| 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 | K | 36.4 | Very low | 43.5 | Very low | 260 Ų | 260 | 166.2 Ų | 166.2 | 100% | 1.13 | 79% | 0.788 | S | S | * | * | 0 | 87.1 | 0 | -75.6 | -176.4 | 175 | -175.8 | 0 | 106.2 | |||||
| 2 | E | 37.4 | Very low | 45 | Very low | 194 Ų | 194 | 166.9 Ų | 166.9 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | -83.8 | 135.9 | -175.9 | -76.1 | 177.5 | 141.3 | 0 | 0 | 110.2 | M4 | E2-M4 PolarHBondContact O-N 3.35Š| ||
| 3 | N | 39.7 | Very low | 46.7 | Very low | 153 Ų | 153 | 159.2 Ų | 159.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -66.6 | 105.6 | -175.7 | -63.8 | -55.9 | 0 | 0 | 0 | 111.2 | Y5 | N3-Y5 VanDerWaalsContact C-N 3.31Å; N3-Y5 PolarHBondContact O-N 3.11Å | ||
| 4 | M | 43.6 | Very low | 49.3 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -90 | 66.8 | 159.9 | -84.6 | -153.9 | -75.6 | 0 | 0 | 110.1 | E2 R6 | E2-M4 PolarHBondContact O-N 3.35Å; M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 2.92Å | ||
| 5 | Y | 38.1 | Very low | 51.8 | Low | 211 Ų | 211 | 148.9 Ų | 148.9 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | -79.3 | 92.7 | 156.1 | -102.1 | -96.8 | 0 | 0 | 0 | 107.2 | N3 E7 | N3-Y5 VanDerWaalsContact C-N 3.31Å; N3-Y5 PolarHBondContact O-N 3.11Å; Y5-E7 PolarHBondContact O-N 3.42Å | ||
| 6 | R | 43.3 | Very low | 54.1 | Low | 228 Ų | 228 | 143.2 Ų | 143.2 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -66.9 | 92.8 | 160.3 | -84.8 | 179.6 | 158.6 | 166 | -4.4 | 106.4 | M4 G8 | M4-R6 VanDerWaalsContact C-N 3.34Å; M4-R6 PolarHBondContact O-N 2.92Å; R6-G8 PolarHBondContact O-N 3.07Å | ||
| 7 | E | 39.6 | Very low | 55.9 | Low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | trans | -57.5 | 96.7 | 161.2 | -73.3 | -174.3 | 160.8 | 0 | 0 | 107.3 | Y5 K9 | Y5-E7 PolarHBondContact O-N 3.42Å; E7-K9 PolarHBondContact O-N 3.28Å | ||
| 8 | G | 42.2 | Very low | 57.6 | Low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 67% | 0.674 | S | S | * | * | trans | -64.5 | 91.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | R6 I10 | R6-G8 PolarHBondContact O-N 3.07Å; G8-I10 WeakPolarHBondContact O-CG1 3.46Å; G8-I10 PolarHBondContact O-N 3.38Å | ||
| 9 | K | 45.8 | Very low | 59.4 | Low | 173 Ų | 173 | 131.4 Ų | 131.4 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | trans | -53.5 | 108.1 | 163.9 | -83.1 | -176.6 | 177.9 | 175 | 0 | 106.2 | E7 V11 | E7-K9 PolarHBondContact O-N 3.28Å; K9-V11 HydrophobicContact CB-CG2 4.32Å; K9-V11 PolarHBondContact O-N 3.48Å | ||
| 10 | I | 53 | Low | 60.9 | Low | 158 Ų | 158 | 128.8 Ų | 128.8 | 81% | 0.81 | 66% | 0.655 | S | S | * | * | trans | -73 | 79.3 | 175.4 | -41.4 | 173.5 | 0 | 0 | 0 | 105.2 | G8 Q12 | G8-I10 WeakPolarHBondContact O-CG1 3.46Å; G8-I10 PolarHBondContact O-N 3.38Å; I10-Q12 PolarHBondContact O-N 2.9Å; I10-Q12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | V | 59.1 | Low | 62.4 | Low | 48 Ų | 48 | 123.4 Ų | 123.4 | 29% | 0.291 | 63% | 0.628 | S | S | . | * | trans | -68.7 | 113.3 | 170.6 | -179.4 | 0 | 0 | 0 | 0 | 105.2 | K9 V13 Y43 M80 | K9-V11 HydrophobicContact CB-CG2 4.32Å; K9-V11 PolarHBondContact O-N 3.48Å; V11-V13 PolarHBondContact O-N 2.8Å; V11-Y43 HydrophobicContact CB-CD2 4.42Å; V11-Y43 HydrophobicContact CG1-CD2 3.24Å; V11-Y43 HydrophobicContact CG1-CE2 3.8Å; V11-Y43 HydrophobicContact CG1-CG 3.68Å; V11-M80 HydrophobicContact CB-CE 4.42Å; V11-M80 HydrophobicContact CG1-CE 3.59Å; V11-M80 HydrophobicContact CG1-SD 4.12Å; V11-M80 HydrophobicContact CG2-CE 4.05Å | ||
| 12 | Q | 61.4 | Low | 65 | Low | 175 Ų | 175 | 114.8 Ų | 114.8 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -64.2 | 105.2 | 174.2 | -69.9 | -147.5 | 11.8 | 0 | 0 | 107.8 | I10 | I10-Q12 PolarHBondContact O-N 2.9Å; I10-Q12 VanDerWaalsContact O-N 3.16Å | ||
| 13 | V | 67.7 | Low | 67.7 | Low | 66 Ų | 66 | 108.9 Ų | 108.9 | 40% | 0.4 | 57% | 0.568 | S | S | . | * | trans | -79.5 | 129.5 | 173.1 | -172.7 | 0 | 0 | 0 | 0 | 106.9 | V11 D17 Y43 | V11-V13 PolarHBondContact O-N 2.8Å; V13-D17 HydrophobicContact CG1-CB 3.87Å; V13-Y43 HydrophobicContact CB-CE2 4.44Å; V13-Y43 HydrophobicContact CG1-CE2 4.35Å; V13-Y43 HydrophobicContact CG2-CE2 4.16Å | ||
| 14 | T | 82.5 | Confident | 70.1 | Confident | 80 Ų | 80 | 107.2 Ų | 107.2 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | trans | -64.1 | 140 | 173.8 | -46.5 | 0 | 0 | 0 | 0 | 109 | A16 D17 A18 Y43 | T14-A16 HydrophobicContact CG2-CB 4.08Å; T14-A16 PolarHBondContact O-N 3.38Å; T14-A16 VanDerWaalsContact O-N 3.13Å; T14-D17 VanDerWaalsContact CB-OD2 3.29Å; T14-D17 WeakPolarHBondContact CB-OD2 3.34Å; T14-D17 WeakPolarHBondContact O-CB 3.34Å; T14-D17 PolarHBondContact O-N 2.99Å; T14-D17 PolarHBondContact OG1-OD2 3.23Å; T14-A18 PolarHBondContact O-N 3.34Å; T14-A18 VanDerWaalsContact O-N 3.12Å; T14-Y43 PolarHBondContact N-OH 3.06Å | ||
| 15 | A | 87.5 | Confident | 72.5 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -55.3 | -32.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A18 F19 | A15-A18 PolarHBondContact O-N 3.4Å; A15-F19 PolarHBondContact O-N 2.84Å; A15-F19 VanDerWaalsContact O-N 3.08Å |
| 16 | A | 87.8 | Confident | 75.2 | Confident | 57 Ų | 57 | 92.8 Ų | 92.8 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T14 F19 L20 | T14-A16 HydrophobicContact CG2-CB 4.08Å; T14-A16 PolarHBondContact O-N 3.38Å; T14-A16 VanDerWaalsContact O-N 3.13Å; A16-F19 PolarHBondContact O-N 3.09Å; A16-L20 VanDerWaalsContact O-CG 3.31Å; A16-L20 WeakPolarHBondContact O-CG 3.47Å; A16-L20 PolarHBondContact O-N 3.39Å |
| 17 | D | 85.4 | Confident | 77.7 | Confident | 28 Ų | 28 | 88.5 Ų | 88.5 | 15% | 0.15 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 178.5 | -65.1 | -35.8 | 0 | 0 | 0 | 110.8 | V13 T14 F19 L20 D21 Y43 | V13-D17 HydrophobicContact CG1-CB 3.87Å; T14-D17 VanDerWaalsContact CB-OD2 3.29Å; T14-D17 WeakPolarHBondContact CB-OD2 3.34Å; T14-D17 WeakPolarHBondContact O-CB 3.34Å; T14-D17 PolarHBondContact O-N 2.99Å; T14-D17 PolarHBondContact OG1-OD2 3.23Å; D17-F19 VanDerWaalsContact C-N 3.34Å; D17-F19 PolarHBondContact O-N 3.36Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-D21 WeakPolarHBondContact O-CB 3.4Å; D17-D21 VanDerWaalsContact O-CG 3.29Å; D17-D21 PolarHBondContact O-N 3.33Å; D17-Y43 PolarHBondContact OD2-OH 3.26Å |
| 18 | A | 87.1 | Confident | 80.2 | Confident | 53 Ų | 53 | 81.6 Ų | 81.6 | 44% | 0.438 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T14 A15 D21 L22 | T14-A18 PolarHBondContact O-N 3.34Å; T14-A18 VanDerWaalsContact O-N 3.12Å; A15-A18 PolarHBondContact O-N 3.4Å; A18-D21 PolarHBondContact O-N 3.38Å; A18-L22 PolarHBondContact O-N 3.28Å |
| 19 | F | 90.9 | Very high | 82.5 | Confident | 125 Ų | 125 | 85 Ų | 85 | 55% | 0.548 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 175.4 | -178.8 | -101.8 | 0 | 0 | 0 | 112.5 | A15 A16 D17 L22 I23 | A15-F19 PolarHBondContact O-N 2.84Å; A15-F19 VanDerWaalsContact O-N 3.08Å; A16-F19 PolarHBondContact O-N 3.09Å; D17-F19 VanDerWaalsContact C-N 3.34Å; D17-F19 PolarHBondContact O-N 3.36Å; F19-L22 WeakPolarHBondContact O-CB 3.41Å; F19-L22 PolarHBondContact O-N 3.05Å; F19-I23 HydrophobicContact CD1-CD1 3.92Å; F19-I23 HydrophobicContact CE1-CD1 3.33Å; F19-I23 HydrophobicContact CE1-CG1 4.31Å; F19-I23 HydrophobicContact CZ-CD1 3.71Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 PolarHBondContact O-N 3.15Å; F19-I23 VanDerWaalsContact O-N 3.1Å |
| 20 | L | 90.6 | Very high | 84.7 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 41% | 0.414 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 175.1 | -69 | 175.7 | 0 | 0 | 0 | 111.7 | A16 D17 L22 I23 R24 | A16-L20 VanDerWaalsContact O-CG 3.31Å; A16-L20 WeakPolarHBondContact O-CG 3.47Å; A16-L20 PolarHBondContact O-N 3.39Å; D17-L20 PolarHBondContact O-N 2.9Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.36Å; L20-I23 PolarHBondContact O-N 3.3Å; L20-R24 WeakPolarHBondContact O-CB 3.33Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.15Å; L20-R24 PolarHBondContact O-N 3.48Å |
| 21 | D | 90.8 | Very high | 86.7 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 9% | 0.086 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 172.8 | -77.3 | -0 | 0 | 0 | 0 | 111.3 | D17 A18 R24 N25 F39 T41 | D17-D21 WeakPolarHBondContact O-CB 3.4Å; D17-D21 VanDerWaalsContact O-CG 3.29Å; D17-D21 PolarHBondContact O-N 3.33Å; A18-D21 PolarHBondContact O-N 3.38Å; D21-R24 PolarHBondContact O-N 3.2Å; D21-N25 WeakPolarHBondContact O-CB 3.35Å; D21-N25 PolarHBondContact O-N 3.39Å; D21-N25 PolarHBondContact O-ND2 3.16Å; D21-F39 HydrophobicContact CB-CD1 4.49Å; D21-F39 WeakPolarHBondContact OD1-CD1 3.18Å; D21-F39 WeakPolarHBondContact OD1-CE1 3.45Å; D21-T41 PolarHBondContact OD1-N 2.87Å; D21-T41 PolarHBondContact OD1-OG1 2.98Å; D21-T41 PolarHBondContact OD2-N 3.18Å; D21-T41 PolarHBondContact OD2-OG1 2.97Å |
| 22 | L | 91.9 | Very high | 88.4 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 41% | 0.414 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.5 | -51.6 | 173.9 | -177.5 | 72.6 | 0 | 0 | 0 | 111.3 | A18 F19 L20 R24 N25 M26 L93 | A18-L22 PolarHBondContact O-N 3.28Å; F19-L22 WeakPolarHBondContact O-CB 3.41Å; F19-L22 PolarHBondContact O-N 3.05Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.36Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.02Å; L22-N25 CarbonylContact O-C 3.58Å; L22-N25 PolarHBondContact O-N 3.12Å; L22-N25 VanDerWaalsContact O-N 3.14Å; L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 3.4Å; L22-L93 HydrophobicContact CD1-CD1 3.45Å; L22-L93 VanDerWaalsContact CD1-CD1 3.45Å |
