| 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 | 52.5 | Low | 50.3 | Low | 198 Ų | 198 | 109 Ų | 109 | 98% | 0.975 | 60% | 0.597 | S | S | * | * | 0 | -36.5 | 0 | -87.6 | -162.2 | 60.9 | 0 | 0 | 114.1 | C3 L4 V5 | M1-C3 PolarHBondContact O-N 3.38Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-V5 PolarHBondContact O-N 3.47Å | |||
| 2 | I | 51.8 | Low | 50.2 | Low | 135 Ų | 135 | 109.3 Ų | 109.3 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.7 | -41.9 | -180 | -64.7 | 168.8 | 0 | 0 | 0 | 112.8 | L4 V5 L6 | I2-L4 VanDerWaalsContact C-N 3.29Å; I2-L4 PolarHBondContact O-N 3.25Å; I2-V5 PolarHBondContact O-N 3.09Å; I2-L6 HydrophobicContact CG2-CD1 3.97Å; I2-L6 HydrophobicContact CG2-CG 4.45Å; I2-L6 PolarHBondContact O-N 3.26Å; I2-L6 VanDerWaalsContact O-N 3.09Å |
| 3 | C | 47.6 | Very low | 49.9 | Very low | 105 Ų | 105 | 111.9 Ų | 111.9 | 71% | 0.709 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.9 | -36.2 | 177.7 | -67.6 | 0 | 0 | 0 | 0 | 113.5 | M1 T7 | M1-C3 PolarHBondContact O-N 3.38Å; C3-T7 PolarHBondContact O-N 3.29Å; C3-T7 PolarHBondContact O-OG1 3.11Å |
| 4 | L | 51.3 | Low | 49.7 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 62% | 0.618 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.7 | -39.7 | -179.8 | -166.5 | 75.5 | 0 | 0 | 0 | 111.5 | M1 I2 T7 I8 | M1-L4 PolarHBondContact O-N 3.29Å; I2-L4 VanDerWaalsContact C-N 3.29Å; I2-L4 PolarHBondContact O-N 3.25Å; L4-T7 WeakPolarHBondContact CA-OG1 3.32Å; L4-T7 PolarHBondContact O-N 3.36Å; L4-T7 PolarHBondContact O-OG1 3.05Å; L4-I8 HydrophobicContact CG-CD1 4.47Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3.45Å; L4-I8 VanDerWaalsContact O-N 3.11Å |
| 5 | V | 52.2 | Low | 49.6 | Very low | 68 Ų | 68 | 109.7 Ų | 109.7 | 41% | 0.412 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.2 | -41.6 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | M1 I2 T7 I8 F9 | M1-V5 PolarHBondContact O-N 3.47Å; I2-V5 PolarHBondContact O-N 3.09Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 2.64Å; V5-I8 PolarHBondContact O-N 3.36Å; V5-F9 HydrophobicContact CG1-CD2 3.95Å; V5-F9 HydrophobicContact CG1-CE2 3.93Å; V5-F9 WeakPolarHBondContact O-CD2 3.34Å; V5-F9 PolarHBondContact O-N 3.12Å; V5-F9 VanDerWaalsContact O-N 3.16Å |
| 6 | L | 51.8 | Low | 49.8 | Very low | 114 Ų | 114 | 105.9 Ų | 105.9 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.4 | -34.2 | 175.6 | -69.1 | 172 | 0 | 0 | 0 | 112.8 | I2 A10 | I2-L6 HydrophobicContact CG2-CD1 3.97Å; I2-L6 HydrophobicContact CG2-CG 4.45Å; I2-L6 PolarHBondContact O-N 3.26Å; I2-L6 VanDerWaalsContact O-N 3.09Å; L6-A10 VanDerWaalsContact O-CB 3.28Å; L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.04Å |
| 7 | T | 52.6 | Low | 50.6 | Low | 64 Ų | 64 | 102.5 Ų | 102.5 | 39% | 0.393 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.4 | -38.8 | 175.4 | 3 | 0 | 0 | 0 | 0 | 112 | C3 L4 V5 A10 N11 | C3-T7 PolarHBondContact O-N 3.29Å; C3-T7 PolarHBondContact O-OG1 3.11Å; L4-T7 WeakPolarHBondContact CA-OG1 3.32Å; L4-T7 PolarHBondContact O-N 3.36Å; L4-T7 PolarHBondContact O-OG1 3.05Å; V5-T7 VanDerWaalsContact C-N 3.34Å; V5-T7 PolarHBondContact O-N 2.64Å; T7-A10 PolarHBondContact O-N 3.16Å; T7-N11 WeakPolarHBondContact O-CB 3.28Å; T7-N11 PolarHBondContact O-N 3.41Å; T7-N11 PolarHBondContact O-ND2 2.94Å; T7-N11 VanDerWaalsContact O-ND2 3.12Å |
| 8 | I | 50.5 | Low | 51.5 | Low | 89 Ų | 89 | 102.2 Ų | 102.2 | 46% | 0.456 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -46.5 | 176.5 | -67.8 | 165.4 | 0 | 0 | 0 | 110.2 | L4 V5 N11 L12 | L4-I8 HydrophobicContact CG-CD1 4.47Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3.45Å; L4-I8 VanDerWaalsContact O-N 3.11Å; V5-I8 PolarHBondContact O-N 3.36Å; I8-N11 PolarHBondContact O-N 3.15Å; I8-L12 HydrophobicContact CG2-CD1 3.8Å; I8-L12 WeakPolarHBondContact O-CD1 3.4Å; I8-L12 PolarHBondContact O-N 3.32Å; I8-L12 VanDerWaalsContact O-N 3.15Å |
| 9 | F | 45 | Very low | 53.1 | Low | 126 Ų | 126 | 98.4 Ų | 98.4 | 55% | 0.553 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.3 | -36.9 | 178.4 | -81.7 | -76.8 | 0 | 0 | 0 | 113.7 | V5 N11 L12 F13 | V5-F9 HydrophobicContact CG1-CD2 3.95Å; V5-F9 HydrophobicContact CG1-CE2 3.93Å; V5-F9 WeakPolarHBondContact O-CD2 3.34Å; V5-F9 PolarHBondContact O-N 3.12Å; V5-F9 VanDerWaalsContact O-N 3.16Å; F9-N11 VanDerWaalsContact C-N 3.28Å; F9-N11 PolarHBondContact O-N 3.45Å; F9-L12 PolarHBondContact O-N 3.17Å; F9-F13 PolarHBondContact O-N 3.26Å; F9-F13 VanDerWaalsContact O-N 3.17Å |
| 10 | A | 50.8 | Low | 54.8 | Low | 65 Ų | 65 | 95.3 Ų | 95.3 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -28.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L6 T7 | L6-A10 VanDerWaalsContact O-CB 3.28Å; L6-A10 WeakPolarHBondContact O-CB 3.43Å; L6-A10 PolarHBondContact O-N 3.04Å; T7-A10 PolarHBondContact O-N 3.16Å |
| 11 | N | 47.7 | Very low | 56.5 | Low | 117 Ų | 117 | 96.3 Ų | 96.3 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -79.9 | -26.6 | 175 | -71.3 | -27.7 | 0 | 0 | 0 | 113 | T7 I8 F9 | T7-N11 WeakPolarHBondContact O-CB 3.28Å; T7-N11 PolarHBondContact O-N 3.41Å; T7-N11 PolarHBondContact O-ND2 2.94Å; T7-N11 VanDerWaalsContact O-ND2 3.12Å; I8-N11 PolarHBondContact O-N 3.15Å; F9-N11 VanDerWaalsContact C-N 3.28Å; F9-N11 PolarHBondContact O-N 3.45Å |
| 12 | L | 49.2 | Very low | 58.6 | Low | 113 Ų | 113 | 87.9 Ų | 87.9 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -80.2 | -27.4 | 179.3 | -88.5 | 152.3 | 0 | 0 | 0 | 113 | I8 F9 | I8-L12 HydrophobicContact CG2-CD1 3.8Å; I8-L12 WeakPolarHBondContact O-CD1 3.4Å; I8-L12 PolarHBondContact O-N 3.32Å; I8-L12 VanDerWaalsContact O-N 3.15Å; F9-L12 PolarHBondContact O-N 3.17Å |
| 13 | F | 46.2 | Very low | 60.8 | Low | 143 Ų | 143 | 84.1 Ų | 84.1 | 63% | 0.627 | 49% | 0.489 | S | S | * | . | trans | -130.9 | 101.5 | 175.8 | -63.9 | -87.3 | 0 | 0 | 0 | 108.6 | F9 A15 | F9-F13 PolarHBondContact O-N 3.26Å; F9-F13 VanDerWaalsContact O-N 3.17Å; F13-A15 PolarHBondContact O-N 2.71Å | ||
| 14 | P | 47.2 | Very low | 63.2 | Low | 118 Ų | 118 | 79.2 Ų | 79.2 | 77% | 0.766 | 46% | 0.456 | S | S | * | . | trans | -68.7 | 70.1 | 155.6 | 30.8 | -30.4 | 0 | 0 | 0 | 106.3 | A16 | P14-A16 PolarHBondContact O-N 2.87Š| ||
| 15 | A | 48 | Very low | 65.5 | Low | 73 Ų | 73 | 73.6 Ų | 73.6 | 60% | 0.603 | 43% | 0.426 | S | S | * | . | trans | -48.3 | 115.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 103.8 | F13 C17 | F13-A15 PolarHBondContact O-N 2.71Å; A15-C17 PolarHBondContact O-N 3.14Å; A15-C17 PolarHBondContact O-SG 3.36Å; A15-C17 VanDerWaalsContact O-SG 3.42Å | ||
| 16 | A | 53 | Low | 67.7 | Low | 48 Ų | 48 | 70.3 Ų | 70.3 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | trans | -35.4 | 105.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | P14 T18 | P14-A16 PolarHBondContact O-N 2.87Å; A16-T18 HydrophobicContact CB-CG2 4.37Å; A16-T18 WeakPolarHBondContact O-CG2 2.95Å; A16-T18 PolarHBondContact O-N 2.94Å | ||
| 17 | C | 62.2 | Low | 69.9 | Low | 48 Ų | 48 | 65 Ų | 65 | 32% | 0.324 | 38% | 0.378 | S | S | . | . | trans | -68.2 | 109.5 | -175.6 | -52.1 | 0 | 0 | 0 | 0 | 105 | A15 H21 E22 | A15-C17 PolarHBondContact O-N 3.14Å; A15-C17 PolarHBondContact O-SG 3.36Å; A15-C17 VanDerWaalsContact O-SG 3.42Å; C17-H21 VanDerWaalsContact CB-C 3.5Å; C17-H21 HydrophobicContact CB-CB 3.78Å; C17-H21 WeakPolarHBondContact CB-O 3.4Å; C17-E22 WeakPolarHBondContact O-CA 3.39Å | ||
| 18 | T | 68.3 | Low | 72.2 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 60% | 0.595 | 36% | 0.36 | S | S | * | . | trans | -113.8 | 167 | -178.1 | 53 | 0 | 0 | 0 | 0 | 109.4 | A16 A20 H21 | A16-T18 HydrophobicContact CB-CG2 4.37Å; A16-T18 WeakPolarHBondContact O-CG2 2.95Å; A16-T18 PolarHBondContact O-N 2.94Å; T18-A20 PolarHBondContact O-N 3.44Å; T18-H21 PolarHBondContact O-N 2.94Å; T18-H21 VanDerWaalsContact O-N 3.15Å | ||
| 19 | G | 81.5 | Confident | 74.5 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | 60.4 | -137.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H21 E22 G97 L98 | G19-H21 PolarHBondContact O-N 3.23Å; G19-E22 WeakPolarHBondContact O-CB 3.36Å; G19-E22 PolarHBondContact O-N 3.27Å; G19-G97 CarbonylContact O-C 3.58Å; G19-L98 WeakPolarHBondContact O-CA 3.47Å |
| 20 | A | 85.8 | Confident | 77 | Confident | 35 Ų | 35 | 52.3 Ų | 52.3 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -61.5 | -7.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T18 Q96 Y168 | T18-A20 PolarHBondContact O-N 3.44Å; A20-Q96 PolarHBondContact O-NE2 2.98Å; A20-Y168 HydrophobicContact CB-CD1 3.88Å; A20-Y168 HydrophobicContact CB-CE1 3.77Å; A20-Y168 HydrophobicContact CB-CE2 4.46Å; A20-Y168 HydrophobicContact CB-CG 4.27Å |
| 21 | H | 90.7 | Very high | 79.3 | Confident | 117 Ų | 117 | 50 Ų | 50 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -98.5 | -9.3 | 176.6 | -59.6 | -63.7 | 0 | 0 | 0 | 113.7 | C17 T18 G19 R23 Q96 | C17-H21 VanDerWaalsContact CB-C 3.5Å; C17-H21 HydrophobicContact CB-CB 3.78Å; C17-H21 WeakPolarHBondContact CB-O 3.4Å; T18-H21 PolarHBondContact O-N 2.94Å; T18-H21 VanDerWaalsContact O-N 3.15Å; G19-H21 PolarHBondContact O-N 3.23Å; H21-R23 PolarHBondContact O-N 3.42Å; H21-Q96 WeakPolarHBondContact O-CG 3.42Å |
| 22 | E | 96.9 | Very high | 81.7 | Confident | 21 Ų | 21 | 44.4 Ų | 44.4 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | trans | -53.1 | 140.8 | 176 | -174.2 | -175.7 | 103 | 0 | 0 | 110.9 | C17 G19 Q96 G97 D99 V100 V101 V140 | C17-E22 WeakPolarHBondContact O-CA 3.39Å; G19-E22 WeakPolarHBondContact O-CB 3.36Å; G19-E22 PolarHBondContact O-N 3.27Å; E22-Q96 CarbonylContact O-C 3.54Å; E22-Q96 WeakPolarHBondContact O-CA 3.42Å; E22-Q96 VanDerWaalsContact O-CG 3.3Å; E22-Q96 WeakPolarHBondContact O-CG 3.38Å; E22-G97 PolarHBondContact O-N 3.43Å; E22-D99 VanDerWaalsContact OE1-C 3.29Å; E22-V100 HydrophobicContact CB-CG1 4.11Å; E22-V100 HydrophobicContact CG-CG1 3.89Å; E22-V100 WeakPolarHBondContact O-CG1 3.5Å; E22-V100 PolarHBondContact OE1-N 2.6Å; E22-V101 HydrophobicContact CG-CG2 4.32Å; E22-V101 WeakPolarHBondContact OE1-CB 3.49Å; E22-V101 WeakPolarHBondContact OE1-CG2 3.44Å; E22-V101 PolarHBondContact OE1-N 3.41Å; E22-V140 HydrophobicContact CG-CG2 4.41Å; E22-V140 WeakPolarHBondContact OE2-CG2 3.43Å | ||
| 23 | R | 98.3 | Very high | 84.1 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.3 | 179.8 | -67.1 | 177.4 | -179.5 | 172.9 | -1.4 | 111 | H21 V94 W95 Q96 A143 I147 | H21-R23 PolarHBondContact O-N 3.42Å; R23-V94 HydrophobicContact CB-CG1 4.12Å; R23-V94 HydrophobicContact CG-CG1 4.4Å; R23-W95 CarbonylContact C-O 3.57Å; R23-W95 WeakPolarHBondContact CA-O 3.36Å; R23-Q96 HydrophobicContact CG-CB 3.99Å; R23-Q96 HydrophobicContact CG-CG 3.84Å; R23-Q96 VanDerWaalsContact NH2-OE1 3.11Å; R23-A143 WeakPolarHBondContact O-CB 2.97Å; R23-I147 HydrophobicContact CB-CD1 3.67Å |
| 24 | T | 98.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.2 | 172.6 | -169.8 | 0 | 0 | 0 | 0 | 111.1 | L26 V94 W95 V100 | T24-L26 HydrophobicContact CG2-CD2 4.1Å; T24-L26 HydrophobicContact CG2-CG 4.05Å; T24-V94 WeakPolarHBondContact O-CA 3.16Å; T24-W95 HydrophobicContact CG2-CB 4.06Å; T24-W95 PolarHBondContact N-O 2.76Å; T24-W95 PolarHBondContact O-N 3.31Å; T24-W95 VanDerWaalsContact O-N 3.09Å; T24-V100 HydrophobicContact CG2-CB 4.43Å; T24-V100 HydrophobicContact CG2-CG1 4.1Å; T24-V100 HydrophobicContact CG2-CG2 3.67Å |
| 25 | F | 98.8 | Very high | 89 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.5 | 169.6 | 174.5 | -96.1 | 0 | 0 | 0 | 109.7 | A27 H68 A92 H135 G136 S137 E146 I147 W150 F151 | F25-A27 HydrophobicContact CE1-CB 3.82Å; F25-A27 HydrophobicContact CZ-CB 3.85Å; F25-H68 AromaticContact CD1-CE1 3.95Å; F25-H68 AromaticContact CE1-CE1 3.59Å; F25-A92 HydrophobicContact CE2-CB 3.96Å; F25-A92 HydrophobicContact CZ-CB 4.23Å; F25-H135 AromaticContact CD1-CD2 3.7Å; F25-H135 AromaticContact CE1-CD2 3.78Å; F25-G136 WeakPolarHBondContact O-CA 3.41Å; F25-S137 WeakPolarHBondContact CB-OG 3.37Å; F25-S137 PolarHBondContact N-OG 2.77Å; F25-S137 PolarHBondContact O-N 2.93Å; F25-S137 VanDerWaalsContact O-N 3.13Å; F25-S137 PolarHBondContact O-OG 2.97Å; F25-S137 VanDerWaalsContact O-OG 3.08Å; F25-E146 HydrophobicContact CB-CB 3.69Å; F25-E146 HydrophobicContact CD1-CB 3.84Å; F25-E146 HydrophobicContact CD1-CG 4.45Å; F25-E146 WeakPolarHBondContact CD1-OE2 3.43Å; F25-E146 HydrophobicContact CG-CB 3.8Å; F25-I147 HydrophobicContact CB-CG1 3.93Å; F25-W150 HydrophobicContact CD2-CB 4.2Å; F25-W150 HydrophobicContact CD2-CG 4.25Å; F25-W150 HydrophobicContact CE1-CD2 4.48Å; F25-W150 HydrophobicContact CE1-CG 4.43Å; F25-W150 AromaticContact CE1-NE1 3.96Å; F25-W150 HydrophobicContact CE2-CB 3.5Å; F25-W150 AromaticContact CE2-CD1 3.69Å; F25-W150 AromaticContact CE2-CD2 3.75Å; F25-W150 HydrophobicContact CE2-CD2 3.75Å; F25-W150 HydrophobicContact CE2-CE3 4.36Å; F25-W150 AromaticContact CE2-CG 3.34Å; F25-W150 HydrophobicContact CE2-CG 3.34Å; F25-W150 HydrophobicContact CZ-CB 4.15Å; F25-W150 AromaticContact CZ-CD1 3.56Å; F25-W150 AromaticContact CZ-CD2 3.44Å; F25-W150 HydrophobicContact CZ-CD2 3.44Å; F25-W150 VanDerWaalsContact CZ-CD2 3.44Å; F25-W150 AromaticContact CZ-CE2 3.53Å; F25-W150 HydrophobicContact CZ-CE3 4.08Å; F25-W150 AromaticContact CZ-CG 3.45Å; F25-W150 HydrophobicContact CZ-CG 3.45Å; F25-W150 VanDerWaalsContact CZ-CG 3.45Å; F25-W150 HydrophobicContact CZ-CZ2 4.21Å; F25-W150 AromaticContact CZ-NE1 3.58Å; F25-F151 HydrophobicContact CD2-CE2 4.16Å; F25-F151 AromaticContact CE2-CE2 3.96Å; F25-F151 HydrophobicContact CE2-CE2 3.96Å |
| 26 | L | 98.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.6 | 172.7 | -57.3 | -172.4 | 0 | 0 | 0 | 109.6 | T24 F45 M93 W95 I108 H135 | T24-L26 HydrophobicContact CG2-CD2 4.1Å; T24-L26 HydrophobicContact CG2-CG 4.05Å; L26-F45 HydrophobicContact CD1-CD1 3.85Å; L26-F45 HydrophobicContact CD1-CD2 3.83Å; L26-F45 HydrophobicContact CD1-CE1 3.43Å; L26-F45 VanDerWaalsContact CD1-CE1 3.43Å; L26-F45 HydrophobicContact CD1-CE2 3.41Å; L26-F45 VanDerWaalsContact CD1-CE2 3.41Å; L26-F45 HydrophobicContact CD1-CG 4.05Å; L26-F45 HydrophobicContact CD1-CZ 3.21Å; L26-M93 HydrophobicContact CB-CE 3.94Å; L26-M93 PolarHBondContact N-O 3.07Å; L26-M93 PolarHBondContact O-N 3.36Å; L26-M93 VanDerWaalsContact O-O 3.1Å; L26-W95 VanDerWaalsContact CD1-CD1 3.45Å; L26-W95 HydrophobicContact CD1-CG 4.2Å; L26-I108 HydrophobicContact CD2-CD1 3.92Å; L26-H135 WeakPolarHBondContact CA-O 3.42Å |
