | 44 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | trans | -132.1 | 173.9 | 168.3 | 69.9 | 0 | 0 | 0 | 0 | 109.3 | T103 E104 | S101-T103 PolarHBondContact O-N 2.83Å; S101-T103 PolarHBondContact OG-N 3.14Å; S101-T103 PolarHBondContact OG-OG1 2.83Å; S101-E104 PolarHBondContact N-O 2.81Å; S101-E104 PolarHBondContact OG-N 2.98Å; S101-E104 PolarHBondContact OG-O 2.78Å | ||
| 102 | D | 85.2 | Confident | 93.2 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 73% | 0.727 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -67.7 | -20.5 | 177.9 | -67.6 | -34.9 | 0 | 0 | 0 | 112.7 | K30 | K30-D102 IonicContact NZ-OD1 3.68Å; K30-D102 PolarHBondContact NZ-OD1 3.1Å; K30-D102 IonicContact NZ-OD2 2.66Å; K30-D102 PolarHBondContact NZ-OD2 2.88Å |
| 103 | T | 86.2 | Confident | 92.3 | Very high | 130 Ų | 130 | 48.8 Ų | 48.8 | 80% | 0.798 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -105.6 | -35.8 | -176.8 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | S101 | S101-T103 PolarHBondContact O-N 2.83Å; S101-T103 PolarHBondContact OG-N 3.14Å; S101-T103 PolarHBondContact OG-OG1 2.83Å |
| 104 | E | 90.9 | Very high | 91.3 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | trans | -147.8 | 155.2 | -175.5 | 64.2 | 173.1 | -160.6 | 0 | 0 | 112.4 | S101 | S101-E104 PolarHBondContact N-O 2.81Å; S101-E104 PolarHBondContact OG-N 2.98Å; S101-E104 PolarHBondContact OG-O 2.78Å | ||
| 105 | T | 95.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 57 Ų | 57 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.1 | 164.8 | -66.1 | 0 | 0 | 0 | 0 | 107.5 | N63 F65 W98 R99 V100 | N63-T105 PolarHBondContact ND2-N 3.14Å; N63-T105 VanDerWaalsContact ND2-N 3.17Å; N63-T105 PolarHBondContact ND2-OG1 3.34Å; F65-T105 HydrophobicContact CD1-CG2 3.65Å; F65-T105 HydrophobicContact CE1-CG2 3.63Å; F65-T105 HydrophobicContact CG-CG2 4.14Å; F65-T105 HydrophobicContact CZ-CG2 4.06Å; W98-T105 HydrophobicContact CB-CG2 3.86Å; W98-T105 HydrophobicContact CE3-CG2 4.35Å; R99-T105 WeakPolarHBondContact O-CA 3.36Å; V100-T105 HydrophobicContact CG2-CG2 4.14Å |
| 106 | R | 94.5 | Very high | 88.1 | Confident | 103 Ų | 103 | 64.8 Ų | 64.8 | 39% | 0.389 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.6 | -178.2 | 69.8 | -176.8 | -164.2 | -174.2 | 5.1 | 111.2 | W98 R99 E108 | W98-R106 CarbonylContact C-O 3.41Å; W98-R106 VanDerWaalsContact CA-O 3.3Å; W98-R106 WeakPolarHBondContact CA-O 3.38Å; R99-R106 HydrophobicContact CB-CG 4.1Å; R99-R106 PolarHBondContact N-O 2.87Å; R99-R106 PolarHBondContact O-N 3.31Å; R106-E108 IonicContact CZ-OE2 3.49Å; R106-E108 IonicContact NE-OE2 2.83Å; R106-E108 PolarHBondContact NE-OE2 2.76Å; R106-E108 IonicContact NH2-OE1 3.69Å; R106-E108 PolarHBondContact NH2-OE1 3.25Å; R106-E108 IonicContact NH2-OE2 2.94Å; R106-E108 PolarHBondContact NH2-OE2 2.86Å; R106-E108 PolarHBondContact O-N 3.4Å |
| 107 | L | 95.1 | Very high | 86.5 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 45% | 0.45 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 119.8 | 171.2 | -176.8 | 65.5 | 0 | 0 | 0 | 108.7 | R96 W98 | R96-L107 HydrophobicContact CB-CD1 3.79Å; R96-L107 HydrophobicContact CG-CD1 3.91Å; W98-L107 HydrophobicContact CD2-CD1 4.11Å; W98-L107 HydrophobicContact CE3-CB 3.89Å; W98-L107 HydrophobicContact CE3-CD1 4.11Å; W98-L107 HydrophobicContact CH2-CB 4.43Å; W98-L107 HydrophobicContact CH2-CD1 4.21Å; W98-L107 HydrophobicContact CZ2-CD1 4.19Å; W98-L107 HydrophobicContact CZ3-CB 3.75Å; W98-L107 HydrophobicContact CZ3-CD1 4.17Å |
| 108 | E | 92.4 | Very high | 84.7 | Confident | 19 Ų | 19 | 73.7 Ų | 73.7 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -39.6 | -176.4 | -167.4 | 83.7 | 178.3 | 0 | 0 | 111.1 | I97 R99 R106 V162 | I97-E108 WeakPolarHBondContact O-CA 3.49Å; I97-E108 WeakPolarHBondContact O-CB 3.31Å; I97-E108 PolarHBondContact O-N 2.96Å; R99-E108 HydrophobicContact CB-CB 4.17Å; R99-E108 HydrophobicContact CB-CG 4.4Å; R99-E108 WeakPolarHBondContact CB-OE2 3.1Å; R99-E108 IonicContact CZ-OE1 3.87Å; R99-E108 VanDerWaalsContact CZ-OE1 3.3Å; R99-E108 IonicContact CZ-OE2 3.65Å; R99-E108 IonicContact NE-OE1 2.93Å; R99-E108 PolarHBondContact NE-OE1 2.88Å; R99-E108 IonicContact NE-OE2 3.59Å; R99-E108 PolarHBondContact NE-OE2 3.03Å; R99-E108 IonicContact NH2-OE1 3.35Å; R99-E108 PolarHBondContact NH2-OE1 3.35Å; R106-E108 IonicContact CZ-OE2 3.49Å; R106-E108 IonicContact NE-OE2 2.83Å; R106-E108 PolarHBondContact NE-OE2 2.76Å; R106-E108 IonicContact NH2-OE1 3.69Å; R106-E108 PolarHBondContact NH2-OE1 3.25Å; R106-E108 IonicContact NH2-OE2 2.94Å; R106-E108 PolarHBondContact NH2-OE2 2.86Å; R106-E108 PolarHBondContact O-N 3.4Å; E108-V162 HydrophobicContact CG-CB 3.56Å; E108-V162 HydrophobicContact CG-CG2 3.65Å; E108-V162 PolarHBondContact OE1-N 3.29Å |
| 109 | C | 92.9 | Very high | 83.1 | Confident | 16 Ų | 16 | 81.1 Ų | 81.1 | 11% | 0.108 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 137.4 | 178.4 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | I97 V162 | I97-C109 HydrophobicContact CB-CB 3.97Å; I97-C109 HydrophobicContact CG1-CB 4.16Å; I97-C109 PolarHBondContact N-O 2.87Å; I97-C109 PolarHBondContact O-N 3.42Å; C109-V162 HydrophobicContact CB-CG1 4.42Å; C109-V162 WeakPolarHBondContact CB-O 3.23Å |
| 110 | L | 94.1 | Very high | 82.3 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.2 | 169.5 | -178.7 | 74 | 0 | 0 | 0 | 108 | Y94 R96 | Y94-L110 HydrophobicContact CD2-CD1 4.04Å; Y94-L110 HydrophobicContact CD2-CD2 4.39Å; Y94-L110 HydrophobicContact CG-CD1 4.08Å; R96-L110 HydrophobicContact CG-CD1 3.43Å; R96-L110 VanDerWaalsContact CG-CD1 3.43Å |
| 111 | L | 93.1 | Very high | 81.9 | Confident | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 107 | 179.2 | -64.4 | 175.8 | 0 | 0 | 0 | 109.1 | L95 I97 W148 L150 | L95-L111 HydrophobicContact CB-CB 4.05Å; L95-L111 HydrophobicContact CB-CD1 4.45Å; L95-L111 HydrophobicContact CD2-CB 4.42Å; L95-L111 HydrophobicContact CD2-CD1 3.42Å; L95-L111 VanDerWaalsContact CD2-CD1 3.42Å; L95-L111 HydrophobicContact CG-CB 4.38Å; L95-L111 HydrophobicContact CG-CD1 3.9Å; L95-L111 PolarHBondContact N-O 3.23Å; L95-L111 WeakPolarHBondContact O-CB 3.32Å; L95-L111 PolarHBondContact O-N 2.79Å; I97-L111 HydrophobicContact CG1-CD1 4.4Å; L111-W148 HydrophobicContact CB-CD2 4.03Å; L111-W148 HydrophobicContact CB-CE3 3.77Å; L111-W148 HydrophobicContact CB-CH2 4.02Å; L111-W148 HydrophobicContact CB-CZ2 4.3Å; L111-W148 HydrophobicContact CB-CZ3 3.75Å; L111-W148 HydrophobicContact CD1-CB 3.99Å; L111-W148 HydrophobicContact CD1-CD2 4.01Å; L111-W148 HydrophobicContact CD1-CE3 4.16Å; L111-W148 HydrophobicContact CD1-CG 3.94Å; L111-W148 HydrophobicContact CD2-CE3 3.83Å; L111-W148 HydrophobicContact CD2-CZ3 4.24Å; L111-W148 HydrophobicContact CG-CD2 4.41Å; L111-W148 HydrophobicContact CG-CE3 4.13Å; L111-W148 HydrophobicContact CG-CZ3 4.5Å; L111-L150 HydrophobicContact CD1-CD2 3.9Å; L111-L150 HydrophobicContact CD2-CD2 4.18Å; L111-L150 HydrophobicContact CG-CD2 4.49Å |
| 112 | N | 87.4 | Confident | 81.9 | Confident | 47 Ų | 47 | 81.8 Ų | 81.8 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | trans | -130 | 128.4 | 179.2 | -179.9 | 9.5 | 0 | 0 | 0 | 109.4 | Y94 N114 | Y94-N112 HydrophobicContact CD1-CB 3.82Å; Y94-N112 HydrophobicContact CE1-CB 3.95Å; Y94-N112 WeakPolarHBondContact CE1-ND2 3.21Å; Y94-N112 VanDerWaalsContact CE1-OD1 3.28Å; Y94-N112 WeakPolarHBondContact CE1-OD1 3.44Å; Y94-N112 HydrophobicContact CG-CB 4.48Å; N112-N114 PolarHBondContact ND2-O 2.73Å; N112-N114 PolarHBondContact OD1-N 2.62Å; N112-N114 PolarHBondContact OD1-O 3.36Å | ||
| 113 | N | 75.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 76 Ų | 76 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -86.3 | -22.4 | -179.3 | -167.9 | 12.8 | 0 | 0 | 0 | 111.5 | W148 V166 Q169 | N113-W148 HydrophobicContact CB-CH2 3.89Å; N113-W148 HydrophobicContact CB-CZ2 4.43Å; N113-V166 HydrophobicContact CB-CG2 4.27Å; N113-V166 WeakPolarHBondContact OD1-CG2 3.45Å; N113-Q169 PolarHBondContact ND2-NE2 3.18Å; N113-Q169 PolarHBondContact ND2-OE1 3.32Å |
| 114 | N | 72.1 | Confident | 83 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 25% | 0.251 | 37% | 0.365 | S | S | . | . | trans | -99.9 | 99.3 | -176.9 | -160.1 | -19.1 | 0 | 0 | 0 | 111.6 | N112 N116 S117 F119 | N112-N114 PolarHBondContact ND2-O 2.73Å; N112-N114 PolarHBondContact OD1-N 2.62Å; N112-N114 PolarHBondContact OD1-O 3.36Å; N114-N116 PolarHBondContact OD1-N 2.71Å; N114-N116 VanDerWaalsContact OD1-N 3.16Å; N114-S117 PolarHBondContact ND2-OG 3.16Å; N114-S117 PolarHBondContact OD1-N 3.04Å; N114-S117 PolarHBondContact OD1-OG 3.28Å; N114-F119 PolarHBondContact ND2-O 2.73Å | ||
| 115 | K | 63.8 | Low | 83.3 | Confident | 193 Ų | 193 | 65.8 Ų | 65.8 | 84% | 0.839 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -85.9 | -9.4 | 175.8 | -65.2 | -174.4 | 179.5 | 179.5 | 0 | 113.8 | ||
| 116 | N | 58.5 | Low | 83.4 | Confident | 163 Ų | 163 | 64.8 Ų | 64.8 | 87% | 0.872 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -118.9 | -8.4 | -165.2 | -70.6 | -15.8 | 0 | 0 | 0 | 114.5 | N114 | N114-N116 PolarHBondContact OD1-N 2.71Å; N114-N116 VanDerWaalsContact OD1-N 3.16Å |
| 117 | S | 63.8 | Low | 83.6 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 37% | 0.371 | 32% | 0.319 | S | S | . | . | trans | -139.9 | 149.6 | 170.1 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | N114 F119 | N114-S117 PolarHBondContact ND2-OG 3.16Å; N114-S117 PolarHBondContact OD1-N 3.04Å; N114-S117 PolarHBondContact OD1-OG 3.28Å; S117-F119 PolarHBondContact O-N 3Å; S117-F119 VanDerWaalsContact O-N 3.16Å; S117-F119 PolarHBondContact OG-O 3.16Å; S117-F119 VanDerWaalsContact OG-O 3.09Å | ||
| 118 | D | 60.2 | Low | 83.7 | Confident | 152 Ų | 152 | 56.2 Ų | 56.2 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -70.3 | -6.6 | 178.4 | -59.7 | -40.2 | 0 | 0 | 0 | 113.6 | ||
| 119 | F | 62.9 | Low | 83.9 | Confident | 176 Ų | 176 | 55.3 Ų | 55.3 | 77% | 0.772 | 29% | 0.294 | S | S | * | . | trans | -110 | 125.3 | 179.6 | -64.1 | -83.3 | 0 | 0 | 0 | 111.3 | N114 S117 | N114-F119 PolarHBondContact ND2-O 2.73Å; S117-F119 PolarHBondContact O-N 3Å; S117-F119 VanDerWaalsContact O-N 3.16Å; S117-F119 PolarHBondContact OG-O 3.16Å; S117-F119 VanDerWaalsContact OG-O 3.09Å | ||
| 120 | C | 77.4 | Confident | 84 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | trans | -124.3 | 144.8 | 169.5 | -170.5 | 0 | 0 | 0 | 0 | 108.5 | Y94 | Y94-C120 HydrophobicContact CD1-CB 4.4Å; Y94-C120 HydrophobicContact CE1-CB 3.61Å | ||
| 121 | A | 87.1 | Confident | 84 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 21% | 0.207 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 130.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S140 I141 D142 | A121-S140 WeakPolarHBondContact CB-OG 3.26Å; A121-I141 HydrophobicContact CB-CG1 3.91Å; A121-D142 HydrophobicContact CB-CB 3.65Å |
| 122 | P | 91.4 | Very high | 84 | Confident | 61 Ų | 61 | 58.2 Ų | 58.2 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 144.4 | -178.1 | 26.2 | -35.4 | 0 | 0 | 0 | 111.4 | I141 | P122-I141 HydrophobicContact CG-CD1 3.75Å; P122-I141 HydrophobicContact CG-CG1 4.14Å |
| 123 | L | 96.2 | Very high | 84.2 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 125.8 | 177.3 | -55.1 | -176.9 | 0 | 0 | 0 | 110.1 | T72 G92 L95 T138 S139 | T72-L123 WeakPolarHBondContact CB-O 3.47Å; T72-L123 VanDerWaalsContact CG2-O 3.32Å; T72-L123 WeakPolarHBondContact CG2-O 3.21Å; T72-L123 PolarHBondContact OG1-O 2.96Å; G92-L123 WeakPolarHBondContact O-CB 3.3Å; G92-L123 PolarHBondContact O-N 2.96Å; L95-L123 HydrophobicContact CB-CD1 3.73Å; L123-T138 HydrophobicContact CD1-CG2 3.86Å; L123-S139 CarbonylContact C-O 3.58Å; L123-S139 VanDerWaalsContact CA-O 3.3Å; L123-S139 WeakPolarHBondContact CA-O 3.36Å |
| 124 | T | 97.4 | Very high | 85.1 | Confident | 20 Ų | 20 | 56.1 Ų | 56.1 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -29.2 | -180 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | S139 I141 V177 Y178 | T124-S139 PolarHBondContact N-O 2.8Å; T124-S139 VanDerWaalsContact OG1-C 3.32Å; T124-S139 WeakPolarHBondContact OG1-CB 3.26Å; T124-S139 PolarHBondContact OG1-O 2.86Å; T124-S139 PolarHBondContact OG1-OG 3.44Å; T124-I141 HydrophobicContact CG2-CG2 3.43Å; T124-I141 VanDerWaalsContact CG2-CG2 3.43Å; T124-V177 WeakPolarHBondContact CB-O 3.42Å; T124-V177 VanDerWaalsContact CG2-O 3.3Å; T124-V177 WeakPolarHBondContact CG2-O 3.43Å; T124-V177 PolarHBondContact OG1-O 2.74Å; T124-Y178 HydrophobicContact CG2-CD1 4.3Å |
| 125 | S | 98 | Very high | 86.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 174.3 | 178.3 | -169.2 | 0 | 0 | 0 | 0 | 110.6 | K73 S139 Y178 D179 | K73-S125 WeakPolarHBondContact CD-OG 3.35Å; K73-S125 PolarHBondContact NZ-OG 2.77Å; S125-S139 WeakPolarHBondContact CB-OG 3.46Å; S125-S139 PolarHBondContact N-OG 2.97Å; S125-S139 PolarHBondContact O-N 2.84Å; S125-S139 PolarHBondContact O-OG 2.96Å; S125-Y178 WeakPolarHBondContact CB-O 3.28Å; S125-D179 WeakPolarHBondContact CB-OD1 3.43Å; S125-D179 PolarHBondContact OG-OD1 2.84Å |
| 126 | F | 98.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 165.3 | 165.8 | 78.9 | -83.9 | 0 | 0 | 0 | 111.1 | K73 M75 A89 S91 L95 L136 G137 T138 | K73-F126 HydrophobicContact CB-CD1 3.8Å; K73-F126 HydrophobicContact CB-CE1 3.79Å; K73-F126 WeakPolarHBondContact CD-O 3.4Å; K73-F126 WeakPolarHBondContact CE-O 3.45Å; K73-F126 HydrophobicContact CG-CD1 4.28Å; K73-F126 HydrophobicContact CG-CE1 4.13Å; K73-F126 PolarHBondContact NZ-O 3.5Å; K73-F126 WeakPolarHBondContact O-CE1 3.17Å; M75-F126 HydrophobicContact CB-CE2 3.82Å; M75-F126 HydrophobicContact CB-CZ 3.7Å; M75-F126 HydrophobicContact CG-CE2 3.96Å; M75-F126 HydrophobicContact CG-CZ 3.79Å; M75-F126 HydrophobicContact SD-CD2 4.35Å; M75-F126 HydrophobicContact SD-CE2 3.94Å; M75-F126 HydrophobicContact SD-CZ 4.31Å; A89-F126 HydrophobicContact CB-CE2 3.51Å; A89-F126 HydrophobicContact CB-CZ 3.47Å; A89-F126 VanDerWaalsContact CB-CZ 3.47Å; A89-F126 WeakPolarHBondContact O-CZ 3.42Å; S91-F126 WeakPolarHBondContact OG-CD1 3.45Å; L95-F126 HydrophobicContact CD1-CD1 4.16Å; L95-F126 HydrophobicContact CD1-CD2 4.12Å; L95-F126 HydrophobicContact CD1-CE1 4.37Å; L95-F126 HydrophobicContact CD1-CE2 4.36Å; L95-F126 HydrophobicContact CD1-CG 4.01Å; L95-F126 HydrophobicContact CD1-CZ 4.47Å; F126-L136 HydrophobicContact CD2-CD2 3.98Å; F126-L136 HydrophobicContact CE2-CD2 4.01Å; F126-G137 CarbonylContact C-O 3.56Å; F126-G137 WeakPolarHBondContact CA-O 3.41Å; F126-G137 WeakPolarHBondContact CB-O 3.37Å; F126-T138 HydrophobicContact CB-CG2 3.78Å |
| 127 | D | 98.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.8 | 168.8 | -167.3 | 36.7 | 0 | 0 | 0 | 110.9 | M75 L136 G137 I180 A181 F182 | M75-D127 VanDerWaalsContact CE-OD1 3.3Å; M75-D127 WeakPolarHBondContact CE-OD1 3.29Å; D127-L136 WeakPolarHBondContact O-CA 3.47Å; D127-G137 PolarHBondContact N-O 3.05Å; D127-G137 PolarHBondContact O-N 2.82Å; D127-I180 WeakPolarHBondContact CB-O 3.3Å; D127-A181 HydrophobicContact CB-CB 4.45Å; D127-A181 WeakPolarHBondContact OD2-CA 3.35Å; D127-F182 HydrophobicContact CB-CD2 4.18Å; D127-F182 WeakPolarHBondContact O-CE2 3.48Å; D127-F182 PolarHBondContact OD2-N 3.23Å |
| 128 | W | 97.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.2 | 178.7 | -151.3 | -32.9 | 0 | 0 | 0 | 109.1 | M75 I77 P78 L87 A89 I97 E130 P133 L136 L150 | M75-W128 HydrophobicContact CE-CB 4.17Å; I77-W128 HydrophobicContact CB-CE3 4.44Å; I77-W128 HydrophobicContact CB-CH2 3.74Å; I77-W128 HydrophobicContact CB-CZ2 3.9Å; I77-W128 HydrophobicContact CB-CZ3 4Å; I77-W128 HydrophobicContact CD1-CZ2 4.15Å; I77-W128 HydrophobicContact CG1-CH2 4.2Å; I77-W128 HydrophobicContact CG1-CZ2 3.82Å; P78-W128 VanDerWaalsContact CD-CG 3.45Å; P78-W128 HydrophobicContact CG-CB 4.29Å; P78-W128 HydrophobicContact CG-CG 4.05Å; L87-W128 HydrophobicContact CB-CH2 3.85Å; L87-W128 HydrophobicContact CD1-CH2 4.48Å; A89-W128 HydrophobicContact CB-CE3 3.72Å; A89-W128 HydrophobicContact CB-CH2 4.23Å; A89-W128 HydrophobicContact CB-CZ3 3.39Å; I97-W128 HydrophobicContact CD1-CH2 4.29Å; W128-E130 PolarHBondContact O-N 3Å; W128-E130 VanDerWaalsContact O-N 3.16Å; W128-P133 PolarHBondContact NE1-O 2.88Å; W128-L136 HydrophobicContact CB-CD2 4.32Å; W128-L136 HydrophobicContact CB-CG 4.38Å; W128-L136 HydrophobicContact CD2-CD1 4.27Å; W128-L136 HydrophobicContact CD2-CD2 3.6Å; W128-L136 HydrophobicContact CD2-CG 3.92Å; W128-L136 HydrophobicContact CE3-CD2 3.89Å; W128-L136 HydrophobicContact CG-CD1 4.41Å; W128-L136 HydrophobicContact CG-CD2 3.83Å; W128-L136 HydrophobicContact CG-CG 3.78Å; W128-L136 HydrophobicContact CZ2-CD1 4.12Å; W128-L136 HydrophobicContact CZ2-CD2 4.4Å; W128-L136 HydrophobicContact CZ3-CD2 4.41Å; W128-L150 HydrophobicContact CZ2-CD1 3.81Å |
| 129 | N | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -65.4 | 118.3 | -177.6 | -170.1 | -56.8 | 0 | 0 | 0 | 111.2 | P78 V131 D132 L135 F182 G188 | P78-N129 WeakPolarHBondContact CG-O 3.48Å; N129-V131 VanDerWaalsContact C-N 3.3Å; N129-V131 PolarHBondContact O-N 2.93Å; N129-V131 WeakPolarHBondContact OD1-CA 3.18Å; N129-V131 PolarHBondContact OD1-N 3.07Å; N129-D132 WeakPolarHBondContact CB-O 3.3Å; N129-D132 CarbonylContact O-C 3.56Å; N129-D132 PolarHBondContact OD1-N 2.8Å; N129-L135 HydrophobicContact CB-CB 3.91Å; N129-L135 WeakPolarHBondContact CB-O 3.04Å; N129-L135 PolarHBondContact N-O 2.9Å; N129-F182 HydrophobicContact CB-CD1 4.31Å; N129-F182 HydrophobicContact CB-CD2 3.78Å; N129-F182 HydrophobicContact CB-CE1 4.48Å; N129-F182 HydrophobicContact CB-CE2 3.96Å; N129-F182 HydrophobicContact CB-CG 3.95Å; N129-F182 HydrophobicContact CB-CZ 4.32Å; N129-F182 VanDerWaalsContact ND2-CD1 3.28Å; N129-F182 WeakPolarHBondContact ND2-CD1 3.32Å; N129-G188 PolarHBondContact ND2-O 2.97Å; N129-G188 PolarHBondContact OD1-O 3.04Å | ||
| 130 | E | 93.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 19.4 Ų | 19.4 | 35% | 0.346 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -70.8 | -21.8 | -178.5 | -70.6 | 175.9 | -164.9 | 0 | 0 | 114 | P78 W128 R184 K231 | P78-E130 HydrophobicContact CB-CB 4.36Å; P78-E130 HydrophobicContact CB-CG 4.02Å; W128-E130 PolarHBondContact O-N 3Å; W128-E130 VanDerWaalsContact O-N 3.16Å; E130-R184 IonicContact OE2-NH1 3.61Å; E130-K231 WeakPolarHBondContact OE1-CD 3.41Å; E130-K231 WeakPolarHBondContact OE1-CE 3.22Å; E130-K231 IonicContact OE1-NZ 2.65Å; E130-K231 PolarHBondContact OE1-NZ 2.79Å; E130-K231 IonicContact OE2-NZ 3.43Å |
| 131 | V | 93.7 | Very high | 95.7 | Very high | 64 Ų | 64 | 21 Ų | 21 | 39% | 0.388 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -91.9 | -37.6 | -179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | N129 G187 R189 | N129-V131 VanDerWaalsContact C-N 3.3Å; N129-V131 PolarHBondContact O-N 2.93Å; N129-V131 WeakPolarHBondContact OD1-CA 3.18Å; N129-V131 PolarHBondContact OD1-N 3.07Å; V131-G187 WeakPolarHBondContact CG1-O 3.47Å; V131-R189 HydrophobicContact CB-CG 4.15Å; V131-R189 HydrophobicContact CG1-CG 3.65Å |
| 132 | D | 93.1 | Very high | 96 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | trans | -123.6 | 90.1 | 176.8 | -165.6 | -17.3 | 0 | 0 | 0 | 110.2 | N129 N134 L135 R189 | N129-D132 WeakPolarHBondContact CB-O 3.3Å; N129-D132 CarbonylContact O-C 3.56Å; N129-D132 PolarHBondContact OD1-N 2.8Å; D132-N134 PolarHBondContact O-N 2.99Å; D132-N134 WeakPolarHBondContact OD1-CB 3.43Å; D132-N134 PolarHBondContact OD1-N 2.77Å; D132-L135 HydrophobicContact CB-CD1 4.14Å; D132-L135 HydrophobicContact CB-CG 4.36Å; D132-L135 PolarHBondContact O-N 3.3Å; D132-R189 HydrophobicContact CB-CG 4.36Å; D132-R189 IonicContact OD2-CZ 3.83Å; D132-R189 IonicContact OD2-NE 3.04Å; D132-R189 PolarHBondContact OD2-NE 2.86Å; D132-R189 IonicContact OD2-NH2 2.89Å; D132-R189 PolarHBondContact OD2-NH2 3.01Å | ||