| 23 | I | 93 | Very high | 90 | Very high | 70 Ų | 70 | 74.3 Ų | 74.3 | 36% | 0.359 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 179.3 | -68 | 173 | 0 | 0 | 0 | 110.9 | F19 L20 N25 M26 F27 | F19-I23 HydrophobicContact CD1-CD1 3.92Å; F19-I23 HydrophobicContact CE1-CD1 3.33Å; F19-I23 HydrophobicContact CE1-CG1 4.31Å; F19-I23 HydrophobicContact CZ-CD1 3.71Å; F19-I23 HydrophobicContact CZ-CG1 4.4Å; F19-I23 PolarHBondContact O-N 3.15Å; F19-I23 VanDerWaalsContact O-N 3.1Å; L20-I23 PolarHBondContact O-N 3.3Å; I23-N25 PolarHBondContact O-N 3.13Å; I23-M26 WeakPolarHBondContact O-CB 3.45Å; I23-M26 PolarHBondContact O-N 2.86Å; I23-F27 PolarHBondContact O-N 3.36Å |
| 24 | R | 90.1 | Very high | 91.3 | Very high | 118 Ų | 118 | 71.3 Ų | 71.3 | 45% | 0.445 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 176.6 | -74.6 | 175.6 | -179 | 168.5 | 2.4 | 111.9 | L20 D21 L22 F27 F39 | L20-R24 WeakPolarHBondContact O-CB 3.33Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.15Å; L20-R24 PolarHBondContact O-N 3.48Å; D21-R24 PolarHBondContact O-N 3.2Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.02Å; R24-F27 CarbonylContact O-C 3.14Å; R24-F39 HydrophobicContact CB-CD1 4.02Å; R24-F39 HydrophobicContact CB-CG 4.22Å |
| 25 | N | 93.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 69.9 Ų | 69.9 | 10% | 0.096 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.8 | -27.2 | 174.1 | -77.2 | -53.2 | 0 | 0 | 0 | 113 | D21 L22 I23 F27 F39 N91 L93 G94 | D21-N25 WeakPolarHBondContact O-CB 3.35Å; D21-N25 PolarHBondContact O-N 3.39Å; D21-N25 PolarHBondContact O-ND2 3.16Å; L22-N25 CarbonylContact O-C 3.58Å; L22-N25 PolarHBondContact O-N 3.12Å; L22-N25 VanDerWaalsContact O-N 3.14Å; I23-N25 PolarHBondContact O-N 3.13Å; N25-F27 VanDerWaalsContact C-N 3.29Å; N25-F27 PolarHBondContact O-N 3.41Å; N25-F39 PolarHBondContact ND2-O 2.86Å; N25-F39 WeakPolarHBondContact OD1-CB 3.35Å; N25-F39 PolarHBondContact OD1-N 3.35Å; N25-N91 PolarHBondContact O-ND2 2.89Å; N25-N91 PolarHBondContact O-OD1 3.36Å; N25-N91 PolarHBondContact OD1-ND2 3.17Å; N25-L93 HydrophobicContact CB-CD2 4.42Å; N25-G94 WeakPolarHBondContact O-CA 3.31Å; N25-G94 PolarHBondContact O-N 3.1Å |
| 26 | M | 95.9 | Very high | 92.3 | Very high | 63 Ų | 63 | 73.2 Ų | 73.2 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -33.5 | 173.1 | -69 | -179.4 | 69.2 | 0 | 0 | 113.2 | L22 I23 P28 L93 V97 | L22-M26 WeakPolarHBondContact O-CG 3.44Å; L22-M26 PolarHBondContact O-N 3.4Å; I23-M26 WeakPolarHBondContact O-CB 3.45Å; I23-M26 PolarHBondContact O-N 2.86Å; M26-P28 WeakPolarHBondContact O-CD 3.44Å; M26-L93 HydrophobicContact CB-CD2 3.85Å; M26-L93 HydrophobicContact CG-CD2 3.26Å; M26-L93 HydrophobicContact CG-CG 4.43Å; M26-V97 HydrophobicContact CB-CG2 4.37Å; M26-V97 HydrophobicContact CE-CG2 4.12Å; M26-V97 HydrophobicContact CG-CG2 4.4Å |
| 27 | F | 94.9 | Very high | 92.6 | Very high | 139 Ų | 139 | 74.6 Ų | 74.6 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -123.2 | 73.7 | -177.7 | -58.4 | -77.9 | 0 | 0 | 0 | 110 | I23 R24 N25 V97 | I23-F27 PolarHBondContact O-N 3.36Å; R24-F27 CarbonylContact O-C 3.14Å; N25-F27 VanDerWaalsContact C-N 3.29Å; N25-F27 PolarHBondContact O-N 3.41Å; F27-V97 HydrophobicContact CE1-CG1 4.28Å |
| 28 | P | 91.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 76.9 Ų | 76.9 | 15% | 0.149 | 39% | 0.394 | C | S | . | . | trans | -63.8 | 137.6 | -177.7 | 26.2 | -33.1 | 0 | 0 | 0 | 110.3 | M26 N30 L31 A34 | M26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-N30 PolarHBondContact O-N 3.41Å; P28-L31 HydrophobicContact CG-CD2 4.17Å; P28-A34 HydrophobicContact CB-CB 3.93Å; P28-A34 HydrophobicContact CG-CB 4.15Å | ||
| 29 | P | 90.5 | Very high | 93 | Very high | 133 Ų | 133 | 76.9 Ų | 76.9 | 86% | 0.864 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -67.9 | -19.4 | 179.1 | 28.4 | -35.5 | 0 | 0 | 0 | 112.6 | ||
| 30 | N | 94 | Very high | 92.8 | Very high | 76 Ų | 76 | 76.3 Ų | 76.3 | 41% | 0.406 | 38% | 0.382 | S | S | . | . | trans | -146.2 | 126.1 | 179 | -174.3 | -52.7 | 0 | 0 | 0 | 110.6 | P28 V32 E33 A34 | P28-N30 PolarHBondContact O-N 3.41Å; N30-V32 WeakPolarHBondContact OD1-CA 3.34Å; N30-V32 WeakPolarHBondContact OD1-CB 3.49Å; N30-V32 PolarHBondContact OD1-N 3.08Å; N30-E33 HydrophobicContact CB-CB 3.9Å; N30-E33 PolarHBondContact OD1-N 3.27Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.85Å | ||
| 31 | L | 94.1 | Very high | 92.6 | Very high | 62 Ų | 62 | 73 Ų | 73 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.6 | -35.4 | -178.4 | -64.5 | 172.3 | 0 | 0 | 0 | 113.2 | P28 A34 C35 F98 | P28-L31 HydrophobicContact CG-CD2 4.17Å; L31-A34 WeakPolarHBondContact O-CB 3.34Å; L31-A34 PolarHBondContact O-N 3.33Å; L31-C35 PolarHBondContact O-N 3.34Å; L31-C35 PolarHBondContact O-SG 3.18Å; L31-C35 VanDerWaalsContact O-SG 3.4Å; L31-F98 HydrophobicContact CD1-CD1 3.89Å; L31-F98 HydrophobicContact CD1-CD2 3.85Å; L31-F98 HydrophobicContact CD1-CE1 3.56Å; L31-F98 HydrophobicContact CD1-CE2 3.52Å; L31-F98 HydrophobicContact CD1-CG 4.03Å; L31-F98 HydrophobicContact CD1-CZ 3.36Å; L31-F98 HydrophobicContact CD2-CB 3.89Å; L31-F98 HydrophobicContact CD2-CD1 3.86Å; L31-F98 HydrophobicContact CD2-CD2 3.84Å; L31-F98 HydrophobicContact CD2-CE1 4.4Å; L31-F98 HydrophobicContact CD2-CE2 4.39Å; L31-F98 HydrophobicContact CD2-CG 3.55Å; L31-F98 HydrophobicContact CG-CD2 4.44Å; L31-F98 HydrophobicContact CG-CG 4.45Å |
| 32 | V | 95.4 | Very high | 92.1 | Very high | 109 Ų | 109 | 75 Ų | 75 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.2 | -41.3 | 178 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | N30 A34 C35 | N30-V32 WeakPolarHBondContact OD1-CA 3.34Å; N30-V32 WeakPolarHBondContact OD1-CB 3.49Å; N30-V32 PolarHBondContact OD1-N 3.08Å; V32-A34 VanDerWaalsContact C-N 3.35Å; V32-C35 WeakPolarHBondContact O-CB 3.45Å; V32-C35 PolarHBondContact O-N 3.06Å |
| 33 | E | 93.8 | Very high | 91.5 | Very high | 82 Ų | 82 | 72.9 Ų | 72.9 | 38% | 0.383 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 174.8 | -171.4 | 164.4 | -148.9 | 0 | 0 | 111.5 | N30 C35 F36 K37 | N30-E33 HydrophobicContact CB-CB 3.9Å; N30-E33 PolarHBondContact OD1-N 3.27Å; E33-C35 PolarHBondContact O-N 3.01Å; E33-C35 VanDerWaalsContact O-N 3.14Å; E33-F36 PolarHBondContact O-N 2.92Å; E33-K37 HydrophobicContact CG-CB 3.93Å; E33-K37 HydrophobicContact CG-CD 3.82Å; E33-K37 HydrophobicContact CG-CG 4.26Å; E33-K37 PolarHBondContact O-N 3.13Å; E33-K37 VanDerWaalsContact OE1-CD 3.29Å; E33-K37 WeakPolarHBondContact OE1-CD 3.13Å; E33-K37 IonicContact OE1-NZ 3.11Å; E33-K37 PolarHBondContact OE1-NZ 3.01Å |
| 34 | A | 95.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 74.5 Ų | 74.5 | 3% | 0.025 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.9 | -24.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | P28 N30 L31 V32 F36 K37 N91 L95 | P28-A34 HydrophobicContact CB-CB 3.93Å; P28-A34 HydrophobicContact CG-CB 4.15Å; N30-A34 WeakPolarHBondContact O-CB 3.28Å; N30-A34 PolarHBondContact O-N 2.85Å; L31-A34 WeakPolarHBondContact O-CB 3.34Å; L31-A34 PolarHBondContact O-N 3.33Å; V32-A34 VanDerWaalsContact C-N 3.35Å; A34-F36 PolarHBondContact O-N 3.49Å; A34-K37 WeakPolarHBondContact CA-O 3.48Å; A34-N91 HydrophobicContact CB-CB 4.15Å; A34-N91 PolarHBondContact O-N 2.93Å; A34-L95 HydrophobicContact CB-CD2 4.14Å; A34-L95 HydrophobicContact CB-CG 4.42Å |
| 35 | C | 95.6 | Very high | 89.8 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 33% | 0.331 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -19.6 | 174.7 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | L31 V32 E33 V90 | L31-C35 PolarHBondContact O-N 3.34Å; L31-C35 PolarHBondContact O-SG 3.18Å; L31-C35 VanDerWaalsContact O-SG 3.4Å; V32-C35 WeakPolarHBondContact O-CB 3.45Å; V32-C35 PolarHBondContact O-N 3.06Å; E33-C35 PolarHBondContact O-N 3.01Å; E33-C35 VanDerWaalsContact O-N 3.14Å; C35-V90 WeakPolarHBondContact O-CG2 3.41Å |
| 36 | F | 95.6 | Very high | 88.5 | Confident | 156 Ų | 156 | 81 Ų | 81 | 68% | 0.684 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.1 | -11.1 | -175.1 | -55.9 | -76 | 0 | 0 | 0 | 114.2 | E33 A34 G89 | E33-F36 PolarHBondContact O-N 2.92Å; A34-F36 PolarHBondContact O-N 3.49Å; F36-G89 CarbonylContact C-O 3.12Å; F36-G89 PolarHBondContact O-N 3.31Å |
| 37 | K | 93.6 | Very high | 86.8 | Confident | 85 Ų | 85 | 82.1 Ų | 82.1 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.3 | -177.5 | -68.8 | -171 | -159.4 | 165.8 | 0 | 112.3 | E33 A34 S86 V87 G89 | E33-K37 HydrophobicContact CG-CB 3.93Å; E33-K37 HydrophobicContact CG-CD 3.82Å; E33-K37 HydrophobicContact CG-CG 4.26Å; E33-K37 PolarHBondContact O-N 3.13Å; E33-K37 VanDerWaalsContact OE1-CD 3.29Å; E33-K37 WeakPolarHBondContact OE1-CD 3.13Å; E33-K37 IonicContact OE1-NZ 3.11Å; E33-K37 PolarHBondContact OE1-NZ 3.01Å; A34-K37 WeakPolarHBondContact CA-O 3.48Å; K37-S86 WeakPolarHBondContact CB-OG 3.37Å; K37-S86 WeakPolarHBondContact CD-OG 3.42Å; K37-V87 WeakPolarHBondContact CA-O 3.42Å; K37-G89 CarbonylContact C-O 2.98Å; K37-G89 WeakPolarHBondContact CA-O 3.31Å; K37-G89 PolarHBondContact N-O 2.94Å |