| 27 | A | 98.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 124.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F25 K29 V90 V91 I134 H135 | F25-A27 HydrophobicContact CE1-CB 3.82Å; F25-A27 HydrophobicContact CZ-CB 3.85Å; A27-K29 PolarHBondContact O-N 3.09Å; A27-V90 HydrophobicContact CB-CG1 3.87Å; A27-V91 CarbonylContact C-O 3.58Å; A27-V91 VanDerWaalsContact CA-O 3.26Å; A27-V91 WeakPolarHBondContact CA-O 3.45Å; A27-I134 CarbonylContact O-C 3.58Å; A27-I134 WeakPolarHBondContact O-CA 3.3Å; A27-H135 HydrophobicContact CB-CB 4.22Å; A27-H135 PolarHBondContact N-O 2.94Å; A27-H135 PolarHBondContact O-N 2.66Å |
| 28 | V | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.9 | 166.9 | -173.1 | 0 | 0 | 0 | 0 | 107.9 | V33 V38 I41 V90 V91 M93 | V28-V33 HydrophobicContact CB-CG2 4.38Å; V28-V33 HydrophobicContact CG1-CG2 4.02Å; V28-V38 HydrophobicContact CG1-CG2 4.2Å; V28-I41 HydrophobicContact CB-CD1 4.06Å; V28-I41 HydrophobicContact CG1-CD1 3.43Å; V28-I41 VanDerWaalsContact CG1-CD1 3.43Å; V28-I41 HydrophobicContact CG2-CB 4.33Å; V28-I41 HydrophobicContact CG2-CD1 3.55Å; V28-I41 HydrophobicContact CG2-CG2 4.04Å; V28-V90 WeakPolarHBondContact O-CA 3.34Å; V28-V90 WeakPolarHBondContact O-CG1 3.2Å; V28-V91 HydrophobicContact CB-CB 4.02Å; V28-V91 HydrophobicContact CG2-CB 4.14Å; V28-V91 PolarHBondContact N-O 3.12Å; V28-V91 PolarHBondContact O-N 3.5Å; V28-V91 VanDerWaalsContact O-N 3.11Å; V28-M93 HydrophobicContact CG2-CE 3.74Å |
| 29 | K | 98.8 | Very high | 96.8 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | trans | -75.1 | 167 | -176.2 | -59 | -170.3 | 176.4 | -175.1 | 0 | 111.2 | A27 D31 G32 V33 Y84 M85 N132 L133 | A27-K29 PolarHBondContact O-N 3.09Å; K29-D31 VanDerWaalsContact CB-OD1 3.29Å; K29-D31 WeakPolarHBondContact CB-OD1 3.36Å; K29-D31 PolarHBondContact O-N 2.82Å; K29-D31 VanDerWaalsContact O-N 3.16Å; K29-G32 PolarHBondContact O-N 3.25Å; K29-V33 PolarHBondContact O-N 3.01Å; K29-V33 VanDerWaalsContact O-N 3.11Å; K29-Y84 HydrophobicContact CB-CE1 4.4Å; K29-Y84 HydrophobicContact CD-CE1 3.82Å; K29-M85 HydrophobicContact CB-SD 3.89Å; K29-M85 HydrophobicContact CD-SD 3.65Å; K29-M85 HydrophobicContact CG-CE 4.05Å; K29-M85 HydrophobicContact CG-SD 3.54Å; K29-M85 VanDerWaalsContact CG-SD 3.54Å; K29-N132 PolarHBondContact NZ-OD1 3.07Å; K29-L133 WeakPolarHBondContact CB-O 3.47Å; K29-L133 PolarHBondContact N-O 2.79Å | ||
| 30 | P | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.4 | -34.6 | -175.5 | -30.4 | 39.3 | 0 | 0 | 0 | 114.8 | V33 Q34 M85 P89 V90 | P30-V33 PolarHBondContact O-N 3.22Å; P30-Q34 WeakPolarHBondContact O-CB 2.93Å; P30-Q34 VanDerWaalsContact O-CG 3.29Å; P30-Q34 WeakPolarHBondContact O-CG 3.41Å; P30-Q34 PolarHBondContact O-N 2.93Å; P30-M85 WeakPolarHBondContact CG-O 3.46Å; P30-P89 WeakPolarHBondContact CA-O 3.37Å; P30-V90 HydrophobicContact CG-CG2 4.03Å |
| 31 | D | 98.5 | Very high | 98.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.9 | 67.5 | -32.3 | 0 | 0 | 0 | 112.6 | K29 V33 Q34 R35 Y84 K131 L133 | K29-D31 VanDerWaalsContact CB-OD1 3.29Å; K29-D31 WeakPolarHBondContact CB-OD1 3.36Å; K29-D31 PolarHBondContact O-N 2.82Å; K29-D31 VanDerWaalsContact O-N 3.16Å; D31-V33 VanDerWaalsContact C-N 3.34Å; D31-V33 PolarHBondContact O-N 2.87Å; D31-Q34 PolarHBondContact O-N 3.48Å; D31-R35 WeakPolarHBondContact O-CB 3.35Å; D31-R35 WeakPolarHBondContact O-CD 3.19Å; D31-R35 WeakPolarHBondContact O-CG 3.34Å; D31-R35 PolarHBondContact O-N 3.02Å; D31-Y84 WeakPolarHBondContact CB-OH 3.21Å; D31-Y84 PolarHBondContact OD1-OH 2.99Å; D31-Y84 PolarHBondContact OD2-OH 2.87Å; D31-K131 HydrophobicContact CB-CB 4.38Å; D31-K131 VanDerWaalsContact OD2-C 3.22Å; D31-L133 VanDerWaalsContact OD1-CA 3.27Å; D31-L133 WeakPolarHBondContact OD1-CA 3.4Å; D31-L133 WeakPolarHBondContact OD2-CA 3.5Å; D31-L133 PolarHBondContact OD2-N 3.09Å; D31-L133 VanDerWaalsContact OD2-N 3.08Å |
| 32 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K29 R36 L37 | K29-G32 PolarHBondContact O-N 3.25Å; G32-R36 PolarHBondContact O-N 3.47Å; G32-L37 PolarHBondContact O-N 3.26Å |
| 33 | V | 98.7 | Very high | 98.7 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 16% | 0.164 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.4 | -50.9 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 111 | V28 K29 P30 D31 R35 R36 V38 L57 P89 V91 | V28-V33 HydrophobicContact CB-CG2 4.38Å; V28-V33 HydrophobicContact CG1-CG2 4.02Å; K29-V33 PolarHBondContact O-N 3.01Å; K29-V33 VanDerWaalsContact O-N 3.11Å; P30-V33 PolarHBondContact O-N 3.22Å; D31-V33 VanDerWaalsContact C-N 3.34Å; D31-V33 PolarHBondContact O-N 2.87Å; V33-R35 PolarHBondContact O-N 3.43Å; V33-R36 PolarHBondContact O-N 3.03Å; V33-V38 HydrophobicContact CB-CG2 4.42Å; V33-V38 HydrophobicContact CG1-CG2 4.49Å; V33-V38 HydrophobicContact CG2-CG2 4.02Å; V33-L57 HydrophobicContact CG1-CD1 4.31Å; V33-P89 HydrophobicContact CB-CG 4.32Å; V33-P89 HydrophobicContact CG1-CB 4.31Å; V33-P89 HydrophobicContact CG1-CG 3.74Å; V33-P89 WeakPolarHBondContact CG2-O 3.17Å; V33-V91 HydrophobicContact CG2-CG2 3.97Å |
| 34 | Q | 98.4 | Very high | 98.7 | Very high | 125 Ų | 125 | 41.8 Ų | 41.8 | 58% | 0.584 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.3 | -32.4 | -179.9 | -72.6 | -174.8 | 41.7 | 0 | 0 | 113 | P30 D31 R36 | P30-Q34 WeakPolarHBondContact O-CB 2.93Å; P30-Q34 VanDerWaalsContact O-CG 3.29Å; P30-Q34 WeakPolarHBondContact O-CG 3.41Å; P30-Q34 PolarHBondContact O-N 2.93Å; D31-Q34 PolarHBondContact O-N 3.48Å; Q34-R36 PolarHBondContact O-N 2.91Å |
| 35 | R | 98.4 | Very high | 98.7 | Very high | 117 Ų | 117 | 41.7 Ų | 41.7 | 44% | 0.442 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.2 | 176.3 | -67.3 | 170 | 64.8 | -164.9 | -0.3 | 113.7 | D31 V33 L37 F125 | D31-R35 WeakPolarHBondContact O-CB 3.35Å; D31-R35 WeakPolarHBondContact O-CD 3.19Å; D31-R35 WeakPolarHBondContact O-CG 3.34Å; D31-R35 PolarHBondContact O-N 3.02Å; V33-R35 PolarHBondContact O-N 3.43Å; R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 HydrophobicContact CB-CD1 3.9Å; R35-L37 HydrophobicContact CB-CG 3.99Å; R35-L37 PolarHBondContact O-N 2.96Å; R35-F125 VanDerWaalsContact CZ-O 3.29Å; R35-F125 PolarHBondContact NH1-O 2.92Å; R35-F125 PolarHBondContact NH2-O 3.38Å |
| 36 | R | 98.6 | Very high | 98.7 | Very high | 219 Ų | 219 | 46.8 Ų | 46.8 | 83% | 0.826 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 34.3 | 179.1 | -54.9 | 172 | 175.1 | 76.2 | -1.7 | 113.1 | G32 V33 Q34 | G32-R36 PolarHBondContact O-N 3.47Å; V33-R36 PolarHBondContact O-N 3.03Å; Q34-R36 PolarHBondContact O-N 2.91Å |
| 37 | L | 98.7 | Very high | 98.6 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | trans | -96.9 | 3 | -177.8 | -63.1 | 174.6 | 0 | 0 | 0 | 113.5 | G32 R35 G39 E40 I41 F125 L133 | G32-L37 PolarHBondContact O-N 3.26Å; R35-L37 VanDerWaalsContact C-N 3.27Å; R35-L37 HydrophobicContact CB-CD1 3.9Å; R35-L37 HydrophobicContact CB-CG 3.99Å; R35-L37 PolarHBondContact O-N 2.96Å; L37-G39 PolarHBondContact O-N 2.94Å; L37-E40 HydrophobicContact CD2-CB 4.48Å; L37-E40 PolarHBondContact O-N 3.15Å; L37-I41 HydrophobicContact CB-CD1 4.34Å; L37-I41 WeakPolarHBondContact O-CD1 3.33Å; L37-I41 WeakPolarHBondContact O-CG1 2.98Å; L37-I41 PolarHBondContact O-N 3.47Å; L37-F125 HydrophobicContact CD1-CB 4.32Å; L37-F125 HydrophobicContact CD1-CG 4.42Å; L37-L133 HydrophobicContact CD1-CD1 3.42Å; L37-L133 VanDerWaalsContact CD1-CD1 3.42Å; L37-L133 HydrophobicContact CD1-CG 4.34Å | ||
| 38 | V | 98.9 | Very high | 98.5 | Very high | 38 Ų | 38 | 61.8 Ų | 61.8 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.7 | -52.5 | 178.1 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | V28 V33 E40 I41 V42 V91 | V28-V38 HydrophobicContact CG1-CG2 4.2Å; V33-V38 HydrophobicContact CB-CG2 4.42Å; V33-V38 HydrophobicContact CG1-CG2 4.49Å; V33-V38 HydrophobicContact CG2-CG2 4.02Å; V38-E40 VanDerWaalsContact C-N 3.32Å; V38-E40 PolarHBondContact O-N 2.94Å; V38-I41 PolarHBondContact O-N 2.68Å; V38-V42 HydrophobicContact CG1-CG2 4.37Å; V38-V42 VanDerWaalsContact O-CG2 3.32Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 3.45Å; V38-V91 HydrophobicContact CG1-CB 4.47Å; V38-V91 HydrophobicContact CG1-CG1 4.29Å; V38-V91 HydrophobicContact CG1-CG2 4Å; V38-V91 HydrophobicContact CG2-CG2 3.82Å |
| 39 | G | 98.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -38 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L37 R43 | L37-G39 PolarHBondContact O-N 2.94Å; G39-R43 WeakPolarHBondContact O-CB 3.14Å; G39-R43 PolarHBondContact O-N 3.33Å |
| 40 | E | 98.8 | Very high | 98.4 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 176.2 | 177 | 57.7 | -163.4 | 0 | 0 | 111.4 | L37 V38 R43 R44 F125 | L37-E40 HydrophobicContact CD2-CB 4.48Å; L37-E40 PolarHBondContact O-N 3.15Å; V38-E40 VanDerWaalsContact C-N 3.32Å; V38-E40 PolarHBondContact O-N 2.94Å; E40-R43 VanDerWaalsContact CD-NH1 3.32Å; E40-R43 WeakPolarHBondContact O-CB 3.45Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-R43 IonicContact OE1-NH1 2.69Å; E40-R43 PolarHBondContact OE1-NH1 3.28Å; E40-R43 VanDerWaalsContact OE1-NH1 3.17Å; E40-R43 IonicContact OE2-CZ 3.09Å; E40-R43 IonicContact OE2-NH1 3.28Å; E40-R43 PolarHBondContact OE2-NH1 2.88Å; E40-R44 WeakPolarHBondContact O-CG 3.3Å; E40-R44 PolarHBondContact O-N 2.9Å; E40-R44 IonicContact OE1-CZ 2.95Å; E40-R44 VanDerWaalsContact OE1-CZ 3.28Å; E40-R44 IonicContact OE1-NE 3.3Å; E40-R44 PolarHBondContact OE1-NE 3.45Å; E40-R44 IonicContact OE1-NH2 2.79Å; E40-R44 PolarHBondContact OE1-NH2 2.83Å; E40-F125 HydrophobicContact CG-CE2 3.69Å; E40-F125 HydrophobicContact CG-CZ 3.54Å |
| 41 | I | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 178.3 | -66.8 | 159.8 | 0 | 0 | 0 | 111 | V28 L37 V38 R43 R44 F45 M93 I121 L133 I134 | V28-I41 HydrophobicContact CB-CD1 4.06Å; V28-I41 HydrophobicContact CG1-CD1 3.43Å; V28-I41 VanDerWaalsContact CG1-CD1 3.43Å; V28-I41 HydrophobicContact CG2-CB 4.33Å; V28-I41 HydrophobicContact CG2-CD1 3.55Å; V28-I41 HydrophobicContact CG2-CG2 4.04Å; L37-I41 HydrophobicContact CB-CD1 4.34Å; L37-I41 WeakPolarHBondContact O-CD1 3.33Å; L37-I41 WeakPolarHBondContact O-CG1 2.98Å; L37-I41 PolarHBondContact O-N 3.47Å; V38-I41 PolarHBondContact O-N 2.68Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.09Å; I41-R44 WeakPolarHBondContact O-CB 3.36Å; I41-R44 PolarHBondContact O-N 3.17Å; I41-F45 HydrophobicContact CG2-CD2 4.1Å; I41-F45 HydrophobicContact CG2-CE2 3.69Å; I41-F45 WeakPolarHBondContact O-CD2 3.47Å; I41-F45 PolarHBondContact O-N 3.47Å; I41-M93 HydrophobicContact CG2-CE 4.23Å; I41-I121 HydrophobicContact CG1-CG2 4.41Å; I41-I121 HydrophobicContact CG2-CD1 4.4Å; I41-L133 HydrophobicContact CD1-CD2 3.24Å; I41-L133 HydrophobicContact CD1-CG 4.38Å; I41-L133 HydrophobicContact CG1-CD2 3.73Å; I41-I134 HydrophobicContact CG2-CD1 3.51Å |
| 42 | V | 98.9 | Very high | 98.3 | Very high | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.6 | -48.4 | 177.7 | 168.5 | 0 | 0 | 0 | 0 | 109.5 | V38 R44 F45 E46 L55 M93 W95 | V38-V42 HydrophobicContact CG1-CG2 4.37Å; V38-V42 VanDerWaalsContact O-CG2 3.32Å; V38-V42 WeakPolarHBondContact O-CG2 3.43Å; V38-V42 PolarHBondContact O-N 3.45Å; V42-R44 VanDerWaalsContact C-N 3.28Å; V42-R44 PolarHBondContact O-N 2.85Å; V42-F45 PolarHBondContact O-N 3.24Å; V42-E46 HydrophobicContact CG1-CG 4.06Å; V42-E46 WeakPolarHBondContact O-CG 3.22Å; V42-E46 PolarHBondContact O-N 3.08Å; V42-L55 HydrophobicContact CG2-CD1 4.29Å; V42-M93 HydrophobicContact CG2-SD 3.77Å; V42-W95 HydrophobicContact CB-CZ2 4.47Å; V42-W95 HydrophobicContact CG1-CH2 4.06Å; V42-W95 HydrophobicContact CG1-CZ2 4.18Å; V42-W95 HydrophobicContact CG2-CZ2 4.45Å |
| 43 | R | 98.7 | Very high | 98.3 | Very high | 130 Ų | 130 | 65.1 Ų | 65.1 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.7 | -38.8 | 175.9 | 174.2 | -178.7 | 161.7 | -105.1 | -6 | 112.6 | G39 E40 I41 F45 R47 | G39-R43 WeakPolarHBondContact O-CB 3.14Å; G39-R43 PolarHBondContact O-N 3.33Å; E40-R43 VanDerWaalsContact CD-NH1 3.32Å; E40-R43 WeakPolarHBondContact O-CB 3.45Å; E40-R43 PolarHBondContact O-N 2.98Å; E40-R43 IonicContact OE1-NH1 2.69Å; E40-R43 PolarHBondContact OE1-NH1 3.28Å; E40-R43 VanDerWaalsContact OE1-NH1 3.17Å; E40-R43 IonicContact OE2-CZ 3.09Å; E40-R43 IonicContact OE2-NH1 3.28Å; E40-R43 PolarHBondContact OE2-NH1 2.88Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.09Å; R43-F45 VanDerWaalsContact C-N 3.33Å; R43-F45 PolarHBondContact O-N 2.9Å; R43-R47 HydrophobicContact CG-CG 4.02Å; R43-R47 VanDerWaalsContact O-CB 3.22Å; R43-R47 WeakPolarHBondContact O-CB 3.37Å; R43-R47 WeakPolarHBondContact O-CG 3.49Å; R43-R47 PolarHBondContact O-N 3.39Å |
| 44 | R | 98.7 | Very high | 98.3 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 19% | 0.185 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 177.3 | -63.5 | -69.9 | 178 | 104.5 | -4 | 112 | E40 I41 V42 K48 G119 I121 D124 | E40-R44 WeakPolarHBondContact O-CG 3.3Å; E40-R44 PolarHBondContact O-N 2.9Å; E40-R44 IonicContact OE1-CZ 2.95Å; E40-R44 VanDerWaalsContact OE1-CZ 3.28Å; E40-R44 IonicContact OE1-NE 3.3Å; E40-R44 PolarHBondContact OE1-NE 3.45Å; E40-R44 IonicContact OE1-NH2 2.79Å; E40-R44 PolarHBondContact OE1-NH2 2.83Å; I41-R44 WeakPolarHBondContact O-CB 3.36Å; I41-R44 PolarHBondContact O-N 3.17Å; V42-R44 VanDerWaalsContact C-N 3.28Å; V42-R44 PolarHBondContact O-N 2.85Å; R44-K48 PolarHBondContact O-N 3.41Å; R44-G119 PolarHBondContact NH1-O 2.99Å; R44-I121 HydrophobicContact CB-CD1 4.39Å; R44-I121 HydrophobicContact CG-CD1 4.44Å; R44-I121 HydrophobicContact CG-CG1 4.17Å; R44-D124 IonicContact CZ-OD2 2.92Å; R44-D124 VanDerWaalsContact CZ-OD2 3.3Å; R44-D124 IonicContact NH1-OD2 2.91Å; R44-D124 PolarHBondContact NH1-OD2 3.49Å; R44-D124 IonicContact NH2-OD2 2.77Å; R44-D124 PolarHBondContact NH2-OD2 3.11Å |