| 133 | P | 92.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 8% | 0.078 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -4.1 | -178.3 | -25.1 | 35.4 | 0 | 0 | 0 | 114.9 | I77 Y84 W128 L135 | I77-P133 HydrophobicContact CD1-CB 4.19Å; I77-P133 HydrophobicContact CG1-CB 4.15Å; Y84-P133 HydrophobicContact CE1-CB 4.35Å; Y84-P133 HydrophobicContact CE2-CB 4.11Å; Y84-P133 HydrophobicContact CE2-CG 3.85Å; W128-P133 PolarHBondContact NE1-O 2.88Å; P133-L135 VanDerWaalsContact C-N 3.31Å |
| 134 | N | 93.1 | Very high | 96.3 | Very high | 48 Ų | 48 | 21.5 Ų | 21.5 | 26% | 0.257 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 1.2 | 170.9 | -66.2 | -38.8 | 0 | 0 | 0 | 113.1 | D132 G149 L150 T152 | D132-N134 PolarHBondContact O-N 2.99Å; D132-N134 WeakPolarHBondContact OD1-CB 3.43Å; D132-N134 PolarHBondContact OD1-N 2.77Å; N134-G149 CarbonylContact O-C 3.56Å; N134-G149 WeakPolarHBondContact O-CA 3.43Å; N134-L150 WeakPolarHBondContact CB-O 3.33Å; N134-L150 VanDerWaalsContact CG-O 3.29Å; N134-L150 PolarHBondContact O-N 2.83Å; N134-L150 PolarHBondContact OD1-O 2.91Å; N134-T152 WeakPolarHBondContact OD1-CB 3.35Å; N134-T152 WeakPolarHBondContact OD1-CG2 3.45Å; N134-T152 PolarHBondContact OD1-OG1 3.19Å |
| 135 | L | 95.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 5% | 0.047 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.9 | 179.6 | -65.6 | 177.6 | 0 | 0 | 0 | 111.6 | N129 D132 P133 W148 K167 | N129-L135 HydrophobicContact CB-CB 3.91Å; N129-L135 WeakPolarHBondContact CB-O 3.04Å; N129-L135 PolarHBondContact N-O 2.9Å; D132-L135 HydrophobicContact CB-CD1 4.14Å; D132-L135 HydrophobicContact CB-CG 4.36Å; D132-L135 PolarHBondContact O-N 3.3Å; P133-L135 VanDerWaalsContact C-N 3.31Å; L135-W148 WeakPolarHBondContact CA-O 3.1Å; L135-K167 HydrophobicContact CD2-CD 3.76Å |
| 136 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.4 | 168 | -64.9 | 94 | 0 | 0 | 0 | 109.7 | A89 L95 I97 F126 D127 W128 I147 W148 L150 | A89-L136 HydrophobicContact CB-CD2 4.09Å; L95-L136 HydrophobicContact CD2-CB 4.23Å; L95-L136 HydrophobicContact CD2-CD2 4.15Å; I97-L136 HydrophobicContact CD1-CD2 4.23Å; F126-L136 HydrophobicContact CD2-CD2 3.98Å; F126-L136 HydrophobicContact CE2-CD2 4.01Å; D127-L136 WeakPolarHBondContact O-CA 3.47Å; W128-L136 HydrophobicContact CB-CD2 4.32Å; W128-L136 HydrophobicContact CB-CG 4.38Å; W128-L136 HydrophobicContact CD2-CD1 4.27Å; W128-L136 HydrophobicContact CD2-CD2 3.6Å; W128-L136 HydrophobicContact CD2-CG 3.92Å; W128-L136 HydrophobicContact CE3-CD2 3.89Å; W128-L136 HydrophobicContact CG-CD1 4.41Å; W128-L136 HydrophobicContact CG-CD2 3.83Å; W128-L136 HydrophobicContact CG-CG 3.78Å; W128-L136 HydrophobicContact CZ2-CD1 4.12Å; W128-L136 HydrophobicContact CZ2-CD2 4.4Å; W128-L136 HydrophobicContact CZ3-CD2 4.41Å; L136-I147 CarbonylContact O-C 3.55Å; L136-I147 WeakPolarHBondContact O-CA 3.5Å; L136-W148 HydrophobicContact CB-CB 4.44Å; L136-W148 PolarHBondContact N-O 3.41Å; L136-W148 VanDerWaalsContact N-O 3.16Å; L136-W148 PolarHBondContact O-N 3.4Å; L136-L150 HydrophobicContact CD1-CD1 3.19Å; L136-L150 HydrophobicContact CD1-CD2 4.47Å; L136-L150 HydrophobicContact CD1-CG 3.49Å; L136-L150 VanDerWaalsContact CD1-CG 3.49Å |
| 137 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F126 D127 T146 I180 | F126-G137 CarbonylContact C-O 3.56Å; F126-G137 WeakPolarHBondContact CA-O 3.41Å; F126-G137 WeakPolarHBondContact CB-O 3.37Å; D127-G137 PolarHBondContact N-O 3.05Å; D127-G137 PolarHBondContact O-N 2.82Å; G137-T146 CarbonylContact C-O 3.56Å; G137-T146 WeakPolarHBondContact CA-O 3.18Å; G137-I180 WeakPolarHBondContact O-CG2 3.25Å |
| 138 | T | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.2 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 110.2 | L95 L123 F126 C145 T146 W148 | L95-T138 HydrophobicContact CB-CG2 4.05Å; L95-T138 HydrophobicContact CD1-CG2 4.47Å; L95-T138 HydrophobicContact CD2-CG2 3.52Å; L95-T138 HydrophobicContact CG-CG2 4.23Å; L123-T138 HydrophobicContact CD1-CG2 3.86Å; F126-T138 HydrophobicContact CB-CG2 3.78Å; T138-C145 CarbonylContact O-C 3.48Å; T138-C145 VanDerWaalsContact O-CA 3.28Å; T138-C145 WeakPolarHBondContact O-CA 3.2Å; T138-T146 PolarHBondContact N-O 3.11Å; T138-T146 PolarHBondContact O-N 3.23Å; T138-T146 PolarHBondContact OG1-O 3.05Å; T138-W148 VanDerWaalsContact CG2-NE1 3.32Å; T138-W148 PolarHBondContact OG1-NE1 2.89Å |
| 139 | S | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151.3 | 170.8 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | L123 T124 S125 | L123-S139 CarbonylContact C-O 3.58Å; L123-S139 VanDerWaalsContact CA-O 3.3Å; L123-S139 WeakPolarHBondContact CA-O 3.36Å; T124-S139 PolarHBondContact N-O 2.8Å; T124-S139 VanDerWaalsContact OG1-C 3.32Å; T124-S139 WeakPolarHBondContact OG1-CB 3.26Å; T124-S139 PolarHBondContact OG1-O 2.86Å; T124-S139 PolarHBondContact OG1-OG 3.44Å; S125-S139 WeakPolarHBondContact CB-OG 3.46Å; S125-S139 PolarHBondContact N-OG 2.97Å; S125-S139 PolarHBondContact O-N 2.84Å; S125-S139 PolarHBondContact O-OG 2.96Å |
| 140 | S | 97.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 156.8 | -175.2 | 174 | 0 | 0 | 0 | 0 | 111.7 | A121 D142 T143 T144 V177 | A121-S140 WeakPolarHBondContact CB-OG 3.26Å; S140-D142 WeakPolarHBondContact CB-OD1 3.36Å; S140-D142 PolarHBondContact O-N 2.82Å; S140-D142 PolarHBondContact OG-N 2.82Å; S140-D142 PolarHBondContact OG-OD1 2.82Å; S140-D142 PolarHBondContact OG-OD2 2.93Å; S140-T143 PolarHBondContact O-N 2.99Å; S140-T144 PolarHBondContact N-O 3.03Å; S140-T144 VanDerWaalsContact N-O 3.14Å; S140-V177 PolarHBondContact O-N 2.88Å; S140-V177 VanDerWaalsContact O-N 3.1Å |
| 141 | I | 96 | Very high | 95.6 | Very high | 75 Ų | 75 | 23.6 Ų | 23.6 | 39% | 0.385 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.2 | 172.3 | 64.6 | 168.5 | 0 | 0 | 0 | 112.4 | A121 P122 T124 T143 E176 | A121-I141 HydrophobicContact CB-CG1 3.91Å; P122-I141 HydrophobicContact CG-CD1 3.75Å; P122-I141 HydrophobicContact CG-CG1 4.14Å; T124-I141 HydrophobicContact CG2-CG2 3.43Å; T124-I141 VanDerWaalsContact CG2-CG2 3.43Å; I141-T143 PolarHBondContact O-N 2.75Å; I141-E176 HydrophobicContact CB-CB 4.43Å; I141-E176 HydrophobicContact CB-CG 3.91Å; I141-E176 HydrophobicContact CG2-CG 4.3Å; I141-E176 WeakPolarHBondContact O-CG 3.36Å |
| 142 | D | 95.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 20.7 Ų | 20.7 | 33% | 0.326 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 18.8 | 177.1 | 67.2 | 12.9 | 0 | 0 | 0 | 114.3 | A121 S140 T144 | A121-D142 HydrophobicContact CB-CB 3.65Å; S140-D142 WeakPolarHBondContact CB-OD1 3.36Å; S140-D142 PolarHBondContact O-N 2.82Å; S140-D142 PolarHBondContact OG-N 2.82Å; S140-D142 PolarHBondContact OG-OD1 2.82Å; S140-D142 PolarHBondContact OG-OD2 2.93Å; D142-T144 PolarHBondContact O-N 2.72Å; D142-T144 VanDerWaalsContact OD1-CB 3.3Å; D142-T144 WeakPolarHBondContact OD1-CB 3.27Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.5Å; D142-T144 PolarHBondContact OD1-N 3.47Å; D142-T144 PolarHBondContact OD1-OG1 2.98Å |
| 143 | T | 96.7 | Very high | 93.4 | Very high | 37 Ų | 37 | 21.1 Ų | 21.1 | 23% | 0.227 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 71.7 | 1.3 | -178.6 | 78.7 | 0 | 0 | 0 | 0 | 115.4 | S140 I141 A172 H173 K175 V177 | S140-T143 PolarHBondContact O-N 2.99Å; I141-T143 PolarHBondContact O-N 2.75Å; T143-A172 PolarHBondContact O-N 3.07Å; T143-H173 WeakPolarHBondContact CB-O 3.18Å; T143-H173 PolarHBondContact O-N 2.85Å; T143-K175 WeakPolarHBondContact CA-O 3.44Å; T143-K175 WeakPolarHBondContact CB-O 3.49Å; T143-K175 WeakPolarHBondContact CG2-O 3.32Å; T143-V177 VanDerWaalsContact C-CG2 3.49Å; T143-V177 WeakPolarHBondContact O-CG2 3.49Å |
| 144 | T | 96.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 8% | 0.08 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 149.7 | -174.1 | 74.8 | 0 | 0 | 0 | 0 | 114.7 | S140 D142 Q169 L170 I171 | S140-T144 PolarHBondContact N-O 3.03Å; S140-T144 VanDerWaalsContact N-O 3.14Å; D142-T144 PolarHBondContact O-N 2.72Å; D142-T144 VanDerWaalsContact OD1-CB 3.3Å; D142-T144 WeakPolarHBondContact OD1-CB 3.27Å; D142-T144 WeakPolarHBondContact OD1-CG2 3.5Å; D142-T144 PolarHBondContact OD1-N 3.47Å; D142-T144 PolarHBondContact OD1-OG1 2.98Å; T144-Q169 HydrophobicContact CG2-CG 4.37Å; T144-Q169 PolarHBondContact OG1-NE2 2.82Å; T144-L170 CarbonylContact C-O 3.58Å; T144-L170 WeakPolarHBondContact CA-O 3.39Å; T144-L170 VanDerWaalsContact CB-O 3.27Å; T144-L170 WeakPolarHBondContact CB-O 3.44Å; T144-I171 HydrophobicContact CG2-CG1 4.37Å |
| 145 | C | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 131.4 | 158.8 | -74.4 | 0 | 0 | 0 | 0 | 108.7 | T138 Q169 L170 A172 I180 F192 | T138-C145 CarbonylContact O-C 3.48Å; T138-C145 VanDerWaalsContact O-CA 3.28Å; T138-C145 WeakPolarHBondContact O-CA 3.2Å; C145-Q169 WeakPolarHBondContact O-CA 3.2Å; C145-L170 HydrophobicContact CB-CG 4.39Å; C145-L170 PolarHBondContact N-O 2.91Å; C145-L170 PolarHBondContact O-N 3.29Å; C145-A172 HydrophobicContact CB-CB 4.02Å; C145-A172 VanDerWaalsContact SG-CB 3.54Å; C145-I180 HydrophobicContact CB-CD1 4.17Å; C145-F192 HydrophobicContact CB-CE2 4.35Å |
| 146 | T | 97.3 | Very high | 87.7 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.8 | 174.9 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | G137 T138 W148 V166 Q169 | G137-T146 CarbonylContact C-O 3.56Å; G137-T146 WeakPolarHBondContact CA-O 3.18Å; T138-T146 PolarHBondContact N-O 3.11Å; T138-T146 PolarHBondContact O-N 3.23Å; T138-T146 PolarHBondContact OG1-O 3.05Å; T146-W148 HydrophobicContact CG2-CD2 4.09Å; T146-W148 HydrophobicContact CG2-CH2 4.25Å; T146-W148 HydrophobicContact CG2-CZ2 3.62Å; T146-V166 HydrophobicContact CG2-CG1 3.91Å; T146-V166 HydrophobicContact CG2-CG2 4.3Å; T146-Q169 HydrophobicContact CG2-CB 4.36Å; T146-Q169 WeakPolarHBondContact OG1-CG 3.19Å |
| 147 | I | 97.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.4 | 176.1 | -50.4 | -64.5 | 0 | 0 | 0 | 108.2 | L136 K167 T168 I180 F182 F192 L206 | L136-I147 CarbonylContact O-C 3.55Å; L136-I147 WeakPolarHBondContact O-CA 3.5Å; I147-K167 HydrophobicContact CG2-CB 4.45Å; I147-K167 HydrophobicContact CG2-CD 4.38Å; I147-K167 WeakPolarHBondContact O-CA 3.3Å; I147-K167 WeakPolarHBondContact O-CB 3.42Å; I147-K167 PolarHBondContact O-N 2.76Å; I147-T168 HydrophobicContact CB-CG2 3.66Å; I147-T168 HydrophobicContact CG1-CG2 3.69Å; I147-T168 PolarHBondContact N-O 3.3Å; I147-T168 PolarHBondContact O-N 3.35Å; I147-I180 HydrophobicContact CD1-CD1 4.25Å; I147-F182 HydrophobicContact CD1-CZ 4.22Å; I147-F192 HydrophobicContact CD1-CD1 4.24Å; I147-F192 HydrophobicContact CD1-CE1 3.99Å; I147-F192 HydrophobicContact CD1-CZ 4.29Å; I147-F192 HydrophobicContact CG1-CE1 4.47Å; I147-L206 HydrophobicContact CB-CD2 4.48Å; I147-L206 HydrophobicContact CD1-CD2 4.17Å; I147-L206 HydrophobicContact CG1-CD2 3.71Å; I147-L206 HydrophobicContact CG2-CD1 4.32Å; I147-L206 HydrophobicContact CG2-CD2 4.32Å |
| 148 | W | 97 | Very high | 83.1 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 3% | 0.034 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.1 | -175.1 | -55.7 | 90.7 | 0 | 0 | 0 | 110 | L95 L111 N113 L135 L136 T138 T146 H165 V166 | L95-W148 HydrophobicContact CD2-CG 4.32Å; L111-W148 HydrophobicContact CB-CD2 4.03Å; L111-W148 HydrophobicContact CB-CE3 3.77Å; L111-W148 HydrophobicContact CB-CH2 4.02Å; L111-W148 HydrophobicContact CB-CZ2 4.3Å; L111-W148 HydrophobicContact CB-CZ3 3.75Å; L111-W148 HydrophobicContact CD1-CB 3.99Å; L111-W148 HydrophobicContact CD1-CD2 4.01Å; L111-W148 HydrophobicContact CD1-CE3 4.16Å; L111-W148 HydrophobicContact CD1-CG 3.94Å; L111-W148 HydrophobicContact CD2-CE3 3.83Å; L111-W148 HydrophobicContact CD2-CZ3 4.24Å; L111-W148 HydrophobicContact CG-CD2 4.41Å; L111-W148 HydrophobicContact CG-CE3 4.13Å; L111-W148 HydrophobicContact CG-CZ3 4.5Å; N113-W148 HydrophobicContact CB-CH2 3.89Å; N113-W148 HydrophobicContact CB-CZ2 4.43Å; L135-W148 WeakPolarHBondContact CA-O 3.1Å; L136-W148 HydrophobicContact CB-CB 4.44Å; L136-W148 PolarHBondContact N-O 3.41Å; L136-W148 VanDerWaalsContact N-O 3.16Å; L136-W148 PolarHBondContact O-N 3.4Å; T138-W148 VanDerWaalsContact CG2-NE1 3.32Å; T138-W148 PolarHBondContact OG1-NE1 2.89Å; T146-W148 HydrophobicContact CG2-CD2 4.09Å; T146-W148 HydrophobicContact CG2-CH2 4.25Å; T146-W148 HydrophobicContact CG2-CZ2 3.62Å; W148-H165 WeakPolarHBondContact CA-O 3.48Å; W148-V166 HydrophobicContact CE3-CG2 3.85Å; W148-V166 HydrophobicContact CH2-CG2 3.77Å; W148-V166 HydrophobicContact CZ3-CB 4.45Å; W148-V166 HydrophobicContact CZ3-CG2 3.32Å |
| 149 | G | 94.9 | Very high | 81 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | N134 G164 H165 | N134-G149 CarbonylContact O-C 3.56Å; N134-G149 WeakPolarHBondContact O-CA 3.43Å; G149-G164 CarbonylContact O-C 3.59Å; G149-G164 WeakPolarHBondContact O-CA 3.38Å; G149-H165 PolarHBondContact N-O 2.79Å; G149-H165 PolarHBondContact O-N 3.15Å; G149-H165 PolarHBondContact O-ND1 3.39Å |
| 150 | L | 92.9 | Very high | 79.3 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 140.9 | 171 | -70.5 | -171.1 | 0 | 0 | 0 | 111.1 | I97 L111 W128 N134 L136 T152 V162 S163 | I97-L150 HydrophobicContact CD1-CD1 4.12Å; I97-L150 HydrophobicContact CG1-CD1 4.19Å; I97-L150 HydrophobicContact CG1-CD2 4.26Å; L111-L150 HydrophobicContact CD1-CD2 3.9Å; L111-L150 HydrophobicContact CD2-CD2 4.18Å; L111-L150 HydrophobicContact CG-CD2 4.49Å; W128-L150 HydrophobicContact CZ2-CD1 3.81Å; N134-L150 WeakPolarHBondContact CB-O 3.33Å; N134-L150 VanDerWaalsContact CG-O 3.29Å; N134-L150 PolarHBondContact O-N 2.83Å; N134-L150 PolarHBondContact OD1-O 2.91Å; L136-L150 HydrophobicContact CD1-CD1 3.19Å; L136-L150 HydrophobicContact CD1-CD2 4.47Å; L136-L150 HydrophobicContact CD1-CG 3.49Å; L136-L150 VanDerWaalsContact CD1-CG 3.49Å; L150-T152 HydrophobicContact CB-CG2 3.77Å; L150-T152 HydrophobicContact CD1-CG2 4.03Å; L150-V162 HydrophobicContact CD2-CG1 4.37Å; L150-S163 WeakPolarHBondContact CA-O 3.03Å |
| 151 | E | 88.9 | Confident | 78.2 | Confident | 120 Ų | 120 | 67.4 Ų | 67.4 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 80 | 165.6 | -63.5 | 178.9 | 166.3 | 0 | 0 | 107.9 | G153 S163 | E151-G153 PolarHBondContact O-N 3.26Å; E151-S163 PolarHBondContact N-O 3.2Å; E151-S163 PolarHBondContact OE2-OG 3.34Å |
| 152 | T | 75.7 | Confident | 77.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 36% | 0.356 | C | S | . | . | trans | -70.9 | 2.3 | -173.7 | 57.3 | 0 | 0 | 0 | 0 | 114.6 | Y84 L87 N134 L150 | Y84-T152 VanDerWaalsContact CD1-OG1 3.23Å; Y84-T152 WeakPolarHBondContact CD1-OG1 3.31Å; Y84-T152 WeakPolarHBondContact CE1-OG1 3.12Å; L87-T152 HydrophobicContact CD1-CG2 4.11Å; N134-T152 WeakPolarHBondContact OD1-CB 3.35Å; N134-T152 WeakPolarHBondContact OD1-CG2 3.45Å; N134-T152 PolarHBondContact OD1-OG1 3.19Å; L150-T152 HydrophobicContact CB-CG2 3.77Å; L150-T152 HydrophobicContact CD1-CG2 4.03Å | ||
| 153 | G | 65.2 | Low | 77.4 | Confident | 34 Ų | 34 | 63.3 Ų | 63.3 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | trans | 64.5 | 62.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E151 | E151-G153 PolarHBondContact O-N 3.26Š| ||
| 154 | Q | 60.6 | Low | 77.1 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 48% | 0.481 | 36% | 0.358 | S | S | . | . | trans | -66.1 | 145.6 | 179.2 | -84.3 | -158.5 | -32.7 | 0 | 0 | 114 | Y84 | Y84-Q154 HydrophobicContact CD1-CG 3.7Å; Y84-Q154 HydrophobicContact CE1-CG 3.3Å; Y84-Q154 VanDerWaalsContact CE1-NE2 3.3Å; Y84-Q154 PolarHBondContact OH-NE2 3.13Å | ||
| 155 | V | 50.5 | Low | 76.9 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 67% | 0.673 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 89.3 | 109.7 | -179.5 | -166.5 | 0 | 0 | 0 | 0 | 114.2 | G157 R158 | V155-G157 PolarHBondContact O-N 3.23Å; V155-R158 PolarHBondContact O-N 3.38Å |
| 156 | L | 49.4 | Very low | 76.8 | Confident | 171 Ų | 171 | 69.2 Ų | 69.2 | 90% | 0.895 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -27.8 | 105.2 | 157.6 | -79.6 | 154.2 | 0 | 0 | 0 | 110.8 | ||
| 157 | G | 50.1 | Low | 76.6 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 78% | 0.784 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.4 | -4.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | V155 | V155-G157 PolarHBondContact O-N 3.23Š|
| 158 | R | 50 | Low | 76.5 | Confident | 206 Ų | 206 | 75.7 Ų | 75.7 | 78% | 0.777 | 42% | 0.421 | S | S | * | . | trans | -113 | 126.9 | 169.7 | -74.5 | -172.7 | 177.1 | -167.2 | -0.1 | 112.2 | V155 N160 | V155-R158 PolarHBondContact O-N 3.38Å; R158-N160 PolarHBondContact O-N 2.77Å | ||
| 159 | V | 52.9 | Low | 76.4 | Confident | 143 Ų | 143 | 79.2 Ų | 79.2 | 87% | 0.867 | 44% | 0.438 | S | S | * | . | trans | -84.8 | 24.6 | -171 | -158.3 | 0 | 0 | 0 | 0 | 112.3 | L161 | V159-L161 PolarHBondContact O-N 3.45Š| ||
| 160 | N | 64.1 | Low | 76.4 | Confident | 116 Ų | 116 | 80 Ų | 80 | 62% | 0.62 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 130.3 | -178.6 | -70 | -0.6 | 0 | 0 | 0 | 109.1 | R158 | R158-N160 PolarHBondContact O-N 2.77Š|
| 161 | L | 74.3 | Confident | 76.6 | Confident | 120 Ų | 120 | 85.5 Ų | 85.5 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 142.5 | 171.2 | -71.7 | 161.9 | 0 | 0 | 0 | 109.1 | V159 S163 | V159-L161 PolarHBondContact O-N 3.45Å; L161-S163 PolarHBondContact O-N 3.25Å |
| 162 | V | 84.4 | Confident | 76.9 | Confident | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.024 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 123 | 172.2 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | L87 E108 C109 L150 | L87-V162 HydrophobicContact CD1-CG2 3.98Å; L87-V162 HydrophobicContact CD2-CG2 4.19Å; E108-V162 HydrophobicContact CG-CB 3.56Å; E108-V162 HydrophobicContact CG-CG2 3.65Å; E108-V162 PolarHBondContact OE1-N 3.29Å; C109-V162 HydrophobicContact CB-CG1 4.42Å; C109-V162 WeakPolarHBondContact CB-O 3.23Å; L150-V162 HydrophobicContact CD2-CG1 4.37Å |
| 163 | S | 88.2 | Confident | 78 | Confident | 45 Ų | 45 | 79.8 Ų | 79.8 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 160.2 | 173.5 | 92.8 | 0 | 0 | 0 | 0 | 109 | L150 E151 L161 | L150-S163 WeakPolarHBondContact CA-O 3.03Å; E151-S163 PolarHBondContact N-O 3.2Å; E151-S163 PolarHBondContact OE2-OG 3.34Å; L161-S163 PolarHBondContact O-N 3.25Å |
| 164 | G | 91.3 | Very high | 79.4 | Confident | 28 Ų | 28 | 84.1 Ų | 84.1 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 160.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G149 | G149-G164 CarbonylContact O-C 3.59Å; G149-G164 WeakPolarHBondContact O-CA 3.38Å |
| 165 | H | 92.4 | Very high | 81.2 | Confident | 94 Ų | 94 | 84.4 Ų | 84.4 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 156.3 | -174.8 | 60.2 | -83.8 | 0 | 0 | 0 | 110.2 | W148 G149 K167 | W148-H165 WeakPolarHBondContact CA-O 3.48Å; G149-H165 PolarHBondContact N-O 2.79Å; G149-H165 PolarHBondContact O-N 3.15Å; G149-H165 PolarHBondContact O-ND1 3.39Å; H165-K167 PolarHBondContact O-N 2.98Å |
| 166 | V | 94.8 | Very high | 83.5 | Confident | 52 Ų | 52 | 82.8 Ų | 82.8 | 32% | 0.315 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 116.8 | 170.6 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | N113 T146 W148 | N113-V166 HydrophobicContact CB-CG2 4.27Å; N113-V166 WeakPolarHBondContact OD1-CG2 3.45Å; T146-V166 HydrophobicContact CG2-CG1 3.91Å; T146-V166 HydrophobicContact CG2-CG2 4.3Å; W148-V166 HydrophobicContact CE3-CG2 3.85Å; W148-V166 HydrophobicContact CH2-CG2 3.77Å; W148-V166 HydrophobicContact CZ3-CB 4.45Å; W148-V166 HydrophobicContact CZ3-CG2 3.32Å |
| 167 | K | 94.6 | Very high | 85.8 | Confident | 106 Ų | 106 | 74.7 Ų | 74.7 | 46% | 0.461 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -43.5 | 173.1 | -178.8 | 175.6 | 177.8 | 175.8 | 0 | 110.2 | L135 I147 H165 | L135-K167 HydrophobicContact CD2-CD 3.76Å; I147-K167 HydrophobicContact CG2-CB 4.45Å; I147-K167 HydrophobicContact CG2-CD 4.38Å; I147-K167 WeakPolarHBondContact O-CA 3.3Å; I147-K167 WeakPolarHBondContact O-CB 3.42Å; I147-K167 PolarHBondContact O-N 2.76Å; H165-K167 PolarHBondContact O-N 2.98Å |