| 38 | Q | 91.8 | Very high | 85.3 | Confident | 76 Ų | 76 | 79.9 Ų | 79.9 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 151.3 | 172.2 | 63.2 | -177.8 | -18.5 | 0 | 0 | 111 | S86 V87 G89 N91 | Q38-S86 VanDerWaalsContact O-CA 3.29Å; Q38-S86 WeakPolarHBondContact O-CA 3.26Å; Q38-S86 PolarHBondContact O-OG 3.26Å; Q38-V87 HydrophobicContact CG-CG2 3.26Å; Q38-V87 PolarHBondContact N-O 3.18Å; Q38-V87 VanDerWaalsContact NE2-CG2 3.31Å; Q38-V87 PolarHBondContact O-N 3.37Å; Q38-G89 PolarHBondContact N-O 3.36Å; Q38-N91 HydrophobicContact CB-CB 3.98Å |
| 39 | F | 88.9 | Confident | 83.7 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 24% | 0.237 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.3 | 178.2 | -170.7 | -86 | 0 | 0 | 0 | 110.1 | D21 R24 N25 P84 | D21-F39 HydrophobicContact CB-CD1 4.49Å; D21-F39 WeakPolarHBondContact OD1-CD1 3.18Å; D21-F39 WeakPolarHBondContact OD1-CE1 3.45Å; R24-F39 HydrophobicContact CB-CD1 4.02Å; R24-F39 HydrophobicContact CB-CG 4.22Å; N25-F39 PolarHBondContact ND2-O 2.86Å; N25-F39 WeakPolarHBondContact OD1-CB 3.35Å; N25-F39 PolarHBondContact OD1-N 3.35Å; F39-P84 HydrophobicContact CE2-CB 3.66Å; F39-P84 HydrophobicContact CZ-CB 3.66Å |
| 40 | K | 87.1 | Confident | 82.3 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 125.8 | 173.6 | -174.6 | 175.7 | -177.3 | 174.4 | 0 | 109.2 | S42 G85 V87 | K40-S42 PolarHBondContact O-N 3.15Å; K40-G85 PolarHBondContact N-O 2.94Å; K40-G85 CarbonylContact O-C 3.47Å; K40-G85 WeakPolarHBondContact O-CA 3.42Å; K40-G85 PolarHBondContact O-N 3.02Å; K40-G85 VanDerWaalsContact O-N 3.12Å; K40-V87 HydrophobicContact CB-CG1 4.08Å; K40-V87 HydrophobicContact CB-CG2 4.3Å; K40-V87 HydrophobicContact CD-CG1 3.89Å |
| 41 | T | 86 | Confident | 80.5 | Confident | 8 Ų | 8 | 84.6 Ų | 84.6 | 5% | 0.049 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.3 | 173.4 | -66.6 | 0 | 0 | 0 | 0 | 109.3 | D21 Y43 P82 | D21-T41 PolarHBondContact OD1-N 2.87Å; D21-T41 PolarHBondContact OD1-OG1 2.98Å; D21-T41 PolarHBondContact OD2-N 3.18Å; D21-T41 PolarHBondContact OD2-OG1 2.97Å; T41-Y43 HydrophobicContact CG2-CE2 4.38Å; T41-P82 HydrophobicContact CG2-CB 3.45Å; T41-P82 VanDerWaalsContact CG2-CB 3.45Å |
| 42 | S | 81.3 | Confident | 78.9 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 153.7 | 171.6 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | K40 V83 | K40-S42 PolarHBondContact O-N 3.15Å; S42-V83 PolarHBondContact N-O 2.92Å; S42-V83 VanDerWaalsContact O-CG2 3.27Å; S42-V83 WeakPolarHBondContact O-CG2 3.42Å; S42-V83 PolarHBondContact O-N 3.43Å; S42-V83 VanDerWaalsContact O-O 3.13Å |
| 43 | Y | 78.8 | Confident | 76.9 | Confident | 34 Ų | 34 | 88.4 Ų | 88.4 | 13% | 0.133 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117.7 | 177.2 | -68 | -95.8 | 0 | 0 | 0 | 109.1 | V11 V13 T14 D17 T41 M80 P82 | V11-Y43 HydrophobicContact CB-CD2 4.42Å; V11-Y43 HydrophobicContact CG1-CD2 3.24Å; V11-Y43 HydrophobicContact CG1-CE2 3.8Å; V11-Y43 HydrophobicContact CG1-CG 3.68Å; V13-Y43 HydrophobicContact CB-CE2 4.44Å; V13-Y43 HydrophobicContact CG1-CE2 4.35Å; V13-Y43 HydrophobicContact CG2-CE2 4.16Å; T14-Y43 PolarHBondContact N-OH 3.06Å; D17-Y43 PolarHBondContact OD2-OH 3.26Å; T41-Y43 HydrophobicContact CG2-CE2 4.38Å; Y43-M80 HydrophobicContact CD1-CG 3.81Å; Y43-M80 HydrophobicContact CD1-SD 4.07Å; Y43-M80 HydrophobicContact CG-CE 4.34Å; Y43-M80 HydrophobicContact CG-CG 4.08Å; Y43-M80 HydrophobicContact CG-SD 4.12Å; Y43-P82 HydrophobicContact CD1-CB 4.25Å; Y43-P82 HydrophobicContact CE1-CB 3.97Å |
| 44 | E | 74.3 | Confident | 75 | Confident | 104 Ų | 104 | 87.7 Ų | 87.7 | 49% | 0.486 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.1 | 175.9 | -74.5 | -178.6 | -179.7 | 0 | 0 | 109.8 | R46 V81 V83 | E44-R46 PolarHBondContact O-N 3.23Å; E44-V81 PolarHBondContact N-O 3.09Å; E44-V81 PolarHBondContact O-N 3.49Å; E44-V81 VanDerWaalsContact O-N 3.12Å; E44-V83 HydrophobicContact CB-CG1 4.36Å; E44-V83 HydrophobicContact CB-CG2 4.17Å; E44-V83 HydrophobicContact CG-CG2 3.71Å |
| 45 | K | 73.3 | Confident | 73.3 | Confident | 142 Ų | 142 | 93 Ų | 93 | 62% | 0.617 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 108.3 | 170.2 | -69.1 | -174.5 | 167.3 | -153.7 | 0 | 107.9 | E78 | K45-E78 IonicContact NZ-OE2 2.8Å; K45-E78 PolarHBondContact NZ-OE2 2.94Å |
| 46 | R | 65.9 | Low | 71.5 | Confident | 132 Ų | 132 | 99 Ų | 99 | 50% | 0.498 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.9 | 167.9 | -73.8 | -163.8 | -175.5 | -175.4 | 0.6 | 109.3 | E44 F48 E79 V81 | E44-R46 PolarHBondContact O-N 3.23Å; R46-F48 HydrophobicContact CB-CD2 4.28Å; R46-F48 HydrophobicContact CB-CE2 3.6Å; R46-F48 HydrophobicContact CB-CZ 3.87Å; R46-E79 PolarHBondContact N-O 3.29Å; R46-E79 VanDerWaalsContact N-O 3.08Å; R46-E79 PolarHBondContact O-N 3.36Å; R46-E79 VanDerWaalsContact O-N 3.15Å; R46-V81 HydrophobicContact CB-CG2 3.98Å; R46-V81 HydrophobicContact CG-CG2 3.68Å |
| 47 | S | 60.3 | Low | 69.8 | Low | 85 Ų | 85 | 97.9 Ų | 97.9 | 59% | 0.594 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 108.3 | 172.9 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 48 | F | 63.8 | Low | 68 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.5 | 170.7 | -61.9 | -81.5 | 0 | 0 | 0 | 109.4 | R46 V50 R77 E79 V81 | R46-F48 HydrophobicContact CB-CD2 4.28Å; R46-F48 HydrophobicContact CB-CE2 3.6Å; R46-F48 HydrophobicContact CB-CZ 3.87Å; F48-V50 PolarHBondContact O-N 3.36Å; F48-R77 PolarHBondContact N-O 3.38Å; F48-R77 VanDerWaalsContact N-O 3.16Å; F48-R77 PolarHBondContact O-N 3.09Å; F48-R77 VanDerWaalsContact O-N 3.08Å; F48-E79 HydrophobicContact CD2-CB 4.46Å; F48-V81 HydrophobicContact CE2-CG1 4.31Å |
| 49 | K | 58.9 | Low | 66.4 | Low | 157 Ų | 157 | 97.5 Ų | 97.5 | 68% | 0.683 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 105.1 | 170.2 | -67 | -174.5 | 179.8 | -172 | 0 | 107.6 | T74 | K49-T74 HydrophobicContact CB-CG2 3.94Å; K49-T74 HydrophobicContact CD-CG2 4.26Å; K49-T74 HydrophobicContact CG-CG2 4.44Å |
| 50 | V | 60.7 | Low | 64.8 | Low | 69 Ų | 69 | 96.7 Ų | 96.7 | 42% | 0.418 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126.4 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | F48 I52 R75 R77 | F48-V50 PolarHBondContact O-N 3.36Å; V50-I52 PolarHBondContact O-N 3.24Å; V50-R75 PolarHBondContact N-O 2.95Å; V50-R77 HydrophobicContact CG2-CB 4.2Å |
| 51 | P | 56.6 | Low | 63.4 | Low | 105 Ų | 105 | 93.6 Ų | 93.6 | 68% | 0.682 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 125.5 | 172 | 28.1 | -31.1 | 0 | 0 | 0 | 109.6 | ||
| 52 | I | 60.1 | Low | 62.1 | Low | 74 Ų | 74 | 95.7 Ų | 95.7 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 135.4 | 171.9 | -58.3 | 172.1 | 0 | 0 | 0 | 108.6 | V50 A54 L73 R75 | V50-I52 PolarHBondContact O-N 3.24Å; I52-A54 PolarHBondContact O-N 3.28Å; I52-L73 HydrophobicContact CB-CD2 4.48Å; I52-L73 PolarHBondContact N-O 3.03Å; I52-R75 HydrophobicContact CD1-CB 4.37Å; I52-R75 HydrophobicContact CD1-CG 4.12Å |
| 53 | Q | 54.5 | Low | 61.1 | Low | 177 Ų | 177 | 99.4 Ų | 99.4 | 83% | 0.827 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 124.5 | 169.6 | -81.5 | -177.2 | 7.8 | 0 | 0 | 109.7 | N55 | Q53-N55 PolarHBondContact O-N 3.13Š|
| 54 | A | 52.8 | Low | 60.4 | Low | 67 Ų | 67 | 104.5 Ų | 104.5 | 55% | 0.554 | 56% | 0.559 | S | S | * | * | trans | -69.6 | 113.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I52 | I52-A54 PolarHBondContact O-N 3.28Š| ||
| 55 | N | 59.7 | Low | 60.1 | Low | 113 Ų | 113 | 102.9 Ų | 102.9 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | trans | -82 | 151.7 | 161.2 | -67.4 | -6.8 | 0 | 0 | 0 | 109.1 | Q53 T57 L58 | Q53-N55 PolarHBondContact O-N 3.13Å; N55-T57 PolarHBondContact O-N 2.82Å; N55-L58 WeakPolarHBondContact O-CB 3.23Å; N55-L58 PolarHBondContact O-N 3.02Å | ||
| 56 | E | 56.7 | Low | 59.7 | Low | 177 Ų | 177 | 100.6 Ų | 100.6 | 83% | 0.827 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54.3 | -26.3 | -169.7 | -64.3 | -156.6 | 162.6 | 0 | 0 | 115.2 | L58 L59 | E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.23Å; E56-L59 PolarHBondContact O-N 3.38Å |
| 57 | T | 60.7 | Low | 59.8 | Low | 131 Ų | 131 | 99 Ų | 99 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.5 | -22.9 | 174.9 | -0.5 | 0 | 0 | 0 | 0 | 114.1 | N55 | N55-T57 PolarHBondContact O-N 2.82Å |
| 58 | L | 56.8 | Low | 59.9 | Low | 51 Ų | 51 | 100.5 Ų | 100.5 | 27% | 0.267 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -82.8 | -21.1 | 178.7 | -73.8 | 162.2 | 0 | 0 | 0 | 112.9 | N55 E56 G60 A61 V62 L73 | N55-L58 WeakPolarHBondContact O-CB 3.23Å; N55-L58 PolarHBondContact O-N 3.02Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.23Å; L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.85Å; L58-A61 PolarHBondContact O-N 2.98Å; L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 2.79Å; L58-L73 HydrophobicContact CD1-CD2 4.13Å; L58-L73 HydrophobicContact CD2-CD2 4.48Å |
| 59 | L | 56.7 | Low | 59.5 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 175 | -78 | 168.5 | 0 | 0 | 0 | 111.4 | E56 A61 V62 I63 | E56-L59 PolarHBondContact O-N 3.38Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 3.32Å; L59-V62 PolarHBondContact O-N 3.06Å; L59-I63 WeakPolarHBondContact O-CD1 3.43Å; L59-I63 VanDerWaalsContact O-CG1 3.3Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.14Å |