| 45 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -78.4 | -38.7 | -179.1 | -64.2 | -71.8 | 0 | 0 | 0 | 112.4 | L26 I41 V42 R43 R47 K48 G49 F50 W95 L107 I108 I121 I134 | L26-F45 HydrophobicContact CD1-CD1 3.85Å; L26-F45 HydrophobicContact CD1-CD2 3.83Å; L26-F45 HydrophobicContact CD1-CE1 3.43Å; L26-F45 VanDerWaalsContact CD1-CE1 3.43Å; L26-F45 HydrophobicContact CD1-CE2 3.41Å; L26-F45 VanDerWaalsContact CD1-CE2 3.41Å; L26-F45 HydrophobicContact CD1-CG 4.05Å; L26-F45 HydrophobicContact CD1-CZ 3.21Å; I41-F45 HydrophobicContact CG2-CD2 4.1Å; I41-F45 HydrophobicContact CG2-CE2 3.69Å; I41-F45 WeakPolarHBondContact O-CD2 3.47Å; I41-F45 PolarHBondContact O-N 3.47Å; V42-F45 PolarHBondContact O-N 3.24Å; R43-F45 VanDerWaalsContact C-N 3.33Å; R43-F45 PolarHBondContact O-N 2.9Å; F45-R47 PolarHBondContact O-N 2.82Å; F45-K48 WeakPolarHBondContact O-CB 3.35Å; F45-K48 PolarHBondContact O-N 3.38Å; F45-G49 PolarHBondContact O-N 3Å; F45-F50 HydrophobicContact CB-CD2 4.49Å; F45-F50 HydrophobicContact CD1-CD2 4Å; F45-F50 HydrophobicContact CD1-CE2 4.43Å; F45-F50 PolarHBondContact O-N 3.46Å; F45-F50 VanDerWaalsContact O-N 3.17Å; F45-W95 HydrophobicContact CB-CD2 3.75Å; F45-W95 HydrophobicContact CB-CE3 3.77Å; F45-W95 HydrophobicContact CB-CH2 3.77Å; F45-W95 HydrophobicContact CB-CZ2 3.73Å; F45-W95 HydrophobicContact CB-CZ3 3.77Å; F45-W95 HydrophobicContact CD2-CZ2 4.41Å; F45-W95 HydrophobicContact CG-CD2 4.32Å; F45-W95 HydrophobicContact CG-CZ2 4.43Å; F45-L107 HydrophobicContact CD1-CD1 3.93Å; F45-L107 HydrophobicContact CE1-CB 4.26Å; F45-L107 HydrophobicContact CE1-CD1 3.97Å; F45-I108 HydrophobicContact CZ-CD1 4.46Å; F45-I108 HydrophobicContact CZ-CG1 4.09Å; F45-I121 HydrophobicContact CE2-CD1 3.77Å; F45-I121 HydrophobicContact CZ-CD1 3.74Å; F45-I134 HydrophobicContact CE2-CD1 3.68Å; F45-I134 HydrophobicContact CZ-CD1 3.94Å |
| 46 | E | 98.2 | Very high | 98.3 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 172.5 | -66.4 | 178.4 | 151.8 | 0 | 0 | 111.2 | V42 K48 G49 W95 | V42-E46 HydrophobicContact CG1-CG 4.06Å; V42-E46 WeakPolarHBondContact O-CG 3.22Å; V42-E46 PolarHBondContact O-N 3.08Å; E46-K48 PolarHBondContact O-N 3.4Å; E46-G49 WeakPolarHBondContact O-CA 3.34Å; E46-G49 PolarHBondContact O-N 2.83Å; E46-W95 HydrophobicContact CG-CH2 3.66Å; E46-W95 HydrophobicContact CG-CZ3 3.97Å |
| 47 | R | 97.6 | Very high | 98.3 | Very high | 204 Ų | 204 | 54.2 Ų | 54.2 | 77% | 0.77 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.5 | -19.7 | 178.7 | -69.4 | -54.9 | -54.9 | -159.4 | -0.1 | 113.4 | R43 F45 G49 | R43-R47 HydrophobicContact CG-CG 4.02Å; R43-R47 VanDerWaalsContact O-CB 3.22Å; R43-R47 WeakPolarHBondContact O-CB 3.37Å; R43-R47 WeakPolarHBondContact O-CG 3.49Å; R43-R47 PolarHBondContact O-N 3.39Å; F45-R47 PolarHBondContact O-N 2.82Å; R47-G49 VanDerWaalsContact C-N 3.26Å |
| 48 | K | 96.7 | Very high | 98.3 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74 | -19.4 | 170.3 | -174.8 | 57.1 | 176.5 | 166.8 | 0 | 112.3 | R44 F45 E46 F50 T103 L107 | R44-K48 PolarHBondContact O-N 3.41Å; F45-K48 WeakPolarHBondContact O-CB 3.35Å; F45-K48 PolarHBondContact O-N 3.38Å; E46-K48 PolarHBondContact O-N 3.4Å; K48-F50 HydrophobicContact CB-CD2 4.15Å; K48-F50 HydrophobicContact CB-CE2 4.29Å; K48-F50 HydrophobicContact CG-CD2 3.99Å; K48-F50 HydrophobicContact CG-CE1 4.35Å; K48-F50 HydrophobicContact CG-CE2 3.66Å; K48-F50 HydrophobicContact CG-CG 4.46Å; K48-F50 HydrophobicContact CG-CZ 3.85Å; K48-T103 HydrophobicContact CD-CG2 4.4Å; K48-T103 HydrophobicContact CG-CG2 4.36Å; K48-L107 HydrophobicContact CB-CD1 3.96Å; K48-L107 HydrophobicContact CD-CD1 4.41Å; K48-L107 HydrophobicContact CG-CD1 3.85Å |
| 49 | G | 96.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.4 | 14.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F45 E46 R47 | F45-G49 PolarHBondContact O-N 3Å; E46-G49 WeakPolarHBondContact O-CA 3.34Å; E46-G49 PolarHBondContact O-N 2.83Å; R47-G49 VanDerWaalsContact C-N 3.26Å |
| 50 | F | 97.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 146.3 | 172.7 | -62.9 | -37.7 | 0 | 0 | 0 | 111.3 | F45 K48 W95 V100 T103 L107 | F45-F50 HydrophobicContact CB-CD2 4.49Å; F45-F50 HydrophobicContact CD1-CD2 4Å; F45-F50 HydrophobicContact CD1-CE2 4.43Å; F45-F50 PolarHBondContact O-N 3.46Å; F45-F50 VanDerWaalsContact O-N 3.17Å; K48-F50 HydrophobicContact CB-CD2 4.15Å; K48-F50 HydrophobicContact CB-CE2 4.29Å; K48-F50 HydrophobicContact CG-CD2 3.99Å; K48-F50 HydrophobicContact CG-CE1 4.35Å; K48-F50 HydrophobicContact CG-CE2 3.66Å; K48-F50 HydrophobicContact CG-CG 4.46Å; K48-F50 HydrophobicContact CG-CZ 3.85Å; F50-W95 HydrophobicContact CB-CE3 3.76Å; F50-W95 HydrophobicContact CB-CZ3 4.47Å; F50-W95 WeakPolarHBondContact O-CZ3 3.41Å; F50-V100 HydrophobicContact CB-CG2 4.47Å; F50-V100 HydrophobicContact CD1-CB 4.26Å; F50-V100 HydrophobicContact CD1-CG2 3.79Å; F50-V100 HydrophobicContact CD2-CG2 3.77Å; F50-V100 HydrophobicContact CE1-CB 3.98Å; F50-V100 HydrophobicContact CE1-CG2 3.83Å; F50-V100 HydrophobicContact CE2-CG2 3.8Å; F50-V100 HydrophobicContact CG-CG2 3.76Å; F50-V100 HydrophobicContact CZ-CB 4.16Å; F50-V100 HydrophobicContact CZ-CG2 3.83Å; F50-T103 HydrophobicContact CE2-CG2 3.97Å; F50-T103 HydrophobicContact CZ-CG2 3.49Å; F50-T103 VanDerWaalsContact CZ-CG2 3.49Å; F50-L107 HydrophobicContact CE2-CD1 4.16Å |
| 51 | K | 97.2 | Very high | 98.2 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 10% | 0.1 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 122.4 | -176.5 | -175.8 | -174.6 | -177.3 | 175.3 | 0 | 110.5 | V53 W95 Q96 W159 D161 | K51-V53 HydrophobicContact CD-CG1 4.17Å; K51-V53 HydrophobicContact CG-CG1 4.14Å; K51-V53 PolarHBondContact O-N 2.99Å; K51-W95 CarbonylContact O-C 3.59Å; K51-W95 WeakPolarHBondContact O-CA 3.37Å; K51-Q96 HydrophobicContact CB-CB 4.33Å; K51-Q96 PolarHBondContact N-O 3.24Å; K51-Q96 PolarHBondContact O-N 2.84Å; K51-W159 HydrophobicContact CD-CZ2 4.11Å; K51-W159 VanDerWaalsContact CE-CD2 3.41Å; K51-W159 VanDerWaalsContact CE-NE1 3.34Å; K51-W159 HydrophobicContact CG-CH2 4.03Å; K51-W159 HydrophobicContact CG-CZ2 3.37Å; K51-W159 PolarHBondContact NZ-O 3.47Å; K51-D161 HydrophobicContact CD-CB 4.14Å |
| 52 | L | 98.4 | Very high | 98.1 | Very high | 44 Ų | 44 | 61.1 Ų | 61.1 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.5 | 172.7 | -174 | 62.2 | 0 | 0 | 0 | 109.7 | A54 L55 M93 W95 W159 | L52-A54 WeakPolarHBondContact CD1-O 3.46Å; L52-L55 HydrophobicContact CD1-CB 4.28Å; L52-L55 HydrophobicContact CD1-CD1 4.48Å; L52-L55 HydrophobicContact CD2-CB 4.17Å; L52-L55 HydrophobicContact CD2-CD1 3.93Å; L52-M93 HydrophobicContact CD1-CB 4.26Å; L52-W95 HydrophobicContact CB-CE3 4.11Å; L52-W95 HydrophobicContact CB-CH2 3.86Å; L52-W95 HydrophobicContact CB-CZ2 4.38Å; L52-W95 HydrophobicContact CB-CZ3 3.73Å; L52-W95 HydrophobicContact CD1-CD2 4.1Å; L52-W95 HydrophobicContact CD1-CE3 4.45Å; L52-W95 HydrophobicContact CD1-CH2 4.08Å; L52-W95 HydrophobicContact CD1-CZ2 3.72Å; L52-W95 HydrophobicContact CD1-CZ3 4.44Å; L52-W95 HydrophobicContact CD2-CH2 4.46Å; L52-W95 HydrophobicContact CG-CH2 4.36Å; L52-W95 HydrophobicContact CG-CZ2 4.45Å; L52-W159 PolarHBondContact O-NE1 3.23Å |
| 53 | V | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -14.2 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | K51 V94 Q96 L157 | K51-V53 HydrophobicContact CD-CG1 4.17Å; K51-V53 HydrophobicContact CG-CG1 4.14Å; K51-V53 PolarHBondContact O-N 2.99Å; V53-V94 HydrophobicContact CG2-CB 3.77Å; V53-V94 HydrophobicContact CG2-CG1 3.5Å; V53-V94 WeakPolarHBondContact CG2-O 3.27Å; V53-V94 PolarHBondContact N-O 3.3Å; V53-Q96 HydrophobicContact CG1-CB 3.97Å; V53-L157 PolarHBondContact O-N 2.96Å |
| 54 | A | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 144.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L52 M93 V94 F151 E155 L156 | L52-A54 WeakPolarHBondContact CD1-O 3.46Å; A54-M93 CarbonylContact O-C 3.57Å; A54-M93 VanDerWaalsContact O-CA 3.3Å; A54-M93 WeakPolarHBondContact O-CA 3.44Å; A54-V94 HydrophobicContact CB-CB 3.95Å; A54-V94 HydrophobicContact CB-CG2 3.91Å; A54-V94 PolarHBondContact N-O 2.98Å; A54-V94 PolarHBondContact O-N 3.12Å; A54-F151 HydrophobicContact CB-CD1 3.75Å; A54-F151 HydrophobicContact CB-CE1 3.56Å; A54-F151 HydrophobicContact CB-CG 4.31Å; A54-F151 HydrophobicContact CB-CZ 3.99Å; A54-E155 WeakPolarHBondContact CB-O 3.35Å; A54-L156 HydrophobicContact CB-CD2 3.75Å |
| 55 | L | 98.7 | Very high | 98.1 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 45% | 0.45 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 134 | 174 | -176.2 | 147 | 0 | 0 | 0 | 110.1 | V42 L52 V91 A92 M93 | V42-L55 HydrophobicContact CG2-CD1 4.29Å; L52-L55 HydrophobicContact CD1-CB 4.28Å; L52-L55 HydrophobicContact CD1-CD1 4.48Å; L52-L55 HydrophobicContact CD2-CB 4.17Å; L52-L55 HydrophobicContact CD2-CD1 3.93Å; L55-V91 HydrophobicContact CD1-CG1 4.1Å; L55-V91 HydrophobicContact CD2-CG1 4.19Å; L55-V91 HydrophobicContact CG-CG1 3.92Å; L55-A92 CarbonylContact C-O 3.59Å; L55-A92 WeakPolarHBondContact CA-O 3.33Å; L55-M93 HydrophobicContact CD1-CG 3.94Å; L55-M93 HydrophobicContact CD1-SD 4.1Å; L55-M93 HydrophobicContact CG-CG 4.1Å |
| 56 | K | 98.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 66 Ų | 66 | 22% | 0.222 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 142.9 | 168.9 | 58.7 | -176.6 | 173.2 | -168.3 | 0 | 113.1 | V58 V91 A92 W150 F151 E155 | K56-V58 HydrophobicContact CB-CG1 4.21Å; K56-V58 HydrophobicContact CD-CG1 3.74Å; K56-V58 HydrophobicContact CG-CG1 3.72Å; K56-V91 WeakPolarHBondContact O-CA 3.33Å; K56-A92 HydrophobicContact CG-CB 4.27Å; K56-A92 PolarHBondContact N-O 3.03Å; K56-A92 PolarHBondContact O-N 3.32Å; K56-W150 WeakPolarHBondContact CE-O 3.4Å; K56-W150 PolarHBondContact NZ-O 3.12Å; K56-F151 HydrophobicContact CD-CD1 4.32Å; K56-F151 HydrophobicContact CD-CE1 3.86Å; K56-F151 HydrophobicContact CD-CZ 4.49Å; K56-F151 HydrophobicContact CG-CE1 3.7Å; K56-F151 HydrophobicContact CG-CZ 4Å; K56-E155 IonicContact NZ-OE1 2.76Å; K56-E155 PolarHBondContact NZ-OE1 3.22Å; K56-E155 IonicContact NZ-OE2 3.31Å; K56-E155 PolarHBondContact NZ-OE2 3.35Å; K56-E155 VanDerWaalsContact NZ-OE2 3.09Å |
| 57 | L | 98.8 | Very high | 98.1 | Very high | 115 Ų | 115 | 66.7 Ų | 66.7 | 60% | 0.602 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 122 | 167.6 | -175.8 | 73.3 | 0 | 0 | 0 | 108.4 | V33 P89 V91 | V33-L57 HydrophobicContact CG1-CD1 4.31Å; L57-P89 HydrophobicContact CD1-CB 3.88Å; L57-P89 HydrophobicContact CG-CB 4.41Å; L57-V91 HydrophobicContact CD1-CG2 3.53Å |
| 58 | V | 98.4 | Very high | 98.1 | Very high | 35 Ų | 35 | 57.8 Ų | 57.8 | 21% | 0.212 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 150.6 | -175.3 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | K56 P89 V90 W150 | K56-V58 HydrophobicContact CB-CG1 4.21Å; K56-V58 HydrophobicContact CD-CG1 3.74Å; K56-V58 HydrophobicContact CG-CG1 3.72Å; V58-P89 WeakPolarHBondContact O-CA 3.47Å; V58-V90 HydrophobicContact CG2-CB 4.47Å; V58-V90 PolarHBondContact N-O 2.84Å; V58-V90 PolarHBondContact O-N 3.24Å; V58-W150 HydrophobicContact CG2-CE3 4.3Å; V58-W150 HydrophobicContact CG2-CZ3 3.75Å |
| 59 | Q | 98.5 | Very high | 98.1 | Very high | 120 Ų | 120 | 53 Ų | 53 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | trans | -93.4 | 101.1 | 161 | -175.6 | 60.8 | 59.1 | 0 | 0 | 107.4 | A86 G88 | Q59-A86 PolarHBondContact NE2-O 3.23Å; Q59-G88 PolarHBondContact NE2-O 2.96Å | ||
| 60 | A | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | trans | -71.8 | 135.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111 | L64 L65 W150 | A60-L64 HydrophobicContact CB-CD2 4.22Å; A60-L65 HydrophobicContact CB-CD1 4.01Å; A60-L65 HydrophobicContact CB-CD2 3.97Å; A60-L65 HydrophobicContact CB-CG 3.87Å; A60-W150 HydrophobicContact CB-CH2 3.73Å; A60-W150 HydrophobicContact CB-CZ3 4.08Å | ||
| 61 | S | 97.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | trans | -72.6 | 153.2 | 173.7 | 67.4 | 0 | 0 | 0 | 0 | 110.8 | E63 L64 L65 | S61-E63 PolarHBondContact O-N 3.4Å; S61-L64 PolarHBondContact O-N 3.3Å; S61-L64 WeakPolarHBondContact OG-CB 3.42Å; S61-L64 PolarHBondContact OG-N 3.46Å; S61-L64 VanDerWaalsContact OG-N 3.14Å; S61-L65 VanDerWaalsContact O-CG 3.29Å; S61-L65 WeakPolarHBondContact O-CG 3.32Å; S61-L65 PolarHBondContact O-N 3.21Å | ||
| 62 | E | 97.6 | Very high | 98 | Very high | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -33.5 | 172.3 | -79.2 | -158.7 | -160.3 | 0 | 0 | 112.1 | L65 R66 V82 A86 | E62-L65 PolarHBondContact O-N 3.1Å; E62-R66 WeakPolarHBondContact O-CB 3.16Å; E62-R66 WeakPolarHBondContact O-CG 3.5Å; E62-R66 PolarHBondContact O-N 2.93Å; E62-R66 IonicContact OE2-CZ 2.82Å; E62-R66 IonicContact OE2-NE 3.14Å; E62-R66 IonicContact OE2-NH2 3.83Å; E62-R66 PolarHBondContact OE2-NH2 2.92Å; E62-V82 HydrophobicContact CB-CG1 4.24Å; E62-V82 HydrophobicContact CG-CG1 4.07Å; E62-A86 HydrophobicContact CG-CB 4.03Å |
| 63 | E | 98.1 | Very high | 97.9 | Very high | 155 Ų | 155 | 66.3 Ų | 66.3 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.5 | -53.5 | 176.5 | -177.7 | 177.1 | -167.2 | 0 | 0 | 111.5 | S61 L65 R66 E67 | S61-E63 PolarHBondContact O-N 3.4Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 3.08Å; E63-R66 WeakPolarHBondContact O-CB 3.26Å; E63-R66 PolarHBondContact O-N 3.47Å; E63-R66 VanDerWaalsContact O-N 3.12Å; E63-E67 PolarHBondContact O-N 3.48Å |
| 64 | L | 98.4 | Very high | 97.9 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 176.2 | 179.1 | 67 | 0 | 0 | 0 | 111.3 | A60 S61 E67 H68 L149 W150 | A60-L64 HydrophobicContact CB-CD2 4.22Å; S61-L64 PolarHBondContact O-N 3.3Å; S61-L64 WeakPolarHBondContact OG-CB 3.42Å; S61-L64 PolarHBondContact OG-N 3.46Å; S61-L64 VanDerWaalsContact OG-N 3.14Å; L64-E67 PolarHBondContact O-N 3.05Å; L64-H68 WeakPolarHBondContact O-CB 3.41Å; L64-H68 PolarHBondContact O-N 2.95Å; L64-L149 HydrophobicContact CD1-CD1 3.63Å; L64-L149 HydrophobicContact CD1-CD2 4.17Å; L64-L149 HydrophobicContact CD1-CG 3.56Å; L64-W150 HydrophobicContact CD2-CD2 4.28Å; L64-W150 HydrophobicContact CD2-CE3 4.13Å; L64-W150 HydrophobicContact CD2-CH2 4.24Å; L64-W150 HydrophobicContact CD2-CZ2 4.36Å; L64-W150 HydrophobicContact CD2-CZ3 4.12Å |