| 168 | T | 94.6 | Very high | 88.1 | Confident | 37 Ų | 37 | 73.6 Ų | 73.6 | 23% | 0.227 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 155.3 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 110 | I147 L206 L209 | I147-T168 HydrophobicContact CB-CG2 3.66Å; I147-T168 HydrophobicContact CG1-CG2 3.69Å; I147-T168 PolarHBondContact N-O 3.3Å; I147-T168 PolarHBondContact O-N 3.35Å; T168-L206 HydrophobicContact CG2-CD2 4.43Å; T168-L209 HydrophobicContact CG2-CD1 3.71Å |
| 169 | Q | 94.7 | Very high | 90.4 | Very high | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137 | 169.1 | -178.8 | -177.1 | 23.7 | 0 | 0 | 107.7 | N113 T144 C145 T146 | N113-Q169 PolarHBondContact ND2-NE2 3.18Å; N113-Q169 PolarHBondContact ND2-OE1 3.32Å; T144-Q169 HydrophobicContact CG2-CG 4.37Å; T144-Q169 PolarHBondContact OG1-NE2 2.82Å; C145-Q169 WeakPolarHBondContact O-CA 3.2Å; T146-Q169 HydrophobicContact CG2-CB 4.36Å; T146-Q169 WeakPolarHBondContact OG1-CG 3.19Å |
| 170 | L | 95.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.6 | 178.4 | 61.1 | 126.3 | 0 | 0 | 0 | 111.1 | T144 C145 A172 F192 F204 L209 | T144-L170 CarbonylContact C-O 3.58Å; T144-L170 WeakPolarHBondContact CA-O 3.39Å; T144-L170 VanDerWaalsContact CB-O 3.27Å; T144-L170 WeakPolarHBondContact CB-O 3.44Å; C145-L170 HydrophobicContact CB-CG 4.39Å; C145-L170 PolarHBondContact N-O 2.91Å; C145-L170 PolarHBondContact O-N 3.29Å; L170-A172 HydrophobicContact CD1-CB 4.09Å; L170-A172 PolarHBondContact O-N 3.22Å; L170-F192 HydrophobicContact CD2-CZ 4.14Å; L170-F204 HydrophobicContact CD1-CD1 3.53Å; L170-F204 HydrophobicContact CD1-CE1 3.33Å; L170-F204 HydrophobicContact CD1-CG 4.45Å; L170-F204 HydrophobicContact CD1-CZ 4.15Å; L170-L209 HydrophobicContact CD2-CD1 4.46Å; L170-L209 HydrophobicContact CD2-CD2 3.95Å |
| 171 | I | 95.9 | Very high | 94.2 | Very high | 122 Ų | 122 | 52 Ų | 52 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 111.3 | 164.6 | -61.1 | 171.8 | 0 | 0 | 0 | 106.3 | T144 H173 | T144-I171 HydrophobicContact CG2-CG1 4.37Å; I171-H173 WeakPolarHBondContact CG2-O 3.27Å |
| 172 | A | 97 | Very high | 95.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | trans | -89.9 | -39.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T143 C145 L170 V177 R202 F204 | T143-A172 PolarHBondContact O-N 3.07Å; C145-A172 HydrophobicContact CB-CB 4.02Å; C145-A172 VanDerWaalsContact SG-CB 3.54Å; L170-A172 HydrophobicContact CD1-CB 4.09Å; L170-A172 PolarHBondContact O-N 3.22Å; A172-V177 HydrophobicContact CB-CG2 4.11Å; A172-R202 WeakPolarHBondContact O-CD 3.4Å; A172-R202 PolarHBondContact O-NH1 3.35Å; A172-F204 HydrophobicContact CB-CE1 4.35Å; A172-F204 HydrophobicContact CB-CE2 4.4Å; A172-F204 HydrophobicContact CB-CZ 3.76Å | ||
| 173 | H | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -130.4 | 167.7 | -176.1 | -71.6 | -97.5 | 0 | 0 | 0 | 111.1 | T143 I171 K175 V177 S194 D198 S200 | T143-H173 WeakPolarHBondContact CB-O 3.18Å; T143-H173 PolarHBondContact O-N 2.85Å; I171-H173 WeakPolarHBondContact CG2-O 3.27Å; H173-K175 VanDerWaalsContact C-N 3.25Å; H173-K175 WeakPolarHBondContact CB-O 3.24Å; H173-V177 HydrophobicContact CB-CG2 4.16Å; H173-S194 PolarHBondContact CD2-OG 2.76Å; H173-S194 PolarHBondContact NE2-O 2.84Å; H173-S194 PolarHBondContact NE2-OG 2.92Å; H173-D198 WeakPolarHBondContact CB-OD2 3.34Å; H173-D198 IonicContact CE1-OD1 2.55Å; H173-D198 IonicContact CG-OD1 3.44Å; H173-D198 IonicContact CG-OD2 2.79Å; H173-D198 VanDerWaalsContact ND1-CG 3.28Å; H173-D198 IonicContact ND1-OD1 3.62Å; H173-D198 PolarHBondContact ND1-OD1 3.16Å; H173-D198 IonicContact ND1-OD2 3.43Å; H173-D198 PolarHBondContact ND1-OD2 3.34Å; H173-S200 PolarHBondContact CE1-O 3.23Å; H173-S200 PolarHBondContact CE1-OG 2.9Å; H173-S200 VanDerWaalsContact CE1-OG 3.3Å; H173-S200 PolarHBondContact ND1-OG 2.96Å | ||
| 174 | D | 95.5 | Very high | 96.1 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 67% | 0.668 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -86.3 | -2.7 | 176.4 | -54.1 | -53 | 0 | 0 | 0 | 112.3 | R202 | D174-R202 IonicContact OD2-CZ 2.91Å; D174-R202 IonicContact OD2-NH1 3.7Å; D174-R202 IonicContact OD2-NH2 3.68Å; D174-R202 PolarHBondContact OD2-NH2 2.96Å |
| 175 | K | 97.8 | Very high | 95.9 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 47% | 0.474 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -142.7 | -175.1 | 176.5 | -64 | -174.1 | -180 | 174 | 0 | 110 | T143 H173 V177 A197 D198 | T143-K175 WeakPolarHBondContact CA-O 3.44Å; T143-K175 WeakPolarHBondContact CB-O 3.49Å; T143-K175 WeakPolarHBondContact CG2-O 3.32Å; H173-K175 VanDerWaalsContact C-N 3.25Å; H173-K175 WeakPolarHBondContact CB-O 3.24Å; K175-V177 PolarHBondContact O-N 2.97Å; K175-A197 HydrophobicContact CB-CB 3.82Å; K175-A197 HydrophobicContact CD-CB 4.13Å; K175-A197 WeakPolarHBondContact CD-O 3.28Å; K175-D198 HydrophobicContact CB-CB 4.44Å; K175-D198 HydrophobicContact CD-CB 4.49Å; K175-D198 HydrophobicContact CG-CB 4.46Å |
| 176 | E | 98.1 | Very high | 95.3 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | trans | -48.9 | 135.2 | 179.7 | -62 | 78 | -178.8 | 0 | 0 | 111.8 | I141 Y178 G196 A197 | I141-E176 HydrophobicContact CB-CB 4.43Å; I141-E176 HydrophobicContact CB-CG 3.91Å; I141-E176 HydrophobicContact CG2-CG 4.3Å; I141-E176 WeakPolarHBondContact O-CG 3.36Å; E176-Y178 HydrophobicContact CB-CD1 4.48Å; E176-Y178 HydrophobicContact CB-CE1 3.86Å; E176-G196 CarbonylContact O-C 3.47Å; E176-G196 WeakPolarHBondContact O-CA 3.47Å; E176-A197 HydrophobicContact CB-CB 4.19Å; E176-A197 PolarHBondContact O-N 3.42Å; E176-A197 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 177 | V | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.5 | 173.1 | -167.5 | 0 | 0 | 0 | 0 | 107.9 | T124 S140 T143 A172 H173 K175 V195 | T124-V177 WeakPolarHBondContact CB-O 3.42Å; T124-V177 VanDerWaalsContact CG2-O 3.3Å; T124-V177 WeakPolarHBondContact CG2-O 3.43Å; T124-V177 PolarHBondContact OG1-O 2.74Å; S140-V177 PolarHBondContact O-N 2.88Å; S140-V177 VanDerWaalsContact O-N 3.1Å; T143-V177 VanDerWaalsContact C-CG2 3.49Å; T143-V177 WeakPolarHBondContact O-CG2 3.49Å; A172-V177 HydrophobicContact CB-CG2 4.11Å; H173-V177 HydrophobicContact CB-CG2 4.16Å; K175-V177 PolarHBondContact O-N 2.97Å; V177-V195 VanDerWaalsContact CG1-O 3.31Å; V177-V195 WeakPolarHBondContact CG1-O 3.44Å |
| 178 | Y | 98.5 | Very high | 94.3 | Very high | 53 Ų | 53 | 43.6 Ų | 43.6 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -29 | -175.3 | -67.6 | -44.6 | 0 | 0 | 0 | 114.6 | T124 S125 E176 V195 A197 P223 L224 L225 R226 | T124-Y178 HydrophobicContact CG2-CD1 4.3Å; S125-Y178 WeakPolarHBondContact CB-O 3.28Å; E176-Y178 HydrophobicContact CB-CD1 4.48Å; E176-Y178 HydrophobicContact CB-CE1 3.86Å; Y178-V195 PolarHBondContact N-O 2.82Å; Y178-A197 HydrophobicContact CE2-CB 3.58Å; Y178-P223 HydrophobicContact CE2-CB 3.99Å; Y178-L224 WeakPolarHBondContact CD2-O 3.39Å; Y178-L225 HydrophobicContact CD2-CD2 3.79Å; Y178-L225 HydrophobicContact CE2-CD2 4.12Å; Y178-L225 HydrophobicContact CG-CD2 4.09Å; Y178-R226 PolarHBondContact O-NH1 2.88Å; Y178-R226 VanDerWaalsContact O-NH1 3.13Å |
| 179 | D | 98.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 157 | 176.4 | -155 | 8.9 | 0 | 0 | 0 | 111.9 | K73 S125 S194 V195 R226 L227 | K73-D179 IonicContact NZ-OD1 3.65Å; S125-D179 WeakPolarHBondContact CB-OD1 3.43Å; S125-D179 PolarHBondContact OG-OD1 2.84Å; D179-S194 WeakPolarHBondContact O-CA 3.43Å; D179-S194 WeakPolarHBondContact O-CB 3.26Å; D179-V195 HydrophobicContact CB-CG2 3.68Å; D179-V195 PolarHBondContact N-O 3.5Å; D179-V195 PolarHBondContact O-N 2.8Å; D179-R226 WeakPolarHBondContact OD2-CA 3.46Å; D179-R226 VanDerWaalsContact OD2-CD 3.24Å; D179-R226 WeakPolarHBondContact OD2-CD 3.48Å; D179-L227 PolarHBondContact OD2-N 3.1Å; D179-L227 VanDerWaalsContact OD2-N 3.09Å |
| 180 | I | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.2 | 176.3 | -177.4 | 170.5 | 0 | 0 | 0 | 107.9 | D127 G137 C145 I147 F192 A193 | D127-I180 WeakPolarHBondContact CB-O 3.3Å; G137-I180 WeakPolarHBondContact O-CG2 3.25Å; C145-I180 HydrophobicContact CB-CD1 4.17Å; I147-I180 HydrophobicContact CD1-CD1 4.25Å; I180-F192 HydrophobicContact CD1-CD2 3.6Å; I180-F192 HydrophobicContact CD1-CE2 3.8Å; I180-F192 HydrophobicContact CD1-CG 4.28Å; I180-F192 HydrophobicContact CG1-CD2 3.72Å; I180-F192 HydrophobicContact CG1-CE2 4.3Å; I180-F192 HydrophobicContact CG1-CG 4.44Å; I180-A193 CarbonylContact C-O 3.57Å; I180-A193 WeakPolarHBondContact CA-O 3.47Å |
| 181 | A | 98.4 | Very high | 94 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 6% | 0.058 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 136.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D127 F192 A193 L227 W229 | D127-A181 HydrophobicContact CB-CB 4.45Å; D127-A181 WeakPolarHBondContact OD2-CA 3.35Å; A181-F192 WeakPolarHBondContact O-CA 3.38Å; A181-F192 WeakPolarHBondContact O-CB 3.36Å; A181-A193 PolarHBondContact N-O 2.86Å; A181-A193 PolarHBondContact O-N 2.9Å; A181-L227 HydrophobicContact CB-CD1 3.39Å; A181-L227 HydrophobicContact CB-CG 4.29Å; A181-W229 PolarHBondContact O-NE1 3.21Å |
| 182 | F | 97.9 | Very high | 94.1 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133 | 173 | -73.8 | -76.4 | 0 | 0 | 0 | 110.5 | D127 N129 I147 F192 L206 | D127-F182 HydrophobicContact CB-CD2 4.18Å; D127-F182 WeakPolarHBondContact O-CE2 3.48Å; D127-F182 PolarHBondContact OD2-N 3.23Å; N129-F182 HydrophobicContact CB-CD1 4.31Å; N129-F182 HydrophobicContact CB-CD2 3.78Å; N129-F182 HydrophobicContact CB-CE1 4.48Å; N129-F182 HydrophobicContact CB-CE2 3.96Å; N129-F182 HydrophobicContact CB-CG 3.95Å; N129-F182 HydrophobicContact CB-CZ 4.32Å; N129-F182 VanDerWaalsContact ND2-CD1 3.28Å; N129-F182 WeakPolarHBondContact ND2-CD1 3.32Å; I147-F182 HydrophobicContact CD1-CZ 4.22Å; F182-F192 HydrophobicContact CD1-CB 3.84Å; F182-F192 HydrophobicContact CE1-CB 4.24Å; F182-F192 HydrophobicContact CG-CB 4.37Å; F182-L206 HydrophobicContact CE1-CD1 4.4Å |
| 183 | S | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | trans | -84.6 | 149.8 | 171.6 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | A185 G188 M191 | S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 VanDerWaalsContact OG-CB 3.24Å; S183-A185 WeakPolarHBondContact OG-CB 3.39Å; S183-A185 PolarHBondContact OG-N 3.38Å; S183-G188 WeakPolarHBondContact O-CA 3.49Å; S183-M191 PolarHBondContact N-O 2.79Å | ||
| 184 | R | 92.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 40.3 Ų | 40.3 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | trans | -87.4 | -2 | 166.4 | -66.8 | -178.5 | 65.4 | 167.4 | -8.2 | 112.8 | E130 G188 P234 | E130-R184 IonicContact OE2-NH1 3.61Å; R184-G188 PolarHBondContact O-N 3.07Å; R184-P234 HydrophobicContact CB-CB 4.2Å | ||
| 185 | A | 86.7 | Confident | 94.3 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 22% | 0.215 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -60.6 | 150.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S183 G187 G188 P234 | S183-A185 VanDerWaalsContact C-N 3.3Å; S183-A185 VanDerWaalsContact OG-CB 3.24Å; S183-A185 WeakPolarHBondContact OG-CB 3.39Å; S183-A185 PolarHBondContact OG-N 3.38Å; A185-G187 PolarHBondContact O-N 2.92Å; A185-G187 VanDerWaalsContact O-N 3.15Å; A185-G188 PolarHBondContact O-N 2.75Å; A185-P234 HydrophobicContact CB-CB 4.27Å |
| 186 | G | 80.9 | Confident | 94.4 | Very high | 69 Ų | 69 | 29.2 Ų | 29.2 | 71% | 0.711 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | 60.9 | 25.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 187 | G | 84.1 | Confident | 94.4 | Very high | 55 Ų | 55 | 25.8 Ų | 25.8 | 57% | 0.567 | 15% | 0.15 | S | C | * | . | G | 310 helix | trans | 91.1 | -2.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V131 A185 R189 | V131-G187 WeakPolarHBondContact CG1-O 3.47Å; A185-G187 PolarHBondContact O-N 2.92Å; A185-G187 VanDerWaalsContact O-N 3.15Å; G187-R189 VanDerWaalsContact C-N 3.31Å; G187-R189 PolarHBondContact O-N 2.97Å |
| 188 | G | 84.8 | Confident | 94.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 76 | 3.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | N129 S183 R184 A185 | N129-G188 PolarHBondContact ND2-O 2.97Å; N129-G188 PolarHBondContact OD1-O 3.04Å; S183-G188 WeakPolarHBondContact O-CA 3.49Å; R184-G188 PolarHBondContact O-N 3.07Å; A185-G188 PolarHBondContact O-N 2.75Å |
| 189 | R | 88.6 | Confident | 94.3 | Very high | 129 Ų | 129 | 24.2 Ų | 24.2 | 49% | 0.487 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -92.5 | -30.7 | -179 | -61.9 | -177.5 | 73.7 | -178.7 | 3.7 | 113.4 | V131 D132 G187 | V131-R189 HydrophobicContact CB-CG 4.15Å; V131-R189 HydrophobicContact CG1-CG 3.65Å; D132-R189 HydrophobicContact CB-CG 4.36Å; D132-R189 IonicContact OD2-CZ 3.83Å; D132-R189 IonicContact OD2-NE 3.04Å; D132-R189 PolarHBondContact OD2-NE 2.86Å; D132-R189 IonicContact OD2-NH2 2.89Å; D132-R189 PolarHBondContact OD2-NH2 3.01Å; G187-R189 VanDerWaalsContact C-N 3.31Å; G187-R189 PolarHBondContact O-N 2.97Å |
| 190 | D | 93 | Very high | 94.3 | Very high | 39 Ų | 39 | 24.1 Ų | 24.1 | 21% | 0.209 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -115.7 | -8.4 | -164.8 | -57.7 | -47.2 | 0 | 0 | 0 | 113.7 | D205 L206 R207 | D190-D205 CarbonylContact O-C 3.58Å; D190-D205 WeakPolarHBondContact O-CA 3.46Å; D190-L206 HydrophobicContact CB-CB 4.28Å; D190-L206 WeakPolarHBondContact O-CB 3.33Å; D190-L206 WeakPolarHBondContact O-CG 3.32Å; D190-L206 PolarHBondContact O-N 3.01Å; D190-R207 HydrophobicContact CB-CG 4.15Å; D190-R207 WeakPolarHBondContact OD2-CD 3.44Å; D190-R207 IonicContact OD2-CZ 3.3Å; D190-R207 IonicContact OD2-NE 2.84Å; D190-R207 IonicContact OD2-NH1 3.34Å |
| 191 | M | 95.3 | Very high | 94.3 | Very high | 29 Ų | 29 | 24.1 Ų | 24.1 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.1 | -174.1 | -60.5 | -60.1 | -61.2 | 0 | 0 | 111.4 | S183 M203 F204 D205 | S183-M191 PolarHBondContact N-O 2.79Å; M191-M203 HydrophobicContact CE-CE 4.17Å; M191-M203 HydrophobicContact CE-CG 3.86Å; M191-M203 HydrophobicContact CE-SD 4.01Å; M191-F204 WeakPolarHBondContact CA-O 3.37Å; M191-F204 WeakPolarHBondContact CE-O 3.48Å; M191-D205 HydrophobicContact CE-CB 4.13Å; M191-D205 HydrophobicContact SD-CB 3.46Å; M191-D205 WeakPolarHBondContact SD-CB 3.33Å; M191-D205 VanDerWaalsContact SD-CG 3.54Å |
| 192 | F | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 163.2 | 169.7 | 71.4 | -88.4 | 0 | 0 | 0 | 110.9 | C145 I147 L170 I180 A181 F182 M203 F204 L206 | C145-F192 HydrophobicContact CB-CE2 4.35Å; I147-F192 HydrophobicContact CD1-CD1 4.24Å; I147-F192 HydrophobicContact CD1-CE1 3.99Å; I147-F192 HydrophobicContact CD1-CZ 4.29Å; I147-F192 HydrophobicContact CG1-CE1 4.47Å; L170-F192 HydrophobicContact CD2-CZ 4.14Å; I180-F192 HydrophobicContact CD1-CD2 3.6Å; I180-F192 HydrophobicContact CD1-CE2 3.8Å; I180-F192 HydrophobicContact CD1-CG 4.28Å; I180-F192 HydrophobicContact CG1-CD2 3.72Å; I180-F192 HydrophobicContact CG1-CE2 4.3Å; I180-F192 HydrophobicContact CG1-CG 4.44Å; A181-F192 WeakPolarHBondContact O-CA 3.38Å; A181-F192 WeakPolarHBondContact O-CB 3.36Å; F182-F192 HydrophobicContact CD1-CB 3.84Å; F182-F192 HydrophobicContact CE1-CB 4.24Å; F182-F192 HydrophobicContact CG-CB 4.37Å; F192-M203 WeakPolarHBondContact O-CA 3.09Å; F192-F204 HydrophobicContact CD1-CB 3.98Å; F192-F204 HydrophobicContact CD2-CB 4.31Å; F192-F204 AromaticContact CD2-CD2 3.94Å; F192-F204 HydrophobicContact CD2-CD2 3.94Å; F192-F204 HydrophobicContact CD2-CG 4.43Å; F192-F204 HydrophobicContact CE1-CB 3.44Å; F192-F204 VanDerWaalsContact CE1-CB 3.44Å; F192-F204 HydrophobicContact CE1-CG 4.12Å; F192-F204 HydrophobicContact CE2-CB 3.84Å; F192-F204 AromaticContact CE2-CD2 3.37Å; F192-F204 HydrophobicContact CE2-CD2 3.37Å; F192-F204 HydrophobicContact CE2-CE2 4.07Å; F192-F204 AromaticContact CE2-CG 3.68Å; F192-F204 HydrophobicContact CE2-CG 3.68Å; F192-F204 HydrophobicContact CG-CB 4.38Å; F192-F204 HydrophobicContact CZ-CB 3.37Å; F192-F204 HydrophobicContact CZ-CD1 4.17Å; F192-F204 AromaticContact CZ-CD2 3.73Å; F192-F204 HydrophobicContact CZ-CD2 3.73Å; F192-F204 AromaticContact CZ-CG 3.49Å; F192-F204 HydrophobicContact CZ-CG 3.49Å; F192-F204 VanDerWaalsContact CZ-CG 3.49Å; F192-F204 PolarHBondContact N-O 3.37Å; F192-F204 VanDerWaalsContact N-O 3.12Å; F192-F204 PolarHBondContact O-N 2.55Å; F192-L206 HydrophobicContact CD1-CD2 3.97Å; F192-L206 HydrophobicContact CD1-CG 4.32Å; F192-L206 HydrophobicContact CE1-CD2 3.6Å; F192-L206 HydrophobicContact CE1-CG 4.37Å |
| 193 | A | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I180 A181 V201 R202 L227 W229 L237 | I180-A193 CarbonylContact C-O 3.57Å; I180-A193 WeakPolarHBondContact CA-O 3.47Å; A181-A193 PolarHBondContact N-O 2.86Å; A181-A193 PolarHBondContact O-N 2.9Å; A193-V201 HydrophobicContact CB-CG1 4.44Å; A193-R202 CarbonylContact C-O 3.57Å; A193-R202 WeakPolarHBondContact CA-O 3.17Å; A193-R202 WeakPolarHBondContact CB-O 3.42Å; A193-L227 HydrophobicContact CB-CD1 4.11Å; A193-L227 HydrophobicContact CB-CD2 4.31Å; A193-W229 HydrophobicContact CB-CZ2 3.76Å; A193-L237 HydrophobicContact CB-CD2 4.43Å |
| 194 | S | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.2 | 171.1 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | H173 D179 V201 R202 F204 L227 | H173-S194 PolarHBondContact CD2-OG 2.76Å; H173-S194 PolarHBondContact NE2-O 2.84Å; H173-S194 PolarHBondContact NE2-OG 2.92Å; D179-S194 WeakPolarHBondContact O-CA 3.43Å; D179-S194 WeakPolarHBondContact O-CB 3.26Å; S194-V201 WeakPolarHBondContact O-CA 3.38Å; S194-R202 PolarHBondContact N-O 2.95Å; S194-R202 PolarHBondContact O-N 2.83Å; S194-F204 VanDerWaalsContact OG-CE2 3.24Å; S194-F204 WeakPolarHBondContact OG-CE2 3.17Å; S194-L227 VanDerWaalsContact C-CD2 3.49Å; S194-L227 VanDerWaalsContact CA-CD2 3.46Å |
| 195 | V | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.1 | 172.5 | -69.5 | 0 | 0 | 0 | 0 | 110.4 | V177 Y178 D179 S200 V201 L224 L227 | V177-V195 VanDerWaalsContact CG1-O 3.31Å; V177-V195 WeakPolarHBondContact CG1-O 3.44Å; Y178-V195 PolarHBondContact N-O 2.82Å; D179-V195 HydrophobicContact CB-CG2 3.68Å; D179-V195 PolarHBondContact N-O 3.5Å; D179-V195 PolarHBondContact O-N 2.8Å; V195-S200 WeakPolarHBondContact CA-O 3.42Å; V195-V201 HydrophobicContact CG1-CB 4.16Å; V195-V201 HydrophobicContact CG1-CG1 4.16Å; V195-V201 HydrophobicContact CG1-CG2 3.66Å; V195-L224 HydrophobicContact CB-CB 3.76Å; V195-L224 HydrophobicContact CG1-CB 4Å; V195-L224 HydrophobicContact CG1-CD1 4.27Å; V195-L224 HydrophobicContact CG2-CB 4.44Å; V195-L224 WeakPolarHBondContact CG2-O 3.48Å; V195-L227 HydrophobicContact CB-CD2 4.23Å; V195-L227 HydrophobicContact CG1-CB 3.99Å; V195-L227 HydrophobicContact CG1-CD2 3.73Å; V195-L227 HydrophobicContact CG1-CG 4.49Å; V195-L227 HydrophobicContact CG2-CB 4.49Å; V195-L227 HydrophobicContact CG2-CD2 4Å |
| 196 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E176 D198 G199 L224 | E176-G196 CarbonylContact O-C 3.47Å; E176-G196 WeakPolarHBondContact O-CA 3.47Å; G196-D198 PolarHBondContact O-N 2.9Å; G196-G199 PolarHBondContact O-N 3.09Å; G196-L224 PolarHBondContact O-N 2.89Å; G196-L224 VanDerWaalsContact O-N 3.09Å |
| 197 | A | 98.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 6% | 0.058 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | K175 E176 Y178 | K175-A197 HydrophobicContact CB-CB 3.82Å; K175-A197 HydrophobicContact CD-CB 4.13Å; K175-A197 WeakPolarHBondContact CD-O 3.28Å; E176-A197 HydrophobicContact CB-CB 4.19Å; E176-A197 PolarHBondContact O-N 3.42Å; E176-A197 WeakPolarHBondContact OE2-CB 3.47Å; Y178-A197 HydrophobicContact CE2-CB 3.58Å |