| 60 | G | 56.1 | Low | 59.3 | Low | 36 Ų | 36 | 95.1 Ų | 95.1 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L58 N64 | L58-G60 VanDerWaalsContact C-N 3.32Å; L58-G60 PolarHBondContact O-N 2.85Å; G60-N64 PolarHBondContact O-ND2 3.4Å |
| 61 | A | 57.5 | Low | 59.2 | Low | 48 Ų | 48 | 99 Ų | 99 | 40% | 0.397 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.7 | -35.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L58 L59 I63 N64 N65 | L58-A61 PolarHBondContact O-N 2.98Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 3.32Å; A61-I63 VanDerWaalsContact C-N 3.31Å; A61-I63 PolarHBondContact O-N 2.9Å; A61-N64 PolarHBondContact O-N 3.35Å; A61-N65 PolarHBondContact O-N 3.38Å |
| 62 | V | 59.4 | Low | 59.1 | Low | 52 Ų | 52 | 98.3 Ų | 98.3 | 32% | 0.315 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 175.5 | 177 | 0 | 0 | 0 | 0 | 111.7 | L58 L59 N64 V66 A69 L73 | L58-V62 WeakPolarHBondContact O-CG2 3.45Å; L58-V62 PolarHBondContact O-N 2.79Å; L59-V62 PolarHBondContact O-N 3.06Å; V62-N64 VanDerWaalsContact C-N 3.33Å; V62-N64 PolarHBondContact O-N 3.35Å; V62-V66 HydrophobicContact CG1-CG2 4.43Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.35Å; V62-A69 HydrophobicContact CB-CB 4.29Å; V62-A69 HydrophobicContact CG2-CB 3.73Å; V62-L73 HydrophobicContact CG2-CD1 4.37Å |
| 63 | I | 60.3 | Low | 58.9 | Low | 137 Ų | 137 | 96.9 Ų | 96.9 | 70% | 0.703 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.8 | -32.2 | -178.3 | -65 | 164.1 | 0 | 0 | 0 | 111.8 | L59 A61 | L59-I63 WeakPolarHBondContact O-CD1 3.43Å; L59-I63 VanDerWaalsContact O-CG1 3.3Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.14Å; A61-I63 VanDerWaalsContact C-N 3.31Å; A61-I63 PolarHBondContact O-N 2.9Å |
| 64 | N | 64.2 | Low | 59.1 | Low | 142 Ų | 142 | 90.8 Ų | 90.8 | 76% | 0.759 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -91.2 | -31 | -174.7 | -62.6 | -23.2 | 0 | 0 | 0 | 113.1 | G60 A61 V62 | G60-N64 PolarHBondContact O-ND2 3.4Å; A61-N64 PolarHBondContact O-N 3.35Å; V62-N64 VanDerWaalsContact C-N 3.33Å; V62-N64 PolarHBondContact O-N 3.35Å |
| 65 | N | 66.1 | Low | 59.4 | Low | 70 Ų | 70 | 96.7 Ų | 96.7 | 37% | 0.374 | 52% | 0.522 | S | S | . | . | trans | -158.7 | 94 | 177.1 | -166.1 | -7.7 | 0 | 0 | 0 | 111.9 | A61 S67 E68 A69 | A61-N65 PolarHBondContact O-N 3.38Å; N65-S67 VanDerWaalsContact C-N 3.28Å; N65-S67 PolarHBondContact O-N 2.68Å; N65-E68 HydrophobicContact CB-CB 4.16Å; N65-E68 PolarHBondContact ND2-OE2 2.95Å; N65-E68 PolarHBondContact O-N 2.81Å; N65-A69 WeakPolarHBondContact O-CB 3.37Å; N65-A69 PolarHBondContact O-N 3.22Å; N65-A69 VanDerWaalsContact O-N 3.08Å | ||
| 66 | V | 66.9 | Low | 59.4 | Low | 93 Ų | 93 | 96.9 Ų | 96.9 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.8 | -35.9 | -177 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | V62 M70 | V62-V66 HydrophobicContact CG1-CG2 4.43Å; V62-V66 VanDerWaalsContact O-CG2 3.28Å; V62-V66 WeakPolarHBondContact O-CG2 3.35Å; V66-M70 PolarHBondContact O-N 2.85Å; V66-M70 VanDerWaalsContact O-N 3.1Å |
| 67 | S | 67.2 | Low | 59.6 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 69% | 0.685 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.2 | -40.7 | -178.3 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | N65 | N65-S67 VanDerWaalsContact C-N 3.28Å; N65-S67 PolarHBondContact O-N 2.68Å |
| 68 | E | 62 | Low | 59.7 | Low | 118 Ų | 118 | 94.9 Ų | 94.9 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -78.7 | -31.8 | -179.2 | -164.3 | 171.5 | -172.6 | 0 | 0 | 111.7 | N65 E71 T72 | N65-E68 HydrophobicContact CB-CB 4.16Å; N65-E68 PolarHBondContact ND2-OE2 2.95Å; N65-E68 PolarHBondContact O-N 2.81Å; E68-E71 PolarHBondContact O-N 3.17Å; E68-T72 PolarHBondContact O-N 3.33Å; E68-T72 VanDerWaalsContact O-N 3.07Å; E68-T72 PolarHBondContact O-OG1 3.47Å |
| 69 | A | 54.9 | Low | 60.1 | Low | 8 Ų | 8 | 96.3 Ų | 96.3 | 7% | 0.066 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | V62 N65 E71 T72 L73 | V62-A69 HydrophobicContact CB-CB 4.29Å; V62-A69 HydrophobicContact CG2-CB 3.73Å; N65-A69 WeakPolarHBondContact O-CB 3.37Å; N65-A69 PolarHBondContact O-N 3.22Å; N65-A69 VanDerWaalsContact O-N 3.08Å; A69-E71 VanDerWaalsContact C-N 3.31Å; A69-E71 PolarHBondContact O-N 3.39Å; A69-T72 PolarHBondContact O-N 3.18Å; A69-L73 WeakPolarHBondContact O-CB 3.31Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 3.05Å |
| 70 | M | 55.3 | Low | 60.5 | Low | 129 Ų | 129 | 96.2 Ų | 96.2 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -40.9 | 175.4 | -172.3 | 87.4 | 83.5 | 0 | 0 | 111.8 | V66 T74 | V66-M70 PolarHBondContact O-N 2.85Å; V66-M70 VanDerWaalsContact O-N 3.1Å; M70-T74 PolarHBondContact O-N 2.94Å; M70-T74 PolarHBondContact O-OG1 2.82Å |
| 71 | E | 57.8 | Low | 61.6 | Low | 151 Ų | 151 | 96 Ų | 96 | 71% | 0.706 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.2 | -41.6 | 177.7 | -167.3 | 175.7 | 179.8 | 0 | 0 | 111.4 | E68 A69 L73 T74 | E68-E71 PolarHBondContact O-N 3.17Å; A69-E71 VanDerWaalsContact C-N 3.31Å; A69-E71 PolarHBondContact O-N 3.39Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.9Å; E71-T74 PolarHBondContact O-N 3.45Å |
| 72 | T | 56.1 | Low | 62.7 | Low | 90 Ų | 90 | 97.2 Ų | 97.2 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.3 | -31.6 | 178.3 | -47 | 0 | 0 | 0 | 0 | 112.7 | E68 A69 | E68-T72 PolarHBondContact O-N 3.33Å; E68-T72 VanDerWaalsContact O-N 3.07Å; E68-T72 PolarHBondContact O-OG1 3.47Å; A69-T72 PolarHBondContact O-N 3.18Å |
| 73 | L | 55.7 | Low | 63.8 | Low | 44 Ų | 44 | 95.5 Ų | 95.5 | 23% | 0.23 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -80.7 | -13.7 | -179.1 | -73.6 | 171.8 | 0 | 0 | 0 | 114.3 | I52 L58 V62 A69 E71 | I52-L73 HydrophobicContact CB-CD2 4.48Å; I52-L73 PolarHBondContact N-O 3.03Å; L58-L73 HydrophobicContact CD1-CD2 4.13Å; L58-L73 HydrophobicContact CD2-CD2 4.48Å; V62-L73 HydrophobicContact CG2-CD1 4.37Å; A69-L73 WeakPolarHBondContact O-CB 3.31Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 3.05Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 2.9Å |
| 74 | T | 57.8 | Low | 64.9 | Low | 49 Ų | 49 | 94 Ų | 94 | 30% | 0.301 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 85.7 | 177 | 32.8 | 0 | 0 | 0 | 0 | 110.9 | K49 M70 E71 I76 | K49-T74 HydrophobicContact CB-CG2 3.94Å; K49-T74 HydrophobicContact CD-CG2 4.26Å; K49-T74 HydrophobicContact CG-CG2 4.44Å; M70-T74 PolarHBondContact O-N 2.94Å; M70-T74 PolarHBondContact O-OG1 2.82Å; E71-T74 PolarHBondContact O-N 3.45Å; T74-I76 PolarHBondContact O-N 3.3Å |
| 75 | R | 59.9 | Low | 65.8 | Low | 191 Ų | 191 | 88.1 Ų | 88.1 | 72% | 0.721 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 122.9 | 166.5 | -95.8 | -166.9 | 175.8 | -165.4 | 0.6 | 109.6 | V50 I52 R77 | V50-R75 PolarHBondContact N-O 2.95Å; I52-R75 HydrophobicContact CD1-CB 4.37Å; I52-R75 HydrophobicContact CD1-CG 4.12Å; R75-R77 PolarHBondContact O-N 3.45Å |
| 76 | I | 59.9 | Low | 66.8 | Low | 116 Ų | 116 | 87.9 Ų | 87.9 | 60% | 0.595 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 107 | 169 | -62.8 | 172.4 | 0 | 0 | 0 | 107.1 | T74 | T74-I76 PolarHBondContact O-N 3.3Å |
| 77 | R | 59.4 | Low | 67.9 | Low | 140 Ų | 140 | 85.9 Ų | 85.9 | 53% | 0.528 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 113.6 | 168.7 | -168.8 | 173.8 | -176.5 | -116.8 | -0.1 | 107.3 | F48 V50 R75 E79 | F48-R77 PolarHBondContact N-O 3.38Å; F48-R77 VanDerWaalsContact N-O 3.16Å; F48-R77 PolarHBondContact O-N 3.09Å; F48-R77 VanDerWaalsContact O-N 3.08Å; V50-R77 HydrophobicContact CG2-CB 4.2Å; R75-R77 PolarHBondContact O-N 3.45Å; R77-E79 IonicContact CZ-OE1 3.68Å; R77-E79 IonicContact CZ-OE2 3.98Å; R77-E79 IonicContact NH1-OE1 2.86Å; R77-E79 PolarHBondContact NH1-OE1 2.97Å; R77-E79 IonicContact NH1-OE2 2.88Å; R77-E79 PolarHBondContact NH1-OE2 3.28Å; R77-E79 IonicContact NH2-OE1 3.77Å; R77-E79 PolarHBondContact O-N 3.3Å |
| 78 | E | 64.3 | Low | 69.1 | Low | 127 Ų | 127 | 88.3 Ų | 88.3 | 59% | 0.593 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.5 | 167.5 | -65.7 | -167.8 | 176.9 | 0 | 0 | 108 | K45 | K45-E78 IonicContact NZ-OE2 2.8Å; K45-E78 PolarHBondContact NZ-OE2 2.94Å |
| 79 | E | 65.3 | Low | 70.6 | Confident | 80 Ų | 80 | 84 Ų | 84 | 37% | 0.374 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.6 | 173.9 | -167.6 | 156.1 | -145.1 | 0 | 0 | 109.3 | R46 F48 R77 V81 | R46-E79 PolarHBondContact N-O 3.29Å; R46-E79 VanDerWaalsContact N-O 3.08Å; R46-E79 PolarHBondContact O-N 3.36Å; R46-E79 VanDerWaalsContact O-N 3.15Å; F48-E79 HydrophobicContact CD2-CB 4.46Å; R77-E79 IonicContact CZ-OE1 3.68Å; R77-E79 IonicContact CZ-OE2 3.98Å; R77-E79 IonicContact NH1-OE1 2.86Å; R77-E79 PolarHBondContact NH1-OE1 2.97Å; R77-E79 IonicContact NH1-OE2 2.88Å; R77-E79 PolarHBondContact NH1-OE2 3.28Å; R77-E79 IonicContact NH2-OE1 3.77Å; R77-E79 PolarHBondContact O-N 3.3Å; E79-V81 HydrophobicContact CG-CG1 4.41Å; E79-V81 PolarHBondContact O-N 3.43Å |
| 80 | M | 65.6 | Low | 72.5 | Confident | 101 Ų | 101 | 87.6 Ų | 87.6 | 50% | 0.498 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.5 | 177.1 | -171.9 | -179.3 | -127 | 0 | 0 | 107.7 | V11 Y43 | V11-M80 HydrophobicContact CB-CE 4.42Å; V11-M80 HydrophobicContact CG1-CE 3.59Å; V11-M80 HydrophobicContact CG1-SD 4.12Å; V11-M80 HydrophobicContact CG2-CE 4.05Å; Y43-M80 HydrophobicContact CD1-CG 3.81Å; Y43-M80 HydrophobicContact CD1-SD 4.07Å; Y43-M80 HydrophobicContact CG-CE 4.34Å; Y43-M80 HydrophobicContact CG-CG 4.08Å; Y43-M80 HydrophobicContact CG-SD 4.12Å |