| 65 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.3 | -33.7 | -179.9 | -69.4 | 169.2 | 0 | 0 | 0 | 112.7 | A60 S61 E62 E63 Y69 V82 M85 A86 W150 | A60-L65 HydrophobicContact CB-CD1 4.01Å; A60-L65 HydrophobicContact CB-CD2 3.97Å; A60-L65 HydrophobicContact CB-CG 3.87Å; S61-L65 VanDerWaalsContact O-CG 3.29Å; S61-L65 WeakPolarHBondContact O-CG 3.32Å; S61-L65 PolarHBondContact O-N 3.21Å; E62-L65 PolarHBondContact O-N 3.1Å; E63-L65 VanDerWaalsContact C-N 3.27Å; E63-L65 PolarHBondContact O-N 3.08Å; L65-Y69 HydrophobicContact CD2-CE2 4.45Å; L65-Y69 WeakPolarHBondContact O-CD2 3.41Å; L65-Y69 PolarHBondContact O-N 2.69Å; L65-V82 HydrophobicContact CB-CG1 4.14Å; L65-M85 HydrophobicContact CD1-CB 3.77Å; L65-M85 HydrophobicContact CD2-CB 3.62Å; L65-M85 HydrophobicContact CD2-CE 4.47Å; L65-M85 HydrophobicContact CD2-CG 4.5Å; L65-M85 HydrophobicContact CG-CB 4.29Å; L65-A86 HydrophobicContact CD1-CB 3.67Å; L65-A86 VanDerWaalsContact CD1-N 3.33Å; L65-W150 HydrophobicContact CD2-CH2 4.13Å; L65-W150 HydrophobicContact CD2-CZ2 4.07Å |
| 66 | R | 98.4 | Very high | 97.8 | Very high | 102 Ų | 102 | 82.9 Ų | 82.9 | 39% | 0.385 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.2 | -38.7 | 175.8 | -78.3 | 172.2 | -170.6 | -73.7 | -5.5 | 111.7 | E62 E63 Y69 A70 Y78 V82 | E62-R66 WeakPolarHBondContact O-CB 3.16Å; E62-R66 WeakPolarHBondContact O-CG 3.5Å; E62-R66 PolarHBondContact O-N 2.93Å; E62-R66 IonicContact OE2-CZ 2.82Å; E62-R66 IonicContact OE2-NE 3.14Å; E62-R66 IonicContact OE2-NH2 3.83Å; E62-R66 PolarHBondContact OE2-NH2 2.92Å; E63-R66 WeakPolarHBondContact O-CB 3.26Å; E63-R66 PolarHBondContact O-N 3.47Å; E63-R66 VanDerWaalsContact O-N 3.12Å; R66-Y69 CarbonylContact O-C 3.54Å; R66-A70 WeakPolarHBondContact O-CA 3.18Å; R66-A70 PolarHBondContact O-N 2.8Å; R66-A70 VanDerWaalsContact O-N 3.12Å; R66-Y78 WeakPolarHBondContact CA-OH 3.44Å; R66-Y78 VanDerWaalsContact CB-OH 3.28Å; R66-Y78 WeakPolarHBondContact CB-OH 3.22Å; R66-Y78 WeakPolarHBondContact CG-OH 3.26Å; R66-Y78 PolarHBondContact O-OH 2.88Å; R66-V82 HydrophobicContact CG-CG1 4.04Å; R66-V82 HydrophobicContact CG-CG2 4.11Å |
| 67 | E | 98.1 | Very high | 97.6 | Very high | 122 Ų | 122 | 84.7 Ų | 84.7 | 57% | 0.57 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -67.7 | -47.2 | 173.6 | -172.2 | 174.6 | 173.3 | 0 | 0 | 111.1 | E63 L64 Y69 A70 L149 | E63-E67 PolarHBondContact O-N 3.48Å; L64-E67 PolarHBondContact O-N 3.05Å; E67-Y69 VanDerWaalsContact C-N 3.3Å; E67-Y69 PolarHBondContact O-N 3.22Å; E67-A70 WeakPolarHBondContact O-CB 3.41Å; E67-A70 PolarHBondContact O-N 2.86Å; E67-A70 VanDerWaalsContact O-N 3.07Å; E67-L149 HydrophobicContact CB-CD1 4.36Å; E67-L149 HydrophobicContact CB-CD2 4.16Å; E67-L149 HydrophobicContact CG-CD1 3.93Å; E67-L149 HydrophobicContact CG-CD2 4.01Å; E67-L149 WeakPolarHBondContact OE1-CD1 3.42Å; E67-L149 WeakPolarHBondContact OE2-CD1 3.37Å |
| 68 | H | 98.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 80.1 Ų | 80.1 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 178 | 178.3 | 82.1 | 0 | 0 | 0 | 112.3 | F25 L64 H135 E146 L149 W150 | F25-H68 AromaticContact CD1-CE1 3.95Å; F25-H68 AromaticContact CE1-CE1 3.59Å; L64-H68 WeakPolarHBondContact O-CB 3.41Å; L64-H68 PolarHBondContact O-N 2.95Å; H68-H135 AromaticContact CE1-CD2 3.88Å; H68-H135 AromaticContact CE1-CE1 3.92Å; H68-H135 AromaticContact CE1-NE2 3.46Å; H68-H135 PolarHBondContact CE1-NE2 2.9Å; H68-H135 AromaticContact NE2-CD2 3.78Å; H68-H135 AromaticContact NE2-CE1 3.45Å; H68-H135 PolarHBondContact NE2-CE1 3.49Å; H68-H135 AromaticContact NE2-CG 4Å; H68-H135 AromaticContact NE2-ND1 3.85Å; H68-H135 AromaticContact NE2-NE2 3.43Å; H68-H135 PolarHBondContact NE2-NE2 2.91Å; H68-E146 IonicContact CE1-OE1 3.79Å; H68-E146 IonicContact CE1-OE2 3.44Å; H68-L149 VanDerWaalsContact CA-CD2 3.48Å; H68-L149 HydrophobicContact CB-CD2 3.66Å; H68-W150 AromaticContact CE1-NE1 3.8Å; H68-W150 AromaticContact CG-NE1 3.63Å; H68-W150 AromaticContact ND1-CD1 3.9Å; H68-W150 AromaticContact ND1-NE1 3.07Å; H68-W150 PolarHBondContact ND1-NE1 2.87Å |
| 69 | Y | 97.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 80.1 Ų | 80.1 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 22.4 | 177.9 | -65.5 | -60.2 | 0 | 0 | 0 | 113.9 | L65 R66 E67 E71 L72 Y78 L81 M85 | L65-Y69 HydrophobicContact CD2-CE2 4.45Å; L65-Y69 WeakPolarHBondContact O-CD2 3.41Å; L65-Y69 PolarHBondContact O-N 2.69Å; R66-Y69 CarbonylContact O-C 3.54Å; E67-Y69 VanDerWaalsContact C-N 3.3Å; E67-Y69 PolarHBondContact O-N 3.22Å; Y69-E71 PolarHBondContact O-N 3.25Å; Y69-E71 VanDerWaalsContact O-N 3.14Å; Y69-L72 HydrophobicContact CD1-CD1 3.83Å; Y69-L72 WeakPolarHBondContact O-CB 3.35Å; Y69-L72 PolarHBondContact O-N 3.43Å; Y69-Y78 VanDerWaalsContact O-CE2 3.22Å; Y69-Y78 WeakPolarHBondContact O-CE2 3.36Å; Y69-L81 HydrophobicContact CD1-CD2 3.67Å; Y69-L81 HydrophobicContact CD2-CD2 3.92Å; Y69-L81 HydrophobicContact CD2-CG 3.98Å; Y69-L81 HydrophobicContact CE1-CD2 3.85Å; Y69-L81 HydrophobicContact CE1-CG 4.48Å; Y69-L81 HydrophobicContact CE2-CD1 4.21Å; Y69-L81 HydrophobicContact CE2-CD2 4.08Å; Y69-L81 HydrophobicContact CE2-CG 3.92Å; Y69-L81 HydrophobicContact CG-CD2 3.72Å; Y69-L81 HydrophobicContact CG-CG 4.3Å; Y69-M85 HydrophobicContact CE2-CB 4.48Å; Y69-M85 HydrophobicContact CE2-CG 3.86Å |
| 70 | A | 97.3 | Very high | 97.5 | Very high | 39 Ų | 39 | 83.3 Ų | 83.3 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -55.5 | -36.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R66 E67 L72 R73 | R66-A70 WeakPolarHBondContact O-CA 3.18Å; R66-A70 PolarHBondContact O-N 2.8Å; R66-A70 VanDerWaalsContact O-N 3.12Å; E67-A70 WeakPolarHBondContact O-CB 3.41Å; E67-A70 PolarHBondContact O-N 2.86Å; E67-A70 VanDerWaalsContact O-N 3.07Å; A70-L72 PolarHBondContact O-N 3.41Å; A70-R73 VanDerWaalsContact O-CB 3.25Å; A70-R73 WeakPolarHBondContact O-CB 3.32Å; A70-R73 PolarHBondContact O-N 3.44Å; A70-R73 VanDerWaalsContact O-N 3.16Å |
| 71 | E | 96 | Very high | 97.4 | Very high | 132 Ų | 132 | 84.2 Ų | 84.2 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -66.3 | -18.1 | 177.6 | -65.6 | -179.8 | 168 | 0 | 0 | 113.6 | Y69 R145 | Y69-E71 PolarHBondContact O-N 3.25Å; Y69-E71 VanDerWaalsContact O-N 3.14Å; E71-R145 IonicContact OE1-CZ 3.64Å; E71-R145 IonicContact OE1-NH1 2.94Å; E71-R145 PolarHBondContact OE1-NH1 2.91Å; E71-R145 IonicContact OE1-NH2 2.94Å; E71-R145 PolarHBondContact OE1-NH2 3.25Å; E71-R145 IonicContact OE2-NH2 3.76Å; E71-R145 PolarHBondContact OE2-NH2 3.19Å |
| 72 | L | 96 | Very high | 97.5 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 28% | 0.277 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -96.3 | 4.9 | 178.7 | -55 | -179.9 | 0 | 0 | 0 | 112.6 | Y69 A70 E74 R75 F77 Y78 L81 | Y69-L72 HydrophobicContact CD1-CD1 3.83Å; Y69-L72 WeakPolarHBondContact O-CB 3.35Å; Y69-L72 PolarHBondContact O-N 3.43Å; A70-L72 PolarHBondContact O-N 3.41Å; L72-E74 VanDerWaalsContact C-N 3.25Å; L72-E74 PolarHBondContact O-N 3.18Å; L72-E74 VanDerWaalsContact O-N 3.15Å; L72-R75 HydrophobicContact CB-CG 4.11Å; L72-R75 HydrophobicContact CD2-CG 4.17Å; L72-R75 WeakPolarHBondContact O-CB 3.35Å; L72-R75 WeakPolarHBondContact O-CG 3.46Å; L72-R75 PolarHBondContact O-N 3.26Å; L72-F77 HydrophobicContact CD1-CE2 4.26Å; L72-Y78 HydrophobicContact CB-CD2 4.19Å; L72-Y78 WeakPolarHBondContact O-CB 3.01Å; L72-L81 HydrophobicContact CD1-CD2 3.87Å |
| 73 | R | 96.5 | Very high | 97.5 | Very high | 151 Ų | 151 | 84.2 Ų | 84.2 | 57% | 0.57 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -41.1 | -172.9 | -175.9 | -178.8 | -64.7 | 174.6 | 0.5 | 113.8 | A70 R75 Y78 | A70-R73 VanDerWaalsContact O-CB 3.25Å; A70-R73 WeakPolarHBondContact O-CB 3.32Å; A70-R73 PolarHBondContact O-N 3.44Å; A70-R73 VanDerWaalsContact O-N 3.16Å; R73-R75 VanDerWaalsContact C-N 3.26Å; R73-R75 PolarHBondContact O-N 3.14Å; R73-Y78 HydrophobicContact CB-CE1 4.47Å; R73-Y78 HydrophobicContact CG-CE1 4.23Å |
| 74 | E | 97.7 | Very high | 97.5 | Very high | 172 Ų | 172 | 78.4 Ų | 78.4 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -1.1 | -179 | -56 | -50.5 | 127.6 | 0 | 0 | 113.5 | L72 | L72-E74 VanDerWaalsContact C-N 3.25Å; L72-E74 PolarHBondContact O-N 3.18Å; L72-E74 VanDerWaalsContact O-N 3.15Å |
| 75 | R | 97.2 | Very high | 97.5 | Very high | 147 Ų | 147 | 76.5 Ų | 76.5 | 56% | 0.555 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -81.4 | 136.8 | -180 | -56.7 | -63.4 | -120.1 | -170 | -0.3 | 110.2 | L72 R73 F77 Y78 | L72-R75 HydrophobicContact CB-CG 4.11Å; L72-R75 HydrophobicContact CD2-CG 4.17Å; L72-R75 WeakPolarHBondContact O-CB 3.35Å; L72-R75 WeakPolarHBondContact O-CG 3.46Å; L72-R75 PolarHBondContact O-N 3.26Å; R73-R75 VanDerWaalsContact C-N 3.26Å; R73-R75 PolarHBondContact O-N 3.14Å; R75-F77 HydrophobicContact CB-CD1 4.1Å; R75-F77 HydrophobicContact CB-CD2 4.39Å; R75-F77 HydrophobicContact CB-CE1 3.73Å; R75-F77 HydrophobicContact CB-CE2 4.03Å; R75-F77 HydrophobicContact CB-CG 4.42Å; R75-F77 HydrophobicContact CB-CZ 3.69Å; R75-F77 HydrophobicContact CG-CE1 4.21Å; R75-F77 HydrophobicContact CG-CE2 4.47Å; R75-F77 HydrophobicContact CG-CZ 3.9Å; R75-F77 PolarHBondContact O-N 3.07Å; R75-Y78 VanDerWaalsContact O-CB 3.27Å; R75-Y78 WeakPolarHBondContact O-CB 3.5Å; R75-Y78 PolarHBondContact O-N 3.02Å |
| 76 | P | 97 | Very high | 97.5 | Very high | 125 Ų | 125 | 77.5 Ų | 77.5 | 81% | 0.812 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.3 | -179.3 | -27.2 | 34.1 | 0 | 0 | 0 | 115.2 | ||
| 77 | F | 95.5 | Very high | 97.5 | Very high | 88 Ų | 88 | 76.2 Ų | 76.2 | 39% | 0.386 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.9 | 179.9 | 58.2 | -101 | 0 | 0 | 0 | 114.3 | L72 R75 G79 R80 L81 | L72-F77 HydrophobicContact CD1-CE2 4.26Å; R75-F77 HydrophobicContact CB-CD1 4.1Å; R75-F77 HydrophobicContact CB-CD2 4.39Å; R75-F77 HydrophobicContact CB-CE1 3.73Å; R75-F77 HydrophobicContact CB-CE2 4.03Å; R75-F77 HydrophobicContact CB-CG 4.42Å; R75-F77 HydrophobicContact CB-CZ 3.69Å; R75-F77 HydrophobicContact CG-CE1 4.21Å; R75-F77 HydrophobicContact CG-CE2 4.47Å; R75-F77 HydrophobicContact CG-CZ 3.9Å; R75-F77 PolarHBondContact O-N 3.07Å; F77-G79 PolarHBondContact O-N 3.08Å; F77-R80 PolarHBondContact O-N 3.13Å; F77-R80 VanDerWaalsContact O-N 3.16Å; F77-L81 WeakPolarHBondContact O-CB 3.43Å; F77-L81 PolarHBondContact O-N 3.12Å |
| 78 | Y | 97.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 8% | 0.075 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.5 | -51.8 | -174.9 | 176.2 | -112.8 | 0 | 0 | 0 | 113.3 | R66 Y69 L72 R73 R75 R80 L81 V82 | R66-Y78 WeakPolarHBondContact CA-OH 3.44Å; R66-Y78 VanDerWaalsContact CB-OH 3.28Å; R66-Y78 WeakPolarHBondContact CB-OH 3.22Å; R66-Y78 WeakPolarHBondContact CG-OH 3.26Å; R66-Y78 PolarHBondContact O-OH 2.88Å; Y69-Y78 VanDerWaalsContact O-CE2 3.22Å; Y69-Y78 WeakPolarHBondContact O-CE2 3.36Å; L72-Y78 HydrophobicContact CB-CD2 4.19Å; L72-Y78 WeakPolarHBondContact O-CB 3.01Å; R73-Y78 HydrophobicContact CB-CE1 4.47Å; R73-Y78 HydrophobicContact CG-CE1 4.23Å; R75-Y78 VanDerWaalsContact O-CB 3.27Å; R75-Y78 WeakPolarHBondContact O-CB 3.5Å; R75-Y78 PolarHBondContact O-N 3.02Å; Y78-R80 VanDerWaalsContact C-N 3.28Å; Y78-R80 PolarHBondContact O-N 2.65Å; Y78-L81 WeakPolarHBondContact O-CB 3.15Å; Y78-L81 PolarHBondContact O-N 3.04Å; Y78-L81 VanDerWaalsContact O-N 3.11Å; Y78-V82 HydrophobicContact CD2-CG2 4.25Å; Y78-V82 HydrophobicContact CE1-CG2 4.4Å; Y78-V82 HydrophobicContact CE2-CG2 3.88Å; Y78-V82 PolarHBondContact O-N 3.31Å |
| 79 | G | 97.5 | Very high | 97.5 | Very high | 36 Ų | 36 | 72 Ų | 72 | 37% | 0.371 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.4 | -36.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F77 K83 | F77-G79 PolarHBondContact O-N 3.08Å; G79-K83 WeakPolarHBondContact O-CB 3.24Å; G79-K83 WeakPolarHBondContact O-CG 3.38Å; G79-K83 PolarHBondContact O-N 3.42Å; G79-K83 VanDerWaalsContact O-N 3.14Å |
| 80 | R | 97.4 | Very high | 97.5 | Very high | 186 Ų | 186 | 71.3 Ų | 71.3 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.8 | -38.2 | 175.3 | -66.3 | -163.6 | -60.1 | -112 | 1.7 | 111.9 | F77 Y78 Y84 | F77-R80 PolarHBondContact O-N 3.13Å; F77-R80 VanDerWaalsContact O-N 3.16Å; Y78-R80 VanDerWaalsContact C-N 3.28Å; Y78-R80 PolarHBondContact O-N 2.65Å; R80-Y84 WeakPolarHBondContact O-CB 3.49Å; R80-Y84 PolarHBondContact O-N 3.4Å |
| 81 | L | 97.5 | Very high | 97.6 | Very high | 27 Ų | 27 | 69.8 Ų | 69.8 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 177 | 175 | 61.4 | 0 | 0 | 0 | 111.5 | Y69 L72 F77 Y78 Y84 M85 | Y69-L81 HydrophobicContact CD1-CD2 3.67Å; Y69-L81 HydrophobicContact CD2-CD2 3.92Å; Y69-L81 HydrophobicContact CD2-CG 3.98Å; Y69-L81 HydrophobicContact CE1-CD2 3.85Å; Y69-L81 HydrophobicContact CE1-CG 4.48Å; Y69-L81 HydrophobicContact CE2-CD1 4.21Å; Y69-L81 HydrophobicContact CE2-CD2 4.08Å; Y69-L81 HydrophobicContact CE2-CG 3.92Å; Y69-L81 HydrophobicContact CG-CD2 3.72Å; Y69-L81 HydrophobicContact CG-CG 4.3Å; L72-L81 HydrophobicContact CD1-CD2 3.87Å; F77-L81 WeakPolarHBondContact O-CB 3.43Å; F77-L81 PolarHBondContact O-N 3.12Å; Y78-L81 WeakPolarHBondContact O-CB 3.15Å; Y78-L81 PolarHBondContact O-N 3.04Å; Y78-L81 VanDerWaalsContact O-N 3.11Å; L81-Y84 HydrophobicContact CD1-CD1 4.47Å; L81-Y84 PolarHBondContact O-N 3.45Å; L81-M85 HydrophobicContact CD1-CG 4.1Å; L81-M85 WeakPolarHBondContact O-CB 3.47Å; L81-M85 WeakPolarHBondContact O-CG 3.2Å; L81-M85 PolarHBondContact O-N 3.46Å |
| 82 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | E62 L65 R66 Y78 Y84 M85 A86 | E62-V82 HydrophobicContact CB-CG1 4.24Å; E62-V82 HydrophobicContact CG-CG1 4.07Å; L65-V82 HydrophobicContact CB-CG1 4.14Å; R66-V82 HydrophobicContact CG-CG1 4.04Å; R66-V82 HydrophobicContact CG-CG2 4.11Å; Y78-V82 HydrophobicContact CD2-CG2 4.25Å; Y78-V82 HydrophobicContact CE1-CG2 4.4Å; Y78-V82 HydrophobicContact CE2-CG2 3.88Å; Y78-V82 PolarHBondContact O-N 3.31Å; V82-Y84 VanDerWaalsContact C-N 3.29Å; V82-Y84 PolarHBondContact O-N 3.43Å; V82-M85 PolarHBondContact O-N 2.9Å; V82-A86 WeakPolarHBondContact O-CB 3.36Å; V82-A86 PolarHBondContact O-N 2.9Å |