| 198 | D | 97.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 10% | 0.102 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4 | 169.9 | 68.8 | 2 | 0 | 0 | 0 | 112.9 | H173 K175 G196 S200 R202 | H173-D198 WeakPolarHBondContact CB-OD2 3.34Å; H173-D198 IonicContact CE1-OD1 2.55Å; H173-D198 IonicContact CG-OD1 3.44Å; H173-D198 IonicContact CG-OD2 2.79Å; H173-D198 VanDerWaalsContact ND1-CG 3.28Å; H173-D198 IonicContact ND1-OD1 3.62Å; H173-D198 PolarHBondContact ND1-OD1 3.16Å; H173-D198 IonicContact ND1-OD2 3.43Å; H173-D198 PolarHBondContact ND1-OD2 3.34Å; K175-D198 HydrophobicContact CB-CB 4.44Å; K175-D198 HydrophobicContact CD-CB 4.49Å; K175-D198 HydrophobicContact CG-CB 4.46Å; G196-D198 PolarHBondContact O-N 2.9Å; D198-S200 VanDerWaalsContact C-N 3.31Å; D198-S200 WeakPolarHBondContact OD1-CB 3.19Å; D198-S200 PolarHBondContact OD1-N 2.98Å; D198-S200 PolarHBondContact OD1-OG 3.33Å; D198-S200 PolarHBondContact OD2-OG 3.07Å; D198-S200 VanDerWaalsContact OD2-OG 3.1Å; D198-R202 IonicContact OD2-CZ 3.32Å; D198-R202 IonicContact OD2-NE 3.52Å; D198-R202 PolarHBondContact OD2-NE 3.13Å; D198-R202 IonicContact OD2-NH2 3.8Å; D198-R202 PolarHBondContact OD2-NH2 3.45Å |
| 199 | G | 98 | Very high | 96 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 76.5 | 16.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G196 E217 D218 H222 L224 | G196-G199 PolarHBondContact O-N 3.09Å; G199-E217 WeakPolarHBondContact O-CA 3.43Å; G199-D218 PolarHBondContact O-N 3.26Å; G199-H222 WeakPolarHBondContact CA-O 3.26Å; G199-L224 WeakPolarHBondContact O-CD1 3.46Å |
| 200 | S | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151.1 | -178.1 | 71.6 | 0 | 0 | 0 | 0 | 113 | H173 V195 D198 R202 Y216 | H173-S200 PolarHBondContact CE1-O 3.23Å; H173-S200 PolarHBondContact CE1-OG 2.9Å; H173-S200 VanDerWaalsContact CE1-OG 3.3Å; H173-S200 PolarHBondContact ND1-OG 2.96Å; V195-S200 WeakPolarHBondContact CA-O 3.42Å; D198-S200 VanDerWaalsContact C-N 3.31Å; D198-S200 WeakPolarHBondContact OD1-CB 3.19Å; D198-S200 PolarHBondContact OD1-N 2.98Å; D198-S200 PolarHBondContact OD1-OG 3.33Å; D198-S200 PolarHBondContact OD2-OG 3.07Å; D198-S200 VanDerWaalsContact OD2-OG 3.1Å; S200-R202 PolarHBondContact OG-NE 3.48Å; S200-R202 VanDerWaalsContact OG-NE 3.14Å; S200-Y216 CarbonylContact C-O 3.52Å; S200-Y216 WeakPolarHBondContact CA-O 3.27Å |
| 201 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.2 | 162.1 | -173 | 0 | 0 | 0 | 0 | 107.2 | A193 S194 V195 I215 Y216 L224 L237 T239 L250 | A193-V201 HydrophobicContact CB-CG1 4.44Å; S194-V201 WeakPolarHBondContact O-CA 3.38Å; V195-V201 HydrophobicContact CG1-CB 4.16Å; V195-V201 HydrophobicContact CG1-CG1 4.16Å; V195-V201 HydrophobicContact CG1-CG2 3.66Å; V201-I215 HydrophobicContact CB-CD1 4.4Å; V201-I215 HydrophobicContact CB-CG1 3.86Å; V201-I215 HydrophobicContact CG1-CD1 3.65Å; V201-I215 HydrophobicContact CG1-CG1 3.62Å; V201-I215 WeakPolarHBondContact O-CG1 3.25Å; V201-I215 PolarHBondContact O-N 2.89Å; V201-Y216 HydrophobicContact CG2-CD1 3.93Å; V201-Y216 HydrophobicContact CG2-CG 4.44Å; V201-Y216 PolarHBondContact N-O 2.88Å; V201-Y216 PolarHBondContact O-N 3.12Å; V201-L224 HydrophobicContact CG2-CD1 3.59Å; V201-L237 HydrophobicContact CG1-CD2 3.68Å; V201-T239 HydrophobicContact CG2-CG2 4.08Å; V201-L250 HydrophobicContact CB-CD1 4.5Å; V201-L250 HydrophobicContact CG2-CD1 3.98Å |
| 202 | R | 98 | Very high | 95.6 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 138.1 | -179.6 | -65.1 | -179.4 | -172.4 | -159.3 | 0.5 | 110.2 | A172 D174 A193 S194 D198 S200 F204 T213 I214 | A172-R202 WeakPolarHBondContact O-CD 3.4Å; A172-R202 PolarHBondContact O-NH1 3.35Å; D174-R202 IonicContact OD2-CZ 2.91Å; D174-R202 IonicContact OD2-NH1 3.7Å; D174-R202 IonicContact OD2-NH2 3.68Å; D174-R202 PolarHBondContact OD2-NH2 2.96Å; A193-R202 CarbonylContact C-O 3.57Å; A193-R202 WeakPolarHBondContact CA-O 3.17Å; A193-R202 WeakPolarHBondContact CB-O 3.42Å; S194-R202 PolarHBondContact N-O 2.95Å; S194-R202 PolarHBondContact O-N 2.83Å; D198-R202 IonicContact OD2-CZ 3.32Å; D198-R202 IonicContact OD2-NE 3.52Å; D198-R202 PolarHBondContact OD2-NE 3.13Å; D198-R202 IonicContact OD2-NH2 3.8Å; D198-R202 PolarHBondContact OD2-NH2 3.45Å; S200-R202 PolarHBondContact OG-NE 3.48Å; S200-R202 VanDerWaalsContact OG-NE 3.14Å; R202-F204 HydrophobicContact CB-CD2 4.49Å; R202-F204 HydrophobicContact CB-CE2 3.49Å; R202-F204 VanDerWaalsContact CB-CE2 3.49Å; R202-F204 HydrophobicContact CB-CZ 3.7Å; R202-F204 WeakPolarHBondContact O-CE2 3.34Å; R202-T213 CarbonylContact C-O 3.56Å; R202-T213 WeakPolarHBondContact CA-O 3.39Å; R202-I214 HydrophobicContact CG-CG1 4.06Å |
| 203 | M | 96.7 | Very high | 95.4 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 17% | 0.167 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.8 | 177.8 | -169.4 | 169.9 | 66.5 | 0 | 0 | 110.4 | M191 F192 S212 T213 I215 W229 | M191-M203 HydrophobicContact CE-CE 4.17Å; M191-M203 HydrophobicContact CE-CG 3.86Å; M191-M203 HydrophobicContact CE-SD 4.01Å; F192-M203 WeakPolarHBondContact O-CA 3.09Å; M203-S212 WeakPolarHBondContact O-CA 3.22Å; M203-T213 PolarHBondContact N-O 2.75Å; M203-T213 PolarHBondContact O-N 2.8Å; M203-I215 HydrophobicContact CB-CG2 4.01Å; M203-I215 HydrophobicContact CE-CG2 4.28Å; M203-W229 HydrophobicContact SD-CH2 4.36Å |
| 204 | F | 96.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.5 | -173.1 | -58.2 | -97.9 | 0 | 0 | 0 | 110.5 | L170 A172 M191 F192 S194 R202 | L170-F204 HydrophobicContact CD1-CD1 3.53Å; L170-F204 HydrophobicContact CD1-CE1 3.33Å; L170-F204 HydrophobicContact CD1-CG 4.45Å; L170-F204 HydrophobicContact CD1-CZ 4.15Å; A172-F204 HydrophobicContact CB-CE1 4.35Å; A172-F204 HydrophobicContact CB-CE2 4.4Å; A172-F204 HydrophobicContact CB-CZ 3.76Å; M191-F204 WeakPolarHBondContact CA-O 3.37Å; M191-F204 WeakPolarHBondContact CE-O 3.48Å; F192-F204 HydrophobicContact CD1-CB 3.98Å; F192-F204 HydrophobicContact CD2-CB 4.31Å; F192-F204 AromaticContact CD2-CD2 3.94Å; F192-F204 HydrophobicContact CD2-CD2 3.94Å; F192-F204 HydrophobicContact CD2-CG 4.43Å; F192-F204 HydrophobicContact CE1-CB 3.44Å; F192-F204 VanDerWaalsContact CE1-CB 3.44Å; F192-F204 HydrophobicContact CE1-CG 4.12Å; F192-F204 HydrophobicContact CE2-CB 3.84Å; F192-F204 AromaticContact CE2-CD2 3.37Å; F192-F204 HydrophobicContact CE2-CD2 3.37Å; F192-F204 HydrophobicContact CE2-CE2 4.07Å; F192-F204 AromaticContact CE2-CG 3.68Å; F192-F204 HydrophobicContact CE2-CG 3.68Å; F192-F204 HydrophobicContact CG-CB 4.38Å; F192-F204 HydrophobicContact CZ-CB 3.37Å; F192-F204 HydrophobicContact CZ-CD1 4.17Å; F192-F204 AromaticContact CZ-CD2 3.73Å; F192-F204 HydrophobicContact CZ-CD2 3.73Å; F192-F204 AromaticContact CZ-CG 3.49Å; F192-F204 HydrophobicContact CZ-CG 3.49Å; F192-F204 VanDerWaalsContact CZ-CG 3.49Å; F192-F204 PolarHBondContact N-O 3.37Å; F192-F204 VanDerWaalsContact N-O 3.12Å; F192-F204 PolarHBondContact O-N 2.55Å; S194-F204 VanDerWaalsContact OG-CE2 3.24Å; S194-F204 WeakPolarHBondContact OG-CE2 3.17Å; R202-F204 HydrophobicContact CB-CD2 4.49Å; R202-F204 HydrophobicContact CB-CE2 3.49Å; R202-F204 VanDerWaalsContact CB-CE2 3.49Å; R202-F204 HydrophobicContact CB-CZ 3.7Å; R202-F204 WeakPolarHBondContact O-CE2 3.34Å |
| 205 | D | 95.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.2 | 169 | -173.9 | -22.4 | 0 | 0 | 0 | 108.7 | D190 M191 R207 H208 L209 | D190-D205 CarbonylContact O-C 3.58Å; D190-D205 WeakPolarHBondContact O-CA 3.46Å; M191-D205 HydrophobicContact CE-CB 4.13Å; M191-D205 HydrophobicContact SD-CB 3.46Å; M191-D205 WeakPolarHBondContact SD-CB 3.33Å; M191-D205 VanDerWaalsContact SD-CG 3.54Å; D205-R207 PolarHBondContact O-N 2.66Å; D205-R207 VanDerWaalsContact OD1-CB 3.28Å; D205-R207 WeakPolarHBondContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CG 3.17Å; D205-R207 IonicContact OD1-CZ 3.94Å; D205-R207 PolarHBondContact OD1-N 2.84Å; D205-R207 IonicContact OD1-NE 2.96Å; D205-R207 PolarHBondContact OD1-NE 2.88Å; D205-R207 IonicContact OD1-NH2 3.05Å; D205-R207 IonicContact OD2-CZ 2.73Å; D205-R207 IonicContact OD2-NE 2.96Å; D205-R207 PolarHBondContact OD2-NE 2.77Å; D205-R207 IonicContact OD2-NH2 3.5Å; D205-R207 PolarHBondContact OD2-NH2 2.79Å; D205-H208 HydrophobicContact CB-CB 4.43Å; D205-H208 CarbonylContact O-C 3.56Å; D205-H208 PolarHBondContact O-N 2.84Å; D205-H208 IonicContact OD2-ND1 3.43Å; D205-H208 PolarHBondContact OD2-ND1 2.96Å; D205-L209 WeakPolarHBondContact O-CD2 3.45Å; D205-L209 PolarHBondContact O-N 2.85Å |
| 206 | L | 94.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 47.1 Ų | 47.1 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.5 | 179.1 | -68.1 | -176.1 | 0 | 0 | 0 | 113.5 | I147 T168 F182 D190 F192 L209 | I147-L206 HydrophobicContact CB-CD2 4.48Å; I147-L206 HydrophobicContact CD1-CD2 4.17Å; I147-L206 HydrophobicContact CG1-CD2 3.71Å; I147-L206 HydrophobicContact CG2-CD1 4.32Å; I147-L206 HydrophobicContact CG2-CD2 4.32Å; T168-L206 HydrophobicContact CG2-CD2 4.43Å; F182-L206 HydrophobicContact CE1-CD1 4.4Å; D190-L206 HydrophobicContact CB-CB 4.28Å; D190-L206 WeakPolarHBondContact O-CB 3.33Å; D190-L206 WeakPolarHBondContact O-CG 3.32Å; D190-L206 PolarHBondContact O-N 3.01Å; F192-L206 HydrophobicContact CD1-CD2 3.97Å; F192-L206 HydrophobicContact CD1-CG 4.32Å; F192-L206 HydrophobicContact CE1-CD2 3.6Å; F192-L206 HydrophobicContact CE1-CG 4.37Å; L206-L209 HydrophobicContact CD2-CD2 4.26Å |
| 207 | R | 92.6 | Very high | 95.1 | Very high | 139 Ų | 139 | 51.3 Ų | 51.3 | 53% | 0.525 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -19.7 | 176.3 | -56.3 | 166.7 | -63.3 | -171.4 | 10.5 | 112.3 | D190 D205 | D190-R207 HydrophobicContact CB-CG 4.15Å; D190-R207 WeakPolarHBondContact OD2-CD 3.44Å; D190-R207 IonicContact OD2-CZ 3.3Å; D190-R207 IonicContact OD2-NE 2.84Å; D190-R207 IonicContact OD2-NH1 3.34Å; D205-R207 PolarHBondContact O-N 2.66Å; D205-R207 VanDerWaalsContact OD1-CB 3.28Å; D205-R207 WeakPolarHBondContact OD1-CB 3.26Å; D205-R207 WeakPolarHBondContact OD1-CG 3.17Å; D205-R207 IonicContact OD1-CZ 3.94Å; D205-R207 PolarHBondContact OD1-N 2.84Å; D205-R207 IonicContact OD1-NE 2.96Å; D205-R207 PolarHBondContact OD1-NE 2.88Å; D205-R207 IonicContact OD1-NH2 3.05Å; D205-R207 IonicContact OD2-CZ 2.73Å; D205-R207 IonicContact OD2-NE 2.96Å; D205-R207 PolarHBondContact OD2-NE 2.77Å; D205-R207 IonicContact OD2-NH2 3.5Å; D205-R207 PolarHBondContact OD2-NH2 2.79Å |
| 208 | H | 91.9 | Very high | 95 | Very high | 120 Ų | 120 | 51.8 Ų | 51.8 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | trans | -138.8 | 56.5 | -173.6 | -57.6 | 100.4 | 0 | 0 | 0 | 111.6 | D205 E210 H211 | D205-H208 HydrophobicContact CB-CB 4.43Å; D205-H208 CarbonylContact O-C 3.56Å; D205-H208 PolarHBondContact O-N 2.84Å; D205-H208 IonicContact OD2-ND1 3.43Å; D205-H208 PolarHBondContact OD2-ND1 2.96Å; H208-E210 PolarHBondContact O-N 3.05Å; H208-E210 VanDerWaalsContact O-N 3.11Å; H208-H211 PolarHBondContact O-N 2.9Å | ||
| 209 | L | 90.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 29% | 0.288 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5.9 | -175.2 | -68.4 | 174 | 0 | 0 | 0 | 115.1 | T168 L170 D205 L206 H211 | T168-L209 HydrophobicContact CG2-CD1 3.71Å; L170-L209 HydrophobicContact CD2-CD1 4.46Å; L170-L209 HydrophobicContact CD2-CD2 3.95Å; D205-L209 WeakPolarHBondContact O-CD2 3.45Å; D205-L209 PolarHBondContact O-N 2.85Å; L206-L209 HydrophobicContact CD2-CD2 4.26Å; L209-H211 PolarHBondContact O-N 3.27Å |
| 210 | E | 87.7 | Confident | 94.7 | Very high | 176 Ų | 176 | 62.6 Ų | 62.6 | 82% | 0.822 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.5 | 174 | -60.4 | -176.3 | 173.8 | 0 | 0 | 112.2 | H208 | H208-E210 PolarHBondContact O-N 3.05Å; H208-E210 VanDerWaalsContact O-N 3.11Å |
| 211 | H | 87.4 | Confident | 94.6 | Very high | 144 Ų | 144 | 67.7 Ų | 67.7 | 67% | 0.667 | 33% | 0.333 | S | S | * | . | trans | -132.1 | 130.9 | -179.3 | -58.7 | -48.6 | 0 | 0 | 0 | 110.9 | H208 L209 | H208-H211 PolarHBondContact O-N 2.9Å; L209-H211 PolarHBondContact O-N 3.27Å | ||
| 212 | S | 92.8 | Very high | 94.5 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 156.3 | 164.2 | 66.7 | 0 | 0 | 0 | 0 | 109.5 | M203 | M203-S212 WeakPolarHBondContact O-CA 3.22Å |
| 213 | T | 94.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 72.1 Ų | 72.1 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.7 | 174.9 | -57.8 | 0 | 0 | 0 | 0 | 109 | R202 M203 I215 | R202-T213 CarbonylContact C-O 3.56Å; R202-T213 WeakPolarHBondContact CA-O 3.39Å; M203-T213 PolarHBondContact N-O 2.75Å; M203-T213 PolarHBondContact O-N 2.8Å; T213-I215 HydrophobicContact CG2-CG2 3.96Å; T213-I215 PolarHBondContact O-N 3.32Å |
| 214 | I | 96 | Very high | 94.6 | Very high | 73 Ų | 73 | 70.6 Ų | 70.6 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 115.4 | 168.4 | -58.4 | 171.8 | 0 | 0 | 0 | 107.1 | R202 | R202-I214 HydrophobicContact CG-CG1 4.06Å |
| 215 | I | 96.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -17.1 | -178.3 | 60.1 | 166.8 | 0 | 0 | 0 | 112.8 | V201 M203 T213 L237 V252 P255 C256 | V201-I215 HydrophobicContact CB-CD1 4.4Å; V201-I215 HydrophobicContact CB-CG1 3.86Å; V201-I215 HydrophobicContact CG1-CD1 3.65Å; V201-I215 HydrophobicContact CG1-CG1 3.62Å; V201-I215 WeakPolarHBondContact O-CG1 3.25Å; V201-I215 PolarHBondContact O-N 2.89Å; M203-I215 HydrophobicContact CB-CG2 4.01Å; M203-I215 HydrophobicContact CE-CG2 4.28Å; T213-I215 HydrophobicContact CG2-CG2 3.96Å; T213-I215 PolarHBondContact O-N 3.32Å; I215-L237 HydrophobicContact CD1-CD2 4Å; I215-V252 HydrophobicContact CD1-CG1 3.81Å; I215-P255 HydrophobicContact CB-CB 4.48Å; I215-C256 PolarHBondContact O-N 3.04Å |
| 216 | Y | 98 | Very high | 94.7 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 148.4 | 172.3 | 174.7 | -102.8 | 0 | 0 | 0 | 109.5 | S200 V201 D218 L224 T239 V248 L250 P258 R261 | S200-Y216 CarbonylContact C-O 3.52Å; S200-Y216 WeakPolarHBondContact CA-O 3.27Å; V201-Y216 HydrophobicContact CG2-CD1 3.93Å; V201-Y216 HydrophobicContact CG2-CG 4.44Å; V201-Y216 PolarHBondContact N-O 2.88Å; V201-Y216 PolarHBondContact O-N 3.12Å; Y216-D218 HydrophobicContact CE1-CB 4.34Å; Y216-D218 PolarHBondContact OH-OD2 2.89Å; Y216-L224 HydrophobicContact CD1-CD1 3.88Å; Y216-L224 HydrophobicContact CE1-CD1 4.04Å; Y216-L224 HydrophobicContact CE1-CD2 4.46Å; Y216-T239 HydrophobicContact CD1-CG2 4.35Å; Y216-T239 HydrophobicContact CE1-CG2 4.47Å; Y216-V248 HydrophobicContact CE2-CG1 4.31Å; Y216-L250 HydrophobicContact CD1-CD1 4.39Å; Y216-L250 HydrophobicContact CD2-CD2 3.63Å; Y216-L250 HydrophobicContact CE2-CD2 4.29Å; Y216-L250 HydrophobicContact CG-CD1 3.97Å; Y216-L250 HydrophobicContact CG-CD2 3.76Å; Y216-P258 HydrophobicContact CE2-CG 4.48Å; Y216-R261 PolarHBondContact OH-NH2 2.78Å |
| 217 | E | 97.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 73.8 Ų | 73.8 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 131.6 | 170.7 | -170 | 168.4 | -177.2 | 0 | 0 | 107.6 | G199 H221 | G199-E217 WeakPolarHBondContact O-CA 3.43Å; E217-H221 IonicContact OE1-CE1 3.8Å; E217-H221 PolarHBondContact OE1-CE1 3.39Å; E217-H221 IonicContact OE1-ND1 3.56Å; E217-H221 PolarHBondContact OE1-ND1 2.81Å |
| 218 | D | 96.5 | Very high | 95.1 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 9% | 0.086 | 35% | 0.347 | C | S | . | . | trans | -63.7 | 129.4 | 176.3 | -175.4 | -101.7 | 0 | 0 | 0 | 109.6 | G199 Y216 Q220 H221 H222 | G199-D218 PolarHBondContact O-N 3.26Å; Y216-D218 HydrophobicContact CE1-CB 4.34Å; Y216-D218 PolarHBondContact OH-OD2 2.89Å; D218-Q220 PolarHBondContact O-N 2.9Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.11Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.5Å; D218-Q220 PolarHBondContact OD1-N 2.91Å; D218-H221 WeakPolarHBondContact O-CA 3.39Å; D218-H221 PolarHBondContact O-N 2.91Å; D218-H221 PolarHBondContact OD1-N 2.83Å; D218-H222 IonicContact OD1-CG 2.9Å; D218-H222 PolarHBondContact OD1-N 3Å; D218-H222 VanDerWaalsContact OD1-N 3.13Å; D218-H222 IonicContact OD1-ND1 2.88Å; D218-H222 PolarHBondContact OD1-ND1 3.08Å | ||
| 219 | P | 94.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 63 Ų | 63 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22 | -177.3 | -26.6 | 35.1 | 0 | 0 | 0 | 114.6 | ||
| 220 | Q | 94.8 | Very high | 95.7 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 4.7 | 177.6 | -57.5 | -175.3 | 28.8 | 0 | 0 | 111.7 | D218 H222 | D218-Q220 PolarHBondContact O-N 2.9Å; D218-Q220 WeakPolarHBondContact OD1-CA 3.11Å; D218-Q220 WeakPolarHBondContact OD1-CB 3.5Å; D218-Q220 PolarHBondContact OD1-N 2.91Å; Q220-H222 PolarHBondContact O-N 2.88Å; Q220-H222 PolarHBondContact OE1-CE1 2.9Å |
| 221 | H | 94.8 | Very high | 95.9 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | trans | 52.1 | 33.5 | -173.6 | -53.1 | -85.4 | 0 | 0 | 0 | 112.9 | E217 D218 | E217-H221 IonicContact OE1-CE1 3.8Å; E217-H221 PolarHBondContact OE1-CE1 3.39Å; E217-H221 IonicContact OE1-ND1 3.56Å; E217-H221 PolarHBondContact OE1-ND1 2.81Å; D218-H221 WeakPolarHBondContact O-CA 3.39Å; D218-H221 PolarHBondContact O-N 2.91Å; D218-H221 PolarHBondContact OD1-N 2.83Å | ||
| 222 | H | 97.2 | Very high | 96.3 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 138.2 | 170.4 | -69.1 | 125.7 | 0 | 0 | 0 | 109.9 | G199 D218 Q220 L224 A241 | G199-H222 WeakPolarHBondContact CA-O 3.26Å; D218-H222 IonicContact OD1-CG 2.9Å; D218-H222 PolarHBondContact OD1-N 3Å; D218-H222 VanDerWaalsContact OD1-N 3.13Å; D218-H222 IonicContact OD1-ND1 2.88Å; D218-H222 PolarHBondContact OD1-ND1 3.08Å; Q220-H222 PolarHBondContact O-N 2.88Å; Q220-H222 PolarHBondContact OE1-CE1 2.9Å; H222-L224 PolarHBondContact O-N 3.48Å; H222-A241 HydrophobicContact CB-CB 4.31Å |
| 223 | P | 98.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 52 Ų | 52 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 134.9 | 175.6 | -30 | 37.7 | 0 | 0 | 0 | 112.8 | Y178 A241 M242 | Y178-P223 HydrophobicContact CE2-CB 3.99Å; P223-A241 CarbonylContact O-C 3.57Å; P223-A241 VanDerWaalsContact O-CA 3.27Å; P223-A241 WeakPolarHBondContact O-CA 3.36Å; P223-M242 HydrophobicContact CB-CB 3.96Å; P223-M242 PolarHBondContact O-N 3.33Å |
| 224 | L | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.4 | 175.2 | -65.6 | -176.7 | 0 | 0 | 0 | 110 | Y178 V195 G196 G199 V201 Y216 H222 T239 A241 | Y178-L224 WeakPolarHBondContact CD2-O 3.39Å; V195-L224 HydrophobicContact CB-CB 3.76Å; V195-L224 HydrophobicContact CG1-CB 4Å; V195-L224 HydrophobicContact CG1-CD1 4.27Å; V195-L224 HydrophobicContact CG2-CB 4.44Å; V195-L224 WeakPolarHBondContact CG2-O 3.48Å; G196-L224 PolarHBondContact O-N 2.89Å; G196-L224 VanDerWaalsContact O-N 3.09Å; G199-L224 WeakPolarHBondContact O-CD1 3.46Å; V201-L224 HydrophobicContact CG2-CD1 3.59Å; Y216-L224 HydrophobicContact CD1-CD1 3.88Å; Y216-L224 HydrophobicContact CE1-CD1 4.04Å; Y216-L224 HydrophobicContact CE1-CD2 4.46Å; H222-L224 PolarHBondContact O-N 3.48Å; L224-T239 HydrophobicContact CD1-CG2 4.5Å; L224-A241 HydrophobicContact CD2-CB 4.02Å |
| 225 | L | 97.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -37.4 | -168.6 | -74.3 | -173.7 | 0 | 0 | 0 | 115.3 | Y178 M240 M242 | Y178-L225 HydrophobicContact CD2-CD2 3.79Å; Y178-L225 HydrophobicContact CE2-CD2 4.12Å; Y178-L225 HydrophobicContact CG-CD2 4.09Å; L225-M240 PolarHBondContact N-O 3.21Å; L225-M242 VanDerWaalsContact CD1-CA 3.49Å; L225-M242 HydrophobicContact CD1-CB 3.83Å; L225-M242 HydrophobicContact CD1-CG 3.92Å; L225-M242 HydrophobicContact CD2-CB 3.91Å; L225-M242 HydrophobicContact CD2-CG 4.12Å; L225-M242 HydrophobicContact CD2-SD 4.12Å; L225-M242 HydrophobicContact CG-CB 3.62Å; L225-M242 HydrophobicContact CG-CG 4.13Å |