| 81 | V | 78.7 | Confident | 74.5 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136.4 | -178.5 | -67.3 | 0 | 0 | 0 | 0 | 110.5 | E44 R46 F48 E79 V83 | E44-V81 PolarHBondContact N-O 3.09Å; E44-V81 PolarHBondContact O-N 3.49Å; E44-V81 VanDerWaalsContact O-N 3.12Å; R46-V81 HydrophobicContact CB-CG2 3.98Å; R46-V81 HydrophobicContact CG-CG2 3.68Å; F48-V81 HydrophobicContact CE2-CG1 4.31Å; E79-V81 HydrophobicContact CG-CG1 4.41Å; E79-V81 PolarHBondContact O-N 3.43Å; V81-V83 HydrophobicContact CG2-CG1 4.4Å; V81-V83 PolarHBondContact O-N 3.34Å |
| 82 | P | 79.3 | Confident | 76.3 | Confident | 74 Ų | 74 | 77.4 Ų | 77.4 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 124.5 | 173.7 | 28 | -32.2 | 0 | 0 | 0 | 109.5 | T41 Y43 | T41-P82 HydrophobicContact CG2-CB 3.45Å; T41-P82 VanDerWaalsContact CG2-CB 3.45Å; Y43-P82 HydrophobicContact CD1-CB 4.25Å; Y43-P82 HydrophobicContact CE1-CB 3.97Å |
| 83 | V | 83.4 | Confident | 78.2 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 10% | 0.097 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 143.3 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 110 | S42 E44 V81 G85 | S42-V83 PolarHBondContact N-O 2.92Å; S42-V83 VanDerWaalsContact O-CG2 3.27Å; S42-V83 WeakPolarHBondContact O-CG2 3.42Å; S42-V83 PolarHBondContact O-N 3.43Å; S42-V83 VanDerWaalsContact O-O 3.13Å; E44-V83 HydrophobicContact CB-CG1 4.36Å; E44-V83 HydrophobicContact CB-CG2 4.17Å; E44-V83 HydrophobicContact CG-CG2 3.71Å; V81-V83 HydrophobicContact CG2-CG1 4.4Å; V81-V83 PolarHBondContact O-N 3.34Å; V83-G85 PolarHBondContact O-N 2.84Å |
| 84 | P | 82.4 | Confident | 80.1 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 68% | 0.682 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 122.3 | 175.4 | 26.3 | -33 | 0 | 0 | 0 | 109.8 | F39 | F39-P84 HydrophobicContact CE2-CB 3.66Å; F39-P84 HydrophobicContact CZ-CB 3.66Å |
| 85 | G | 84.6 | Confident | 81.9 | Confident | 19 Ų | 19 | 74 Ų | 74 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 165.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K40 V83 | K40-G85 PolarHBondContact N-O 2.94Å; K40-G85 CarbonylContact O-C 3.47Å; K40-G85 WeakPolarHBondContact O-CA 3.42Å; K40-G85 PolarHBondContact O-N 3.02Å; K40-G85 VanDerWaalsContact O-N 3.12Å; V83-G85 PolarHBondContact O-N 2.84Å |
| 86 | S | 86.1 | Confident | 83.7 | Confident | 65 Ų | 65 | 69.6 Ų | 69.6 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.9 | 172.6 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | K37 Q38 | K37-S86 WeakPolarHBondContact CB-OG 3.37Å; K37-S86 WeakPolarHBondContact CD-OG 3.42Å; Q38-S86 VanDerWaalsContact O-CA 3.29Å; Q38-S86 WeakPolarHBondContact O-CA 3.26Å; Q38-S86 PolarHBondContact O-OG 3.26Å |
| 87 | V | 89.8 | Confident | 85.5 | Confident | 51 Ų | 51 | 65.5 Ų | 65.5 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 147.4 | 172.3 | -60.3 | 0 | 0 | 0 | 0 | 110.1 | K37 Q38 K40 G89 | K37-V87 WeakPolarHBondContact CA-O 3.42Å; Q38-V87 HydrophobicContact CG-CG2 3.26Å; Q38-V87 PolarHBondContact N-O 3.18Å; Q38-V87 VanDerWaalsContact NE2-CG2 3.31Å; Q38-V87 PolarHBondContact O-N 3.37Å; K40-V87 HydrophobicContact CB-CG1 4.08Å; K40-V87 HydrophobicContact CB-CG2 4.3Å; K40-V87 HydrophobicContact CD-CG1 3.89Å; V87-G89 PolarHBondContact O-N 2.87Å |
| 88 | N | 93.2 | Very high | 87.3 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 80% | 0.797 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.9 | 175.5 | -64.1 | -24.6 | 0 | 0 | 0 | 109.2 | ||
| 89 | G | 93.4 | Very high | 88.8 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 27% | 0.268 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 153.8 | 150 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111 | F36 K37 Q38 V87 N91 | F36-G89 CarbonylContact C-O 3.12Å; F36-G89 PolarHBondContact O-N 3.31Å; K37-G89 CarbonylContact C-O 2.98Å; K37-G89 WeakPolarHBondContact CA-O 3.31Å; K37-G89 PolarHBondContact N-O 2.94Å; Q38-G89 PolarHBondContact N-O 3.36Å; V87-G89 PolarHBondContact O-N 2.87Å; G89-N91 PolarHBondContact O-N 3.23Å |
| 90 | V | 95.4 | Very high | 90.3 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | trans | -71.8 | 125.8 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | C35 A92 L95 | C35-V90 WeakPolarHBondContact O-CG2 3.41Å; V90-A92 PolarHBondContact O-N 3.43Å; V90-L95 HydrophobicContact CG1-CD1 3.76Å | ||
| 91 | N | 96.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | trans | -77.8 | 73.8 | 166.7 | -179.2 | 7.7 | 0 | 0 | 0 | 109.9 | N25 A34 Q38 G89 L93 G94 L95 | N25-N91 PolarHBondContact O-ND2 2.89Å; N25-N91 PolarHBondContact O-OD1 3.36Å; N25-N91 PolarHBondContact OD1-ND2 3.17Å; A34-N91 HydrophobicContact CB-CB 4.15Å; A34-N91 PolarHBondContact O-N 2.93Å; Q38-N91 HydrophobicContact CB-CB 3.98Å; G89-N91 PolarHBondContact O-N 3.23Å; N91-L93 PolarHBondContact O-N 3.47Å; N91-G94 PolarHBondContact O-N 3.29Å; N91-G94 PolarHBondContact OD1-N 2.93Å; N91-L95 WeakPolarHBondContact O-CG 3.05Å; N91-L95 PolarHBondContact O-N 3.47Å | ||
| 92 | A | 95.7 | Very high | 92.6 | Very high | 59 Ų | 59 | 64 Ų | 64 | 49% | 0.488 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.5 | -37.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V90 L95 V96 | V90-A92 PolarHBondContact O-N 3.43Å; A92-L95 PolarHBondContact O-N 2.84Å; A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.29Å |
| 93 | L | 95.2 | Very high | 93.4 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 36% | 0.361 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | -178.1 | 179.1 | 154.3 | 0 | 0 | 0 | 111.7 | L22 N25 M26 N91 V96 V97 | L22-L93 HydrophobicContact CD1-CD1 3.45Å; L22-L93 VanDerWaalsContact CD1-CD1 3.45Å; N25-L93 HydrophobicContact CB-CD2 4.42Å; M26-L93 HydrophobicContact CB-CD2 3.85Å; M26-L93 HydrophobicContact CG-CD2 3.26Å; M26-L93 HydrophobicContact CG-CG 4.43Å; N91-L93 PolarHBondContact O-N 3.47Å; L93-V96 PolarHBondContact O-N 3.32Å; L93-V97 HydrophobicContact CD2-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.32Å |
| 94 | G | 96 | Very high | 94 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N25 N91 V96 V97 F98 | N25-G94 WeakPolarHBondContact O-CA 3.31Å; N25-G94 PolarHBondContact O-N 3.1Å; N91-G94 PolarHBondContact O-N 3.29Å; N91-G94 PolarHBondContact OD1-N 2.93Å; G94-V96 VanDerWaalsContact C-N 3.34Å; G94-V96 PolarHBondContact O-N 3.38Å; G94-V97 PolarHBondContact O-N 3.48Å; G94-F98 WeakPolarHBondContact O-CB 3.44Å; G94-F98 PolarHBondContact O-N 3.39Å |
| 95 | L | 96.8 | Very high | 94.7 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 23% | 0.225 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.5 | -39 | 176.5 | -67.3 | 175.9 | 0 | 0 | 0 | 112.1 | A34 V90 N91 A92 S99 | A34-L95 HydrophobicContact CB-CD2 4.14Å; A34-L95 HydrophobicContact CB-CG 4.42Å; V90-L95 HydrophobicContact CG1-CD1 3.76Å; N91-L95 WeakPolarHBondContact O-CG 3.05Å; N91-L95 PolarHBondContact O-N 3.47Å; A92-L95 PolarHBondContact O-N 2.84Å; L95-S99 VanDerWaalsContact O-CB 3.23Å; L95-S99 WeakPolarHBondContact O-CB 3.29Å; L95-S99 PolarHBondContact O-N 2.92Å; L95-S99 PolarHBondContact O-OG 2.92Å |
| 96 | V | 96.7 | Very high | 95.3 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.6 | -48.4 | 176.2 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | A92 L93 G94 F98 S99 M100 | A92-V96 VanDerWaalsContact O-CG2 3.26Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.29Å; L93-V96 PolarHBondContact O-N 3.32Å; G94-V96 VanDerWaalsContact C-N 3.34Å; G94-V96 PolarHBondContact O-N 3.38Å; V96-F98 PolarHBondContact O-N 3.19Å; V96-S99 PolarHBondContact O-N 3.01Å; V96-M100 WeakPolarHBondContact O-CB 3.46Å; V96-M100 PolarHBondContact O-N 3.47Å |
| 97 | V | 97.1 | Very high | 95.6 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.188 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 179 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | M26 F27 L93 G94 M100 C101 | M26-V97 HydrophobicContact CB-CG2 4.37Å; M26-V97 HydrophobicContact CE-CG2 4.12Å; M26-V97 HydrophobicContact CG-CG2 4.4Å; F27-V97 HydrophobicContact CE1-CG1 4.28Å; L93-V97 HydrophobicContact CD2-CG2 4.48Å; L93-V97 WeakPolarHBondContact O-CG2 3.48Å; L93-V97 PolarHBondContact O-N 3.32Å; G94-V97 PolarHBondContact O-N 3.48Å; V97-M100 PolarHBondContact O-N 3.35Å; V97-C101 PolarHBondContact O-N 2.89Å; V97-C101 VanDerWaalsContact O-N 3.1Å; V97-C101 PolarHBondContact O-SG 3.04Å |
| 98 | F | 97.1 | Very high | 95.9 | Very high | 85 Ų | 85 | 69 Ų | 69 | 37% | 0.373 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 175.8 | 173.8 | -98.4 | 0 | 0 | 0 | 112 | L31 G94 V96 M100 C101 F102 | L31-F98 HydrophobicContact CD1-CD1 3.89Å; L31-F98 HydrophobicContact CD1-CD2 3.85Å; L31-F98 HydrophobicContact CD1-CE1 3.56Å; L31-F98 HydrophobicContact CD1-CE2 3.52Å; L31-F98 HydrophobicContact CD1-CG 4.03Å; L31-F98 HydrophobicContact CD1-CZ 3.36Å; L31-F98 HydrophobicContact CD2-CB 3.89Å; L31-F98 HydrophobicContact CD2-CD1 3.86Å; L31-F98 HydrophobicContact CD2-CD2 3.84Å; L31-F98 HydrophobicContact CD2-CE1 4.4Å; L31-F98 HydrophobicContact CD2-CE2 4.39Å; L31-F98 HydrophobicContact CD2-CG 3.55Å; L31-F98 HydrophobicContact CG-CD2 4.44Å; L31-F98 HydrophobicContact CG-CG 4.45Å; G94-F98 WeakPolarHBondContact O-CB 3.44Å; G94-F98 PolarHBondContact O-N 3.39Å; V96-F98 PolarHBondContact O-N 3.19Å; F98-M100 VanDerWaalsContact C-N 3.3Å; F98-M100 PolarHBondContact O-N 3.41Å; F98-C101 PolarHBondContact O-N 3.37Å; F98-F102 HydrophobicContact CE1-CB 4.24Å; F98-F102 HydrophobicContact CE1-CG 4.39Å; F98-F102 HydrophobicContact CZ-CB 4.23Å; F98-F102 HydrophobicContact CZ-CD2 4.47Å; F98-F102 HydrophobicContact CZ-CG 4.27Å; F98-F102 VanDerWaalsContact O-CB 3.26Å; F98-F102 WeakPolarHBondContact O-CB 3.47Å; F98-F102 PolarHBondContact O-N 3.17Å |