| 83 | K | 98 | Very high | 97.9 | Very high | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.8 | -40.6 | 177.4 | -76.5 | -174.9 | 176.5 | -172.8 | 0 | 112.6 | G79 A86 S87 | G79-K83 WeakPolarHBondContact O-CB 3.24Å; G79-K83 WeakPolarHBondContact O-CG 3.38Å; G79-K83 PolarHBondContact O-N 3.42Å; G79-K83 VanDerWaalsContact O-N 3.14Å; K83-A86 PolarHBondContact O-N 2.62Å; K83-S87 WeakPolarHBondContact O-CB 3.34Å; K83-S87 PolarHBondContact O-N 3.41Å; K83-S87 VanDerWaalsContact O-N 3.08Å |
| 84 | Y | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 176.8 | 164.9 | -126.3 | 0 | 0 | 0 | 111.5 | K29 D31 R80 L81 V82 A86 S87 G130 K131 | K29-Y84 HydrophobicContact CB-CE1 4.4Å; K29-Y84 HydrophobicContact CD-CE1 3.82Å; D31-Y84 WeakPolarHBondContact CB-OH 3.21Å; D31-Y84 PolarHBondContact OD1-OH 2.99Å; D31-Y84 PolarHBondContact OD2-OH 2.87Å; R80-Y84 WeakPolarHBondContact O-CB 3.49Å; R80-Y84 PolarHBondContact O-N 3.4Å; L81-Y84 HydrophobicContact CD1-CD1 4.47Å; L81-Y84 PolarHBondContact O-N 3.45Å; V82-Y84 VanDerWaalsContact C-N 3.29Å; V82-Y84 PolarHBondContact O-N 3.43Å; Y84-A86 VanDerWaalsContact C-N 3.25Å; Y84-A86 PolarHBondContact O-N 3.32Å; Y84-S87 VanDerWaalsContact O-CB 3.3Å; Y84-S87 WeakPolarHBondContact O-CB 3.26Å; Y84-S87 PolarHBondContact O-N 2.85Å; Y84-S87 PolarHBondContact O-OG 3.05Å; Y84-G130 WeakPolarHBondContact CD1-O 3.35Å; Y84-G130 WeakPolarHBondContact CE1-O 3.49Å; Y84-K131 HydrophobicContact CE2-CG 4.06Å |
| 85 | M | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -28.5 | 180 | -70.2 | -67.2 | -63.3 | 0 | 0 | 112.7 | K29 P30 L65 Y69 L81 V82 S87 V90 | K29-M85 HydrophobicContact CB-SD 3.89Å; K29-M85 HydrophobicContact CD-SD 3.65Å; K29-M85 HydrophobicContact CG-CE 4.05Å; K29-M85 HydrophobicContact CG-SD 3.54Å; K29-M85 VanDerWaalsContact CG-SD 3.54Å; P30-M85 WeakPolarHBondContact CG-O 3.46Å; L65-M85 HydrophobicContact CD1-CB 3.77Å; L65-M85 HydrophobicContact CD2-CB 3.62Å; L65-M85 HydrophobicContact CD2-CE 4.47Å; L65-M85 HydrophobicContact CD2-CG 4.5Å; L65-M85 HydrophobicContact CG-CB 4.29Å; Y69-M85 HydrophobicContact CE2-CB 4.48Å; Y69-M85 HydrophobicContact CE2-CG 3.86Å; L81-M85 HydrophobicContact CD1-CG 4.1Å; L81-M85 WeakPolarHBondContact O-CB 3.47Å; L81-M85 WeakPolarHBondContact O-CG 3.2Å; L81-M85 PolarHBondContact O-N 3.46Å; V82-M85 PolarHBondContact O-N 2.9Å; M85-S87 VanDerWaalsContact C-N 3.33Å; M85-V90 HydrophobicContact CE-CG1 4.46Å; M85-V90 HydrophobicContact CE-CG2 4.08Å |
| 86 | A | 98.1 | Very high | 98.1 | Very high | 21 Ų | 21 | 39.4 Ų | 39.4 | 17% | 0.174 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.2 | -12.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q59 E62 L65 V82 K83 Y84 G88 | Q59-A86 PolarHBondContact NE2-O 3.23Å; E62-A86 HydrophobicContact CG-CB 4.03Å; L65-A86 HydrophobicContact CD1-CB 3.67Å; L65-A86 VanDerWaalsContact CD1-N 3.33Å; V82-A86 WeakPolarHBondContact O-CB 3.36Å; V82-A86 PolarHBondContact O-N 2.9Å; K83-A86 PolarHBondContact O-N 2.62Å; Y84-A86 VanDerWaalsContact C-N 3.25Å; Y84-A86 PolarHBondContact O-N 3.32Å; A86-G88 PolarHBondContact O-N 3.4Å; A86-G88 VanDerWaalsContact O-N 3.14Å |
| 87 | S | 98.1 | Very high | 98.1 | Very high | 75 Ų | 75 | 33.5 Ų | 33.5 | 52% | 0.524 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -6.8 | -171 | 70.3 | 0 | 0 | 0 | 0 | 115.2 | K83 Y84 M85 | K83-S87 WeakPolarHBondContact O-CB 3.34Å; K83-S87 PolarHBondContact O-N 3.41Å; K83-S87 VanDerWaalsContact O-N 3.08Å; Y84-S87 VanDerWaalsContact O-CB 3.3Å; Y84-S87 WeakPolarHBondContact O-CB 3.26Å; Y84-S87 PolarHBondContact O-N 2.85Å; Y84-S87 PolarHBondContact O-OG 3.05Å; M85-S87 VanDerWaalsContact C-N 3.33Å |
| 88 | G | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -177 | -171.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q59 A86 | Q59-G88 PolarHBondContact NE2-O 2.96Å; A86-G88 PolarHBondContact O-N 3.4Å; A86-G88 VanDerWaalsContact O-N 3.14Å |
| 89 | P | 98.8 | Very high | 98.1 | Very high | 44 Ų | 44 | 36 Ų | 36 | 29% | 0.286 | 19% | 0.189 | S | C | . | . | trans | -67.7 | 145.6 | -176.5 | 27.7 | -35.5 | 0 | 0 | 0 | 112.1 | P30 V33 L57 V58 | P30-P89 WeakPolarHBondContact CA-O 3.37Å; V33-P89 HydrophobicContact CB-CG 4.32Å; V33-P89 HydrophobicContact CG1-CB 4.31Å; V33-P89 HydrophobicContact CG1-CG 3.74Å; V33-P89 WeakPolarHBondContact CG2-O 3.17Å; L57-P89 HydrophobicContact CD1-CB 3.88Å; L57-P89 HydrophobicContact CG-CB 4.41Å; V58-P89 WeakPolarHBondContact O-CA 3.47Å | ||
| 90 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.2 | 176.1 | 173 | 0 | 0 | 0 | 0 | 108.2 | A27 V28 P30 V58 M85 W150 | A27-V90 HydrophobicContact CB-CG1 3.87Å; V28-V90 WeakPolarHBondContact O-CA 3.34Å; V28-V90 WeakPolarHBondContact O-CG1 3.2Å; P30-V90 HydrophobicContact CG-CG2 4.03Å; V58-V90 HydrophobicContact CG2-CB 4.47Å; V58-V90 PolarHBondContact N-O 2.84Å; V58-V90 PolarHBondContact O-N 3.24Å; M85-V90 HydrophobicContact CE-CG1 4.46Å; M85-V90 HydrophobicContact CE-CG2 4.08Å; V90-W150 HydrophobicContact CG1-CH2 4.17Å; V90-W150 HydrophobicContact CG1-CZ3 4.2Å |
| 91 | V | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 104.3 | 168 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | A27 V28 V33 V38 L55 K56 L57 M93 | A27-V91 CarbonylContact C-O 3.58Å; A27-V91 VanDerWaalsContact CA-O 3.26Å; A27-V91 WeakPolarHBondContact CA-O 3.45Å; V28-V91 HydrophobicContact CB-CB 4.02Å; V28-V91 HydrophobicContact CG2-CB 4.14Å; V28-V91 PolarHBondContact N-O 3.12Å; V28-V91 PolarHBondContact O-N 3.5Å; V28-V91 VanDerWaalsContact O-N 3.11Å; V33-V91 HydrophobicContact CG2-CG2 3.97Å; V38-V91 HydrophobicContact CG1-CB 4.47Å; V38-V91 HydrophobicContact CG1-CG1 4.29Å; V38-V91 HydrophobicContact CG1-CG2 4Å; V38-V91 HydrophobicContact CG2-CG2 3.82Å; L55-V91 HydrophobicContact CD1-CG1 4.1Å; L55-V91 HydrophobicContact CD2-CG1 4.19Å; L55-V91 HydrophobicContact CG-CG1 3.92Å; K56-V91 WeakPolarHBondContact O-CA 3.33Å; L57-V91 HydrophobicContact CD1-CG2 3.53Å; V91-M93 HydrophobicContact CG1-CG 3.91Å; V91-M93 HydrophobicContact CG1-SD 4.27Å |
| 92 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 137.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | F25 L55 K56 W150 F151 | F25-A92 HydrophobicContact CE2-CB 3.96Å; F25-A92 HydrophobicContact CZ-CB 4.23Å; L55-A92 CarbonylContact C-O 3.59Å; L55-A92 WeakPolarHBondContact CA-O 3.33Å; K56-A92 HydrophobicContact CG-CB 4.27Å; K56-A92 PolarHBondContact N-O 3.03Å; K56-A92 PolarHBondContact O-N 3.32Å; A92-W150 HydrophobicContact CB-CD2 4.4Å; A92-W150 HydrophobicContact CB-CE3 3.64Å; A92-W150 HydrophobicContact CB-CZ3 4.11Å; A92-F151 HydrophobicContact CB-CE2 3.96Å; A92-F151 HydrophobicContact CB-CZ 3.82Å |
| 93 | M | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149.8 | -176 | -55.8 | 176.6 | -68.1 | 0 | 0 | 111 | L26 V28 I41 V42 L52 A54 L55 V91 W95 | L26-M93 HydrophobicContact CB-CE 3.94Å; L26-M93 PolarHBondContact N-O 3.07Å; L26-M93 PolarHBondContact O-N 3.36Å; L26-M93 VanDerWaalsContact O-O 3.1Å; V28-M93 HydrophobicContact CG2-CE 3.74Å; I41-M93 HydrophobicContact CG2-CE 4.23Å; V42-M93 HydrophobicContact CG2-SD 3.77Å; L52-M93 HydrophobicContact CD1-CB 4.26Å; A54-M93 CarbonylContact O-C 3.57Å; A54-M93 VanDerWaalsContact O-CA 3.3Å; A54-M93 WeakPolarHBondContact O-CA 3.44Å; L55-M93 HydrophobicContact CD1-CG 3.94Å; L55-M93 HydrophobicContact CD1-SD 4.1Å; L55-M93 HydrophobicContact CG-CG 4.1Å; V91-M93 HydrophobicContact CG1-CG 3.91Å; V91-M93 HydrophobicContact CG1-SD 4.27Å; M93-W95 HydrophobicContact SD-CZ2 4.26Å |
| 94 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.3 | 168.5 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | R23 T24 V53 A54 I147 F151 L156 | R23-V94 HydrophobicContact CB-CG1 4.12Å; R23-V94 HydrophobicContact CG-CG1 4.4Å; T24-V94 WeakPolarHBondContact O-CA 3.16Å; V53-V94 HydrophobicContact CG2-CB 3.77Å; V53-V94 HydrophobicContact CG2-CG1 3.5Å; V53-V94 WeakPolarHBondContact CG2-O 3.27Å; V53-V94 PolarHBondContact N-O 3.3Å; A54-V94 HydrophobicContact CB-CB 3.95Å; A54-V94 HydrophobicContact CB-CG2 3.91Å; A54-V94 PolarHBondContact N-O 2.98Å; A54-V94 PolarHBondContact O-N 3.12Å; V94-I147 HydrophobicContact CG1-CD1 3.73Å; V94-I147 HydrophobicContact CG1-CG1 4.01Å; V94-I147 HydrophobicContact CG2-CG1 4.03Å; V94-I147 HydrophobicContact CG2-CG2 4.22Å; V94-F151 HydrophobicContact CG2-CD2 3.49Å; V94-F151 VanDerWaalsContact CG2-CD2 3.49Å; V94-F151 HydrophobicContact CG2-CE2 3.5Å; V94-F151 VanDerWaalsContact CG2-CE2 3.5Å; V94-F151 HydrophobicContact CG2-CG 4.2Å; V94-F151 HydrophobicContact CG2-CZ 4.2Å; V94-L156 HydrophobicContact CB-CD2 4.33Å; V94-L156 HydrophobicContact CG1-CD2 4.45Å; V94-L156 HydrophobicContact CG2-CD2 3.94Å |
| 95 | W | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.4 | 179.6 | -68.4 | 88 | 0 | 0 | 0 | 110.1 | R23 T24 L26 V42 F45 E46 F50 K51 L52 M93 V100 | R23-W95 CarbonylContact C-O 3.57Å; R23-W95 WeakPolarHBondContact CA-O 3.36Å; T24-W95 HydrophobicContact CG2-CB 4.06Å; T24-W95 PolarHBondContact N-O 2.76Å; T24-W95 PolarHBondContact O-N 3.31Å; T24-W95 VanDerWaalsContact O-N 3.09Å; L26-W95 VanDerWaalsContact CD1-CD1 3.45Å; L26-W95 HydrophobicContact CD1-CG 4.2Å; V42-W95 HydrophobicContact CB-CZ2 4.47Å; V42-W95 HydrophobicContact CG1-CH2 4.06Å; V42-W95 HydrophobicContact CG1-CZ2 4.18Å; V42-W95 HydrophobicContact CG2-CZ2 4.45Å; F45-W95 HydrophobicContact CB-CD2 3.75Å; F45-W95 HydrophobicContact CB-CE3 3.77Å; F45-W95 HydrophobicContact CB-CH2 3.77Å; F45-W95 HydrophobicContact CB-CZ2 3.73Å; F45-W95 HydrophobicContact CB-CZ3 3.77Å; F45-W95 HydrophobicContact CD2-CZ2 4.41Å; F45-W95 HydrophobicContact CG-CD2 4.32Å; F45-W95 HydrophobicContact CG-CZ2 4.43Å; E46-W95 HydrophobicContact CG-CH2 3.66Å; E46-W95 HydrophobicContact CG-CZ3 3.97Å; F50-W95 HydrophobicContact CB-CE3 3.76Å; F50-W95 HydrophobicContact CB-CZ3 4.47Å; F50-W95 WeakPolarHBondContact O-CZ3 3.41Å; K51-W95 CarbonylContact O-C 3.59Å; K51-W95 WeakPolarHBondContact O-CA 3.37Å; L52-W95 HydrophobicContact CB-CE3 4.11Å; L52-W95 HydrophobicContact CB-CH2 3.86Å; L52-W95 HydrophobicContact CB-CZ2 4.38Å; L52-W95 HydrophobicContact CB-CZ3 3.73Å; L52-W95 HydrophobicContact CD1-CD2 4.1Å; L52-W95 HydrophobicContact CD1-CE3 4.45Å; L52-W95 HydrophobicContact CD1-CH2 4.08Å; L52-W95 HydrophobicContact CD1-CZ2 3.72Å; L52-W95 HydrophobicContact CD1-CZ3 4.44Å; L52-W95 HydrophobicContact CD2-CH2 4.46Å; L52-W95 HydrophobicContact CG-CH2 4.36Å; L52-W95 HydrophobicContact CG-CZ2 4.45Å; M93-W95 HydrophobicContact SD-CZ2 4.26Å; W95-V100 HydrophobicContact CB-CG2 4.17Å |
| 96 | Q | 98.2 | Very high | 98.2 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141 | -179.1 | -168.4 | -176.1 | -68.9 | 0 | 0 | 111.1 | A20 H21 E22 R23 K51 V53 | A20-Q96 PolarHBondContact O-NE2 2.98Å; H21-Q96 WeakPolarHBondContact O-CG 3.42Å; E22-Q96 CarbonylContact O-C 3.54Å; E22-Q96 WeakPolarHBondContact O-CA 3.42Å; E22-Q96 VanDerWaalsContact O-CG 3.3Å; E22-Q96 WeakPolarHBondContact O-CG 3.38Å; R23-Q96 HydrophobicContact CG-CB 3.99Å; R23-Q96 HydrophobicContact CG-CG 3.84Å; R23-Q96 VanDerWaalsContact NH2-OE1 3.11Å; K51-Q96 HydrophobicContact CB-CB 4.33Å; K51-Q96 PolarHBondContact N-O 3.24Å; K51-Q96 PolarHBondContact O-N 2.84Å; V53-Q96 HydrophobicContact CG1-CB 3.97Å |
| 97 | G | 96.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 163.4 | 177.6 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | G19 E22 D99 V100 Y168 | G19-G97 CarbonylContact O-C 3.58Å; E22-G97 PolarHBondContact O-N 3.43Å; G97-D99 PolarHBondContact O-N 3.05Å; G97-V100 WeakPolarHBondContact O-CB 3.29Å; G97-V100 PolarHBondContact O-N 2.94Å; G97-Y168 WeakPolarHBondContact CA-OH 3.3Å |
| 98 | L | 96.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 31.4 Ų | 31.4 | 46% | 0.461 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 127.6 | 178.8 | 179.6 | 64.6 | 0 | 0 | 0 | 111.4 | G19 V100 Y168 | G19-L98 WeakPolarHBondContact O-CA 3.47Å; L98-V100 PolarHBondContact O-N 3.28Å; L98-Y168 HydrophobicContact CB-CD1 4.44Å; L98-Y168 HydrophobicContact CB-CE1 3.89Å |
| 99 | D | 96.6 | Very high | 98.3 | Very high | 71 Ų | 71 | 31.6 Ų | 31.6 | 38% | 0.38 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 34.9 | -178 | -66.1 | -13.8 | 0 | 0 | 0 | 112.4 | E22 G97 V101 R102 T103 | E22-D99 VanDerWaalsContact OE1-C 3.29Å; G97-D99 PolarHBondContact O-N 3.05Å; D99-V101 PolarHBondContact O-N 2.93Å; D99-R102 PolarHBondContact O-N 2.58Å; D99-T103 VanDerWaalsContact O-CB 3.26Å; D99-T103 WeakPolarHBondContact O-CB 3.38Å; D99-T103 PolarHBondContact O-N 3.18Å; D99-T103 PolarHBondContact O-OG1 3.43Å; D99-T103 VanDerWaalsContact O-OG1 3.12Å |
| 100 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -32.8 | -170.2 | 68.1 | 0 | 0 | 0 | 0 | 111.9 | E22 T24 F50 W95 G97 L98 S104 | E22-V100 HydrophobicContact CB-CG1 4.11Å; E22-V100 HydrophobicContact CG-CG1 3.89Å; E22-V100 WeakPolarHBondContact O-CG1 3.5Å; E22-V100 PolarHBondContact OE1-N 2.6Å; T24-V100 HydrophobicContact CG2-CB 4.43Å; T24-V100 HydrophobicContact CG2-CG1 4.1Å; T24-V100 HydrophobicContact CG2-CG2 3.67Å; F50-V100 HydrophobicContact CB-CG2 4.47Å; F50-V100 HydrophobicContact CD1-CB 4.26Å; F50-V100 HydrophobicContact CD1-CG2 3.79Å; F50-V100 HydrophobicContact CD2-CG2 3.77Å; F50-V100 HydrophobicContact CE1-CB 3.98Å; F50-V100 HydrophobicContact CE1-CG2 3.83Å; F50-V100 HydrophobicContact CE2-CG2 3.8Å; F50-V100 HydrophobicContact CG-CG2 3.76Å; F50-V100 HydrophobicContact CZ-CB 4.16Å; F50-V100 HydrophobicContact CZ-CG2 3.83Å; W95-V100 HydrophobicContact CB-CG2 4.17Å; G97-V100 WeakPolarHBondContact O-CB 3.29Å; G97-V100 PolarHBondContact O-N 2.94Å; L98-V100 PolarHBondContact O-N 3.28Å; V100-S104 WeakPolarHBondContact O-CA 3.47Å; V100-S104 WeakPolarHBondContact O-CB 3.32Å; V100-S104 PolarHBondContact O-N 2.86Å; V100-S104 PolarHBondContact O-OG 3.05Å |