| 226 | R | 97.3 | Very high | 96.3 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 147 | -173 | -66.3 | -66.2 | 179.1 | -109.4 | 7.9 | 111 | Y178 D179 T239 M240 | Y178-R226 PolarHBondContact O-NH1 2.88Å; Y178-R226 VanDerWaalsContact O-NH1 3.13Å; D179-R226 WeakPolarHBondContact OD2-CA 3.46Å; D179-R226 VanDerWaalsContact OD2-CD 3.24Å; D179-R226 WeakPolarHBondContact OD2-CD 3.48Å; R226-T239 VanDerWaalsContact O-CA 3.28Å; R226-T239 WeakPolarHBondContact O-CA 3.34Å; R226-T239 PolarHBondContact O-OG1 2.92Å; R226-T239 VanDerWaalsContact O-OG1 3.1Å; R226-M240 HydrophobicContact CB-CE 3.61Å; R226-M240 HydrophobicContact CB-CG 4.16Å; R226-M240 HydrophobicContact CB-SD 4.32Å; R226-M240 HydrophobicContact CG-CE 3.35Å; R226-M240 PolarHBondContact O-N 2.86Å |
| 227 | L | 97.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.8 | 171.6 | 75.1 | 97.9 | 0 | 0 | 0 | 110.2 | D179 A181 A193 S194 V195 L237 A238 | D179-L227 PolarHBondContact OD2-N 3.1Å; D179-L227 VanDerWaalsContact OD2-N 3.09Å; A181-L227 HydrophobicContact CB-CD1 3.39Å; A181-L227 HydrophobicContact CB-CG 4.29Å; A193-L227 HydrophobicContact CB-CD1 4.11Å; A193-L227 HydrophobicContact CB-CD2 4.31Å; S194-L227 VanDerWaalsContact C-CD2 3.49Å; S194-L227 VanDerWaalsContact CA-CD2 3.46Å; V195-L227 HydrophobicContact CB-CD2 4.23Å; V195-L227 HydrophobicContact CG1-CB 3.99Å; V195-L227 HydrophobicContact CG1-CD2 3.73Å; V195-L227 HydrophobicContact CG1-CG 4.49Å; V195-L227 HydrophobicContact CG2-CB 4.49Å; V195-L227 HydrophobicContact CG2-CD2 4Å; L227-L237 HydrophobicContact CB-CD1 4.14Å; L227-L237 HydrophobicContact CD1-CD1 3.57Å; L227-L237 HydrophobicContact CD1-CD2 4.48Å; L227-L237 HydrophobicContact CG-CD1 4.5Å; L227-A238 CarbonylContact C-O 3.57Å; L227-A238 VanDerWaalsContact CA-O 3.26Å; L227-A238 WeakPolarHBondContact CA-O 3.5Å |
| 228 | C | 97.7 | Very high | 96.3 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 122.7 | -180 | -162.6 | 0 | 0 | 0 | 0 | 110.5 | L237 A238 I272 W274 | C228-L237 VanDerWaalsContact C-CD1 3.46Å; C228-L237 WeakPolarHBondContact O-CD1 3.14Å; C228-A238 PolarHBondContact N-O 3.09Å; C228-A238 PolarHBondContact O-N 3.48Å; C228-I272 HydrophobicContact CB-CB 4.4Å; C228-I272 HydrophobicContact CB-CG2 4.15Å; C228-W274 PolarHBondContact O-NE1 2.78Å |
| 229 | W | 97.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139 | 176.7 | -72.3 | 102.8 | 0 | 0 | 0 | 111.6 | A181 A193 M203 K231 P234 L237 V252 W274 | A181-W229 PolarHBondContact O-NE1 3.21Å; A193-W229 HydrophobicContact CB-CZ2 3.76Å; M203-W229 HydrophobicContact SD-CH2 4.36Å; W229-K231 PolarHBondContact O-N 2.67Å; W229-P234 VanDerWaalsContact CZ3-O 3.25Å; W229-P234 WeakPolarHBondContact CZ3-O 3.08Å; W229-L237 HydrophobicContact CB-CD1 4.46Å; W229-L237 HydrophobicContact CD2-CB 4.4Å; W229-L237 HydrophobicContact CD2-CD1 3.61Å; W229-L237 HydrophobicContact CE3-CB 3.98Å; W229-L237 HydrophobicContact CE3-CD1 4.06Å; W229-L237 HydrophobicContact CG-CD1 3.79Å; W229-L237 HydrophobicContact CZ2-CD1 4.37Å; W229-L237 HydrophobicContact CZ3-CB 4.05Å; W229-V252 HydrophobicContact CH2-CG1 3.64Å; W229-V252 HydrophobicContact CZ3-CG1 3.63Å; W229-V252 HydrophobicContact CZ3-CG2 4.38Å; W229-W274 VanDerWaalsContact O-CD1 3.23Å |
| 230 | N | 97 | Very high | 96.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -68.4 | 118.5 | 163.5 | -177.2 | -25.3 | 0 | 0 | 0 | 109.1 | Q232 D233 Y236 W274 S279 | N230-Q232 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact OD1-N 3.35Å; N230-D233 VanDerWaalsContact CB-O 3.3Å; N230-D233 WeakPolarHBondContact CB-O 3.35Å; N230-D233 CarbonylContact O-C 3.54Å; N230-D233 PolarHBondContact OD1-N 3.01Å; N230-Y236 WeakPolarHBondContact CB-O 3.49Å; N230-Y236 PolarHBondContact N-O 2.54Å; N230-W274 HydrophobicContact CB-CD2 3.64Å; N230-W274 HydrophobicContact CB-CE3 3.76Å; N230-W274 HydrophobicContact CB-CG 4.13Å; N230-W274 HydrophobicContact CB-CH2 4.12Å; N230-W274 HydrophobicContact CB-CZ2 4.01Å; N230-W274 HydrophobicContact CB-CZ3 4Å; N230-W274 WeakPolarHBondContact ND2-CZ3 3.41Å; N230-S279 PolarHBondContact ND2-O 3.43Å | ||
| 231 | K | 92.2 | Very high | 96.7 | Very high | 47 Ų | 47 | 34.8 Ų | 34.8 | 20% | 0.204 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -80.8 | -17.7 | -174.6 | -57.1 | -66.3 | 178.1 | 158.2 | 0 | 112.9 | E130 W229 | E130-K231 WeakPolarHBondContact OE1-CD 3.41Å; E130-K231 WeakPolarHBondContact OE1-CE 3.22Å; E130-K231 IonicContact OE1-NZ 2.65Å; E130-K231 PolarHBondContact OE1-NZ 2.79Å; E130-K231 IonicContact OE2-NZ 3.43Å; W229-K231 PolarHBondContact O-N 2.67Å |
| 232 | Q | 94.6 | Very high | 96.8 | Very high | 107 Ų | 107 | 33.6 Ų | 33.6 | 50% | 0.5 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -91.9 | -36.3 | 176.9 | -67.1 | -58.6 | -38.6 | 0 | 0 | 112 | N230 P276 | N230-Q232 VanDerWaalsContact C-N 3.35Å; N230-Q232 PolarHBondContact OD1-N 3.35Å; Q232-P276 PolarHBondContact NE2-O 3.42Å |
| 233 | D | 95.4 | Very high | 96.6 | Very high | 41 Ų | 41 | 35 Ų | 35 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | trans | -126 | 100 | 171.6 | -171.6 | -15.9 | 0 | 0 | 0 | 110.8 | N230 N235 Y236 | N230-D233 VanDerWaalsContact CB-O 3.3Å; N230-D233 WeakPolarHBondContact CB-O 3.35Å; N230-D233 CarbonylContact O-C 3.54Å; N230-D233 PolarHBondContact OD1-N 3.01Å; D233-N235 PolarHBondContact O-N 2.93Å; D233-N235 VanDerWaalsContact OD1-CB 3.32Å; D233-N235 WeakPolarHBondContact OD1-CB 3.41Å; D233-N235 PolarHBondContact OD1-N 2.66Å; D233-N235 PolarHBondContact OD1-ND2 3.32Å; D233-Y236 HydrophobicContact CB-CD2 4.01Å; D233-Y236 PolarHBondContact O-N 2.88Å; D233-Y236 VanDerWaalsContact O-N 3.16Å; D233-Y236 VanDerWaalsContact OD2-CE2 3.31Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.47Å | ||
| 234 | P | 93.7 | Very high | 96.5 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 23% | 0.234 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 1.3 | -175.1 | 31.6 | -36.7 | 0 | 0 | 0 | 114 | R184 A185 W229 Y236 | R184-P234 HydrophobicContact CB-CB 4.2Å; A185-P234 HydrophobicContact CB-CB 4.27Å; W229-P234 VanDerWaalsContact CZ3-O 3.25Å; W229-P234 WeakPolarHBondContact CZ3-O 3.08Å; P234-Y236 VanDerWaalsContact C-N 3.31Å |
| 235 | N | 94.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 38 Ų | 38 | 24% | 0.235 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -21.1 | 171.8 | -59.3 | -59.8 | 0 | 0 | 0 | 112.3 | D233 D251 V252 R253 | D233-N235 PolarHBondContact O-N 2.93Å; D233-N235 VanDerWaalsContact OD1-CB 3.32Å; D233-N235 WeakPolarHBondContact OD1-CB 3.41Å; D233-N235 PolarHBondContact OD1-N 2.66Å; D233-N235 PolarHBondContact OD1-ND2 3.32Å; N235-D251 WeakPolarHBondContact O-CA 3.28Å; N235-V252 PolarHBondContact O-N 3.01Å; N235-R253 WeakPolarHBondContact OD1-CD 3.47Å |
| 236 | Y | 96.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 39.2 Ų | 39.2 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 135.2 | -176.4 | -64.1 | -71.2 | 0 | 0 | 0 | 112.8 | N230 D233 P234 I249 L250 D251 V259 M299 | N230-Y236 WeakPolarHBondContact CB-O 3.49Å; N230-Y236 PolarHBondContact N-O 2.54Å; D233-Y236 HydrophobicContact CB-CD2 4.01Å; D233-Y236 PolarHBondContact O-N 2.88Å; D233-Y236 VanDerWaalsContact O-N 3.16Å; D233-Y236 VanDerWaalsContact OD2-CE2 3.31Å; D233-Y236 WeakPolarHBondContact OD2-CE2 3.47Å; P234-Y236 VanDerWaalsContact C-N 3.31Å; Y236-I249 HydrophobicContact CD1-CG2 4.31Å; Y236-L250 WeakPolarHBondContact CA-O 3.19Å; Y236-D251 HydrophobicContact CD1-CB 4.2Å; Y236-D251 HydrophobicContact CE1-CB 3.91Å; Y236-V259 HydrophobicContact CD1-CG2 4.24Å; Y236-V259 HydrophobicContact CE1-CG2 4.09Å; Y236-M299 HydrophobicContact CD1-CE 4.29Å; Y236-M299 HydrophobicContact CE1-CE 3.94Å |
| 237 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.2 | 175.8 | 178.4 | 72.8 | 0 | 0 | 0 | 109 | A193 V201 I215 L227 C228 W229 L250 V252 | A193-L237 HydrophobicContact CB-CD2 4.43Å; V201-L237 HydrophobicContact CG1-CD2 3.68Å; I215-L237 HydrophobicContact CD1-CD2 4Å; L227-L237 HydrophobicContact CB-CD1 4.14Å; L227-L237 HydrophobicContact CD1-CD1 3.57Å; L227-L237 HydrophobicContact CD1-CD2 4.48Å; L227-L237 HydrophobicContact CG-CD1 4.5Å; C228-L237 VanDerWaalsContact C-CD1 3.46Å; C228-L237 WeakPolarHBondContact O-CD1 3.14Å; W229-L237 HydrophobicContact CB-CD1 4.46Å; W229-L237 HydrophobicContact CD2-CB 4.4Å; W229-L237 HydrophobicContact CD2-CD1 3.61Å; W229-L237 HydrophobicContact CE3-CB 3.98Å; W229-L237 HydrophobicContact CE3-CD1 4.06Å; W229-L237 HydrophobicContact CG-CD1 3.79Å; W229-L237 HydrophobicContact CZ2-CD1 4.37Å; W229-L237 HydrophobicContact CZ3-CB 4.05Å; L237-L250 HydrophobicContact CD2-CD1 4.4Å; L237-L250 PolarHBondContact N-O 2.82Å; L237-L250 PolarHBondContact O-N 3.4Å; L237-V252 HydrophobicContact CB-CG1 4.41Å |
| 238 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L227 C228 V247 V248 I249 I272 W274 I282 | L227-A238 CarbonylContact C-O 3.57Å; L227-A238 VanDerWaalsContact CA-O 3.26Å; L227-A238 WeakPolarHBondContact CA-O 3.5Å; C228-A238 PolarHBondContact N-O 3.09Å; C228-A238 PolarHBondContact O-N 3.48Å; A238-V247 HydrophobicContact CB-CG1 4.01Å; A238-V248 CarbonylContact C-O 3.41Å; A238-V248 WeakPolarHBondContact CA-O 3.45Å; A238-I249 HydrophobicContact CB-CD1 3.69Å; A238-I272 HydrophobicContact CB-CD1 4.4Å; A238-I272 HydrophobicContact CB-CG2 3.9Å; A238-W274 HydrophobicContact CB-CZ2 3.89Å; A238-I282 HydrophobicContact CB-CD1 3.67Å |
| 239 | T | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154.4 | 173.5 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | V201 Y216 L224 R226 V248 L250 | V201-T239 HydrophobicContact CG2-CG2 4.08Å; Y216-T239 HydrophobicContact CD1-CG2 4.35Å; Y216-T239 HydrophobicContact CE1-CG2 4.47Å; L224-T239 HydrophobicContact CD1-CG2 4.5Å; R226-T239 VanDerWaalsContact O-CA 3.28Å; R226-T239 WeakPolarHBondContact O-CA 3.34Å; R226-T239 PolarHBondContact O-OG1 2.92Å; R226-T239 VanDerWaalsContact O-OG1 3.1Å; T239-V248 HydrophobicContact CG2-CB 3.99Å; T239-V248 PolarHBondContact N-O 3.02Å; T239-V248 PolarHBondContact O-N 3.15Å; T239-L250 HydrophobicContact CG2-CD1 4.08Å |
| 240 | M | 97.7 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.8 | 173.1 | 65.7 | -162.1 | -165.4 | 0 | 0 | 111.8 | L225 R226 V247 V269 N270 I272 | L225-M240 PolarHBondContact N-O 3.21Å; R226-M240 HydrophobicContact CB-CE 3.61Å; R226-M240 HydrophobicContact CB-CG 4.16Å; R226-M240 HydrophobicContact CB-SD 4.32Å; R226-M240 HydrophobicContact CG-CE 3.35Å; R226-M240 PolarHBondContact O-N 2.86Å; M240-V247 HydrophobicContact CB-CG2 4.42Å; M240-V269 WeakPolarHBondContact CE-O 3.47Å; M240-V269 HydrophobicContact SD-CB 4.12Å; M240-V269 HydrophobicContact SD-CG1 3.73Å; M240-N270 WeakPolarHBondContact CE-O 3.34Å; M240-I272 HydrophobicContact CB-CD1 4Å; M240-I272 HydrophobicContact CG-CD1 3.93Å; M240-I272 HydrophobicContact SD-CD1 3.62Å; M240-I272 HydrophobicContact SD-CG1 3.69Å |
| 241 | A | 97.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 13% | 0.132 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 157.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H222 P223 L224 D243 G244 | H222-A241 HydrophobicContact CB-CB 4.31Å; P223-A241 CarbonylContact O-C 3.57Å; P223-A241 VanDerWaalsContact O-CA 3.27Å; P223-A241 WeakPolarHBondContact O-CA 3.36Å; L224-A241 HydrophobicContact CD2-CB 4.02Å; A241-D243 PolarHBondContact O-N 3.28Å; A241-G244 PolarHBondContact O-N 2.71Å; A241-G244 VanDerWaalsContact O-N 3.15Å |
| 242 | M | 96 | Very high | 96.4 | Very high | 83 Ų | 83 | 34.1 Ų | 34.1 | 41% | 0.409 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 131.4 | 169.1 | -174.1 | 162.8 | -175.7 | 0 | 0 | 109.9 | P223 L225 G244 | P223-M242 HydrophobicContact CB-CB 3.96Å; P223-M242 PolarHBondContact O-N 3.33Å; L225-M242 VanDerWaalsContact CD1-CA 3.49Å; L225-M242 HydrophobicContact CD1-CB 3.83Å; L225-M242 HydrophobicContact CD1-CG 3.92Å; L225-M242 HydrophobicContact CD2-CB 3.91Å; L225-M242 HydrophobicContact CD2-CG 4.12Å; L225-M242 HydrophobicContact CD2-SD 4.12Å; L225-M242 HydrophobicContact CG-CB 3.62Å; L225-M242 HydrophobicContact CG-CG 4.13Å; M242-G244 PolarHBondContact O-N 3.02Å |
| 243 | D | 94.8 | Very high | 96.4 | Very high | 114 Ų | 114 | 35.8 Ų | 35.8 | 61% | 0.61 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 19.4 | -175.5 | -50 | -38.7 | 0 | 0 | 0 | 113.8 | A241 C268 | A241-D243 PolarHBondContact O-N 3.28Å; D243-C268 VanDerWaalsContact CA-SG 3.54Å |
| 244 | G | 96.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | trans | -83.4 | 140.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A241 M242 C268 V269 | A241-G244 PolarHBondContact O-N 2.71Å; A241-G244 VanDerWaalsContact O-N 3.15Å; M242-G244 PolarHBondContact O-N 3.02Å; G244-C268 WeakPolarHBondContact O-CA 3.36Å; G244-V269 PolarHBondContact O-N 2.79Å | ||
| 245 | M | 97.2 | Very high | 96.1 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 43% | 0.433 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -95.2 | 1.1 | 177.1 | -50.7 | 169.9 | 85 | 0 | 0 | 112.3 | R266 | M245-R266 VanDerWaalsContact CE-CA 3.48Å; M245-R266 WeakPolarHBondContact CE-O 3.46Å |
| 246 | E | 96.4 | Very high | 95.9 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | trans | -121.8 | 146.3 | -175.2 | -55.2 | -168 | 142.7 | 0 | 0 | 111.2 | R261 L262 N263 | E246-R261 IonicContact OE2-NH1 3.35Å; E246-R261 PolarHBondContact OE2-NH1 2.9Å; E246-L262 WeakPolarHBondContact CA-O 3.42Å; E246-N263 HydrophobicContact CG-CB 3.75Å; E246-N263 VanDerWaalsContact OE1-CB 3.26Å; E246-N263 WeakPolarHBondContact OE1-CB 3.32Å; E246-N263 PolarHBondContact OE1-ND2 2.82Å | ||
| 247 | V | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.2 | 166.3 | 176.9 | 0 | 0 | 0 | 0 | 109.5 | A238 M240 I249 R261 L262 V269 I272 T284 | A238-V247 HydrophobicContact CB-CG1 4.01Å; M240-V247 HydrophobicContact CB-CG2 4.42Å; V247-I249 HydrophobicContact CG1-CD1 4.12Å; V247-R261 CarbonylContact O-C 3.59Å; V247-R261 WeakPolarHBondContact O-CA 3.21Å; V247-L262 HydrophobicContact CB-CB 4.25Å; V247-L262 HydrophobicContact CB-CD1 4.31Å; V247-L262 HydrophobicContact CG1-CD1 4.39Å; V247-L262 PolarHBondContact N-O 3.25Å; V247-L262 VanDerWaalsContact N-O 3.07Å; V247-L262 PolarHBondContact O-N 2.82Å; V247-V269 HydrophobicContact CG2-CB 4.44Å; V247-V269 HydrophobicContact CG2-CG1 3.8Å; V247-V269 HydrophobicContact CG2-CG2 4.39Å; V247-I272 HydrophobicContact CG1-CD1 3.78Å; V247-I272 HydrophobicContact CG1-CG1 4.33Å; V247-I272 HydrophobicContact CG2-CD1 4.03Å; V247-I272 HydrophobicContact CG2-CG1 4.04Å; V247-T284 HydrophobicContact CB-CG2 4.24Å; V247-T284 HydrophobicContact CG2-CG2 3.62Å |
| 248 | V | 97.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 127.8 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | Y216 A238 T239 L250 P258 | Y216-V248 HydrophobicContact CE2-CG1 4.31Å; A238-V248 CarbonylContact C-O 3.41Å; A238-V248 WeakPolarHBondContact CA-O 3.45Å; T239-V248 HydrophobicContact CG2-CB 3.99Å; T239-V248 PolarHBondContact N-O 3.02Å; T239-V248 PolarHBondContact O-N 3.15Å; V248-L250 HydrophobicContact CG1-CD2 3.73Å; V248-L250 HydrophobicContact CG1-CG 4.37Å; V248-P258 HydrophobicContact CG1-CB 3.45Å; V248-P258 VanDerWaalsContact CG1-CB 3.45Å; V248-P258 HydrophobicContact CG1-CG 4.42Å |
| 249 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.3 | 174 | -48.9 | -59.1 | 0 | 0 | 0 | 109 | Y236 A238 V247 P258 V259 A260 L262 W274 I282 I296 M299 | Y236-I249 HydrophobicContact CD1-CG2 4.31Å; A238-I249 HydrophobicContact CB-CD1 3.69Å; V247-I249 HydrophobicContact CG1-CD1 4.12Å; I249-P258 CarbonylContact O-C 3.57Å; I249-P258 WeakPolarHBondContact O-CA 3.06Å; I249-V259 HydrophobicContact CB-CG2 4.12Å; I249-V259 HydrophobicContact CG2-CG2 3.78Å; I249-V259 VanDerWaalsContact O-CG2 3.32Å; I249-V259 WeakPolarHBondContact O-CG2 3.37Å; I249-V259 PolarHBondContact O-N 2.75Å; I249-A260 HydrophobicContact CB-CB 4.08Å; I249-A260 HydrophobicContact CG1-CB 4.16Å; I249-A260 PolarHBondContact N-O 2.88Å; I249-A260 PolarHBondContact O-N 3.32Å; I249-L262 HydrophobicContact CD1-CD1 4.08Å; I249-L262 HydrophobicContact CG1-CD1 4.36Å; I249-L262 HydrophobicContact CG1-CG 4.31Å; I249-W274 HydrophobicContact CD1-CH2 4.27Å; I249-W274 HydrophobicContact CD1-CZ2 4.11Å; I249-W274 HydrophobicContact CG2-CH2 4.23Å; I249-W274 HydrophobicContact CG2-CZ2 4.47Å; I249-I282 HydrophobicContact CD1-CD1 3.96Å; I249-I296 HydrophobicContact CG2-CD1 4.41Å; I249-M299 HydrophobicContact CG2-SD 4.05Å |
| 250 | L | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 141.6 | -177 | -54.8 | 176.2 | 0 | 0 | 0 | 109.8 | V201 Y216 Y236 L237 T239 V248 P258 | V201-L250 HydrophobicContact CB-CD1 4.5Å; V201-L250 HydrophobicContact CG2-CD1 3.98Å; Y216-L250 HydrophobicContact CD1-CD1 4.39Å; Y216-L250 HydrophobicContact CD2-CD2 3.63Å; Y216-L250 HydrophobicContact CE2-CD2 4.29Å; Y216-L250 HydrophobicContact CG-CD1 3.97Å; Y216-L250 HydrophobicContact CG-CD2 3.76Å; Y236-L250 WeakPolarHBondContact CA-O 3.19Å; L237-L250 HydrophobicContact CD2-CD1 4.4Å; L237-L250 PolarHBondContact N-O 2.82Å; L237-L250 PolarHBondContact O-N 3.4Å; T239-L250 HydrophobicContact CG2-CD1 4.08Å; V248-L250 HydrophobicContact CG1-CD2 3.73Å; V248-L250 HydrophobicContact CG1-CG 4.37Å; L250-P258 HydrophobicContact CD2-CB 4.08Å |
| 251 | D | 95.3 | Very high | 95.2 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 114.8 | 163 | -176.3 | -22.8 | 0 | 0 | 0 | 108 | N235 Y236 R253 V254 V259 | N235-D251 WeakPolarHBondContact O-CA 3.28Å; Y236-D251 HydrophobicContact CD1-CB 4.2Å; Y236-D251 HydrophobicContact CE1-CB 3.91Å; D251-R253 PolarHBondContact O-N 3.26Å; D251-R253 VanDerWaalsContact O-N 3.08Å; D251-R253 VanDerWaalsContact OD1-CB 3.27Å; D251-R253 WeakPolarHBondContact OD1-CB 3.24Å; D251-R253 WeakPolarHBondContact OD1-CG 3.22Å; D251-R253 IonicContact OD1-CZ 3.51Å; D251-R253 PolarHBondContact OD1-N 2.83Å; D251-R253 IonicContact OD1-NE 2.71Å; D251-R253 PolarHBondContact OD1-NE 2.87Å; D251-R253 IonicContact OD1-NH2 2.8Å; D251-R253 IonicContact OD2-CZ 2.79Å; D251-R253 IonicContact OD2-NE 2.73Å; D251-R253 PolarHBondContact OD2-NE 3.47Å; D251-R253 IonicContact OD2-NH2 3.36Å; D251-R253 PolarHBondContact OD2-NH2 2.91Å; D251-V254 CarbonylContact O-C 3.54Å; D251-V254 VanDerWaalsContact O-C 3.31Å; D251-V254 PolarHBondContact O-N 3.49Å; D251-V259 HydrophobicContact CB-CG1 3.65Å |
| 252 | V | 94.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.7 | -173.8 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | I215 W229 N235 L237 V254 | I215-V252 HydrophobicContact CD1-CG1 3.81Å; W229-V252 HydrophobicContact CH2-CG1 3.64Å; W229-V252 HydrophobicContact CZ3-CG1 3.63Å; W229-V252 HydrophobicContact CZ3-CG2 4.38Å; N235-V252 PolarHBondContact O-N 3.01Å; L237-V252 HydrophobicContact CB-CG1 4.41Å; V252-V254 VanDerWaalsContact C-N 3.34Å |
| 253 | R | 92.6 | Very high | 95.1 | Very high | 143 Ų | 143 | 50.1 Ų | 50.1 | 54% | 0.54 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -17.6 | 172.2 | -54.9 | 169.8 | -65.6 | -172.4 | 2.2 | 112.2 | N235 D251 P255 | N235-R253 WeakPolarHBondContact OD1-CD 3.47Å; D251-R253 PolarHBondContact O-N 3.26Å; D251-R253 VanDerWaalsContact O-N 3.08Å; D251-R253 VanDerWaalsContact OD1-CB 3.27Å; D251-R253 WeakPolarHBondContact OD1-CB 3.24Å; D251-R253 WeakPolarHBondContact OD1-CG 3.22Å; D251-R253 IonicContact OD1-CZ 3.51Å; D251-R253 PolarHBondContact OD1-N 2.83Å; D251-R253 IonicContact OD1-NE 2.71Å; D251-R253 PolarHBondContact OD1-NE 2.87Å; D251-R253 IonicContact OD1-NH2 2.8Å; D251-R253 IonicContact OD2-CZ 2.79Å; D251-R253 IonicContact OD2-NE 2.73Å; D251-R253 PolarHBondContact OD2-NE 3.47Å; D251-R253 IonicContact OD2-NH2 3.36Å; D251-R253 PolarHBondContact OD2-NH2 2.91Å; R253-P255 WeakPolarHBondContact O-CD 3.4Å |
| 254 | V | 92.8 | Very high | 95.2 | Very high | 77 Ų | 77 | 47.4 Ų | 47.4 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -124 | 72.6 | 179.2 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | D251 V252 | D251-V254 CarbonylContact O-C 3.54Å; D251-V254 VanDerWaalsContact O-C 3.31Å; D251-V254 PolarHBondContact O-N 3.49Å; V252-V254 VanDerWaalsContact C-N 3.34Å |