| 99 | S | 96.7 | Very high | 95.9 | Very high | 68 Ų | 68 | 65.4 Ų | 65.4 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.9 | -35.7 | -178.3 | -58.7 | 0 | 0 | 0 | 0 | 112.2 | L95 V96 G103 | L95-S99 VanDerWaalsContact O-CB 3.23Å; L95-S99 WeakPolarHBondContact O-CB 3.29Å; L95-S99 PolarHBondContact O-N 2.92Å; L95-S99 PolarHBondContact O-OG 2.92Å; V96-S99 PolarHBondContact O-N 3.01Å; S99-G103 PolarHBondContact O-N 2.93Å |
| 100 | M | 96.6 | Very high | 95.8 | Very high | 145 Ų | 145 | 72.6 Ų | 72.6 | 71% | 0.714 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.3 | -47.8 | 175.7 | -172.9 | 178.9 | -175.9 | 0 | 0 | 111.4 | V96 V97 F98 F104 | V96-M100 WeakPolarHBondContact O-CB 3.46Å; V96-M100 PolarHBondContact O-N 3.47Å; V97-M100 PolarHBondContact O-N 3.35Å; F98-M100 VanDerWaalsContact C-N 3.3Å; F98-M100 PolarHBondContact O-N 3.41Å; M100-F104 VanDerWaalsContact O-CB 3.27Å; M100-F104 WeakPolarHBondContact O-CB 3.4Å; M100-F104 PolarHBondContact O-N 3.49Å |
| 101 | C | 96.7 | Very high | 95.7 | Very high | 74 Ų | 74 | 76 Ų | 76 | 50% | 0.5 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176 | -68.7 | 0 | 0 | 0 | 0 | 111.8 | V97 F98 F104 V105 | V97-C101 PolarHBondContact O-N 2.89Å; V97-C101 VanDerWaalsContact O-N 3.1Å; V97-C101 PolarHBondContact O-SG 3.04Å; F98-C101 PolarHBondContact O-N 3.37Å; C101-F104 WeakPolarHBondContact O-CB 3.37Å; C101-F104 PolarHBondContact O-N 3.22Å; C101-V105 WeakPolarHBondContact O-CG2 3.39Å; C101-V105 PolarHBondContact O-N 2.87Å |
| 102 | F | 96.5 | Very high | 95.6 | Very high | 75 Ų | 75 | 83.3 Ų | 83.3 | 33% | 0.329 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | -179.9 | -174.9 | -120.3 | 0 | 0 | 0 | 112.1 | F98 F104 V105 I106 F120 | F98-F102 HydrophobicContact CE1-CB 4.24Å; F98-F102 HydrophobicContact CE1-CG 4.39Å; F98-F102 HydrophobicContact CZ-CB 4.23Å; F98-F102 HydrophobicContact CZ-CD2 4.47Å; F98-F102 HydrophobicContact CZ-CG 4.27Å; F98-F102 VanDerWaalsContact O-CB 3.26Å; F98-F102 WeakPolarHBondContact O-CB 3.47Å; F98-F102 PolarHBondContact O-N 3.17Å; F102-F104 VanDerWaalsContact C-N 3.32Å; F102-F104 PolarHBondContact O-N 2.71Å; F102-V105 PolarHBondContact O-N 3.4Å; F102-I106 HydrophobicContact CD1-CD1 3.76Å; F102-I106 HydrophobicContact CD2-CD1 4.42Å; F102-I106 HydrophobicContact CE1-CD1 3.41Å; F102-I106 VanDerWaalsContact CE1-CD1 3.41Å; F102-I106 HydrophobicContact CE1-CG1 4.5Å; F102-I106 HydrophobicContact CE2-CD1 4.1Å; F102-I106 HydrophobicContact CE2-CG1 4.4Å; F102-I106 HydrophobicContact CG-CD1 4.27Å; F102-I106 HydrophobicContact CZ-CD1 3.59Å; F102-I106 HydrophobicContact CZ-CG1 4.32Å; F102-I106 WeakPolarHBondContact O-CG1 3.38Å; F102-I106 PolarHBondContact O-N 3.34Å; F102-F120 HydrophobicContact CD1-CE2 4.38Å; F102-F120 HydrophobicContact CD1-CZ 4.4Å; F102-F120 AromaticContact CE1-CE2 3.59Å; F102-F120 HydrophobicContact CE1-CE2 3.59Å; F102-F120 AromaticContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CZ-CE2 4.44Å |
| 103 | G | 96.1 | Very high | 95.5 | Very high | 40 Ų | 40 | 80.6 Ų | 80.6 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S99 I106 G107 | S99-G103 PolarHBondContact O-N 2.93Å; G103-I106 PolarHBondContact O-N 2.87Å; G103-G107 PolarHBondContact O-N 2.96Å |
| 104 | F | 96.2 | Very high | 95.5 | Very high | 146 Ų | 146 | 81.6 Ų | 81.6 | 64% | 0.64 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 173.8 | 179.7 | -98.8 | 0 | 0 | 0 | 112.2 | M100 C101 F102 G107 N108 | M100-F104 VanDerWaalsContact O-CB 3.27Å; M100-F104 WeakPolarHBondContact O-CB 3.4Å; M100-F104 PolarHBondContact O-N 3.49Å; C101-F104 WeakPolarHBondContact O-CB 3.37Å; C101-F104 PolarHBondContact O-N 3.22Å; F102-F104 VanDerWaalsContact C-N 3.32Å; F102-F104 PolarHBondContact O-N 2.71Å; F104-G107 PolarHBondContact O-N 3.12Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.26Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.34Å; F104-N108 PolarHBondContact O-N 2.96Å; F104-N108 VanDerWaalsContact O-N 3.17Å; F104-N108 PolarHBondContact O-ND2 2.92Å |
| 105 | V | 97.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 85.1 Ų | 85.1 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | C101 F102 G107 N108 M109 | C101-V105 WeakPolarHBondContact O-CG2 3.39Å; C101-V105 PolarHBondContact O-N 2.87Å; F102-V105 PolarHBondContact O-N 3.4Å; V105-G107 VanDerWaalsContact C-N 3.28Å; V105-G107 PolarHBondContact O-N 3.14Å; V105-N108 PolarHBondContact O-N 2.87Å; V105-M109 HydrophobicContact CG1-CG 4.48Å; V105-M109 HydrophobicContact CG1-SD 4.02Å; V105-M109 WeakPolarHBondContact O-CG 3.23Å; V105-M109 PolarHBondContact O-N 3.02Å |
| 106 | I | 96.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 86.6 Ų | 86.6 | 8% | 0.077 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 176.8 | -68.4 | 167.6 | 0 | 0 | 0 | 110.8 | F102 G103 N108 M109 L116 R117 F120 | F102-I106 HydrophobicContact CD1-CD1 3.76Å; F102-I106 HydrophobicContact CD2-CD1 4.42Å; F102-I106 HydrophobicContact CE1-CD1 3.41Å; F102-I106 VanDerWaalsContact CE1-CD1 3.41Å; F102-I106 HydrophobicContact CE1-CG1 4.5Å; F102-I106 HydrophobicContact CE2-CD1 4.1Å; F102-I106 HydrophobicContact CE2-CG1 4.4Å; F102-I106 HydrophobicContact CG-CD1 4.27Å; F102-I106 HydrophobicContact CZ-CD1 3.59Å; F102-I106 HydrophobicContact CZ-CG1 4.32Å; F102-I106 WeakPolarHBondContact O-CG1 3.38Å; F102-I106 PolarHBondContact O-N 3.34Å; G103-I106 PolarHBondContact O-N 2.87Å; I106-N108 PolarHBondContact O-N 2.91Å; I106-M109 PolarHBondContact O-N 3.36Å; I106-L116 HydrophobicContact CD1-CB 4.06Å; I106-L116 HydrophobicContact CD1-CD1 4.17Å; I106-L116 HydrophobicContact CG1-CB 4.45Å; I106-L116 HydrophobicContact CG1-CD1 4.2Å; I106-L116 HydrophobicContact CG2-CB 4.35Å; I106-R117 HydrophobicContact CG2-CB 4.34Å; I106-F120 HydrophobicContact CD1-CD2 4.27Å; I106-F120 HydrophobicContact CD1-CE2 3.99Å |
| 107 | G | 93.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 89.8 Ų | 89.8 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60 | -31.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | G103 F104 V105 | G103-G107 PolarHBondContact O-N 2.96Å; F104-G107 PolarHBondContact O-N 3.12Å; V105-G107 VanDerWaalsContact C-N 3.28Å; V105-G107 PolarHBondContact O-N 3.14Å |
| 108 | N | 94.9 | Very high | 95.5 | Very high | 101 Ų | 101 | 93.2 Ų | 93.2 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.4 | -17.4 | 176.6 | -75.5 | -65.9 | 0 | 0 | 0 | 113.8 | F104 V105 I106 K110 | F104-N108 WeakPolarHBondContact CE1-ND2 3.26Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.34Å; F104-N108 PolarHBondContact O-N 2.96Å; F104-N108 VanDerWaalsContact O-N 3.17Å; F104-N108 PolarHBondContact O-ND2 2.92Å; V105-N108 PolarHBondContact O-N 2.87Å; I106-N108 PolarHBondContact O-N 2.91Å; N108-K110 PolarHBondContact O-N 3.21Å |
| 109 | M | 93.5 | Very high | 95.5 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 36% | 0.355 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -1.5 | -177.5 | -71.7 | 174.1 | 70.1 | 0 | 0 | 114.6 | V105 I106 E111 Q112 G113 | V105-M109 HydrophobicContact CG1-CG 4.48Å; V105-M109 HydrophobicContact CG1-SD 4.02Å; V105-M109 WeakPolarHBondContact O-CG 3.23Å; V105-M109 PolarHBondContact O-N 3.02Å; I106-M109 PolarHBondContact O-N 3.36Å; M109-E111 PolarHBondContact O-N 2.95Å; M109-Q112 HydrophobicContact CB-CB 4.4Å; M109-Q112 HydrophobicContact CE-CB 4.17Å; M109-Q112 PolarHBondContact O-N 3.44Å; M109-G113 PolarHBondContact O-N 3.38Å |
| 110 | K | 90.6 | Very high | 95.5 | Very high | 177 Ų | 177 | 95.6 Ų | 95.6 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | 47.1 | -121.7 | 178.4 | -59.3 | -178.2 | -179.4 | 178.9 | 0 | 111.6 | N108 Q112 G113 Q114 | N108-K110 PolarHBondContact O-N 3.21Å; K110-Q112 VanDerWaalsContact C-N 3.31Å; K110-Q112 PolarHBondContact O-N 3.04Å; K110-G113 PolarHBondContact O-N 3.27Å; K110-G113 VanDerWaalsContact O-N 3.09Å; K110-Q114 PolarHBondContact O-N 3.31Å |
| 111 | E | 93.9 | Very high | 95.6 | Very high | 157 Ų | 157 | 93.1 Ų | 93.1 | 73% | 0.734 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -56.5 | -39.4 | -179.7 | -57.7 | -64.1 | 132.1 | 0 | 0 | 112.8 | M109 G113 Q114 | M109-E111 PolarHBondContact O-N 2.95Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 3.07Å; E111-Q114 WeakPolarHBondContact O-CB 3.27Å; E111-Q114 PolarHBondContact O-N 3.24Å |
| 112 | Q | 93.8 | Very high | 95.6 | Very high | 160 Ų | 160 | 93.5 Ų | 93.5 | 75% | 0.748 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -69.7 | -26 | -179.6 | -65.3 | -177.7 | -8.9 | 0 | 0 | 112.4 | M109 K110 | M109-Q112 HydrophobicContact CB-CB 4.4Å; M109-Q112 HydrophobicContact CE-CB 4.17Å; M109-Q112 PolarHBondContact O-N 3.44Å; K110-Q112 VanDerWaalsContact C-N 3.31Å; K110-Q112 PolarHBondContact O-N 3.04Å |