| 101 | V | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -57.8 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | E22 D99 T103 S104 R105 V140 A143 | E22-V101 HydrophobicContact CG-CG2 4.32Å; E22-V101 WeakPolarHBondContact OE1-CB 3.49Å; E22-V101 WeakPolarHBondContact OE1-CG2 3.44Å; E22-V101 PolarHBondContact OE1-N 3.41Å; D99-V101 PolarHBondContact O-N 2.93Å; V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 PolarHBondContact O-N 3.24Å; V101-S104 PolarHBondContact O-N 3.11Å; V101-R105 WeakPolarHBondContact O-CG 3.36Å; V101-R105 PolarHBondContact O-N 3.39Å; V101-V140 HydrophobicContact CG2-CG2 4.23Å; V101-A143 HydrophobicContact CG2-CB 3.98Å |
| 102 | R | 98.1 | Very high | 98 | Very high | 194 Ų | 194 | 37.1 Ų | 37.1 | 73% | 0.732 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -59.3 | -46.3 | -178.5 | 179.5 | -176.9 | 177.6 | -172.7 | 0.4 | 111.4 | D99 R105 A106 | D99-R102 PolarHBondContact O-N 2.58Å; R102-R105 WeakPolarHBondContact O-CB 3.17Å; R102-R105 PolarHBondContact O-N 2.92Å; R102-A106 PolarHBondContact O-N 3.39Å; R102-A106 VanDerWaalsContact O-N 3.12Å |
| 103 | T | 98 | Very high | 97.9 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 22% | 0.215 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -73.8 | -35.4 | -175 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | K48 F50 D99 V101 R105 A106 L107 | K48-T103 HydrophobicContact CD-CG2 4.4Å; K48-T103 HydrophobicContact CG-CG2 4.36Å; F50-T103 HydrophobicContact CE2-CG2 3.97Å; F50-T103 HydrophobicContact CZ-CG2 3.49Å; F50-T103 VanDerWaalsContact CZ-CG2 3.49Å; D99-T103 VanDerWaalsContact O-CB 3.26Å; D99-T103 WeakPolarHBondContact O-CB 3.38Å; D99-T103 PolarHBondContact O-N 3.18Å; D99-T103 PolarHBondContact O-OG1 3.43Å; D99-T103 VanDerWaalsContact O-OG1 3.12Å; V101-T103 VanDerWaalsContact C-N 3.34Å; V101-T103 PolarHBondContact O-N 3.24Å; T103-R105 VanDerWaalsContact C-N 3.33Å; T103-R105 PolarHBondContact O-N 3.06Å; T103-A106 WeakPolarHBondContact O-CB 3.4Å; T103-A106 PolarHBondContact O-N 3.35Å; T103-L107 PolarHBondContact O-N 2.98Å |
| 104 | S | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 172.2 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | V100 V101 A106 L107 I108 | V100-S104 WeakPolarHBondContact O-CA 3.47Å; V100-S104 WeakPolarHBondContact O-CB 3.32Å; V100-S104 PolarHBondContact O-N 2.86Å; V100-S104 PolarHBondContact O-OG 3.05Å; V101-S104 PolarHBondContact O-N 3.11Å; S104-A106 VanDerWaalsContact C-N 3.31Å; S104-A106 PolarHBondContact O-N 2.89Å; S104-L107 PolarHBondContact O-N 3.4Å; S104-I108 WeakPolarHBondContact O-CB 3.33Å; S104-I108 WeakPolarHBondContact O-CD1 3.2Å; S104-I108 WeakPolarHBondContact O-CG1 3.28Å; S104-I108 PolarHBondContact O-N 2.83Å |
| 105 | R | 98.5 | Very high | 97.8 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 173.2 | -71.7 | -59.9 | -54.3 | -162.1 | -6.2 | 112.3 | V101 R102 T103 I108 G109 G136 S137 | V101-R105 WeakPolarHBondContact O-CG 3.36Å; V101-R105 PolarHBondContact O-N 3.39Å; R102-R105 WeakPolarHBondContact O-CB 3.17Å; R102-R105 PolarHBondContact O-N 2.92Å; T103-R105 VanDerWaalsContact C-N 3.33Å; T103-R105 PolarHBondContact O-N 3.06Å; R105-I108 PolarHBondContact O-N 3.43Å; R105-G109 PolarHBondContact O-N 3.06Å; R105-G109 VanDerWaalsContact O-N 3.15Å; R105-G136 WeakPolarHBondContact CD-O 3.14Å; R105-G136 PolarHBondContact NH1-O 3.16Å; R105-S137 VanDerWaalsContact CD-O 3.24Å; R105-S137 WeakPolarHBondContact CD-O 3.35Å; R105-S137 WeakPolarHBondContact CG-O 3.34Å |
| 106 | A | 98.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R102 T103 S104 I108 G109 | R102-A106 PolarHBondContact O-N 3.39Å; R102-A106 VanDerWaalsContact O-N 3.12Å; T103-A106 WeakPolarHBondContact O-CB 3.4Å; T103-A106 PolarHBondContact O-N 3.35Å; S104-A106 VanDerWaalsContact C-N 3.31Å; S104-A106 PolarHBondContact O-N 2.89Å; A106-I108 VanDerWaalsContact C-N 3.33Å; A106-I108 PolarHBondContact O-N 2.89Å; A106-G109 PolarHBondContact O-N 3.35Å |
| 107 | L | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | 175.5 | -75.9 | 172.7 | 0 | 0 | 0 | 113 | F45 K48 F50 T103 S104 T120 I121 | F45-L107 HydrophobicContact CD1-CD1 3.93Å; F45-L107 HydrophobicContact CE1-CB 4.26Å; F45-L107 HydrophobicContact CE1-CD1 3.97Å; K48-L107 HydrophobicContact CB-CD1 3.96Å; K48-L107 HydrophobicContact CD-CD1 4.41Å; K48-L107 HydrophobicContact CG-CD1 3.85Å; F50-L107 HydrophobicContact CE2-CD1 4.16Å; T103-L107 PolarHBondContact O-N 2.98Å; S104-L107 PolarHBondContact O-N 3.4Å; L107-T120 CarbonylContact O-C 3.53Å; L107-T120 VanDerWaalsContact O-CA 3.32Å; L107-T120 WeakPolarHBondContact O-CA 3.14Å; L107-T120 WeakPolarHBondContact O-CB 3.39Å; L107-I121 PolarHBondContact O-N 3.3Å |
| 108 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 179.8 | -73.4 | 165.9 | 0 | 0 | 0 | 111.4 | L26 F45 S104 R105 A106 I121 R122 I134 | L26-I108 HydrophobicContact CD2-CD1 3.92Å; F45-I108 HydrophobicContact CZ-CD1 4.46Å; F45-I108 HydrophobicContact CZ-CG1 4.09Å; S104-I108 WeakPolarHBondContact O-CB 3.33Å; S104-I108 WeakPolarHBondContact O-CD1 3.2Å; S104-I108 WeakPolarHBondContact O-CG1 3.28Å; S104-I108 PolarHBondContact O-N 2.83Å; R105-I108 PolarHBondContact O-N 3.43Å; A106-I108 VanDerWaalsContact C-N 3.33Å; A106-I108 PolarHBondContact O-N 2.89Å; I108-I121 HydrophobicContact CG1-CD1 4.32Å; I108-R122 HydrophobicContact CG2-CG 4.26Å; I108-R122 WeakPolarHBondContact O-CB 3.49Å; I108-R122 WeakPolarHBondContact O-CG 3.48Å; I108-R122 PolarHBondContact O-N 2.98Å; I108-I134 HydrophobicContact CB-CG2 4.37Å; I108-I134 HydrophobicContact CD1-CD1 4.35Å; I108-I134 HydrophobicContact CD1-CG2 4.47Å; I108-I134 HydrophobicContact CG1-CD1 4.18Å; I108-I134 HydrophobicContact CG1-CG2 3.95Å; I108-I134 HydrophobicContact CG2-CG2 3.69Å |
| 109 | G | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 9% | 0.093 | 33% | 0.327 | C | S | . | . | trans | 87 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R105 A106 R122 | R105-G109 PolarHBondContact O-N 3.06Å; R105-G109 VanDerWaalsContact O-N 3.15Å; A106-G109 PolarHBondContact O-N 3.35Å; G109-R122 PolarHBondContact O-NH1 3.4Å | ||
| 110 | A | 98 | Very high | 98 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 31% | 0.306 | 31% | 0.314 | S | S | . | . | trans | -56.7 | 153.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N112 D115 A116 R122 | A110-N112 VanDerWaalsContact C-N 3.28Å; A110-N112 PolarHBondContact O-N 3.47Å; A110-D115 HydrophobicContact CB-CB 4Å; A110-D115 WeakPolarHBondContact CB-O 3.35Å; A110-A116 HydrophobicContact CB-CB 4.24Å; A110-R122 WeakPolarHBondContact O-CD 3.49Å; A110-R122 PolarHBondContact O-NH1 3.45Å | ||
| 111 | T | 96.9 | Very high | 98 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -61.7 | -38.5 | -179.5 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | P113 V129 N132 | T111-P113 WeakPolarHBondContact O-CD 3.22Å; T111-V129 HydrophobicContact CG2-CG1 4.25Å; T111-N132 PolarHBondContact O-ND2 2.62Å; T111-N132 VanDerWaalsContact O-ND2 3.14Å |
| 112 | N | 96.8 | Very high | 98 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -84.6 | 117.6 | 170.9 | -179.8 | 12.9 | 0 | 0 | 0 | 109.3 | A110 A114 D115 A116 V129 | A110-N112 VanDerWaalsContact C-N 3.28Å; A110-N112 PolarHBondContact O-N 3.47Å; N112-A114 PolarHBondContact O-N 2.92Å; N112-A114 PolarHBondContact OD1-N 2.84Å; N112-D115 HydrophobicContact CB-CB 4.43Å; N112-D115 VanDerWaalsContact CB-OD2 3.3Å; N112-D115 WeakPolarHBondContact CB-OD2 3.48Å; N112-D115 PolarHBondContact ND2-OD2 3.15Å; N112-D115 PolarHBondContact O-N 3.03Å; N112-A116 PolarHBondContact O-N 3.25Å; N112-V129 HydrophobicContact CB-CG2 4.09Å; N112-V129 WeakPolarHBondContact OD1-CG2 3.35Å |
| 113 | P | 96.8 | Very high | 98 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -58 | -31 | -179.5 | -26.9 | 37 | 0 | 0 | 0 | 114.1 | T111 D115 A116 C126 N132 | T111-P113 WeakPolarHBondContact O-CD 3.22Å; P113-D115 PolarHBondContact O-N 2.93Å; P113-A116 WeakPolarHBondContact O-CB 3.48Å; P113-A116 PolarHBondContact O-N 3.43Å; P113-C126 HydrophobicContact CB-CB 3.65Å; P113-C126 WeakPolarHBondContact CB-O 3.49Å; P113-C126 HydrophobicContact CG-CB 3.34Å; P113-N132 HydrophobicContact CG-CB 4.46Å |
| 114 | A | 96.8 | Very high | 98 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 71% | 0.711 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -63.6 | -24.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N112 | N112-A114 PolarHBondContact O-N 2.92Å; N112-A114 PolarHBondContact OD1-N 2.84Å |
| 115 | D | 98.3 | Very high | 98 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -99.9 | 1.1 | 177.7 | -54.4 | -46.1 | 0 | 0 | 0 | 112 | A110 N112 P113 P117 | A110-D115 HydrophobicContact CB-CB 4Å; A110-D115 WeakPolarHBondContact CB-O 3.35Å; N112-D115 HydrophobicContact CB-CB 4.43Å; N112-D115 VanDerWaalsContact CB-OD2 3.3Å; N112-D115 WeakPolarHBondContact CB-OD2 3.48Å; N112-D115 PolarHBondContact ND2-OD2 3.15Å; N112-D115 PolarHBondContact O-N 3.03Å; P113-D115 PolarHBondContact O-N 2.93Å; D115-P117 WeakPolarHBondContact O-CD 3.29Å |
| 116 | A | 98 | Very high | 98 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -90.4 | 119 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A110 N112 P113 R122 G123 | A110-A116 HydrophobicContact CB-CB 4.24Å; N112-A116 PolarHBondContact O-N 3.25Å; P113-A116 WeakPolarHBondContact O-CB 3.48Å; P113-A116 PolarHBondContact O-N 3.43Å; A116-R122 HydrophobicContact CB-CB 3.92Å; A116-G123 WeakPolarHBondContact O-CA 3.29Å |
| 117 | P | 97.5 | Very high | 97.9 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 51% | 0.506 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 149.2 | -178.5 | -24.7 | 34.4 | 0 | 0 | 0 | 112.9 | D115 T120 | D115-P117 WeakPolarHBondContact O-CD 3.29Å; P117-T120 HydrophobicContact CB-CG2 4.47Å; P117-T120 WeakPolarHBondContact O-CB 3.3Å; P117-T120 WeakPolarHBondContact O-CG2 3.25Å; P117-T120 PolarHBondContact O-N 3.48Å; P117-T120 PolarHBondContact O-OG1 3.16Å |
| 118 | P | 97.9 | Very high | 97.8 | Very high | 123 Ų | 123 | 52.2 Ų | 52.2 | 80% | 0.799 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 142.7 | 168.4 | -26 | 34.7 | 0 | 0 | 0 | 112 | T120 | P118-T120 VanDerWaalsContact C-N 3.31Š|
| 119 | G | 97.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 55.8 Ų | 55.8 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -16.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R44 D124 | R44-G119 PolarHBondContact NH1-O 2.99Å; G119-D124 WeakPolarHBondContact CA-OD1 3.38Å; G119-D124 PolarHBondContact N-OD1 3.28Å |
| 120 | T | 98.7 | Very high | 97.4 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -80.5 | 154.6 | 167.9 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | L107 P117 P118 R122 G123 D124 | L107-T120 CarbonylContact O-C 3.53Å; L107-T120 VanDerWaalsContact O-CA 3.32Å; L107-T120 WeakPolarHBondContact O-CA 3.14Å; L107-T120 WeakPolarHBondContact O-CB 3.39Å; P117-T120 HydrophobicContact CB-CG2 4.47Å; P117-T120 WeakPolarHBondContact O-CB 3.3Å; P117-T120 WeakPolarHBondContact O-CG2 3.25Å; P117-T120 PolarHBondContact O-N 3.48Å; P117-T120 PolarHBondContact O-OG1 3.16Å; P118-T120 VanDerWaalsContact C-N 3.31Å; T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.37Å; T120-G123 PolarHBondContact O-N 2.88Å; T120-G123 PolarHBondContact OG1-N 3.22Å; T120-D124 WeakPolarHBondContact O-CB 3.27Å; T120-D124 VanDerWaalsContact O-CG 3.25Å; T120-D124 PolarHBondContact O-N 3.14Å |
| 121 | I | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.5 | -43.1 | -179.2 | -63.2 | 172.2 | 0 | 0 | 0 | 111 | I41 R44 F45 L107 I108 F125 L133 I134 | I41-I121 HydrophobicContact CG1-CG2 4.41Å; I41-I121 HydrophobicContact CG2-CD1 4.4Å; R44-I121 HydrophobicContact CB-CD1 4.39Å; R44-I121 HydrophobicContact CG-CD1 4.44Å; R44-I121 HydrophobicContact CG-CG1 4.17Å; F45-I121 HydrophobicContact CE2-CD1 3.77Å; F45-I121 HydrophobicContact CZ-CD1 3.74Å; L107-I121 PolarHBondContact O-N 3.3Å; I108-I121 HydrophobicContact CG1-CD1 4.32Å; I121-F125 HydrophobicContact CG2-CD2 4.24Å; I121-F125 WeakPolarHBondContact O-CB 3.39Å; I121-F125 VanDerWaalsContact O-CD2 3.29Å; I121-F125 WeakPolarHBondContact O-CD2 3.29Å; I121-F125 PolarHBondContact O-N 3.46Å; I121-L133 HydrophobicContact CG2-CD2 3.62Å; I121-I134 HydrophobicContact CB-CG2 4.49Å; I121-I134 HydrophobicContact CD1-CD1 4.03Å; I121-I134 HydrophobicContact CG2-CG2 3.96Å |
| 122 | R | 98.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 2% | 0.023 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75 | -37.6 | 179.7 | -69.3 | 174.6 | -178.6 | 154.1 | -0.1 | 112.7 | I108 G109 A110 A116 T120 D124 C126 N132 I134 | I108-R122 HydrophobicContact CG2-CG 4.26Å; I108-R122 WeakPolarHBondContact O-CB 3.49Å; I108-R122 WeakPolarHBondContact O-CG 3.48Å; I108-R122 PolarHBondContact O-N 2.98Å; G109-R122 PolarHBondContact O-NH1 3.4Å; A110-R122 WeakPolarHBondContact O-CD 3.49Å; A110-R122 PolarHBondContact O-NH1 3.45Å; A116-R122 HydrophobicContact CB-CB 3.92Å; T120-R122 VanDerWaalsContact C-N 3.27Å; T120-R122 PolarHBondContact O-N 3.37Å; R122-D124 VanDerWaalsContact C-N 3.31Å; R122-D124 PolarHBondContact O-N 2.96Å; R122-C126 HydrophobicContact CB-CB 4.3Å; R122-C126 VanDerWaalsContact O-CB 3.27Å; R122-C126 WeakPolarHBondContact O-CB 3.38Å; R122-C126 PolarHBondContact O-N 2.7Å; R122-N132 HydrophobicContact CG-CB 4.48Å; R122-N132 PolarHBondContact NE-O 3.14Å; R122-I134 PolarHBondContact NH2-O 2.97Å |
| 123 | G | 98.2 | Very high | 97.5 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.2 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A116 T120 | A116-G123 WeakPolarHBondContact O-CA 3.29Å; T120-G123 PolarHBondContact O-N 2.88Å; T120-G123 PolarHBondContact OG1-N 3.22Å |
| 124 | D | 98.5 | Very high | 97.6 | Very high | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -80.6 | -32.4 | -179.1 | -68.3 | -14.2 | 0 | 0 | 0 | 113.4 | R44 G119 T120 R122 | R44-D124 IonicContact CZ-OD2 2.92Å; R44-D124 VanDerWaalsContact CZ-OD2 3.3Å; R44-D124 IonicContact NH1-OD2 2.91Å; R44-D124 PolarHBondContact NH1-OD2 3.49Å; R44-D124 IonicContact NH2-OD2 2.77Å; R44-D124 PolarHBondContact NH2-OD2 3.11Å; G119-D124 WeakPolarHBondContact CA-OD1 3.38Å; G119-D124 PolarHBondContact N-OD1 3.28Å; T120-D124 WeakPolarHBondContact O-CB 3.27Å; T120-D124 VanDerWaalsContact O-CG 3.25Å; T120-D124 PolarHBondContact O-N 3.14Å; R122-D124 VanDerWaalsContact C-N 3.31Å; R122-D124 PolarHBondContact O-N 2.96Å |