| 255 | P | 90.9 | Very high | 95.3 | Very high | 61 Ų | 61 | 47.2 Ų | 47.2 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 160.5 | -175.4 | 27.4 | -35.6 | 0 | 0 | 0 | 112.2 | I215 R253 T257 | I215-P255 HydrophobicContact CB-CB 4.48Å; R253-P255 WeakPolarHBondContact O-CD 3.4Å; P255-T257 PolarHBondContact O-N 2.87Å |
| 256 | C | 90.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 60% | 0.601 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | -13.7 | 179.2 | -50.5 | 0 | 0 | 0 | 0 | 115.9 | I215 | I215-C256 PolarHBondContact O-N 3.04Š|
| 257 | T | 92.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 51.1 Ų | 51.1 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -115.8 | 116.9 | -177.8 | -50.1 | 0 | 0 | 0 | 0 | 110.8 | P255 | P255-T257 PolarHBondContact O-N 2.87Š|
| 258 | P | 94.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 52.5 Ų | 52.5 | 26% | 0.26 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 139.1 | 173.8 | 29.8 | -34.3 | 0 | 0 | 0 | 110.7 | Y216 V248 I249 L250 | Y216-P258 HydrophobicContact CE2-CG 4.48Å; V248-P258 HydrophobicContact CG1-CB 3.45Å; V248-P258 VanDerWaalsContact CG1-CB 3.45Å; V248-P258 HydrophobicContact CG1-CG 4.42Å; I249-P258 CarbonylContact O-C 3.57Å; I249-P258 WeakPolarHBondContact O-CA 3.06Å; L250-P258 HydrophobicContact CD2-CB 4.08Å |
| 259 | V | 95.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -22.6 | 178.8 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | Y236 I249 D251 M299 | Y236-V259 HydrophobicContact CD1-CG2 4.24Å; Y236-V259 HydrophobicContact CE1-CG2 4.09Å; I249-V259 HydrophobicContact CB-CG2 4.12Å; I249-V259 HydrophobicContact CG2-CG2 3.78Å; I249-V259 VanDerWaalsContact O-CG2 3.32Å; I249-V259 WeakPolarHBondContact O-CG2 3.37Å; I249-V259 PolarHBondContact O-N 2.75Å; D251-V259 HydrophobicContact CB-CG1 3.65Å; V259-M299 HydrophobicContact CG2-SD 3.86Å |
| 260 | A | 95.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 11% | 0.107 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 159.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I249 M299 I303 | I249-A260 HydrophobicContact CB-CB 4.08Å; I249-A260 HydrophobicContact CG1-CB 4.16Å; I249-A260 PolarHBondContact N-O 2.88Å; I249-A260 PolarHBondContact O-N 3.32Å; A260-M299 HydrophobicContact CB-CG 4Å; A260-M299 HydrophobicContact CB-SD 3.78Å; A260-I303 HydrophobicContact CB-CD1 4.02Å |
| 261 | R | 95.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 33% | 0.332 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.4 | 168.1 | -67.6 | 179 | 174.6 | -89.5 | -9 | 107.7 | Y216 E246 V247 | Y216-R261 PolarHBondContact OH-NH2 2.78Å; E246-R261 IonicContact OE2-NH1 3.35Å; E246-R261 PolarHBondContact OE2-NH1 2.9Å; V247-R261 CarbonylContact O-C 3.59Å; V247-R261 WeakPolarHBondContact O-CA 3.21Å |
| 262 | L | 97.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.2 | 178.5 | -51.1 | 178.7 | 0 | 0 | 0 | 107.7 | E246 V247 I249 I282 T284 W294 I296 I303 | E246-L262 WeakPolarHBondContact CA-O 3.42Å; V247-L262 HydrophobicContact CB-CB 4.25Å; V247-L262 HydrophobicContact CB-CD1 4.31Å; V247-L262 HydrophobicContact CG1-CD1 4.39Å; V247-L262 PolarHBondContact N-O 3.25Å; V247-L262 VanDerWaalsContact N-O 3.07Å; V247-L262 PolarHBondContact O-N 2.82Å; I249-L262 HydrophobicContact CD1-CD1 4.08Å; I249-L262 HydrophobicContact CG1-CD1 4.36Å; I249-L262 HydrophobicContact CG1-CG 4.31Å; L262-I282 HydrophobicContact CD1-CG2 3.76Å; L262-T284 HydrophobicContact CD1-CG2 4.37Å; L262-W294 HydrophobicContact CB-CD2 4.05Å; L262-W294 HydrophobicContact CB-CE3 4.23Å; L262-W294 HydrophobicContact CB-CH2 4.01Å; L262-W294 HydrophobicContact CB-CZ2 3.91Å; L262-W294 HydrophobicContact CB-CZ3 4.2Å; L262-W294 HydrophobicContact CD1-CB 4.19Å; L262-W294 HydrophobicContact CD1-CD2 4.08Å; L262-W294 HydrophobicContact CD1-CG 3.79Å; L262-W294 HydrophobicContact CD2-CB 4.34Å; L262-W294 HydrophobicContact CD2-CD2 4.05Å; L262-W294 HydrophobicContact CD2-CE3 3.93Å; L262-W294 HydrophobicContact CD2-CG 4.25Å; L262-W294 HydrophobicContact CD2-CZ3 4.45Å; L262-W294 HydrophobicContact CG-CD2 4.28Å; L262-W294 HydrophobicContact CG-CG 4.45Å; L262-I296 HydrophobicContact CD2-CG2 4.35Å; L262-I303 HydrophobicContact CD2-CB 4.26Å; L262-I303 HydrophobicContact CD2-CD1 3.65Å; L262-I303 HydrophobicContact CD2-CG2 4.25Å |
| 263 | N | 95.3 | Very high | 95.6 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 44% | 0.439 | 28% | 0.28 | S | S | . | . | trans | -137.2 | 69.5 | -166.7 | 64.1 | -9.5 | 0 | 0 | 0 | 113.2 | E246 | E246-N263 HydrophobicContact CG-CB 3.75Å; E246-N263 VanDerWaalsContact OE1-CB 3.26Å; E246-N263 WeakPolarHBondContact OE1-CB 3.32Å; E246-N263 PolarHBondContact OE1-ND2 2.82Å | ||
| 264 | N | 96.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | trans | -123.4 | -5.7 | 169.5 | -84 | -62.4 | 0 | 0 | 0 | 114 | L292 W294 E304 P306 | N264-L292 HydrophobicContact CB-CD1 4.04Å; N264-W294 HydrophobicContact CB-CH2 3.58Å; N264-W294 HydrophobicContact CB-CZ2 4.23Å; N264-W294 HydrophobicContact CB-CZ3 4.44Å; N264-W294 WeakPolarHBondContact ND2-CH2 3.43Å; N264-E304 PolarHBondContact ND2-O 3.3Å; N264-P306 WeakPolarHBondContact ND2-CD 3.28Å | ||
| 265 | H | 97.9 | Very high | 96 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | trans | -68.8 | 144.5 | 176.5 | -77.2 | -64.9 | 0 | 0 | 0 | 111.3 | V269 T284 A286 D288 Q290 | H265-V269 HydrophobicContact CB-CG2 4.1Å; H265-T284 WeakPolarHBondContact NE2-CB 3.13Å; H265-T284 PolarHBondContact NE2-OG1 3.34Å; H265-A286 HydrophobicContact CB-CB 4.18Å; H265-A286 VanDerWaalsContact ND1-CB 3.26Å; H265-A286 WeakPolarHBondContact ND1-CB 3.32Å; H265-D288 WeakPolarHBondContact CA-OD2 3.38Å; H265-D288 WeakPolarHBondContact CB-OD2 3.49Å; H265-D288 IonicContact CE1-OD1 3.2Å; H265-D288 IonicContact CG-OD2 3.91Å; H265-D288 IonicContact ND1-OD1 2.69Å; H265-D288 PolarHBondContact ND1-OD1 3.03Å; H265-D288 IonicContact ND1-OD2 2.83Å; H265-D288 PolarHBondContact ND1-OD2 3.34Å; H265-Q290 PolarHBondContact CE1-O 2.92Å | ||
| 266 | R | 97.6 | Very high | 96.2 | Very high | 213 Ų | 213 | 42.2 Ų | 42.2 | 80% | 0.804 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -105.1 | 4.8 | -179.7 | -61.9 | -174.8 | -176.4 | -83.5 | -5.1 | 113.2 | M245 D288 | M245-R266 VanDerWaalsContact CE-CA 3.48Å; M245-R266 WeakPolarHBondContact CE-O 3.46Å; R266-D288 HydrophobicContact CB-CB 4.07Å; R266-D288 PolarHBondContact N-OD2 3.21Å |
| 267 | A | 98 | Very high | 96.4 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -151.9 | -174.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | D287 D288 | A267-D287 HydrophobicContact CB-CB 3.58Å; A267-D288 HydrophobicContact CB-CB 3.99Å |
| 268 | C | 97.7 | Very high | 96.5 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | trans | -61.7 | 134.8 | -175.1 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | D243 G244 A286 D287 | D243-C268 VanDerWaalsContact CA-SG 3.54Å; G244-C268 WeakPolarHBondContact O-CA 3.36Å; C268-A286 CarbonylContact O-C 3.21Å; C268-A286 WeakPolarHBondContact O-CA 3.23Å; C268-A286 WeakPolarHBondContact O-CB 3.28Å; C268-D287 PolarHBondContact O-N 2.92Å | ||
| 269 | V | 98.2 | Very high | 96.6 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.8 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | M240 G244 V247 H265 A285 A286 | M240-V269 WeakPolarHBondContact CE-O 3.47Å; M240-V269 HydrophobicContact SD-CB 4.12Å; M240-V269 HydrophobicContact SD-CG1 3.73Å; G244-V269 PolarHBondContact O-N 2.79Å; V247-V269 HydrophobicContact CG2-CB 4.44Å; V247-V269 HydrophobicContact CG2-CG1 3.8Å; V247-V269 HydrophobicContact CG2-CG2 4.39Å; H265-V269 HydrophobicContact CB-CG2 4.1Å; V269-A285 WeakPolarHBondContact CG1-O 3.42Å; V269-A286 HydrophobicContact CG2-CB 4.44Å |
| 270 | N | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 26% | 0.257 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -20.6 | -176.6 | -62 | -41.9 | 0 | 0 | 0 | 113.5 | M240 A285 D287 I316 | M240-N270 WeakPolarHBondContact CE-O 3.34Å; N270-A285 PolarHBondContact N-O 3.14Å; N270-D287 PolarHBondContact ND2-OD1 2.89Å; N270-I316 WeakPolarHBondContact CB-O 3.46Å; N270-I316 PolarHBondContact ND2-O 3.46Å |
| 271 | G | 96.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 144.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | T284 A285 V319 | G271-T284 CarbonylContact O-C 3.53Å; G271-T284 WeakPolarHBondContact O-CA 3.28Å; G271-A285 PolarHBondContact N-O 2.9Å; G271-A285 VanDerWaalsContact N-O 3.13Å; G271-A285 PolarHBondContact O-N 2.99Å; G271-V319 VanDerWaalsContact C-CG1 3.49Å |
| 272 | I | 98 | Very high | 96.9 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.077 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 130.6 | 177.8 | -53.9 | 169.5 | 0 | 0 | 0 | 108.3 | C228 A238 M240 V247 I282 C283 | C228-I272 HydrophobicContact CB-CB 4.4Å; C228-I272 HydrophobicContact CB-CG2 4.15Å; A238-I272 HydrophobicContact CB-CD1 4.4Å; A238-I272 HydrophobicContact CB-CG2 3.9Å; M240-I272 HydrophobicContact CB-CD1 4Å; M240-I272 HydrophobicContact CG-CD1 3.93Å; M240-I272 HydrophobicContact SD-CD1 3.62Å; M240-I272 HydrophobicContact SD-CG1 3.69Å; V247-I272 HydrophobicContact CG1-CD1 3.78Å; V247-I272 HydrophobicContact CG1-CG1 4.33Å; V247-I272 HydrophobicContact CG2-CD1 4.03Å; V247-I272 HydrophobicContact CG2-CG1 4.04Å; I272-I282 HydrophobicContact CG2-CD1 3.49Å; I272-I282 VanDerWaalsContact CG2-CD1 3.49Å; I272-I282 HydrophobicContact CG2-CG1 3.89Å; I272-C283 CarbonylContact C-O 3.51Å; I272-C283 WeakPolarHBondContact CA-O 3.5Å |
| 273 | A | 97.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 5% | 0.05 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 117 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C283 V319 W321 | A273-C283 PolarHBondContact N-O 2.97Å; A273-C283 PolarHBondContact O-N 3.33Å; A273-V319 HydrophobicContact CB-CG1 4.21Å; A273-V319 HydrophobicContact CB-CG2 4.49Å; A273-W321 HydrophobicContact CB-CB 4.44Å |
| 274 | W | 97.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 33.5 Ų | 33.5 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142.4 | 171.1 | -70.6 | 94.9 | 0 | 0 | 0 | 111.3 | C228 W229 N230 A238 I249 I282 I296 | C228-W274 PolarHBondContact O-NE1 2.78Å; W229-W274 VanDerWaalsContact O-CD1 3.23Å; N230-W274 HydrophobicContact CB-CD2 3.64Å; N230-W274 HydrophobicContact CB-CE3 3.76Å; N230-W274 HydrophobicContact CB-CG 4.13Å; N230-W274 HydrophobicContact CB-CH2 4.12Å; N230-W274 HydrophobicContact CB-CZ2 4.01Å; N230-W274 HydrophobicContact CB-CZ3 4Å; N230-W274 WeakPolarHBondContact ND2-CZ3 3.41Å; A238-W274 HydrophobicContact CB-CZ2 3.89Å; I249-W274 HydrophobicContact CD1-CH2 4.27Å; I249-W274 HydrophobicContact CD1-CZ2 4.11Å; I249-W274 HydrophobicContact CG2-CH2 4.23Å; I249-W274 HydrophobicContact CG2-CZ2 4.47Å; W274-I282 HydrophobicContact CD2-CB 4.19Å; W274-I282 HydrophobicContact CD2-CD1 3.85Å; W274-I282 HydrophobicContact CD2-CG1 4.03Å; W274-I282 HydrophobicContact CE3-CB 3.91Å; W274-I282 HydrophobicContact CE3-CD1 4.28Å; W274-I282 HydrophobicContact CE3-CG1 4.28Å; W274-I282 HydrophobicContact CG-CD1 4.38Å; W274-I282 HydrophobicContact CG-CG1 4.33Å; W274-I282 HydrophobicContact CH2-CD1 4.22Å; W274-I282 HydrophobicContact CZ2-CD1 3.78Å; W274-I282 HydrophobicContact CZ3-CB 4.2Å; W274-I282 HydrophobicContact CZ3-CD1 4.45Å; W274-I296 HydrophobicContact CH2-CD1 3.33Å; W274-I296 HydrophobicContact CZ3-CD1 3.34Å; W274-I296 HydrophobicContact CZ3-CG1 4.42Å |
| 275 | A | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | trans | -67.9 | 132.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H277 S278 H281 W321 | A275-H277 PolarHBondContact O-N 2.81Å; A275-S278 VanDerWaalsContact O-O 3.06Å; A275-H281 HydrophobicContact CB-CB 3.6Å; A275-H281 WeakPolarHBondContact CB-O 3.28Å; A275-H281 PolarHBondContact N-O 2.79Å; A275-W321 HydrophobicContact CB-CD2 4.18Å; A275-W321 HydrophobicContact CB-CE3 4Å; A275-W321 HydrophobicContact CB-CH2 3.85Å; A275-W321 HydrophobicContact CB-CZ2 4.04Å; A275-W321 HydrophobicContact CB-CZ3 3.82Å | ||
| 276 | P | 94.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -15.3 | 179.7 | 29.5 | -34.9 | 0 | 0 | 0 | 112.6 | Q232 W321 P326 | Q232-P276 PolarHBondContact NE2-O 3.42Å; P276-W321 HydrophobicContact CG-CB 4.5Å; P276-W321 HydrophobicContact CG-CG 4.08Å; P276-P326 HydrophobicContact CG-CB 3.94Å |
| 277 | H | 93.7 | Very high | 97.2 | Very high | 96 Ų | 96 | 22.1 Ų | 22.1 | 44% | 0.444 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -4.3 | -176.7 | 64.9 | -96 | 0 | 0 | 0 | 113.9 | A275 H281 W321 P326 | A275-H277 PolarHBondContact O-N 2.81Å; H277-H281 AromaticContact NE2-ND1 3.9Å; H277-W321 AromaticContact CE1-CZ2 3.6Å; H277-P326 HydrophobicContact CB-CB 3.8Å; H277-P326 PolarHBondContact CE1-O 3.05Å; H277-P326 PolarHBondContact ND1-O 3.22Å; H277-P326 VanDerWaalsContact ND1-O 3.13Å |
| 278 | S | 96 | Very high | 97.2 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 15% | 0.147 | 13% | 0.127 | C | C | . | . | trans | -142.7 | 131.8 | -176.5 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | A275 C280 H281 | A275-S278 VanDerWaalsContact O-O 3.06Å; S278-C280 PolarHBondContact O-N 3.06Å; S278-C280 PolarHBondContact OG-N 3.49Å; S278-C280 VanDerWaalsContact OG-N 3.1Å; S278-H281 PolarHBondContact OG-N 2.92Å; S278-H281 PolarHBondContact OG-ND1 3.36Å | ||
| 279 | S | 95.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 24.4 Ų | 24.4 | 36% | 0.364 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -74.4 | -9 | 171.2 | 57.3 | 0 | 0 | 0 | 0 | 113 | N230 | N230-S279 PolarHBondContact ND2-O 3.43Š|
| 280 | C | 96.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 26.3 Ų | 26.3 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -113.6 | -4 | -174.2 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | S278 D295 I296 Q297 | S278-C280 PolarHBondContact O-N 3.06Å; S278-C280 PolarHBondContact OG-N 3.49Å; S278-C280 VanDerWaalsContact OG-N 3.1Å; C280-D295 WeakPolarHBondContact O-CA 3.39Å; C280-I296 HydrophobicContact CB-CG1 4.36Å; C280-I296 WeakPolarHBondContact O-CG1 3.23Å; C280-I296 PolarHBondContact O-N 3.05Å; C280-Q297 HydrophobicContact CB-CB 4.06Å |
| 281 | H | 97.4 | Very high | 97.3 | Very high | 48 Ų | 48 | 24.2 Ų | 24.2 | 22% | 0.222 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.3 | -179.6 | -60.7 | 160.2 | 0 | 0 | 0 | 111.7 | A275 H277 S278 W294 | A275-H281 HydrophobicContact CB-CB 3.6Å; A275-H281 WeakPolarHBondContact CB-O 3.28Å; A275-H281 PolarHBondContact N-O 2.79Å; H277-H281 AromaticContact NE2-ND1 3.9Å; S278-H281 PolarHBondContact OG-N 2.92Å; S278-H281 PolarHBondContact OG-ND1 3.36Å; H281-W294 WeakPolarHBondContact CA-O 3.39Å |
| 282 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 138.6 | 176.4 | -171 | 175.1 | 0 | 0 | 0 | 109.1 | A238 I249 L262 I272 W274 I293 W294 I296 | A238-I282 HydrophobicContact CB-CD1 3.67Å; I249-I282 HydrophobicContact CD1-CD1 3.96Å; L262-I282 HydrophobicContact CD1-CG2 3.76Å; I272-I282 HydrophobicContact CG2-CD1 3.49Å; I272-I282 VanDerWaalsContact CG2-CD1 3.49Å; I272-I282 HydrophobicContact CG2-CG1 3.89Å; W274-I282 HydrophobicContact CD2-CB 4.19Å; W274-I282 HydrophobicContact CD2-CD1 3.85Å; W274-I282 HydrophobicContact CD2-CG1 4.03Å; W274-I282 HydrophobicContact CE3-CB 3.91Å; W274-I282 HydrophobicContact CE3-CD1 4.28Å; W274-I282 HydrophobicContact CE3-CG1 4.28Å; W274-I282 HydrophobicContact CG-CD1 4.38Å; W274-I282 HydrophobicContact CG-CG1 4.33Å; W274-I282 HydrophobicContact CH2-CD1 4.22Å; W274-I282 HydrophobicContact CZ2-CD1 3.78Å; W274-I282 HydrophobicContact CZ3-CB 4.2Å; W274-I282 HydrophobicContact CZ3-CD1 4.45Å; I282-I293 WeakPolarHBondContact O-CA 3.24Å; I282-W294 HydrophobicContact CG2-CB 3.78Å; I282-W294 HydrophobicContact CG2-CG 4.27Å; I282-W294 PolarHBondContact N-O 2.93Å; I282-W294 PolarHBondContact O-N 3.32Å; I282-I296 HydrophobicContact CG2-CG2 4.14Å |
| 283 | C | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135.8 | 172.8 | -168.6 | 0 | 0 | 0 | 0 | 109.6 | I272 A273 L292 V319 W321 I329 | I272-C283 CarbonylContact C-O 3.51Å; I272-C283 WeakPolarHBondContact CA-O 3.5Å; A273-C283 PolarHBondContact N-O 2.97Å; A273-C283 PolarHBondContact O-N 3.33Å; C283-L292 CarbonylContact C-O 3.55Å; C283-L292 VanDerWaalsContact CA-O 3.27Å; C283-L292 WeakPolarHBondContact CA-O 3.45Å; C283-V319 HydrophobicContact CB-CG2 4.39Å; C283-W321 HydrophobicContact CB-CE3 4.04Å; C283-W321 HydrophobicContact CB-CZ3 3.82Å; C283-I329 HydrophobicContact CB-CD1 4.08Å |
| 284 | T | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150 | 170.6 | 61.2 | 0 | 0 | 0 | 0 | 109.6 | V247 L262 H265 G271 A291 L292 W294 | V247-T284 HydrophobicContact CB-CG2 4.24Å; V247-T284 HydrophobicContact CG2-CG2 3.62Å; L262-T284 HydrophobicContact CD1-CG2 4.37Å; H265-T284 WeakPolarHBondContact NE2-CB 3.13Å; H265-T284 PolarHBondContact NE2-OG1 3.34Å; G271-T284 CarbonylContact O-C 3.53Å; G271-T284 WeakPolarHBondContact O-CA 3.28Å; T284-A291 CarbonylContact O-C 3.58Å; T284-A291 VanDerWaalsContact O-CA 3.29Å; T284-A291 WeakPolarHBondContact O-CA 3.42Å; T284-L292 PolarHBondContact N-O 3.35Å; T284-L292 PolarHBondContact O-N 3.28Å; T284-W294 PolarHBondContact OG1-NE1 2.72Å |
| 285 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V269 N270 G271 Q290 A291 I316 V319 | V269-A285 WeakPolarHBondContact CG1-O 3.42Å; N270-A285 PolarHBondContact N-O 3.14Å; G271-A285 PolarHBondContact N-O 2.9Å; G271-A285 VanDerWaalsContact N-O 3.13Å; G271-A285 PolarHBondContact O-N 2.99Å; A285-Q290 WeakPolarHBondContact CA-O 3.42Å; A285-A291 HydrophobicContact CB-CB 4.5Å; A285-I316 HydrophobicContact CB-CB 3.91Å; A285-I316 HydrophobicContact CB-CD1 4.35Å; A285-I316 HydrophobicContact CB-CG2 3.48Å; A285-I316 VanDerWaalsContact CB-CG2 3.48Å; A285-V319 HydrophobicContact CB-CB 3.89Å; A285-V319 HydrophobicContact CB-CG1 3.92Å |
| 286 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 173.7 | -166 | 0 | 0 | 0 | 0 | 0 | 113.9 | H265 C268 V269 D288 H289 Q290 I316 | H265-A286 HydrophobicContact CB-CB 4.18Å; H265-A286 VanDerWaalsContact ND1-CB 3.26Å; H265-A286 WeakPolarHBondContact ND1-CB 3.32Å; C268-A286 CarbonylContact O-C 3.21Å; C268-A286 WeakPolarHBondContact O-CA 3.23Å; C268-A286 WeakPolarHBondContact O-CB 3.28Å; V269-A286 HydrophobicContact CG2-CB 4.44Å; A286-D288 WeakPolarHBondContact CB-OD1 3.43Å; A286-D288 PolarHBondContact O-N 2.78Å; A286-H289 PolarHBondContact O-N 3.33Å; A286-Q290 PolarHBondContact N-O 2.57Å; A286-I316 PolarHBondContact O-N 3.22Å; A286-I316 VanDerWaalsContact O-N 3.13Å |
| 287 | D | 98.3 | Very high | 97.2 | Very high | 44 Ų | 44 | 30.7 Ų | 30.7 | 24% | 0.235 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -8.9 | 175.1 | -70.9 | -19 | 0 | 0 | 0 | 113.6 | A267 C268 N270 H289 E315 | A267-D287 HydrophobicContact CB-CB 3.58Å; C268-D287 PolarHBondContact O-N 2.92Å; N270-D287 PolarHBondContact ND2-OD1 2.89Å; D287-H289 PolarHBondContact O-CD2 3.42Å; D287-H289 VanDerWaalsContact O-CD2 3.25Å; D287-H289 PolarHBondContact O-N 3.45Å; D287-E315 HydrophobicContact CB-CG 4.13Å; D287-E315 WeakPolarHBondContact O-CG 3.44Å |
| 288 | D | 98.3 | Very high | 97 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 17% | 0.166 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 12.1 | 174.1 | 63.3 | 5.3 | 0 | 0 | 0 | 112.7 | H265 R266 A267 A286 Q290 | H265-D288 WeakPolarHBondContact CA-OD2 3.38Å; H265-D288 WeakPolarHBondContact CB-OD2 3.49Å; H265-D288 IonicContact CE1-OD1 3.2Å; H265-D288 IonicContact CG-OD2 3.91Å; H265-D288 IonicContact ND1-OD1 2.69Å; H265-D288 PolarHBondContact ND1-OD1 3.03Å; H265-D288 IonicContact ND1-OD2 2.83Å; H265-D288 PolarHBondContact ND1-OD2 3.34Å; R266-D288 HydrophobicContact CB-CB 4.07Å; R266-D288 PolarHBondContact N-OD2 3.21Å; A267-D288 HydrophobicContact CB-CB 3.99Å; A286-D288 WeakPolarHBondContact CB-OD1 3.43Å; A286-D288 PolarHBondContact O-N 2.78Å; D288-Q290 PolarHBondContact O-N 2.82Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.4Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.49Å; D288-Q290 PolarHBondContact OD1-N 3.13Å |