| 113 | G | 94.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 93.6 Ų | 93.6 | 2% | 0.021 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -85 | -10.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M109 K110 E111 A115 L116 R117 | M109-G113 PolarHBondContact O-N 3.38Å; K110-G113 PolarHBondContact O-N 3.27Å; K110-G113 VanDerWaalsContact O-N 3.09Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 3.07Å; G113-A115 PolarHBondContact O-N 3.36Å; G113-L116 PolarHBondContact O-N 3.21Å; G113-R117 PolarHBondContact O-N 2.82Å |
| 114 | Q | 95.8 | Very high | 95.7 | Very high | 89 Ų | 89 | 96 Ų | 96 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | -170.2 | -174.3 | 174.5 | -3.2 | 0 | 0 | 112.6 | K110 E111 L116 R117 E118 | K110-Q114 PolarHBondContact O-N 3.31Å; E111-Q114 WeakPolarHBondContact O-CB 3.27Å; E111-Q114 PolarHBondContact O-N 3.24Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.95Å; Q114-R117 PolarHBondContact O-N 3.22Å; Q114-R117 VanDerWaalsContact O-N 3.15Å; Q114-E118 HydrophobicContact CG-CG 4.34Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.24Å; Q114-E118 PolarHBondContact NE2-OE1 2.77Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 2.98Å |
| 115 | A | 96.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 93.6 Ų | 93.6 | 62% | 0.62 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.1 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G113 F119 | G113-A115 PolarHBondContact O-N 3.36Å; A115-F119 WeakPolarHBondContact O-CB 3.22Å; A115-F119 PolarHBondContact O-N 3.39Å; A115-F119 VanDerWaalsContact O-N 3.09Å |
| 116 | L | 96.9 | Very high | 95.9 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 176.2 | -75.3 | 174.2 | 0 | 0 | 0 | 111.5 | I106 G113 Q114 F119 F120 | I106-L116 HydrophobicContact CD1-CB 4.06Å; I106-L116 HydrophobicContact CD1-CD1 4.17Å; I106-L116 HydrophobicContact CG1-CB 4.45Å; I106-L116 HydrophobicContact CG1-CD1 4.2Å; I106-L116 HydrophobicContact CG2-CB 4.35Å; G113-L116 PolarHBondContact O-N 3.21Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.95Å; L116-F119 WeakPolarHBondContact O-CB 3.33Å; L116-F119 PolarHBondContact O-N 3.25Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 2.64Å |
| 117 | R | 95.5 | Very high | 96 | Very high | 165 Ų | 165 | 95.7 Ų | 95.7 | 62% | 0.623 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -49.2 | 176.7 | -175.3 | 177.9 | 177.7 | 178.1 | 1 | 111.5 | I106 G113 Q114 F119 F120 D121 | I106-R117 HydrophobicContact CG2-CB 4.34Å; G113-R117 PolarHBondContact O-N 2.82Å; Q114-R117 PolarHBondContact O-N 3.22Å; Q114-R117 VanDerWaalsContact O-N 3.15Å; R117-F119 VanDerWaalsContact C-N 3.29Å; R117-F119 PolarHBondContact O-N 3.5Å; R117-F120 PolarHBondContact O-N 2.81Å; R117-D121 WeakPolarHBondContact O-CB 3.37Å; R117-D121 PolarHBondContact O-N 3.48Å |
| 118 | E | 96.8 | Very high | 96.2 | Very high | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | 178 | -71.9 | 176.6 | -171.7 | 0 | 0 | 112.3 | Q114 S122 | Q114-E118 HydrophobicContact CG-CG 4.34Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.24Å; Q114-E118 PolarHBondContact NE2-OE1 2.77Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 2.98Å; E118-S122 WeakPolarHBondContact O-CB 3.38Å; E118-S122 PolarHBondContact O-N 3.44Å; E118-S122 PolarHBondContact O-OG 3.33Å |
| 119 | F | 97.6 | Very high | 96.3 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 172 | 169.9 | -95.9 | 0 | 0 | 0 | 111.9 | A115 L116 R117 S122 L123 | A115-F119 WeakPolarHBondContact O-CB 3.22Å; A115-F119 PolarHBondContact O-N 3.39Å; A115-F119 VanDerWaalsContact O-N 3.09Å; L116-F119 WeakPolarHBondContact O-CB 3.33Å; L116-F119 PolarHBondContact O-N 3.25Å; R117-F119 VanDerWaalsContact C-N 3.29Å; R117-F119 PolarHBondContact O-N 3.5Å; F119-S122 PolarHBondContact O-N 2.9Å; F119-L123 HydrophobicContact CE1-CD2 4.28Å; F119-L123 HydrophobicContact CZ-CD2 4.45Å; F119-L123 WeakPolarHBondContact O-CB 3.43Å; F119-L123 PolarHBondContact O-N 3.1Å |
| 120 | F | 97.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 103 Ų | 103 | 38% | 0.377 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | 179.7 | -79.4 | -66.4 | 0 | 0 | 0 | 112.8 | F102 I106 L116 R117 L123 N124 | F102-F120 HydrophobicContact CD1-CE2 4.38Å; F102-F120 HydrophobicContact CD1-CZ 4.4Å; F102-F120 AromaticContact CE1-CE2 3.59Å; F102-F120 HydrophobicContact CE1-CE2 3.59Å; F102-F120 AromaticContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CE1-CZ 3.7Å; F102-F120 HydrophobicContact CZ-CE2 4.44Å; I106-F120 HydrophobicContact CD1-CD2 4.27Å; I106-F120 HydrophobicContact CD1-CE2 3.99Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 2.64Å; R117-F120 PolarHBondContact O-N 2.81Å; F120-L123 HydrophobicContact CD1-CD2 4.34Å; F120-L123 PolarHBondContact O-N 3.48Å; F120-N124 WeakPolarHBondContact O-CB 3.29Å; F120-N124 PolarHBondContact O-N 3.27Å |
| 121 | D | 97.1 | Very high | 96.9 | Very high | 93 Ų | 93 | 97.2 Ų | 97.2 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -45.5 | 175.4 | -74.2 | -20 | 0 | 0 | 0 | 110.7 | R117 N124 E125 | R117-D121 WeakPolarHBondContact O-CB 3.37Å; R117-D121 PolarHBondContact O-N 3.48Å; D121-N124 PolarHBondContact O-N 2.84Å; D121-E125 PolarHBondContact O-N 2.87Å |
| 122 | S | 98.3 | Very high | 97 | Very high | 83 Ų | 83 | 92.1 Ų | 92.1 | 58% | 0.58 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | E118 F119 E125 A126 | E118-S122 WeakPolarHBondContact O-CB 3.38Å; E118-S122 PolarHBondContact O-N 3.44Å; E118-S122 PolarHBondContact O-OG 3.33Å; F119-S122 PolarHBondContact O-N 2.9Å; S122-E125 PolarHBondContact O-N 3.45Å; S122-A126 PolarHBondContact O-N 2.78Å |
| 123 | L | 97.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 88.5 Ų | 88.5 | 40% | 0.398 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.1 | -176.4 | 68.3 | 0 | 0 | 0 | 111.2 | F119 F120 A126 I127 | F119-L123 HydrophobicContact CE1-CD2 4.28Å; F119-L123 HydrophobicContact CZ-CD2 4.45Å; F119-L123 WeakPolarHBondContact O-CB 3.43Å; F119-L123 PolarHBondContact O-N 3.1Å; F120-L123 HydrophobicContact CD1-CD2 4.34Å; F120-L123 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 3.08Å; L123-I127 HydrophobicContact CG-CD1 4.01Å; L123-I127 VanDerWaalsContact O-CG1 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.1Å; L123-I127 PolarHBondContact O-N 3.29Å |
| 124 | N | 97.1 | Very high | 97.3 | Very high | 92 Ų | 92 | 93.3 Ų | 93.3 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.7 | -176.7 | 64.6 | 0 | 0 | 0 | 111.6 | F120 D121 A126 I127 M128 | F120-N124 WeakPolarHBondContact O-CB 3.29Å; F120-N124 PolarHBondContact O-N 3.27Å; D121-N124 PolarHBondContact O-N 2.84Å; N124-A126 VanDerWaalsContact C-N 3.33Å; N124-A126 PolarHBondContact O-N 3.28Å; N124-I127 PolarHBondContact O-N 3.16Å; N124-M128 VanDerWaalsContact O-CG 3.31Å; N124-M128 WeakPolarHBondContact O-CG 3.43Å; N124-M128 PolarHBondContact O-N 3.35Å |
| 125 | E | 98.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.8 | -43.3 | 174.6 | 176.1 | 59.6 | -157 | 0 | 0 | 111.8 | D121 S122 I127 M128 R129 | D121-E125 PolarHBondContact O-N 2.87Å; S122-E125 PolarHBondContact O-N 3.45Å; E125-I127 PolarHBondContact O-N 3.42Å; E125-M128 PolarHBondContact O-N 2.57Å; E125-R129 WeakPolarHBondContact O-CG 2.98Å; E125-R129 PolarHBondContact O-N 3.17Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.48Å; E125-R129 IonicContact OE1-NE 2.92Å; E125-R129 PolarHBondContact OE1-NE 3.48Å; E125-R129 IonicContact OE1-NH2 2.71Å; E125-R129 PolarHBondContact OE1-NH2 2.85Å; E125-R129 VanDerWaalsContact OE1-NH2 3.11Å |
| 126 | A | 98.4 | Very high | 97.3 | Very high | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S122 L123 N124 R129 L130 | S122-A126 PolarHBondContact O-N 2.78Å; L123-A126 PolarHBondContact O-N 3.08Å; N124-A126 VanDerWaalsContact C-N 3.33Å; N124-A126 PolarHBondContact O-N 3.28Å; A126-R129 PolarHBondContact O-N 3.12Å; A126-L130 PolarHBondContact O-N 3.45Å |
| 127 | I | 97.8 | Very high | 97.3 | Very high | 82 Ų | 82 | 103.6 Ų | 103.6 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 175.7 | -69.6 | 165.6 | 0 | 0 | 0 | 110.6 | L123 N124 E125 R129 L130 V131 | L123-I127 HydrophobicContact CG-CD1 4.01Å; L123-I127 VanDerWaalsContact O-CG1 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.1Å; L123-I127 PolarHBondContact O-N 3.29Å; N124-I127 PolarHBondContact O-N 3.16Å; E125-I127 PolarHBondContact O-N 3.42Å; I127-R129 VanDerWaalsContact C-N 3.28Å; I127-R129 PolarHBondContact O-N 3.15Å; I127-L130 WeakPolarHBondContact O-CA 3.36Å; I127-L130 WeakPolarHBondContact O-CB 3.4Å; I127-L130 PolarHBondContact O-N 3.12Å; I127-L130 VanDerWaalsContact O-N 3.08Å; I127-V131 HydrophobicContact CG2-CG2 4.3Å; I127-V131 WeakPolarHBondContact O-CG2 3.27Å; I127-V131 PolarHBondContact O-N 3.45Å |
| 128 | M | 97.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 97.5 Ų | 97.5 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 179 | -70.7 | -57.5 | -66.9 | 0 | 0 | 112.1 | N124 E125 V131 A132 | N124-M128 VanDerWaalsContact O-CG 3.31Å; N124-M128 WeakPolarHBondContact O-CG 3.43Å; N124-M128 PolarHBondContact O-N 3.35Å; E125-M128 PolarHBondContact O-N 2.57Å; M128-V131 PolarHBondContact O-N 2.92Å; M128-A132 PolarHBondContact O-N 3.28Å |