| 125 | F | 98.4 | Very high | 97.6 | Very high | 48 Ų | 48 | 52.3 Ų | 52.3 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -128 | -9.9 | -163.7 | -58.1 | -58.1 | 0 | 0 | 0 | 116 | R35 L37 E40 I121 L133 | R35-F125 VanDerWaalsContact CZ-O 3.29Å; R35-F125 PolarHBondContact NH1-O 2.92Å; R35-F125 PolarHBondContact NH2-O 3.38Å; L37-F125 HydrophobicContact CD1-CB 4.32Å; L37-F125 HydrophobicContact CD1-CG 4.42Å; E40-F125 HydrophobicContact CG-CE2 3.69Å; E40-F125 HydrophobicContact CG-CZ 3.54Å; I121-F125 HydrophobicContact CG2-CD2 4.24Å; I121-F125 WeakPolarHBondContact O-CB 3.39Å; I121-F125 VanDerWaalsContact O-CD2 3.29Å; I121-F125 WeakPolarHBondContact O-CD2 3.29Å; I121-F125 PolarHBondContact O-N 3.46Å; F125-L133 HydrophobicContact CB-CD1 3.45Å; F125-L133 VanDerWaalsContact CB-CD1 3.45Å; F125-L133 HydrophobicContact CG-CD1 4.3Å |
| 126 | C | 98.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 47.2 Ų | 47.2 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | trans | -110.1 | 149.6 | -175.7 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | P113 R122 N132 L133 | P113-C126 HydrophobicContact CB-CB 3.65Å; P113-C126 WeakPolarHBondContact CB-O 3.49Å; P113-C126 HydrophobicContact CG-CB 3.34Å; R122-C126 HydrophobicContact CB-CB 4.3Å; R122-C126 VanDerWaalsContact O-CB 3.27Å; R122-C126 WeakPolarHBondContact O-CB 3.38Å; R122-C126 PolarHBondContact O-N 2.7Å; C126-N132 VanDerWaalsContact SG-CA 3.58Å; C126-L133 WeakPolarHBondContact SG-CB 3.22Å | ||
| 127 | I | 97.1 | Very high | 97.7 | Very high | 152 Ų | 152 | 46.8 Ų | 46.8 | 78% | 0.779 | 28% | 0.28 | S | S | * | . | trans | -120.1 | -45.7 | 178.2 | -54.7 | -62.9 | 0 | 0 | 0 | 109.9 | ||||
| 128 | E | 95.5 | Very high | 97.7 | Very high | 130 Ų | 130 | 48 Ų | 48 | 61% | 0.607 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -111.9 | 145.5 | -178.1 | -65 | -166.9 | 155.8 | 0 | 0 | 113 | G130 K131 | E128-G130 VanDerWaalsContact C-N 3.26Å; E128-G130 PolarHBondContact O-N 3.17Å; E128-K131 CarbonylContact O-C 3.36Å; E128-K131 PolarHBondContact O-N 2.95Å |
| 129 | V | 95 | Very high | 97.6 | Very high | 75 Ų | 75 | 44 Ų | 44 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -56.7 | -39 | 177.9 | -172 | 0 | 0 | 0 | 0 | 112.4 | T111 N112 K131 | T111-V129 HydrophobicContact CG2-CG1 4.25Å; N112-V129 HydrophobicContact CB-CG2 4.09Å; N112-V129 WeakPolarHBondContact OD1-CG2 3.35Å; V129-K131 VanDerWaalsContact C-N 3.27Å; V129-K131 PolarHBondContact O-N 2.79Å |
| 130 | G | 94.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -68.5 | -23.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y84 E128 | Y84-G130 WeakPolarHBondContact CD1-O 3.35Å; Y84-G130 WeakPolarHBondContact CE1-O 3.49Å; E128-G130 VanDerWaalsContact C-N 3.26Å; E128-G130 PolarHBondContact O-N 3.17Å |
| 131 | K | 96.6 | Very high | 97.6 | Very high | 122 Ų | 122 | 48.4 Ų | 48.4 | 53% | 0.53 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -129.9 | 70.3 | -179.7 | -65.7 | 179.1 | -173.9 | 169.1 | 0 | 109.2 | D31 Y84 E128 V129 | D31-K131 HydrophobicContact CB-CB 4.38Å; D31-K131 VanDerWaalsContact OD2-C 3.22Å; Y84-K131 HydrophobicContact CE2-CG 4.06Å; E128-K131 CarbonylContact O-C 3.36Å; E128-K131 PolarHBondContact O-N 2.95Å; V129-K131 VanDerWaalsContact C-N 3.27Å; V129-K131 PolarHBondContact O-N 2.79Å |
| 132 | N | 97.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.027 | 27% | 0.266 | C | S | . | . | trans | -104.4 | 27.3 | -174.9 | 70.6 | -4.6 | 0 | 0 | 0 | 113.6 | K29 T111 P113 R122 C126 I134 | K29-N132 PolarHBondContact NZ-OD1 3.07Å; T111-N132 PolarHBondContact O-ND2 2.62Å; T111-N132 VanDerWaalsContact O-ND2 3.14Å; P113-N132 HydrophobicContact CG-CB 4.46Å; R122-N132 HydrophobicContact CG-CB 4.48Å; R122-N132 PolarHBondContact NE-O 3.14Å; C126-N132 VanDerWaalsContact SG-CA 3.58Å; N132-I134 PolarHBondContact O-N 3.08Å | ||
| 133 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 69.5 | -38.3 | 156.7 | -167 | 160 | 0 | 0 | 0 | 118.3 | K29 D31 L37 I41 I121 F125 C126 | K29-L133 WeakPolarHBondContact CB-O 3.47Å; K29-L133 PolarHBondContact N-O 2.79Å; D31-L133 VanDerWaalsContact OD1-CA 3.27Å; D31-L133 WeakPolarHBondContact OD1-CA 3.4Å; D31-L133 WeakPolarHBondContact OD2-CA 3.5Å; D31-L133 PolarHBondContact OD2-N 3.09Å; D31-L133 VanDerWaalsContact OD2-N 3.08Å; L37-L133 HydrophobicContact CD1-CD1 3.42Å; L37-L133 VanDerWaalsContact CD1-CD1 3.42Å; L37-L133 HydrophobicContact CD1-CG 4.34Å; I41-L133 HydrophobicContact CD1-CD2 3.24Å; I41-L133 HydrophobicContact CD1-CG 4.38Å; I41-L133 HydrophobicContact CG1-CD2 3.73Å; I121-L133 HydrophobicContact CG2-CD2 3.62Å; F125-L133 HydrophobicContact CB-CD1 3.45Å; F125-L133 VanDerWaalsContact CB-CD1 3.45Å; F125-L133 HydrophobicContact CG-CD1 4.3Å; C126-L133 WeakPolarHBondContact SG-CB 3.22Å |
| 134 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 140.1 | -174.6 | -168.8 | 172 | 0 | 0 | 0 | 112.2 | A27 I41 F45 I108 I121 R122 N132 | A27-I134 CarbonylContact O-C 3.58Å; A27-I134 WeakPolarHBondContact O-CA 3.3Å; I41-I134 HydrophobicContact CG2-CD1 3.51Å; F45-I134 HydrophobicContact CE2-CD1 3.68Å; F45-I134 HydrophobicContact CZ-CD1 3.94Å; I108-I134 HydrophobicContact CB-CG2 4.37Å; I108-I134 HydrophobicContact CD1-CD1 4.35Å; I108-I134 HydrophobicContact CD1-CG2 4.47Å; I108-I134 HydrophobicContact CG1-CD1 4.18Å; I108-I134 HydrophobicContact CG1-CG2 3.95Å; I108-I134 HydrophobicContact CG2-CG2 3.69Å; I121-I134 HydrophobicContact CB-CG2 4.49Å; I121-I134 HydrophobicContact CD1-CD1 4.03Å; I121-I134 HydrophobicContact CG2-CG2 3.96Å; R122-I134 PolarHBondContact NH2-O 2.97Å; N132-I134 PolarHBondContact O-N 3.08Å |
| 135 | H | 98.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 147.1 | 164.3 | 175.2 | 82.2 | 0 | 0 | 0 | 109.9 | F25 L26 A27 H68 E146 | F25-H135 AromaticContact CD1-CD2 3.7Å; F25-H135 AromaticContact CE1-CD2 3.78Å; L26-H135 WeakPolarHBondContact CA-O 3.42Å; A27-H135 HydrophobicContact CB-CB 4.22Å; A27-H135 PolarHBondContact N-O 2.94Å; A27-H135 PolarHBondContact O-N 2.66Å; H68-H135 AromaticContact CE1-CD2 3.88Å; H68-H135 AromaticContact CE1-CE1 3.92Å; H68-H135 AromaticContact CE1-NE2 3.46Å; H68-H135 PolarHBondContact CE1-NE2 2.9Å; H68-H135 AromaticContact NE2-CD2 3.78Å; H68-H135 AromaticContact NE2-CE1 3.45Å; H68-H135 PolarHBondContact NE2-CE1 3.49Å; H68-H135 AromaticContact NE2-CG 4Å; H68-H135 AromaticContact NE2-ND1 3.85Å; H68-H135 AromaticContact NE2-NE2 3.43Å; H68-H135 PolarHBondContact NE2-NE2 2.91Å; H135-E146 IonicContact CD2-OE2 3.7Å; H135-E146 IonicContact CE1-OE1 3.17Å; H135-E146 IonicContact CE1-OE2 3.61Å; H135-E146 IonicContact NE2-OE1 2.7Å; H135-E146 PolarHBondContact NE2-OE1 2.95Å; H135-E146 IonicContact NE2-OE2 3.85Å; H135-E146 PolarHBondContact NE2-OE2 3.11Å |
| 136 | G | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F25 R105 | F25-G136 WeakPolarHBondContact O-CA 3.41Å; R105-G136 WeakPolarHBondContact CD-O 3.14Å; R105-G136 PolarHBondContact NH1-O 3.16Å |
| 137 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -51.7 | 141.8 | -179.1 | -44.9 | 0 | 0 | 0 | 0 | 111.6 | F25 R105 A143 E146 | F25-S137 WeakPolarHBondContact CB-OG 3.37Å; F25-S137 PolarHBondContact N-OG 2.77Å; F25-S137 PolarHBondContact O-N 2.93Å; F25-S137 VanDerWaalsContact O-N 3.13Å; F25-S137 PolarHBondContact O-OG 2.97Å; F25-S137 VanDerWaalsContact O-OG 3.08Å; R105-S137 VanDerWaalsContact CD-O 3.24Å; R105-S137 WeakPolarHBondContact CD-O 3.35Å; R105-S137 WeakPolarHBondContact CG-O 3.34Å; S137-A143 WeakPolarHBondContact OG-CA 3.49Å; S137-E146 WeakPolarHBondContact CB-OE2 3.41Å; S137-E146 PolarHBondContact OG-OE2 2.89Å | ||
| 138 | D | 97.2 | Very high | 97.5 | Very high | 105 Ų | 105 | 50 Ų | 50 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -95.7 | -10.5 | -175.6 | 61.6 | 5.8 | 0 | 0 | 0 | 114.4 | S142 | D138-S142 PolarHBondContact N-OG 3.43Å; D138-S142 VanDerWaalsContact OD1-CB 3.26Å; D138-S142 WeakPolarHBondContact OD1-CB 3.4Å; D138-S142 PolarHBondContact OD1-OG 2.92Å |
| 139 | S | 97.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 45.6 Ų | 45.6 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -153.3 | 164.5 | -178.9 | 56.1 | 0 | 0 | 0 | 0 | 109.8 | E141 S142 A143 | S139-E141 PolarHBondContact O-N 2.77Å; S139-S142 PolarHBondContact N-OG 3.33Å; S139-S142 PolarHBondContact O-N 3.35Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-S142 VanDerWaalsContact O-OG 3.1Å; S139-S142 WeakPolarHBondContact OG-CB 3.44Å; S139-S142 PolarHBondContact OG-N 3.35Å; S139-S142 VanDerWaalsContact OG-N 3.08Å; S139-S142 PolarHBondContact OG-OG 2.87Å; S139-A143 WeakPolarHBondContact O-CB 3.27Å; S139-A143 PolarHBondContact O-N 3.35Å |
| 140 | V | 97.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.3 | -34.2 | 176.3 | -179.9 | 0 | 0 | 0 | 0 | 110 | E22 V101 A143 R144 | E22-V140 HydrophobicContact CG-CG2 4.41Å; E22-V140 WeakPolarHBondContact OE2-CG2 3.43Å; V101-V140 HydrophobicContact CG2-CG2 4.23Å; V140-A143 PolarHBondContact O-N 3.23Å; V140-R144 VanDerWaalsContact CG1-NH2 3.29Å; V140-R144 WeakPolarHBondContact O-CG 3.48Å; V140-R144 PolarHBondContact O-N 2.79Å |
| 141 | E | 97.2 | Very high | 98 | Very high | 127 Ų | 127 | 40.6 Ų | 40.6 | 59% | 0.593 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.3 | -49 | 175.7 | -65.5 | 67.9 | -149.2 | 0 | 0 | 111.2 | S139 A143 R144 R145 | S139-E141 PolarHBondContact O-N 2.77Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-R144 PolarHBondContact O-N 2.76Å; E141-R145 PolarHBondContact O-N 2.71Å |
| 142 | S | 97.6 | Very high | 98 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 176 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | D138 S139 R144 R145 E146 | D138-S142 PolarHBondContact N-OG 3.43Å; D138-S142 VanDerWaalsContact OD1-CB 3.26Å; D138-S142 WeakPolarHBondContact OD1-CB 3.4Å; D138-S142 PolarHBondContact OD1-OG 2.92Å; S139-S142 PolarHBondContact N-OG 3.33Å; S139-S142 PolarHBondContact O-N 3.35Å; S139-S142 PolarHBondContact O-OG 2.92Å; S139-S142 VanDerWaalsContact O-OG 3.1Å; S139-S142 WeakPolarHBondContact OG-CB 3.44Å; S139-S142 PolarHBondContact OG-N 3.35Å; S139-S142 VanDerWaalsContact OG-N 3.08Å; S139-S142 PolarHBondContact OG-OG 2.87Å; S142-R144 PolarHBondContact O-N 3.41Å; S142-R145 PolarHBondContact O-N 3.06Å; S142-E146 VanDerWaalsContact O-CB 3.27Å; S142-E146 WeakPolarHBondContact O-CB 3.36Å; S142-E146 WeakPolarHBondContact O-CG 3.22Å; S142-E146 PolarHBondContact O-N 2.91Å |
| 143 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.4 | -47.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R23 V101 S137 S139 V140 E141 R145 E146 I147 | R23-A143 WeakPolarHBondContact O-CB 2.97Å; V101-A143 HydrophobicContact CG2-CB 3.98Å; S137-A143 WeakPolarHBondContact OG-CA 3.49Å; S139-A143 WeakPolarHBondContact O-CB 3.27Å; S139-A143 PolarHBondContact O-N 3.35Å; V140-A143 PolarHBondContact O-N 3.23Å; E141-A143 VanDerWaalsContact C-N 3.34Å; A143-R145 PolarHBondContact O-N 2.93Å; A143-E146 PolarHBondContact O-N 3.14Å; A143-I147 WeakPolarHBondContact O-CB 3.11Å; A143-I147 WeakPolarHBondContact O-CD1 3.35Å; A143-I147 WeakPolarHBondContact O-CG1 3.19Å; A143-I147 PolarHBondContact O-N 2.73Å |
| 144 | R | 97 | Very high | 97.7 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -47.2 | 178.7 | -72.9 | 172.8 | -170.2 | 152.7 | 10.3 | 112.2 | V140 E141 S142 I147 A148 | V140-R144 VanDerWaalsContact CG1-NH2 3.29Å; V140-R144 WeakPolarHBondContact O-CG 3.48Å; V140-R144 PolarHBondContact O-N 2.79Å; E141-R144 PolarHBondContact O-N 2.76Å; S142-R144 PolarHBondContact O-N 3.41Å; R144-I147 PolarHBondContact O-N 2.94Å; R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 3.29Å |
| 145 | R | 97.9 | Very high | 97.7 | Very high | 121 Ų | 121 | 52.8 Ų | 52.8 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 178.8 | 179.4 | 179 | 55.9 | -157.4 | -3.1 | 111.4 | E71 E141 S142 A143 A148 L149 | E71-R145 IonicContact OE1-CZ 3.64Å; E71-R145 IonicContact OE1-NH1 2.94Å; E71-R145 PolarHBondContact OE1-NH1 2.91Å; E71-R145 IonicContact OE1-NH2 2.94Å; E71-R145 PolarHBondContact OE1-NH2 3.25Å; E71-R145 IonicContact OE2-NH2 3.76Å; E71-R145 PolarHBondContact OE2-NH2 3.19Å; E141-R145 PolarHBondContact O-N 2.71Å; S142-R145 PolarHBondContact O-N 3.06Å; A143-R145 PolarHBondContact O-N 2.93Å; R145-A148 PolarHBondContact O-N 3.37Å; R145-L149 WeakPolarHBondContact O-CB 3.46Å; R145-L149 PolarHBondContact O-N 3.39Å |
| 146 | E | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 178.6 | -69.5 | 173.4 | -172.3 | 0 | 0 | 111.5 | F25 H68 H135 S137 S142 A143 A148 L149 W150 | F25-E146 HydrophobicContact CB-CB 3.69Å; F25-E146 HydrophobicContact CD1-CB 3.84Å; F25-E146 HydrophobicContact CD1-CG 4.45Å; F25-E146 WeakPolarHBondContact CD1-OE2 3.43Å; F25-E146 HydrophobicContact CG-CB 3.8Å; H68-E146 IonicContact CE1-OE1 3.79Å; H68-E146 IonicContact CE1-OE2 3.44Å; H135-E146 IonicContact CD2-OE2 3.7Å; H135-E146 IonicContact CE1-OE1 3.17Å; H135-E146 IonicContact CE1-OE2 3.61Å; H135-E146 IonicContact NE2-OE1 2.7Å; H135-E146 PolarHBondContact NE2-OE1 2.95Å; H135-E146 IonicContact NE2-OE2 3.85Å; H135-E146 PolarHBondContact NE2-OE2 3.11Å; S137-E146 WeakPolarHBondContact CB-OE2 3.41Å; S137-E146 PolarHBondContact OG-OE2 2.89Å; S142-E146 VanDerWaalsContact O-CB 3.27Å; S142-E146 WeakPolarHBondContact O-CB 3.36Å; S142-E146 WeakPolarHBondContact O-CG 3.22Å; S142-E146 PolarHBondContact O-N 2.91Å; A143-E146 PolarHBondContact O-N 3.14Å; E146-A148 PolarHBondContact O-N 2.92Å; E146-L149 PolarHBondContact O-N 3.4Å; E146-W150 PolarHBondContact O-N 2.94Å; E146-W150 VanDerWaalsContact O-N 3.08Å |