| 289 | H | 98.3 | Very high | 96.7 | Very high | 70 Ų | 70 | 32.3 Ų | 32.3 | 32% | 0.324 | 17% | 0.165 | S | C | . | . | S | Bend | trans | 63.3 | 11.5 | -175.2 | -45.7 | 177.1 | 0 | 0 | 0 | 113.4 | A286 D287 T311 A312 G314 E315 | A286-H289 PolarHBondContact O-N 3.33Å; D287-H289 PolarHBondContact O-CD2 3.42Å; D287-H289 VanDerWaalsContact O-CD2 3.25Å; D287-H289 PolarHBondContact O-N 3.45Å; H289-T311 HydrophobicContact CB-CG2 4.45Å; H289-T311 CarbonylContact O-C 3.49Å; H289-T311 WeakPolarHBondContact O-CA 3.3Å; H289-A312 PolarHBondContact O-N 2.69Å; H289-G314 WeakPolarHBondContact CA-O 3.45Å; H289-G314 WeakPolarHBondContact CB-O 3.33Å; H289-E315 PolarHBondContact CD2-N 2.83Å; H289-E315 VanDerWaalsContact CD2-N 3.29Å |
| 290 | Q | 98.2 | Very high | 96 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 20% | 0.201 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.4 | -179.1 | -60.7 | -65.8 | -66.8 | 0 | 0 | 112 | H265 A285 A286 D288 L292 Y310 T311 | H265-Q290 PolarHBondContact CE1-O 2.92Å; A285-Q290 WeakPolarHBondContact CA-O 3.42Å; A286-Q290 PolarHBondContact N-O 2.57Å; D288-Q290 PolarHBondContact O-N 2.82Å; D288-Q290 WeakPolarHBondContact OD1-CA 3.4Å; D288-Q290 WeakPolarHBondContact OD1-CB 3.49Å; D288-Q290 PolarHBondContact OD1-N 3.13Å; Q290-L292 HydrophobicContact CB-CD2 3.92Å; Q290-L292 HydrophobicContact CB-CG 4.09Å; Q290-L292 HydrophobicContact CG-CD2 4.44Å; Q290-Y310 CarbonylContact C-O 3.59Å; Q290-Y310 VanDerWaalsContact CA-O 3.32Å; Q290-Y310 WeakPolarHBondContact CA-O 3.35Å; Q290-T311 PolarHBondContact NE2-OG1 2.8Å |
| 291 | A | 98.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | T284 A285 A309 Y310 I316 I331 | T284-A291 CarbonylContact O-C 3.58Å; T284-A291 VanDerWaalsContact O-CA 3.29Å; T284-A291 WeakPolarHBondContact O-CA 3.42Å; A285-A291 HydrophobicContact CB-CB 4.5Å; A291-A309 WeakPolarHBondContact O-CA 3.41Å; A291-Y310 PolarHBondContact N-O 2.76Å; A291-Y310 PolarHBondContact O-N 3.42Å; A291-I316 HydrophobicContact CB-CD1 3.95Å; A291-I331 HydrophobicContact CB-CG2 4.29Å |
| 292 | L | 98.3 | Very high | 95 | Very high | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.8 | -176 | -57.9 | -177.4 | 0 | 0 | 0 | 110.1 | N264 C283 T284 Q290 W294 P306 L308 A309 | N264-L292 HydrophobicContact CB-CD1 4.04Å; C283-L292 CarbonylContact C-O 3.55Å; C283-L292 VanDerWaalsContact CA-O 3.27Å; C283-L292 WeakPolarHBondContact CA-O 3.45Å; T284-L292 PolarHBondContact N-O 3.35Å; T284-L292 PolarHBondContact O-N 3.28Å; Q290-L292 HydrophobicContact CB-CD2 3.92Å; Q290-L292 HydrophobicContact CB-CG 4.09Å; Q290-L292 HydrophobicContact CG-CD2 4.44Å; L292-W294 HydrophobicContact CB-CZ2 4.17Å; L292-W294 HydrophobicContact CD1-CH2 4.4Å; L292-W294 HydrophobicContact CD1-CZ2 3.69Å; L292-W294 PolarHBondContact O-NE1 3.11Å; L292-P306 HydrophobicContact CB-CB 3.99Å; L292-P306 HydrophobicContact CB-CG 4.41Å; L292-P306 HydrophobicContact CD1-CG 4.3Å; L292-P306 HydrophobicContact CD2-CB 4.44Å; L292-P306 HydrophobicContact CD2-CG 4.05Å; L292-P306 HydrophobicContact CG-CG 4.48Å; L292-L308 WeakPolarHBondContact CA-O 3.42Å; L292-A309 HydrophobicContact CD2-CB 3.51Å |
| 293 | I | 98.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.2 | 171.6 | -54.1 | -179.1 | 0 | 0 | 0 | 108.7 | I282 P306 I307 L308 W321 I329 V342 | I282-I293 WeakPolarHBondContact O-CA 3.24Å; I293-P306 CarbonylContact O-C 3.47Å; I293-P306 WeakPolarHBondContact O-CA 3.28Å; I293-P306 VanDerWaalsContact O-CB 3.28Å; I293-P306 WeakPolarHBondContact O-CB 3.48Å; I293-I307 HydrophobicContact CB-CG1 4.24Å; I293-I307 HydrophobicContact CG2-CD1 4.01Å; I293-I307 HydrophobicContact CG2-CG1 3.97Å; I293-I307 VanDerWaalsContact O-CG1 3.26Å; I293-I307 WeakPolarHBondContact O-CG1 3.43Å; I293-I307 PolarHBondContact O-N 3.03Å; I293-L308 HydrophobicContact CB-CB 4.07Å; I293-L308 HydrophobicContact CD1-CB 4.19Å; I293-L308 HydrophobicContact CD1-CD2 3.92Å; I293-L308 HydrophobicContact CD1-CG 4.46Å; I293-L308 HydrophobicContact CG1-CB 4.3Å; I293-L308 HydrophobicContact CG1-CD2 4.26Å; I293-L308 PolarHBondContact N-O 3.19Å; I293-L308 PolarHBondContact O-N 2.94Å; I293-W321 HydrophobicContact CD1-CH2 4.13Å; I293-W321 HydrophobicContact CG2-CH2 4.41Å; I293-I329 HydrophobicContact CD1-CD1 3.95Å; I293-I329 HydrophobicContact CG1-CD1 4.4Å; I293-V342 HydrophobicContact CD1-CB 3.92Å; I293-V342 HydrophobicContact CD1-CG1 3.78Å; I293-V342 HydrophobicContact CD1-CG2 4.5Å |
| 294 | W | 97.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.1 | -177.1 | -51.5 | 84.1 | 0 | 0 | 0 | 110.3 | L262 N264 H281 I282 T284 L292 I303 P306 | L262-W294 HydrophobicContact CB-CD2 4.05Å; L262-W294 HydrophobicContact CB-CE3 4.23Å; L262-W294 HydrophobicContact CB-CH2 4.01Å; L262-W294 HydrophobicContact CB-CZ2 3.91Å; L262-W294 HydrophobicContact CB-CZ3 4.2Å; L262-W294 HydrophobicContact CD1-CB 4.19Å; L262-W294 HydrophobicContact CD1-CD2 4.08Å; L262-W294 HydrophobicContact CD1-CG 3.79Å; L262-W294 HydrophobicContact CD2-CB 4.34Å; L262-W294 HydrophobicContact CD2-CD2 4.05Å; L262-W294 HydrophobicContact CD2-CE3 3.93Å; L262-W294 HydrophobicContact CD2-CG 4.25Å; L262-W294 HydrophobicContact CD2-CZ3 4.45Å; L262-W294 HydrophobicContact CG-CD2 4.28Å; L262-W294 HydrophobicContact CG-CG 4.45Å; N264-W294 HydrophobicContact CB-CH2 3.58Å; N264-W294 HydrophobicContact CB-CZ2 4.23Å; N264-W294 HydrophobicContact CB-CZ3 4.44Å; N264-W294 WeakPolarHBondContact ND2-CH2 3.43Å; H281-W294 WeakPolarHBondContact CA-O 3.39Å; I282-W294 HydrophobicContact CG2-CB 3.78Å; I282-W294 HydrophobicContact CG2-CG 4.27Å; I282-W294 PolarHBondContact N-O 2.93Å; I282-W294 PolarHBondContact O-N 3.32Å; T284-W294 PolarHBondContact OG1-NE1 2.72Å; L292-W294 HydrophobicContact CB-CZ2 4.17Å; L292-W294 HydrophobicContact CD1-CH2 4.4Å; L292-W294 HydrophobicContact CD1-CZ2 3.69Å; L292-W294 PolarHBondContact O-NE1 3.11Å; W294-I303 HydrophobicContact CE3-CG2 3.86Å; W294-I303 HydrophobicContact CZ3-CG2 4.37Å; W294-P306 HydrophobicContact CD2-CB 4.1Å; W294-P306 HydrophobicContact CE3-CB 4.1Å; W294-P306 HydrophobicContact CZ3-CB 4.4Å |
| 295 | D | 96.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 116.1 | 165.8 | -178.7 | 4.6 | 0 | 0 | 0 | 109.6 | C280 Q297 I307 | C280-D295 WeakPolarHBondContact O-CA 3.39Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.35Å; D295-Q297 PolarHBondContact OD1-N 3.2Å; D295-I307 HydrophobicContact CB-CD1 4.23Å; D295-I307 HydrophobicContact CB-CG2 3.73Å |
| 296 | I | 95.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | trans | -100.5 | 11.2 | -178.4 | 76.1 | 176.1 | 0 | 0 | 0 | 112.9 | I249 L262 W274 C280 I282 Q298 M299 I303 | I249-I296 HydrophobicContact CG2-CD1 4.41Å; L262-I296 HydrophobicContact CD2-CG2 4.35Å; W274-I296 HydrophobicContact CH2-CD1 3.33Å; W274-I296 HydrophobicContact CZ3-CD1 3.34Å; W274-I296 HydrophobicContact CZ3-CG1 4.42Å; C280-I296 HydrophobicContact CB-CG1 4.36Å; C280-I296 WeakPolarHBondContact O-CG1 3.23Å; C280-I296 PolarHBondContact O-N 3.05Å; I282-I296 HydrophobicContact CG2-CG2 4.14Å; I296-Q298 PolarHBondContact O-N 3.01Å; I296-Q298 VanDerWaalsContact O-N 3.13Å; I296-M299 HydrophobicContact CB-CE 3.82Å; I296-M299 HydrophobicContact CB-CG 4.04Å; I296-M299 HydrophobicContact CB-SD 3.86Å; I296-M299 HydrophobicContact CD1-CE 3.31Å; I296-M299 HydrophobicContact CD1-SD 3.92Å; I296-M299 HydrophobicContact CG1-CE 3.49Å; I296-M299 VanDerWaalsContact CG1-CE 3.49Å; I296-M299 HydrophobicContact CG1-SD 4.17Å; I296-M299 WeakPolarHBondContact O-CB 3.21Å; I296-M299 WeakPolarHBondContact O-CE 3.38Å; I296-M299 WeakPolarHBondContact O-CG 3.31Å; I296-M299 PolarHBondContact O-N 2.84Å; I296-M299 VanDerWaalsContact O-N 3.11Å; I296-I303 HydrophobicContact CB-CD1 3.73Å; I296-I303 HydrophobicContact CG2-CD1 3.53Å | ||
| 297 | Q | 93.8 | Very high | 93.6 | Very high | 142 Ų | 142 | 62.5 Ų | 62.5 | 66% | 0.664 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.8 | -178.1 | -175.2 | 178.5 | 24.1 | 0 | 0 | 113.1 | C280 D295 M299 | C280-Q297 HydrophobicContact CB-CB 4.06Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.35Å; D295-Q297 PolarHBondContact OD1-N 3.2Å; Q297-M299 VanDerWaalsContact C-N 3.28Å; Q297-M299 PolarHBondContact O-N 3.45Å |
| 298 | Q | 88.9 | Confident | 93.5 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 3.5 | -177.2 | -60.1 | -170.1 | 28.3 | 0 | 0 | 114.1 | I296 R301 | I296-Q298 PolarHBondContact O-N 3.01Å; I296-Q298 VanDerWaalsContact O-N 3.13Å; Q298-R301 HydrophobicContact CB-CB 4.25Å; Q298-R301 WeakPolarHBondContact O-CA 3.43Å; Q298-R301 WeakPolarHBondContact O-CB 3.3Å; Q298-R301 PolarHBondContact O-N 3.49Å; Q298-R301 VanDerWaalsContact OE1-NH1 3.15Å |
| 299 | M | 89.6 | Confident | 93.4 | Very high | 37 Ų | 37 | 65 Ų | 65 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 139.9 | 176 | -75.8 | -174.6 | -53.1 | 0 | 0 | 111.9 | Y236 I249 V259 A260 I296 Q297 I303 | Y236-M299 HydrophobicContact CD1-CE 4.29Å; Y236-M299 HydrophobicContact CE1-CE 3.94Å; I249-M299 HydrophobicContact CG2-SD 4.05Å; V259-M299 HydrophobicContact CG2-SD 3.86Å; A260-M299 HydrophobicContact CB-CG 4Å; A260-M299 HydrophobicContact CB-SD 3.78Å; I296-M299 HydrophobicContact CB-CE 3.82Å; I296-M299 HydrophobicContact CB-CG 4.04Å; I296-M299 HydrophobicContact CB-SD 3.86Å; I296-M299 HydrophobicContact CD1-CE 3.31Å; I296-M299 HydrophobicContact CD1-SD 3.92Å; I296-M299 HydrophobicContact CG1-CE 3.49Å; I296-M299 VanDerWaalsContact CG1-CE 3.49Å; I296-M299 HydrophobicContact CG1-SD 4.17Å; I296-M299 WeakPolarHBondContact O-CB 3.21Å; I296-M299 WeakPolarHBondContact O-CE 3.38Å; I296-M299 WeakPolarHBondContact O-CG 3.31Å; I296-M299 PolarHBondContact O-N 2.84Å; I296-M299 VanDerWaalsContact O-N 3.11Å; Q297-M299 VanDerWaalsContact C-N 3.28Å; Q297-M299 PolarHBondContact O-N 3.45Å; M299-I303 HydrophobicContact CG-CD1 4.15Å |
| 300 | P | 82.1 | Confident | 93.4 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 77% | 0.766 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -89.1 | 14.5 | 8.5 | 37.3 | -37.3 | 0 | 0 | 0 | 114.1 | A302 | P300-A302 PolarHBondContact O-N 3.14Š|
| 301 | R | 86.8 | Confident | 93.4 | Very high | 166 Ų | 166 | 66.5 Ų | 66.5 | 63% | 0.626 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -60.1 | 140.8 | 171.9 | -168.3 | -177.8 | 179.2 | -179.4 | 1.5 | 109 | Q298 I303 | Q298-R301 HydrophobicContact CB-CB 4.25Å; Q298-R301 WeakPolarHBondContact O-CA 3.43Å; Q298-R301 WeakPolarHBondContact O-CB 3.3Å; Q298-R301 PolarHBondContact O-N 3.49Å; Q298-R301 VanDerWaalsContact OE1-NH1 3.15Å; R301-I303 PolarHBondContact O-N 3.1Å |
| 302 | A | 84.8 | Confident | 93.3 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 61% | 0.612 | 36% | 0.355 | S | S | * | . | trans | -54.8 | 135.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P300 | P300-A302 PolarHBondContact O-N 3.14Š| ||
| 303 | I | 90.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.087 | 39% | 0.385 | C | S | . | . | trans | -96.9 | 102.7 | 175.6 | -58.9 | 159.7 | 0 | 0 | 0 | 105.6 | A260 L262 W294 I296 M299 R301 | A260-I303 HydrophobicContact CB-CD1 4.02Å; L262-I303 HydrophobicContact CD2-CB 4.26Å; L262-I303 HydrophobicContact CD2-CD1 3.65Å; L262-I303 HydrophobicContact CD2-CG2 4.25Å; W294-I303 HydrophobicContact CE3-CG2 3.86Å; W294-I303 HydrophobicContact CZ3-CG2 4.37Å; I296-I303 HydrophobicContact CB-CD1 3.73Å; I296-I303 HydrophobicContact CG2-CD1 3.53Å; M299-I303 HydrophobicContact CG-CD1 4.15Å; R301-I303 PolarHBondContact O-N 3.1Å | ||
| 304 | E | 86.3 | Confident | 93.2 | Very high | 146 Ų | 146 | 72.6 Ų | 72.6 | 68% | 0.682 | 38% | 0.384 | S | S | * | . | trans | -81.5 | -38.2 | -171.8 | -66.6 | -178.4 | 177.8 | 0 | 0 | 112.2 | N264 | N264-E304 PolarHBondContact ND2-O 3.3Š| ||
| 305 | D | 92.7 | Very high | 93.2 | Very high | 112 Ų | 112 | 77.3 Ų | 77.3 | 60% | 0.599 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -135.6 | 146.2 | -173.8 | -68.2 | -67.5 | 0 | 0 | 0 | 111.8 | ||
| 306 | P | 96.3 | Very high | 93.3 | Very high | 31 Ų | 31 | 75.2 Ų | 75.2 | 20% | 0.201 | 40% | 0.395 | C | S | . | . | trans | -67 | 150.7 | 166.9 | 31.8 | -36.1 | 0 | 0 | 0 | 110.6 | N264 L292 I293 W294 | N264-P306 WeakPolarHBondContact ND2-CD 3.28Å; L292-P306 HydrophobicContact CB-CB 3.99Å; L292-P306 HydrophobicContact CB-CG 4.41Å; L292-P306 HydrophobicContact CD1-CG 4.3Å; L292-P306 HydrophobicContact CD2-CB 4.44Å; L292-P306 HydrophobicContact CD2-CG 4.05Å; L292-P306 HydrophobicContact CG-CG 4.48Å; I293-P306 CarbonylContact O-C 3.47Å; I293-P306 WeakPolarHBondContact O-CA 3.28Å; I293-P306 VanDerWaalsContact O-CB 3.28Å; I293-P306 WeakPolarHBondContact O-CB 3.48Å; W294-P306 HydrophobicContact CD2-CB 4.1Å; W294-P306 HydrophobicContact CE3-CB 4.1Å; W294-P306 HydrophobicContact CZ3-CB 4.4Å | ||
| 307 | I | 96.4 | Very high | 93.3 | Very high | 100 Ų | 100 | 77.6 Ų | 77.6 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -81.1 | -21.8 | 177.1 | 58.7 | 162.2 | 0 | 0 | 0 | 112.7 | I293 D295 | I293-I307 HydrophobicContact CB-CG1 4.24Å; I293-I307 HydrophobicContact CG2-CD1 4.01Å; I293-I307 HydrophobicContact CG2-CG1 3.97Å; I293-I307 VanDerWaalsContact O-CG1 3.26Å; I293-I307 WeakPolarHBondContact O-CG1 3.43Å; I293-I307 PolarHBondContact O-N 3.03Å; D295-I307 HydrophobicContact CB-CD1 4.23Å; D295-I307 HydrophobicContact CB-CG2 3.73Å |
| 308 | L | 96.3 | Very high | 93.4 | Very high | 70 Ų | 70 | 72.5 Ų | 72.5 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.8 | 176.5 | -170.2 | 144.8 | 0 | 0 | 0 | 109.8 | L292 I293 | L292-L308 WeakPolarHBondContact CA-O 3.42Å; I293-L308 HydrophobicContact CB-CB 4.07Å; I293-L308 HydrophobicContact CD1-CB 4.19Å; I293-L308 HydrophobicContact CD1-CD2 3.92Å; I293-L308 HydrophobicContact CD1-CG 4.46Å; I293-L308 HydrophobicContact CG1-CB 4.3Å; I293-L308 HydrophobicContact CG1-CD2 4.26Å; I293-L308 PolarHBondContact N-O 3.19Å; I293-L308 PolarHBondContact O-N 2.94Å |
| 309 | A | 96.9 | Very high | 93.8 | Very high | 59 Ų | 59 | 67 Ų | 67 | 49% | 0.488 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 136.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A291 L292 | A291-A309 WeakPolarHBondContact O-CA 3.41Å; L292-A309 HydrophobicContact CD2-CB 3.51Å |
| 310 | Y | 97.5 | Very high | 94.2 | Very high | 53 Ų | 53 | 67.8 Ų | 67.8 | 21% | 0.208 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.5 | 172.9 | 176.4 | -96.3 | 0 | 0 | 0 | 109.8 | I10 Q290 A291 A312 I331 E338 L340 | I10-Y310 HydrophobicContact CD1-CE2 3.92Å; Q290-Y310 CarbonylContact C-O 3.59Å; Q290-Y310 VanDerWaalsContact CA-O 3.32Å; Q290-Y310 WeakPolarHBondContact CA-O 3.35Å; A291-Y310 PolarHBondContact N-O 2.76Å; A291-Y310 PolarHBondContact O-N 3.42Å; Y310-A312 HydrophobicContact CE1-CB 4.09Å; Y310-I331 HydrophobicContact CD1-CD1 3.86Å; Y310-I331 HydrophobicContact CE1-CD1 3.52Å; Y310-E338 PolarHBondContact OH-OE2 2.69Å; Y310-L340 HydrophobicContact CD1-CD1 3.48Å; Y310-L340 VanDerWaalsContact CD1-CD1 3.48Å; Y310-L340 HydrophobicContact CD1-CD2 4.49Å; Y310-L340 HydrophobicContact CD2-CD1 4.03Å; Y310-L340 HydrophobicContact CD2-CD2 4.32Å; Y310-L340 HydrophobicContact CE1-CD1 3.76Å; Y310-L340 HydrophobicContact CE1-CD2 4Å; Y310-L340 HydrophobicContact CE2-CD1 4.29Å; Y310-L340 HydrophobicContact CE2-CD2 3.82Å; Y310-L340 HydrophobicContact CG-CD1 3.61Å |
| 311 | T | 97.8 | Very high | 94.9 | Very high | 91 Ų | 91 | 63.2 Ų | 63.2 | 56% | 0.558 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.3 | 176.9 | -50.2 | 0 | 0 | 0 | 0 | 109.7 | H289 Q290 | H289-T311 HydrophobicContact CB-CG2 4.45Å; H289-T311 CarbonylContact O-C 3.49Å; H289-T311 WeakPolarHBondContact O-CA 3.3Å; Q290-T311 PolarHBondContact NE2-OG1 2.8Å |
| 312 | A | 97.5 | Very high | 95.3 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | trans | -78.4 | 170.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H289 Y310 G314 I316 I331 Y333 | H289-A312 PolarHBondContact O-N 2.69Å; Y310-A312 HydrophobicContact CE1-CB 4.09Å; A312-G314 PolarHBondContact O-N 2.94Å; A312-I316 HydrophobicContact CB-CD1 3.8Å; A312-I316 HydrophobicContact CB-CG1 3.75Å; A312-I331 HydrophobicContact CB-CD1 4.05Å; A312-Y333 HydrophobicContact CB-CD1 3.83Å; A312-Y333 HydrophobicContact CB-CE1 3.97Å; A312-Y333 HydrophobicContact CB-CG 4.33Å | ||
| 313 | E | 97 | Very high | 95.6 | Very high | 139 Ų | 139 | 54.7 Ų | 54.7 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -82.2 | 3.2 | 176.6 | -59.3 | 174.8 | 147.2 | 0 | 0 | 113.3 | K12 Y333 | K12-E313 IonicContact NZ-OE2 3.54Å; K12-E313 PolarHBondContact NZ-OE2 3.46Å; E313-Y333 HydrophobicContact CB-CE2 3.74Å; E313-Y333 PolarHBondContact OE2-OH 3.3Å |
| 314 | G | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -167.2 | -179.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | H289 A312 I316 | H289-G314 WeakPolarHBondContact CA-O 3.45Å; H289-G314 WeakPolarHBondContact CB-O 3.33Å; A312-G314 PolarHBondContact O-N 2.94Å; G314-I316 PolarHBondContact O-N 2.93Å |
| 315 | E | 97.9 | Very high | 96.1 | Very high | 98 Ų | 98 | 50 Ų | 50 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | trans | -58.6 | 123.5 | 178.2 | -65.9 | 167.9 | 175.7 | 0 | 0 | 110.7 | D287 H289 N317 Y333 | D287-E315 HydrophobicContact CB-CG 4.13Å; D287-E315 WeakPolarHBondContact O-CG 3.44Å; H289-E315 PolarHBondContact CD2-N 2.83Å; H289-E315 VanDerWaalsContact CD2-N 3.29Å; E315-N317 PolarHBondContact O-N 3.29Å; E315-Y333 WeakPolarHBondContact O-CA 3.32Å; E315-Y333 WeakPolarHBondContact O-CB 3.47Å | ||
| 316 | I | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113 | -176.9 | -55.9 | 172.1 | 0 | 0 | 0 | 108.6 | N270 A285 A286 A291 A312 G314 N318 I331 C332 | N270-I316 WeakPolarHBondContact CB-O 3.46Å; N270-I316 PolarHBondContact ND2-O 3.46Å; A285-I316 HydrophobicContact CB-CB 3.91Å; A285-I316 HydrophobicContact CB-CD1 4.35Å; A285-I316 HydrophobicContact CB-CG2 3.48Å; A285-I316 VanDerWaalsContact CB-CG2 3.48Å; A286-I316 PolarHBondContact O-N 3.22Å; A286-I316 VanDerWaalsContact O-N 3.13Å; A291-I316 HydrophobicContact CB-CD1 3.95Å; A312-I316 HydrophobicContact CB-CD1 3.8Å; A312-I316 HydrophobicContact CB-CG1 3.75Å; G314-I316 PolarHBondContact O-N 2.93Å; I316-N318 WeakPolarHBondContact CG2-O 3.27Å; I316-I331 HydrophobicContact CD1-CD1 4.12Å; I316-I331 HydrophobicContact CG2-CB 3.95Å; I316-I331 HydrophobicContact CG2-CG2 4.18Å; I316-C332 WeakPolarHBondContact CA-O 3.47Å |
| 317 | N | 94.8 | Very high | 96 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -26.4 | -175.6 | -63.4 | -47.7 | 0 | 0 | 0 | 112.9 | E315 C332 | E315-N317 PolarHBondContact O-N 3.29Å; N317-C332 PolarHBondContact N-O 3.02Å |
| 318 | N | 95.3 | Very high | 96 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 147.2 | -175.8 | -152.6 | -47.3 | 0 | 0 | 0 | 110.6 | M22 I316 Q320 I331 C332 | M22-N318 HydrophobicContact CE-CB 3.83Å; M22-N318 WeakPolarHBondContact CE-O 3.35Å; M22-N318 HydrophobicContact CG-CB 4.3Å; I316-N318 WeakPolarHBondContact CG2-O 3.27Å; N318-Q320 PolarHBondContact OD1-NE2 3.49Å; N318-I331 WeakPolarHBondContact O-CA 3.38Å; N318-C332 PolarHBondContact O-N 3.04Å |
| 319 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.1 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 109.6 | G271 A273 C283 A285 I329 A330 I331 | G271-V319 VanDerWaalsContact C-CG1 3.49Å; A273-V319 HydrophobicContact CB-CG1 4.21Å; A273-V319 HydrophobicContact CB-CG2 4.49Å; C283-V319 HydrophobicContact CB-CG2 4.39Å; A285-V319 HydrophobicContact CB-CB 3.89Å; A285-V319 HydrophobicContact CB-CG1 3.92Å; V319-I329 HydrophobicContact CG2-CG2 3.48Å; V319-I329 VanDerWaalsContact CG2-CG2 3.48Å; V319-A330 CarbonylContact C-O 3.45Å; V319-A330 WeakPolarHBondContact CA-O 3.5Å; V319-I331 HydrophobicContact CB-CG2 4.25Å; V319-I331 HydrophobicContact CG2-CG2 3.88Å |