| 147 | I | 98.5 | Very high | 97.5 | Very high | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 174.9 | -68.7 | 165.8 | 0 | 0 | 0 | 110.4 | R23 F25 V94 A143 R144 L149 W150 F151 L156 | R23-I147 HydrophobicContact CB-CD1 3.67Å; F25-I147 HydrophobicContact CB-CG1 3.93Å; V94-I147 HydrophobicContact CG1-CD1 3.73Å; V94-I147 HydrophobicContact CG1-CG1 4.01Å; V94-I147 HydrophobicContact CG2-CG1 4.03Å; V94-I147 HydrophobicContact CG2-CG2 4.22Å; A143-I147 WeakPolarHBondContact O-CB 3.11Å; A143-I147 WeakPolarHBondContact O-CD1 3.35Å; A143-I147 WeakPolarHBondContact O-CG1 3.19Å; A143-I147 PolarHBondContact O-N 2.73Å; R144-I147 PolarHBondContact O-N 2.94Å; I147-L149 PolarHBondContact O-N 3.14Å; I147-W150 PolarHBondContact O-N 3.4Å; I147-F151 PolarHBondContact O-N 3.15Å; I147-L156 HydrophobicContact CG2-CD1 3.89Å; I147-L156 HydrophobicContact CG2-CD2 4.14Å |
| 148 | A | 98.2 | Very high | 97.1 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.9 | -30.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R144 R145 E146 | R144-A148 WeakPolarHBondContact O-CB 3.36Å; R144-A148 PolarHBondContact O-N 3.29Å; R145-A148 PolarHBondContact O-N 3.37Å; E146-A148 PolarHBondContact O-N 2.92Å |
| 149 | L | 98.1 | Very high | 97 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 20% | 0.199 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.6 | -36.9 | 177.2 | -178 | 60.3 | 0 | 0 | 0 | 112.3 | L64 E67 H68 R145 E146 I147 | L64-L149 HydrophobicContact CD1-CD1 3.63Å; L64-L149 HydrophobicContact CD1-CD2 4.17Å; L64-L149 HydrophobicContact CD1-CG 3.56Å; E67-L149 HydrophobicContact CB-CD1 4.36Å; E67-L149 HydrophobicContact CB-CD2 4.16Å; E67-L149 HydrophobicContact CG-CD1 3.93Å; E67-L149 HydrophobicContact CG-CD2 4.01Å; E67-L149 WeakPolarHBondContact OE1-CD1 3.42Å; E67-L149 WeakPolarHBondContact OE2-CD1 3.37Å; H68-L149 VanDerWaalsContact CA-CD2 3.48Å; H68-L149 HydrophobicContact CB-CD2 3.66Å; R145-L149 WeakPolarHBondContact O-CB 3.46Å; R145-L149 PolarHBondContact O-N 3.39Å; E146-L149 PolarHBondContact O-N 3.4Å; I147-L149 PolarHBondContact O-N 3.14Å |
| 150 | W | 98.6 | Very high | 96.7 | Very high | 10 Ų | 10 | 71 Ų | 71 | 4% | 0.038 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -96.9 | -24.2 | -173.8 | -73.9 | 77.4 | 0 | 0 | 0 | 114 | F25 K56 V58 A60 L64 L65 H68 V90 A92 E146 I147 | F25-W150 HydrophobicContact CD2-CB 4.2Å; F25-W150 HydrophobicContact CD2-CG 4.25Å; F25-W150 HydrophobicContact CE1-CD2 4.48Å; F25-W150 HydrophobicContact CE1-CG 4.43Å; F25-W150 AromaticContact CE1-NE1 3.96Å; F25-W150 HydrophobicContact CE2-CB 3.5Å; F25-W150 AromaticContact CE2-CD1 3.69Å; F25-W150 AromaticContact CE2-CD2 3.75Å; F25-W150 HydrophobicContact CE2-CD2 3.75Å; F25-W150 HydrophobicContact CE2-CE3 4.36Å; F25-W150 AromaticContact CE2-CG 3.34Å; F25-W150 HydrophobicContact CE2-CG 3.34Å; F25-W150 HydrophobicContact CZ-CB 4.15Å; F25-W150 AromaticContact CZ-CD1 3.56Å; F25-W150 AromaticContact CZ-CD2 3.44Å; F25-W150 HydrophobicContact CZ-CD2 3.44Å; F25-W150 VanDerWaalsContact CZ-CD2 3.44Å; F25-W150 AromaticContact CZ-CE2 3.53Å; F25-W150 HydrophobicContact CZ-CE3 4.08Å; F25-W150 AromaticContact CZ-CG 3.45Å; F25-W150 HydrophobicContact CZ-CG 3.45Å; F25-W150 VanDerWaalsContact CZ-CG 3.45Å; F25-W150 HydrophobicContact CZ-CZ2 4.21Å; F25-W150 AromaticContact CZ-NE1 3.58Å; K56-W150 WeakPolarHBondContact CE-O 3.4Å; K56-W150 PolarHBondContact NZ-O 3.12Å; V58-W150 HydrophobicContact CG2-CE3 4.3Å; V58-W150 HydrophobicContact CG2-CZ3 3.75Å; A60-W150 HydrophobicContact CB-CH2 3.73Å; A60-W150 HydrophobicContact CB-CZ3 4.08Å; L64-W150 HydrophobicContact CD2-CD2 4.28Å; L64-W150 HydrophobicContact CD2-CE3 4.13Å; L64-W150 HydrophobicContact CD2-CH2 4.24Å; L64-W150 HydrophobicContact CD2-CZ2 4.36Å; L64-W150 HydrophobicContact CD2-CZ3 4.12Å; L65-W150 HydrophobicContact CD2-CH2 4.13Å; L65-W150 HydrophobicContact CD2-CZ2 4.07Å; H68-W150 AromaticContact CE1-NE1 3.8Å; H68-W150 AromaticContact CG-NE1 3.63Å; H68-W150 AromaticContact ND1-CD1 3.9Å; H68-W150 AromaticContact ND1-NE1 3.07Å; H68-W150 PolarHBondContact ND1-NE1 2.87Å; V90-W150 HydrophobicContact CG1-CH2 4.17Å; V90-W150 HydrophobicContact CG1-CZ3 4.2Å; A92-W150 HydrophobicContact CB-CD2 4.4Å; A92-W150 HydrophobicContact CB-CE3 3.64Å; A92-W150 HydrophobicContact CB-CZ3 4.11Å; E146-W150 PolarHBondContact O-N 2.94Å; E146-W150 VanDerWaalsContact O-N 3.08Å; I147-W150 PolarHBondContact O-N 3.4Å |
| 151 | F | 98.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | trans | -133.4 | 135.8 | -174.1 | -66.4 | -87.5 | 0 | 0 | 0 | 111.8 | F25 A54 K56 A92 V94 I147 E155 L156 | F25-F151 HydrophobicContact CD2-CE2 4.16Å; F25-F151 AromaticContact CE2-CE2 3.96Å; F25-F151 HydrophobicContact CE2-CE2 3.96Å; A54-F151 HydrophobicContact CB-CD1 3.75Å; A54-F151 HydrophobicContact CB-CE1 3.56Å; A54-F151 HydrophobicContact CB-CG 4.31Å; A54-F151 HydrophobicContact CB-CZ 3.99Å; K56-F151 HydrophobicContact CD-CD1 4.32Å; K56-F151 HydrophobicContact CD-CE1 3.86Å; K56-F151 HydrophobicContact CD-CZ 4.49Å; K56-F151 HydrophobicContact CG-CE1 3.7Å; K56-F151 HydrophobicContact CG-CZ 4Å; A92-F151 HydrophobicContact CB-CE2 3.96Å; A92-F151 HydrophobicContact CB-CZ 3.82Å; V94-F151 HydrophobicContact CG2-CD2 3.49Å; V94-F151 VanDerWaalsContact CG2-CD2 3.49Å; V94-F151 HydrophobicContact CG2-CE2 3.5Å; V94-F151 VanDerWaalsContact CG2-CE2 3.5Å; V94-F151 HydrophobicContact CG2-CG 4.2Å; V94-F151 HydrophobicContact CG2-CZ 4.2Å; I147-F151 PolarHBondContact O-N 3.15Å; F151-E155 WeakPolarHBondContact CA-OE2 3.42Å; F151-E155 HydrophobicContact CB-CB 4.36Å; F151-E155 HydrophobicContact CD1-CB 3.94Å; F151-L156 HydrophobicContact CB-CD2 3.87Å; F151-L156 HydrophobicContact CG-CD2 4.21Å | ||
| 152 | R | 97.5 | Very high | 96.3 | Very high | 148 Ų | 148 | 70.1 Ų | 70.1 | 56% | 0.558 | 37% | 0.365 | S | S | * | . | trans | -72.2 | 157.5 | 164.6 | -55.6 | -171.3 | -52.7 | -95.3 | -1.2 | 110 | D154 E155 | R152-D154 WeakPolarHBondContact CB-OD1 3.41Å; R152-D154 IonicContact CZ-OD1 3.95Å; R152-D154 IonicContact CZ-OD2 3.87Å; R152-D154 IonicContact NE-OD1 3.68Å; R152-D154 PolarHBondContact NE-OD1 2.81Å; R152-D154 IonicContact NE-OD2 3.75Å; R152-D154 PolarHBondContact NE-OD2 2.84Å; R152-D154 IonicContact NH2-OD1 3.32Å; R152-D154 IonicContact NH2-OD2 2.9Å; R152-D154 PolarHBondContact NH2-OD2 3.19Å; R152-D154 PolarHBondContact O-N 3.35Å; R152-E155 HydrophobicContact CB-CG 4.21Å; R152-E155 PolarHBondContact N-OE2 3.27Å; R152-E155 WeakPolarHBondContact O-CB 3.27Å; R152-E155 PolarHBondContact O-N 2.77Å | ||
| 153 | A | 94.6 | Very high | 96 | Very high | 75 Ų | 75 | 72 Ų | 72 | 62% | 0.62 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.4 | -34.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E155 L156 | A153-E155 VanDerWaalsContact C-N 3.27Å; A153-E155 PolarHBondContact O-N 2.9Å; A153-L156 PolarHBondContact O-N 3.08Å |
| 154 | D | 95.1 | Very high | 95.7 | Very high | 111 Ų | 111 | 72.9 Ų | 72.9 | 59% | 0.594 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -73.2 | -15.4 | 177.2 | 64.4 | -51.6 | 0 | 0 | 0 | 113.7 | R152 L156 | R152-D154 WeakPolarHBondContact CB-OD1 3.41Å; R152-D154 IonicContact CZ-OD1 3.95Å; R152-D154 IonicContact CZ-OD2 3.87Å; R152-D154 IonicContact NE-OD1 3.68Å; R152-D154 PolarHBondContact NE-OD1 2.81Å; R152-D154 IonicContact NE-OD2 3.75Å; R152-D154 PolarHBondContact NE-OD2 2.84Å; R152-D154 IonicContact NH2-OD1 3.32Å; R152-D154 IonicContact NH2-OD2 2.9Å; R152-D154 PolarHBondContact NH2-OD2 3.19Å; R152-D154 PolarHBondContact O-N 3.35Å; D154-L156 VanDerWaalsContact C-N 3.33Å |
| 155 | E | 97.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 74.9 Ų | 74.9 | 23% | 0.229 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -82.9 | -11.2 | 173.5 | -62.8 | -179.7 | 99.7 | 0 | 0 | 112.4 | A54 K56 F151 R152 A153 | A54-E155 WeakPolarHBondContact CB-O 3.35Å; K56-E155 IonicContact NZ-OE1 2.76Å; K56-E155 PolarHBondContact NZ-OE1 3.22Å; K56-E155 IonicContact NZ-OE2 3.31Å; K56-E155 PolarHBondContact NZ-OE2 3.35Å; K56-E155 VanDerWaalsContact NZ-OE2 3.09Å; F151-E155 WeakPolarHBondContact CA-OE2 3.42Å; F151-E155 HydrophobicContact CB-CB 4.36Å; F151-E155 HydrophobicContact CD1-CB 3.94Å; R152-E155 HydrophobicContact CB-CG 4.21Å; R152-E155 PolarHBondContact N-OE2 3.27Å; R152-E155 WeakPolarHBondContact O-CB 3.27Å; R152-E155 PolarHBondContact O-N 2.77Å; A153-E155 VanDerWaalsContact C-N 3.27Å; A153-E155 PolarHBondContact O-N 2.9Å |
| 156 | L | 97.5 | Very high | 95.3 | Very high | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.188 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -93 | 106.9 | 179.5 | -55.6 | -177.5 | 0 | 0 | 0 | 110.3 | A54 V94 I147 F151 A153 D154 | A54-L156 HydrophobicContact CB-CD2 3.75Å; V94-L156 HydrophobicContact CB-CD2 4.33Å; V94-L156 HydrophobicContact CG1-CD2 4.45Å; V94-L156 HydrophobicContact CG2-CD2 3.94Å; I147-L156 HydrophobicContact CG2-CD1 3.89Å; I147-L156 HydrophobicContact CG2-CD2 4.14Å; F151-L156 HydrophobicContact CB-CD2 3.87Å; F151-L156 HydrophobicContact CG-CD2 4.21Å; A153-L156 PolarHBondContact O-N 3.08Å; D154-L156 VanDerWaalsContact C-N 3.33Å |
| 157 | L | 95.2 | Very high | 95.1 | Very high | 108 Ų | 108 | 82.7 Ų | 82.7 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | trans | -81.3 | 130.4 | -176.5 | -61.2 | -174.3 | 0 | 0 | 0 | 112.5 | V53 | V53-L157 PolarHBondContact O-N 2.96Š| ||
| 158 | C | 91.7 | Very high | 94.7 | Very high | 117 Ų | 117 | 85.2 Ų | 85.2 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | trans | -100.8 | 107.9 | 166.1 | -168.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 159 | W | 94 | Very high | 94.1 | Very high | 117 Ų | 117 | 94.1 Ų | 94.1 | 44% | 0.443 | 48% | 0.476 | S | S | . | . | trans | -127 | 167.1 | 178.6 | 57.8 | -82.9 | 0 | 0 | 0 | 110.7 | K51 L52 D161 | K51-W159 HydrophobicContact CD-CZ2 4.11Å; K51-W159 VanDerWaalsContact CE-CD2 3.41Å; K51-W159 VanDerWaalsContact CE-NE1 3.34Å; K51-W159 HydrophobicContact CG-CH2 4.03Å; K51-W159 HydrophobicContact CG-CZ2 3.37Å; K51-W159 PolarHBondContact NZ-O 3.47Å; L52-W159 PolarHBondContact O-NE1 3.23Å; W159-D161 HydrophobicContact CH2-CB 4.41Å; W159-D161 HydrophobicContact CZ3-CB 4.17Å | ||
| 160 | E | 92 | Very high | 93.9 | Very high | 168 Ų | 168 | 97 Ų | 97 | 79% | 0.785 | 49% | 0.489 | S | S | * | . | trans | -88.5 | 122.1 | 175.2 | -176.7 | 178.1 | 175.2 | 0 | 0 | 109.9 | S162 | E160-S162 PolarHBondContact O-N 3.3Š| ||
| 161 | D | 91.4 | Very high | 93.7 | Very high | 39 Ų | 39 | 101.5 Ų | 101.5 | 21% | 0.209 | 51% | 0.513 | C | S | . | . | trans | -85.8 | 104.1 | 174.6 | -175 | -4 | 0 | 0 | 0 | 109.5 | K51 W159 A163 G164 | K51-D161 HydrophobicContact CD-CB 4.14Å; W159-D161 HydrophobicContact CH2-CB 4.41Å; W159-D161 HydrophobicContact CZ3-CB 4.17Å; D161-A163 PolarHBondContact O-N 3.16Å; D161-A163 VanDerWaalsContact O-N 3.14Å; D161-A163 WeakPolarHBondContact OD1-CB 3.43Å; D161-A163 PolarHBondContact OD1-N 3.32Å; D161-G164 PolarHBondContact O-N 3.07Å | ||
| 162 | S | 93.7 | Very high | 93.4 | Very high | 103 Ų | 103 | 106.6 Ų | 106.6 | 72% | 0.72 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.3 | 179.3 | -50.3 | 0 | 0 | 0 | 0 | 113.4 | E160 G164 | E160-S162 PolarHBondContact O-N 3.3Å; S162-G164 VanDerWaalsContact C-N 3.35Å |
| 163 | A | 92.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 104.1 Ų | 104.1 | 34% | 0.339 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D161 H165 W166 L167 | D161-A163 PolarHBondContact O-N 3.16Å; D161-A163 VanDerWaalsContact O-N 3.14Å; D161-A163 WeakPolarHBondContact OD1-CB 3.43Å; D161-A163 PolarHBondContact OD1-N 3.32Å; A163-H165 PolarHBondContact O-N 2.95Å; A163-W166 WeakPolarHBondContact O-CA 3.47Å; A163-W166 WeakPolarHBondContact O-CB 3.48Å; A163-W166 PolarHBondContact O-N 3.25Å; A163-L167 HydrophobicContact CB-CD1 4.04Å; A163-L167 HydrophobicContact CB-CG 4.47Å; A163-L167 WeakPolarHBondContact O-CG 3.47Å; A163-L167 PolarHBondContact O-N 2.8Å |
| 164 | G | 90.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 105.9 Ų | 105.9 | 18% | 0.175 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -54.6 | -44.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D161 S162 W166 L167 Y168 | D161-G164 PolarHBondContact O-N 3.07Å; S162-G164 VanDerWaalsContact C-N 3.35Å; G164-W166 PolarHBondContact O-N 2.99Å; G164-L167 PolarHBondContact O-N 3.32Å; G164-L167 VanDerWaalsContact O-N 3.09Å; G164-Y168 WeakPolarHBondContact O-CD2 3.44Å; G164-Y168 PolarHBondContact O-N 3.21Å |
| 165 | H | 92.5 | Very high | 92.9 | Very high | 157 Ų | 157 | 105.6 Ų | 105.6 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.8 | -19.8 | 176.7 | 179.3 | 55.8 | 0 | 0 | 0 | 113.9 | A163 | A163-H165 PolarHBondContact O-N 2.95Å |
| 166 | W | 94.9 | Very high | 92.6 | Very high | 216 Ų | 216 | 109.6 Ų | 109.6 | 82% | 0.818 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -93.1 | -8.2 | 177 | -58.8 | 100.1 | 0 | 0 | 0 | 113.1 | A163 G164 | A163-W166 WeakPolarHBondContact O-CA 3.47Å; A163-W166 WeakPolarHBondContact O-CB 3.48Å; A163-W166 PolarHBondContact O-N 3.25Å; G164-W166 PolarHBondContact O-N 2.99Å |
| 167 | L | 93.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 115.3 Ų | 115.3 | 43% | 0.429 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -113.3 | -30.5 | -174.7 | -67.8 | 173.8 | 0 | 0 | 0 | 113.4 | A163 G164 | A163-L167 HydrophobicContact CB-CD1 4.04Å; A163-L167 HydrophobicContact CB-CG 4.47Å; A163-L167 WeakPolarHBondContact O-CG 3.47Å; A163-L167 PolarHBondContact O-N 2.8Å; G164-L167 PolarHBondContact O-N 3.32Å; G164-L167 VanDerWaalsContact O-N 3.09Å |
| 168 | Y | 90.5 | Very high | 92 | Very high | 68 Ų | 68 | 115.9 Ų | 115.9 | 27% | 0.267 | 58% | 0.579 | S | S | . | * | trans | -120 | 147 | -177 | -55.8 | -76.7 | 0 | 0 | 0 | 110.1 | A20 G97 L98 G164 | A20-Y168 HydrophobicContact CB-CD1 3.88Å; A20-Y168 HydrophobicContact CB-CE1 3.77Å; A20-Y168 HydrophobicContact CB-CE2 4.46Å; A20-Y168 HydrophobicContact CB-CG 4.27Å; G97-Y168 WeakPolarHBondContact CA-OH 3.3Å; L98-Y168 HydrophobicContact CB-CD1 4.44Å; L98-Y168 HydrophobicContact CB-CE1 3.89Å; G164-Y168 WeakPolarHBondContact O-CD2 3.44Å; G164-Y168 PolarHBondContact O-N 3.21Å | ||
| 169 | E | 85.8 | Confident | 92 | Very high | 266 Ų | 266 | 115.8 Ų | 115.8 | 100% | 1.243 | 56% | 0.56 | S | S | * | * | trans | -73.3 | 0 | 171.6 | -66 | -177.2 | 175.3 | 0 | 0 | 112.2 |
Retrieved 169 of 169 residues in 83.2 ms
(Link to these results)