| 320 | Q | 97.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 38.5 Ų | 38.5 | 25% | 0.248 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 128.8 | -179.9 | -68.5 | -65.1 | -45.4 | 0 | 0 | 110.9 | M22 W24 N318 A330 | M22-Q320 HydrophobicContact CE-CB 4.37Å; M22-Q320 HydrophobicContact CE-CG 4.23Å; M22-Q320 HydrophobicContact CG-CG 4.28Å; M22-Q320 HydrophobicContact SD-CB 4.5Å; M22-Q320 HydrophobicContact SD-CG 4.42Å; W24-Q320 PolarHBondContact NE1-O 3.2Å; N318-Q320 PolarHBondContact OD1-NE2 3.49Å; Q320-A330 PolarHBondContact N-O 2.85Å; Q320-A330 PolarHBondContact O-N 3.09Å |
| 321 | W | 96.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 36 Ų | 36 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.5 | 173.7 | -143.8 | -56.2 | 0 | 0 | 0 | 110.8 | A273 A275 P276 H277 C283 I293 S323 P326 W328 I329 V342 | A273-W321 HydrophobicContact CB-CB 4.44Å; A275-W321 HydrophobicContact CB-CD2 4.18Å; A275-W321 HydrophobicContact CB-CE3 4Å; A275-W321 HydrophobicContact CB-CH2 3.85Å; A275-W321 HydrophobicContact CB-CZ2 4.04Å; A275-W321 HydrophobicContact CB-CZ3 3.82Å; P276-W321 HydrophobicContact CG-CB 4.5Å; P276-W321 HydrophobicContact CG-CG 4.08Å; H277-W321 AromaticContact CE1-CZ2 3.6Å; C283-W321 HydrophobicContact CB-CE3 4.04Å; C283-W321 HydrophobicContact CB-CZ3 3.82Å; I293-W321 HydrophobicContact CD1-CH2 4.13Å; I293-W321 HydrophobicContact CG2-CH2 4.41Å; W321-S323 PolarHBondContact O-N 2.61Å; W321-P326 PolarHBondContact NE1-O 2.86Å; W321-W328 VanDerWaalsContact CD1-O 3.23Å; W321-I329 HydrophobicContact CD2-CD1 3.87Å; W321-I329 HydrophobicContact CD2-CG1 3.58Å; W321-I329 HydrophobicContact CE3-CD1 3.6Å; W321-I329 HydrophobicContact CE3-CG1 3.85Å; W321-I329 HydrophobicContact CG-CG1 4.04Å; W321-I329 HydrophobicContact CH2-CD1 3.58Å; W321-I329 HydrophobicContact CH2-CG1 4.21Å; W321-I329 HydrophobicContact CZ2-CD1 3.82Å; W321-I329 HydrophobicContact CZ2-CG1 3.95Å; W321-I329 HydrophobicContact CZ3-CD1 3.46Å; W321-I329 VanDerWaalsContact CZ3-CD1 3.46Å; W321-I329 HydrophobicContact CZ3-CG1 4.16Å; W321-V342 HydrophobicContact CH2-CG2 4.12Å; W321-V342 HydrophobicContact CZ2-CG2 3.43Å; W321-V342 VanDerWaalsContact CZ2-CG2 3.43Å |
| 322 | A | 95.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -74.8 | 112.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | W24 T324 Q325 P326 W328 | W24-A322 HydrophobicContact CD2-CB 3.63Å; W24-A322 HydrophobicContact CE3-CB 3.93Å; W24-A322 HydrophobicContact CG-CB 3.99Å; W24-A322 HydrophobicContact CH2-CB 4.24Å; W24-A322 HydrophobicContact CZ2-CB 3.99Å; W24-A322 HydrophobicContact CZ3-CB 4.21Å; A322-T324 PolarHBondContact O-N 3.28Å; A322-Q325 HydrophobicContact CB-CB 3.99Å; A322-Q325 WeakPolarHBondContact CB-O 3.09Å; A322-Q325 CarbonylContact O-C 3.55Å; A322-Q325 PolarHBondContact O-N 2.98Å; A322-P326 WeakPolarHBondContact O-CA 3.27Å; A322-W328 HydrophobicContact CB-CB 4.21Å; A322-W328 WeakPolarHBondContact CB-O 3.18Å; A322-W328 PolarHBondContact N-O 3.05Å | ||
| 323 | S | 92.1 | Very high | 96.1 | Very high | 61 Ų | 61 | 31.6 Ų | 31.6 | 43% | 0.427 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -67 | -33.7 | 179.6 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | V26 W321 | V26-S323 WeakPolarHBondContact CG1-OG 3.47Å; W321-S323 PolarHBondContact O-N 2.61Å |
| 324 | T | 92.4 | Very high | 96 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 33% | 0.331 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -84.7 | -15.2 | 177.6 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | V26 A322 | V26-T324 HydrophobicContact CB-CG2 4.35Å; V26-T324 VanDerWaalsContact O-CG2 3.26Å; V26-T324 WeakPolarHBondContact O-CG2 3.31Å; A322-T324 PolarHBondContact O-N 3.28Å |
| 325 | Q | 93.6 | Very high | 96 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -137.4 | 71.4 | -176.3 | -57.2 | -170.6 | 104.1 | 0 | 0 | 108.8 | R31 F32 A322 D327 W328 | R31-Q325 VanDerWaalsContact NE-OE1 3.1Å; F32-Q325 VanDerWaalsContact N-NE2 3.17Å; A322-Q325 HydrophobicContact CB-CB 3.99Å; A322-Q325 WeakPolarHBondContact CB-O 3.09Å; A322-Q325 CarbonylContact O-C 3.55Å; A322-Q325 PolarHBondContact O-N 2.98Å; Q325-D327 PolarHBondContact O-N 2.87Å; Q325-W328 PolarHBondContact O-N 3.03Å |
| 326 | P | 93.1 | Very high | 96 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 28% | 0.279 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -10.1 | -165.1 | 25.8 | -36.6 | 0 | 0 | 0 | 115.2 | P276 H277 W321 A322 W328 | P276-P326 HydrophobicContact CG-CB 3.94Å; H277-P326 HydrophobicContact CB-CB 3.8Å; H277-P326 PolarHBondContact CE1-O 3.05Å; H277-P326 PolarHBondContact ND1-O 3.22Å; H277-P326 VanDerWaalsContact ND1-O 3.13Å; W321-P326 PolarHBondContact NE1-O 2.86Å; A322-P326 WeakPolarHBondContact O-CA 3.27Å; P326-W328 VanDerWaalsContact C-N 3.26Å |
| 327 | D | 94.3 | Very high | 96 | Very high | 73 Ų | 73 | 26.4 Ų | 26.4 | 39% | 0.39 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.6 | 173 | -58.1 | -2 | 0 | 0 | 0 | 112.4 | Q325 R341 V342 | Q325-D327 PolarHBondContact O-N 2.87Å; D327-R341 HydrophobicContact CB-CG 4.27Å; D327-R341 CarbonylContact O-C 3.57Å; D327-R341 VanDerWaalsContact O-CA 3.25Å; D327-R341 WeakPolarHBondContact O-CA 3.45Å; D327-R341 IonicContact OD2-NH2 3.32Å; D327-V342 PolarHBondContact O-N 2.9Å |
| 328 | W | 96.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.5 | -172 | -66.1 | 86.1 | 0 | 0 | 0 | 113.1 | Y11 W24 F32 W321 A322 Q325 P326 I339 L340 R341 | Y11-W328 AromaticContact CD2-CH2 3.62Å; Y11-W328 HydrophobicContact CD2-CH2 3.62Å; Y11-W328 AromaticContact CD2-CZ3 3.7Å; Y11-W328 HydrophobicContact CD2-CZ3 3.7Å; Y11-W328 AromaticContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CH2 3.39Å; Y11-W328 HydrophobicContact CE2-CZ2 4.06Å; Y11-W328 AromaticContact CE2-CZ3 3.99Å; Y11-W328 HydrophobicContact CE2-CZ3 3.99Å; W24-W328 HydrophobicContact CH2-CB 4.24Å; W24-W328 HydrophobicContact CZ2-CB 4.37Å; F32-W328 AromaticContact CE1-CD1 3.98Å; F32-W328 AromaticContact CE1-CD2 3.9Å; F32-W328 HydrophobicContact CE1-CD2 3.9Å; F32-W328 AromaticContact CE1-CE2 3.77Å; F32-W328 HydrophobicContact CE1-CG 4.03Å; F32-W328 HydrophobicContact CE1-CZ2 4.34Å; F32-W328 AromaticContact CE1-NE1 3.8Å; F32-W328 HydrophobicContact CZ-CZ2 4.41Å; F32-W328 AromaticContact CZ-NE1 3.82Å; W321-W328 VanDerWaalsContact CD1-O 3.23Å; A322-W328 HydrophobicContact CB-CB 4.21Å; A322-W328 WeakPolarHBondContact CB-O 3.18Å; A322-W328 PolarHBondContact N-O 3.05Å; Q325-W328 PolarHBondContact O-N 3.03Å; P326-W328 VanDerWaalsContact C-N 3.26Å; W328-I339 HydrophobicContact CD2-CD1 4.41Å; W328-I339 HydrophobicContact CE3-CB 4.11Å; W328-I339 HydrophobicContact CE3-CD1 3.77Å; W328-I339 HydrophobicContact CE3-CG1 3.88Å; W328-I339 HydrophobicContact CZ3-CD1 4.02Å; W328-I339 HydrophobicContact CZ3-CG1 3.99Å; W328-L340 WeakPolarHBondContact CA-O 3.47Å; W328-R341 HydrophobicContact CD2-CB 4.41Å; W328-R341 HydrophobicContact CE3-CB 4.2Å; W328-R341 HydrophobicContact CH2-CB 3.84Å; W328-R341 HydrophobicContact CH2-CG 4.47Å; W328-R341 HydrophobicContact CZ2-CB 4.07Å; W328-R341 HydrophobicContact CZ2-CG 4.21Å; W328-R341 HydrophobicContact CZ3-CB 3.91Å |
| 329 | I | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.2 | 170.3 | -59.3 | -177.4 | 0 | 0 | 0 | 108.2 | C283 I293 V319 W321 I331 I339 L340 V342 | C283-I329 HydrophobicContact CB-CD1 4.08Å; I293-I329 HydrophobicContact CD1-CD1 3.95Å; I293-I329 HydrophobicContact CG1-CD1 4.4Å; V319-I329 HydrophobicContact CG2-CG2 3.48Å; V319-I329 VanDerWaalsContact CG2-CG2 3.48Å; W321-I329 HydrophobicContact CD2-CD1 3.87Å; W321-I329 HydrophobicContact CD2-CG1 3.58Å; W321-I329 HydrophobicContact CE3-CD1 3.6Å; W321-I329 HydrophobicContact CE3-CG1 3.85Å; W321-I329 HydrophobicContact CG-CG1 4.04Å; W321-I329 HydrophobicContact CH2-CD1 3.58Å; W321-I329 HydrophobicContact CH2-CG1 4.21Å; W321-I329 HydrophobicContact CZ2-CD1 3.82Å; W321-I329 HydrophobicContact CZ2-CG1 3.95Å; W321-I329 HydrophobicContact CZ3-CD1 3.46Å; W321-I329 VanDerWaalsContact CZ3-CD1 3.46Å; W321-I329 HydrophobicContact CZ3-CG1 4.16Å; I329-I331 HydrophobicContact CG2-CG2 4.34Å; I329-I339 CarbonylContact O-C 3.21Å; I329-I339 WeakPolarHBondContact O-CA 3.48Å; I329-L340 PolarHBondContact N-O 3.03Å; I329-L340 PolarHBondContact O-N 3.19Å; I329-V342 HydrophobicContact CD1-CB 4.4Å; I329-V342 HydrophobicContact CD1-CG1 3.8Å; I329-V342 HydrophobicContact CD1-CG2 3.94Å; I329-V342 HydrophobicContact CG1-CG1 4.11Å; I329-V342 HydrophobicContact CG1-CG2 3.84Å |
| 330 | A | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 141.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M22 W24 L34 V319 Q320 L337 E338 I339 | M22-A330 HydrophobicContact CE-CB 4.09Å; M22-A330 WeakPolarHBondContact CE-O 3.47Å; M22-A330 HydrophobicContact SD-CB 3.57Å; M22-A330 VanDerWaalsContact SD-CB 3.57Å; W24-A330 HydrophobicContact CZ2-CB 3.62Å; W24-A330 VanDerWaalsContact NE1-CB 3.33Å; L34-A330 HydrophobicContact CD2-CB 3.83Å; V319-A330 CarbonylContact C-O 3.45Å; V319-A330 WeakPolarHBondContact CA-O 3.5Å; Q320-A330 PolarHBondContact N-O 2.85Å; Q320-A330 PolarHBondContact O-N 3.09Å; A330-L337 HydrophobicContact CB-CD1 3.96Å; A330-E338 CarbonylContact C-O 3.5Å; A330-E338 WeakPolarHBondContact CA-O 3.3Å; A330-I339 HydrophobicContact CB-CG2 3.95Å |
| 331 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.4 | 167.8 | 58.2 | 166.4 | 0 | 0 | 0 | 109.5 | A291 Y310 A312 I316 N318 V319 I329 Y333 E338 L340 | A291-I331 HydrophobicContact CB-CG2 4.29Å; Y310-I331 HydrophobicContact CD1-CD1 3.86Å; Y310-I331 HydrophobicContact CE1-CD1 3.52Å; A312-I331 HydrophobicContact CB-CD1 4.05Å; I316-I331 HydrophobicContact CD1-CD1 4.12Å; I316-I331 HydrophobicContact CG2-CB 3.95Å; I316-I331 HydrophobicContact CG2-CG2 4.18Å; N318-I331 WeakPolarHBondContact O-CA 3.38Å; V319-I331 HydrophobicContact CB-CG2 4.25Å; V319-I331 HydrophobicContact CG2-CG2 3.88Å; I329-I331 HydrophobicContact CG2-CG2 4.34Å; I331-Y333 HydrophobicContact CD1-CD1 4.43Å; I331-E338 HydrophobicContact CD1-CB 4.37Å; I331-E338 HydrophobicContact CG1-CB 3.94Å; I331-E338 PolarHBondContact N-O 3.09Å; I331-E338 PolarHBondContact O-N 2.79Å; I331-L340 HydrophobicContact CD1-CD1 4Å; I331-L340 HydrophobicContact CG1-CD1 4.31Å |
| 332 | C | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.4 | 172.7 | -70 | 0 | 0 | 0 | 0 | 110.7 | V19 M22 I316 N317 N318 C336 | V19-C332 HydrophobicContact CB-CB 4.17Å; V19-C332 HydrophobicContact CG1-CB 3.93Å; V19-C332 VanDerWaalsContact CG1-SG 3.51Å; M22-C332 HydrophobicContact CE-CB 4.2Å; M22-C332 PolarHBondContact SD-SG 2.8Å; I316-C332 WeakPolarHBondContact CA-O 3.47Å; N317-C332 PolarHBondContact N-O 3.02Å; N318-C332 PolarHBondContact O-N 3.04Å; C332-C336 WeakPolarHBondContact CA-O 3.4Å |
| 333 | Y | 97.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 143.8 | 173.9 | 64.1 | -91.1 | 0 | 0 | 0 | 108.6 | K12 A312 E313 E315 I331 N335 C336 E338 | K12-Y333 PolarHBondContact NZ-OH 3.1Å; A312-Y333 HydrophobicContact CB-CD1 3.83Å; A312-Y333 HydrophobicContact CB-CE1 3.97Å; A312-Y333 HydrophobicContact CB-CG 4.33Å; E313-Y333 HydrophobicContact CB-CE2 3.74Å; E313-Y333 PolarHBondContact OE2-OH 3.3Å; E315-Y333 WeakPolarHBondContact O-CA 3.32Å; E315-Y333 WeakPolarHBondContact O-CB 3.47Å; I331-Y333 HydrophobicContact CD1-CD1 4.43Å; Y333-N335 PolarHBondContact O-N 3.46Å; Y333-C336 HydrophobicContact CD1-CB 4.38Å; Y333-C336 HydrophobicContact CD2-CB 4.14Å; Y333-C336 HydrophobicContact CE1-CB 4.04Å; Y333-C336 HydrophobicContact CE2-CB 3.77Å; Y333-C336 HydrophobicContact CG-CB 4.43Å; Y333-C336 PolarHBondContact N-O 3.43Å; Y333-C336 VanDerWaalsContact N-O 3.14Å; Y333-C336 WeakPolarHBondContact O-CA 3.47Å; Y333-C336 VanDerWaalsContact O-CB 3.3Å; Y333-C336 WeakPolarHBondContact O-CB 3.47Å; Y333-C336 PolarHBondContact O-N 3.28Å; Y333-E338 HydrophobicContact CE1-CG 3.78Å; Y333-E338 VanDerWaalsContact OH-CD 3.3Å; Y333-E338 PolarHBondContact OH-OE1 3.41Å |
| 334 | N | 96.2 | Very high | 95.8 | Very high | 78 Ų | 78 | 28.5 Ų | 28.5 | 42% | 0.417 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | -126.9 | -174.2 | -61.2 | -33.8 | 0 | 0 | 0 | 111.7 | T18 V19 | T18-N334 CarbonylContact C-O 3.57Å; T18-N334 VanDerWaalsContact CA-O 3.3Å; T18-N334 WeakPolarHBondContact CA-O 3.15Å; T18-N334 WeakPolarHBondContact CG2-O 3.37Å; V19-N334 PolarHBondContact N-O 2.98Å |
| 335 | N | 97.3 | Very high | 96 | Very high | 51 Ų | 51 | 27.1 Ų | 27.1 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 17.2 | 174.8 | 67.7 | -31.2 | 0 | 0 | 0 | 113.6 | E14 A15 W17 Y333 | E14-N335 WeakPolarHBondContact CG-ND2 3.07Å; E14-N335 PolarHBondContact OE1-ND2 3.13Å; A15-N335 WeakPolarHBondContact CB-O 3.12Å; A15-N335 PolarHBondContact N-O 3.24Å; A15-N335 WeakPolarHBondContact O-CB 3.04Å; A15-N335 PolarHBondContact O-ND2 3.45Å; W17-N335 VanDerWaalsContact O-CA 3.23Å; W17-N335 WeakPolarHBondContact O-CA 3.47Å; W17-N335 WeakPolarHBondContact O-CB 3.47Å; Y333-N335 PolarHBondContact O-N 3.46Å |
| 336 | C | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.02 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.9 | -171.1 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | K12 C332 Y333 E338 | K12-C336 WeakPolarHBondContact CE-SG 3.44Å; K12-C336 VanDerWaalsContact CG-SG 3.55Å; C332-C336 WeakPolarHBondContact CA-O 3.4Å; Y333-C336 HydrophobicContact CD1-CB 4.38Å; Y333-C336 HydrophobicContact CD2-CB 4.14Å; Y333-C336 HydrophobicContact CE1-CB 4.04Å; Y333-C336 HydrophobicContact CE2-CB 3.77Å; Y333-C336 HydrophobicContact CG-CB 4.43Å; Y333-C336 PolarHBondContact N-O 3.43Å; Y333-C336 VanDerWaalsContact N-O 3.14Å; Y333-C336 WeakPolarHBondContact O-CA 3.47Å; Y333-C336 VanDerWaalsContact O-CB 3.3Å; Y333-C336 WeakPolarHBondContact O-CB 3.47Å; Y333-C336 PolarHBondContact O-N 3.28Å; C336-E338 VanDerWaalsContact SG-CG 3.51Å |
| 337 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.4 | 158.2 | 165.3 | 74.3 | 0 | 0 | 0 | 108.1 | K12 Y13 M22 L34 L36 V50 A330 I339 | K12-L337 CarbonylContact C-O 3.52Å; K12-L337 WeakPolarHBondContact CA-O 3.36Å; Y13-L337 PolarHBondContact N-O 3.16Å; Y13-L337 PolarHBondContact O-N 3Å; M22-L337 HydrophobicContact SD-CD1 3.91Å; L34-L337 HydrophobicContact CB-CD2 4.5Å; L34-L337 HydrophobicContact CD1-CD2 4.19Å; L34-L337 HydrophobicContact CD2-CD1 3.95Å; L34-L337 HydrophobicContact CD2-CD2 4.18Å; L36-L337 HydrophobicContact CD1-CB 4.16Å; L36-L337 HydrophobicContact CD1-CD2 4.16Å; L36-L337 HydrophobicContact CD2-CB 4.38Å; L36-L337 HydrophobicContact CD2-CD1 4.24Å; L36-L337 HydrophobicContact CD2-CD2 4.12Å; L36-L337 HydrophobicContact CD2-CG 4.46Å; V50-L337 HydrophobicContact CG2-CD2 3.95Å; A330-L337 HydrophobicContact CB-CD1 3.96Å; L337-I339 HydrophobicContact CD1-CG2 4.36Å |
| 338 | E | 97.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 24 Ų | 24 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.7 | 167.1 | -62 | -169.4 | 156.4 | 0 | 0 | 110.1 | Y11 K12 Y310 A330 I331 Y333 C336 L340 | Y11-E338 WeakPolarHBondContact O-CA 3.41Å; K12-E338 HydrophobicContact CB-CG 4.41Å; K12-E338 HydrophobicContact CD-CG 4.4Å; K12-E338 WeakPolarHBondContact CD-OE1 3.42Å; K12-E338 HydrophobicContact CG-CG 4.14Å; K12-E338 IonicContact NZ-OE1 3.78Å; K12-E338 PolarHBondContact NZ-OE1 2.99Å; Y310-E338 PolarHBondContact OH-OE2 2.69Å; A330-E338 CarbonylContact C-O 3.5Å; A330-E338 WeakPolarHBondContact CA-O 3.3Å; I331-E338 HydrophobicContact CD1-CB 4.37Å; I331-E338 HydrophobicContact CG1-CB 3.94Å; I331-E338 PolarHBondContact N-O 3.09Å; I331-E338 PolarHBondContact O-N 2.79Å; Y333-E338 HydrophobicContact CE1-CG 3.78Å; Y333-E338 VanDerWaalsContact OH-CD 3.3Å; Y333-E338 PolarHBondContact OH-OE1 3.41Å; C336-E338 VanDerWaalsContact SG-CG 3.51Å; E338-L340 HydrophobicContact CB-CD2 4.4Å |
| 339 | I | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.5 | 166.9 | 67.9 | 165.5 | 0 | 0 | 0 | 109.1 | I10 Y11 W24 F32 L34 F59 W328 I329 A330 L337 | I10-I339 WeakPolarHBondContact CA-O 3.33Å; Y11-I339 HydrophobicContact CD2-CD1 3.89Å; Y11-I339 HydrophobicContact CD2-CG1 4.07Å; Y11-I339 HydrophobicContact CG-CD1 4.36Å; Y11-I339 HydrophobicContact CG-CG1 4.36Å; Y11-I339 PolarHBondContact N-O 2.97Å; Y11-I339 PolarHBondContact O-N 3.16Å; W24-I339 HydrophobicContact CH2-CB 3.96Å; W24-I339 HydrophobicContact CH2-CD1 3.97Å; W24-I339 HydrophobicContact CH2-CG2 3.5Å; W24-I339 HydrophobicContact CZ2-CB 4.1Å; W24-I339 HydrophobicContact CZ2-CG2 3.55Å; F32-I339 HydrophobicContact CD1-CD1 3.72Å; F32-I339 HydrophobicContact CE1-CD1 4.03Å; L34-I339 HydrophobicContact CD1-CG2 4.47Å; F59-I339 HydrophobicContact CE2-CD1 3.65Å; F59-I339 HydrophobicContact CE2-CG1 3.82Å; F59-I339 HydrophobicContact CE2-CG2 4.45Å; F59-I339 HydrophobicContact CZ-CD1 3.67Å; F59-I339 HydrophobicContact CZ-CG1 4.19Å; F59-I339 HydrophobicContact CZ-CG2 4.29Å; W328-I339 HydrophobicContact CD2-CD1 4.41Å; W328-I339 HydrophobicContact CE3-CB 4.11Å; W328-I339 HydrophobicContact CE3-CD1 3.77Å; W328-I339 HydrophobicContact CE3-CG1 3.88Å; W328-I339 HydrophobicContact CZ3-CD1 4.02Å; W328-I339 HydrophobicContact CZ3-CG1 3.99Å; I329-I339 CarbonylContact O-C 3.21Å; I329-I339 WeakPolarHBondContact O-CA 3.48Å; A330-I339 HydrophobicContact CB-CG2 3.95Å; L337-I339 HydrophobicContact CD1-CG2 4.36Å |
| 340 | L | 95.7 | Very high | 96.4 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.4 | -173.3 | -50.6 | 176.6 | 0 | 0 | 0 | 108.4 | I10 Y310 W328 I329 I331 E338 | I10-L340 HydrophobicContact CB-CD2 4.4Å; I10-L340 HydrophobicContact CD1-CD2 4.03Å; I10-L340 HydrophobicContact CG1-CD2 3.81Å; I10-L340 HydrophobicContact CG2-CD2 3.9Å; Y310-L340 HydrophobicContact CD1-CD1 3.48Å; Y310-L340 VanDerWaalsContact CD1-CD1 3.48Å; Y310-L340 HydrophobicContact CD1-CD2 4.49Å; Y310-L340 HydrophobicContact CD2-CD1 4.03Å; Y310-L340 HydrophobicContact CD2-CD2 4.32Å; Y310-L340 HydrophobicContact CE1-CD1 3.76Å; Y310-L340 HydrophobicContact CE1-CD2 4Å; Y310-L340 HydrophobicContact CE2-CD1 4.29Å; Y310-L340 HydrophobicContact CE2-CD2 3.82Å; Y310-L340 HydrophobicContact CG-CD1 3.61Å; W328-L340 WeakPolarHBondContact CA-O 3.47Å; I329-L340 PolarHBondContact N-O 3.03Å; I329-L340 PolarHBondContact O-N 3.19Å; I331-L340 HydrophobicContact CD1-CD1 4Å; I331-L340 HydrophobicContact CG1-CD1 4.31Å; E338-L340 HydrophobicContact CB-CD2 4.4Å |
| 341 | R | 94.4 | Very high | 96.3 | Very high | 114 Ų | 114 | 28.8 Ų | 28.8 | 43% | 0.43 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 132.4 | 167.6 | -164.6 | 178.5 | -175.4 | -165.8 | -2.7 | 109.8 | E9 D327 W328 | E9-R341 WeakPolarHBondContact O-CB 3.5Å; E9-R341 PolarHBondContact O-N 2.88Å; D327-R341 HydrophobicContact CB-CG 4.27Å; D327-R341 CarbonylContact O-C 3.57Å; D327-R341 VanDerWaalsContact O-CA 3.25Å; D327-R341 WeakPolarHBondContact O-CA 3.45Å; D327-R341 IonicContact OD2-NH2 3.32Å; W328-R341 HydrophobicContact CD2-CB 4.41Å; W328-R341 HydrophobicContact CE3-CB 4.2Å; W328-R341 HydrophobicContact CH2-CB 3.84Å; W328-R341 HydrophobicContact CH2-CG 4.47Å; W328-R341 HydrophobicContact CZ2-CB 4.07Å; W328-R341 HydrophobicContact CZ2-CG 4.21Å; W328-R341 HydrophobicContact CZ3-CB 3.91Å |
| 342 | V | 89.8 | Confident | 96.1 | Very high | 77 Ų | 77 | 31.5 Ų | 31.5 | 47% | 0.467 | 16% | 0.156 | S | C | . | . | trans | -126.7 | 0 | -175.8 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | I293 W321 D327 I329 | I293-V342 HydrophobicContact CD1-CB 3.92Å; I293-V342 HydrophobicContact CD1-CG1 3.78Å; I293-V342 HydrophobicContact CD1-CG2 4.5Å; W321-V342 HydrophobicContact CH2-CG2 4.12Å; W321-V342 HydrophobicContact CZ2-CG2 3.43Å; W321-V342 VanDerWaalsContact CZ2-CG2 3.43Å; D327-V342 PolarHBondContact O-N 2.9Å; I329-V342 HydrophobicContact CD1-CB 4.4Å; I329-V342 HydrophobicContact CD1-CG1 3.8Å; I329-V342 HydrophobicContact CD1-CG2 3.94Å; I329-V342 HydrophobicContact CG1-CG1 4.11Å; I329-V342 HydrophobicContact CG1-CG2 3.84Å |
Retrieved 342 of 342 residues in 2669.3 ms
(Link to these results)