| 129 | R | 97.9 | Very high | 97.3 | Very high | 166 Ų | 166 | 96.9 Ų | 96.9 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 172.8 | -67.5 | 180 | -173.5 | -152 | 0.8 | 112.4 | E125 A126 I127 V131 A132 V133 | E125-R129 WeakPolarHBondContact O-CG 2.98Å; E125-R129 PolarHBondContact O-N 3.17Å; E125-R129 VanDerWaalsContact O-N 3.13Å; E125-R129 IonicContact OE1-CZ 3.48Å; E125-R129 IonicContact OE1-NE 2.92Å; E125-R129 PolarHBondContact OE1-NE 3.48Å; E125-R129 IonicContact OE1-NH2 2.71Å; E125-R129 PolarHBondContact OE1-NH2 2.85Å; E125-R129 VanDerWaalsContact OE1-NH2 3.11Å; A126-R129 PolarHBondContact O-N 3.12Å; I127-R129 VanDerWaalsContact C-N 3.28Å; I127-R129 PolarHBondContact O-N 3.15Å; R129-V131 VanDerWaalsContact C-N 3.34Å; R129-A132 WeakPolarHBondContact O-CB 3.37Å; R129-A132 PolarHBondContact O-N 3.01Å; R129-V133 PolarHBondContact O-N 2.8Å; R129-V133 VanDerWaalsContact O-N 3.17Å |
| 130 | L | 97.7 | Very high | 97.3 | Very high | 111 Ų | 111 | 96.4 Ų | 96.4 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -43.6 | 173.9 | -173.3 | 107.6 | 0 | 0 | 0 | 111.2 | A126 I127 A132 V133 I134 | A126-L130 PolarHBondContact O-N 3.45Å; I127-L130 WeakPolarHBondContact O-CA 3.36Å; I127-L130 WeakPolarHBondContact O-CB 3.4Å; I127-L130 PolarHBondContact O-N 3.12Å; I127-L130 VanDerWaalsContact O-N 3.08Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.3Å; L130-V133 WeakPolarHBondContact O-CB 3.27Å; L130-V133 PolarHBondContact O-N 3.16Å; L130-V133 VanDerWaalsContact O-N 3.16Å; L130-I134 HydrophobicContact CD2-CD1 3.89Å; L130-I134 HydrophobicContact CG-CD1 4.26Å; L130-I134 WeakPolarHBondContact O-CG1 3.22Å; L130-I134 PolarHBondContact O-N 3.32Å |
| 131 | V | 97.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 93.9 Ų | 93.9 | 33% | 0.333 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | I127 M128 R129 V133 I134 M135 | I127-V131 HydrophobicContact CG2-CG2 4.3Å; I127-V131 WeakPolarHBondContact O-CG2 3.27Å; I127-V131 PolarHBondContact O-N 3.45Å; M128-V131 PolarHBondContact O-N 2.92Å; R129-V131 VanDerWaalsContact C-N 3.34Å; V131-V133 VanDerWaalsContact C-N 3.32Å; V131-V133 PolarHBondContact O-N 3.08Å; V131-I134 PolarHBondContact O-N 3.41Å; V131-M135 HydrophobicContact CG1-CE 4.11Å; V131-M135 HydrophobicContact CG1-CG 4.32Å; V131-M135 HydrophobicContact CG1-SD 4.4Å; V131-M135 WeakPolarHBondContact O-CG 3.38Å; V131-M135 PolarHBondContact O-N 2.79Å |
| 132 | A | 97.4 | Very high | 97.3 | Very high | 51 Ų | 51 | 93.7 Ų | 93.7 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M128 R129 L130 M135 W136 | M128-A132 PolarHBondContact O-N 3.28Å; R129-A132 WeakPolarHBondContact O-CB 3.37Å; R129-A132 PolarHBondContact O-N 3.01Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.3Å; A132-M135 HydrophobicContact CB-CE 4.33Å; A132-M135 PolarHBondContact O-N 3.08Å; A132-W136 PolarHBondContact O-N 2.86Å; A132-W136 VanDerWaalsContact O-N 3.13Å |
| 133 | V | 97.3 | Very high | 97.2 | Very high | 84 Ų | 84 | 94.8 Ų | 94.8 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.3 | 176 | 0 | 0 | 0 | 0 | 110.6 | R129 L130 V131 M135 W136 Y137 | R129-V133 PolarHBondContact O-N 2.8Å; R129-V133 VanDerWaalsContact O-N 3.17Å; L130-V133 WeakPolarHBondContact O-CB 3.27Å; L130-V133 PolarHBondContact O-N 3.16Å; L130-V133 VanDerWaalsContact O-N 3.16Å; V131-V133 VanDerWaalsContact C-N 3.32Å; V131-V133 PolarHBondContact O-N 3.08Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 PolarHBondContact O-N 3.35Å; V133-W136 WeakPolarHBondContact O-CB 3.46Å; V133-W136 PolarHBondContact O-N 3.07Å; V133-W136 VanDerWaalsContact O-N 3.12Å; V133-Y137 HydrophobicContact CG1-CD2 3.99Å; V133-Y137 HydrophobicContact CG1-CE2 3.6Å; V133-Y137 WeakPolarHBondContact O-CD2 3.43Å; V133-Y137 PolarHBondContact O-N 3.32Å |
| 134 | I | 96.4 | Very high | 97.1 | Very high | 102 Ų | 102 | 97.6 Ų | 97.6 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -40.7 | 178.7 | -64.2 | 166.7 | 0 | 0 | 0 | 111.1 | L130 V131 W136 Y137 A138 | L130-I134 HydrophobicContact CD2-CD1 3.89Å; L130-I134 HydrophobicContact CG-CD1 4.26Å; L130-I134 WeakPolarHBondContact O-CG1 3.22Å; L130-I134 PolarHBondContact O-N 3.32Å; V131-I134 PolarHBondContact O-N 3.41Å; I134-W136 VanDerWaalsContact C-N 3.28Å; I134-W136 PolarHBondContact O-N 3.44Å; I134-Y137 PolarHBondContact O-N 3.39Å; I134-Y137 VanDerWaalsContact O-N 3.15Å; I134-A138 PolarHBondContact O-N 2.94Å |
| 135 | M | 96.4 | Very high | 97.1 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 59% | 0.591 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -35.9 | 176.1 | -74.7 | -169.9 | -65.1 | 0 | 0 | 112.3 | V131 A132 V133 Y137 A138 P139 | V131-M135 HydrophobicContact CG1-CE 4.11Å; V131-M135 HydrophobicContact CG1-CG 4.32Å; V131-M135 HydrophobicContact CG1-SD 4.4Å; V131-M135 WeakPolarHBondContact O-CG 3.38Å; V131-M135 PolarHBondContact O-N 2.79Å; A132-M135 HydrophobicContact CB-CE 4.33Å; A132-M135 PolarHBondContact O-N 3.08Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 PolarHBondContact O-N 3.35Å; M135-Y137 VanDerWaalsContact C-N 3.32Å; M135-Y137 PolarHBondContact O-N 3.41Å; M135-A138 VanDerWaalsContact O-CB 3.3Å; M135-A138 WeakPolarHBondContact O-CB 3.49Å; M135-A138 PolarHBondContact O-N 3.22Å; M135-P139 WeakPolarHBondContact O-CD 3.29Å |
| 136 | W | 97.3 | Very high | 97 | Very high | 194 Ų | 194 | 99.3 Ų | 99.3 | 74% | 0.735 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.7 | -33.2 | 176 | -171.4 | 76.7 | 0 | 0 | 0 | 112.8 | A132 V133 I134 P139 | A132-W136 PolarHBondContact O-N 2.86Å; A132-W136 VanDerWaalsContact O-N 3.13Å; V133-W136 WeakPolarHBondContact O-CB 3.46Å; V133-W136 PolarHBondContact O-N 3.07Å; V133-W136 VanDerWaalsContact O-N 3.12Å; I134-W136 VanDerWaalsContact C-N 3.28Å; I134-W136 PolarHBondContact O-N 3.44Å; W136-P139 WeakPolarHBondContact O-CD 3.29Å |
| 137 | Y | 95.5 | Very high | 96.8 | Very high | 140 Ų | 140 | 98.7 Ų | 98.7 | 55% | 0.549 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80 | -16.7 | 173.8 | -70.3 | -74.2 | 0 | 0 | 0 | 113.7 | V133 I134 M135 P139 L140 G141 | V133-Y137 HydrophobicContact CG1-CD2 3.99Å; V133-Y137 HydrophobicContact CG1-CE2 3.6Å; V133-Y137 WeakPolarHBondContact O-CD2 3.43Å; V133-Y137 PolarHBondContact O-N 3.32Å; I134-Y137 PolarHBondContact O-N 3.39Å; I134-Y137 VanDerWaalsContact O-N 3.15Å; M135-Y137 VanDerWaalsContact C-N 3.32Å; M135-Y137 PolarHBondContact O-N 3.41Å; Y137-P139 VanDerWaalsContact C-CD 3.47Å; Y137-L140 PolarHBondContact O-N 2.96Å; Y137-G141 PolarHBondContact O-N 3.34Å |
| 138 | A | 97.1 | Very high | 96.7 | Very high | 38 Ų | 38 | 96.6 Ų | 96.6 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -40.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I134 M135 L140 G141 I142 | I134-A138 PolarHBondContact O-N 2.94Å; M135-A138 VanDerWaalsContact O-CB 3.3Å; M135-A138 WeakPolarHBondContact O-CB 3.49Å; M135-A138 PolarHBondContact O-N 3.22Å; A138-L140 VanDerWaalsContact C-N 3.26Å; A138-L140 PolarHBondContact O-N 2.86Å; A138-G141 PolarHBondContact O-N 3.19Å; A138-G141 VanDerWaalsContact O-N 3.09Å; A138-I142 HydrophobicContact CB-CD1 4.25Å; A138-I142 WeakPolarHBondContact O-CB 3.34Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.46Å; A138-I142 PolarHBondContact O-N 3.47Å |
| 139 | P | 96 | Very high | 96.4 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.1 | -38.5 | 179.6 | -25.7 | 35 | 0 | 0 | 0 | 113.2 | M135 W136 Y137 L143 | M135-P139 WeakPolarHBondContact O-CD 3.29Å; W136-P139 WeakPolarHBondContact O-CD 3.29Å; Y137-P139 VanDerWaalsContact C-CD 3.47Å; P139-L143 PolarHBondContact O-N 3.1Å; P139-L143 VanDerWaalsContact O-N 3.13Å |
| 140 | L | 97.4 | Very high | 96.1 | Very high | 107 Ų | 107 | 94.1 Ų | 94.1 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.1 | -44.6 | 176.6 | -174.4 | 63.4 | 0 | 0 | 0 | 111.1 | Y137 A138 L143 F144 | Y137-L140 PolarHBondContact O-N 2.96Å; A138-L140 VanDerWaalsContact C-N 3.26Å; A138-L140 PolarHBondContact O-N 2.86Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-F144 HydrophobicContact CD1-CD2 4.31Å; L140-F144 HydrophobicContact CD1-CE2 3.65Å; L140-F144 HydrophobicContact CG-CD2 4.3Å; L140-F144 HydrophobicContact CG-CE2 3.93Å; L140-F144 WeakPolarHBondContact O-CD2 3.28Å; L140-F144 PolarHBondContact O-N 3.24Å |
| 141 | G | 96.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 96 Ų | 96 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y137 A138 L143 F144 L145 | Y137-G141 PolarHBondContact O-N 3.34Å; A138-G141 PolarHBondContact O-N 3.19Å; A138-G141 VanDerWaalsContact O-N 3.09Å; G141-L143 VanDerWaalsContact C-N 3.33Å; G141-L143 PolarHBondContact O-N 3.45Å; G141-F144 PolarHBondContact O-N 3.37Å; G141-L145 VanDerWaalsContact O-CG 3.31Å; G141-L145 WeakPolarHBondContact O-CG 3.45Å; G141-L145 PolarHBondContact O-N 2.86Å |
| 142 | I | 96.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 99.6 Ų | 99.6 | 46% | 0.462 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 178.3 | -67.3 | 163.5 | 0 | 0 | 0 | 110.8 | A138 F144 L145 I146 | A138-I142 HydrophobicContact CB-CD1 4.25Å; A138-I142 WeakPolarHBondContact O-CB 3.34Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.46Å; A138-I142 PolarHBondContact O-N 3.47Å; I142-F144 PolarHBondContact O-N 2.88Å; I142-L145 PolarHBondContact O-N 3.13Å; I142-I146 HydrophobicContact CG2-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.31Å; I142-I146 PolarHBondContact O-N 3.37Å |
| 143 | L | 97.1 | Very high | 94.9 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.3 | -48.6 | 176.3 | -174.6 | 155.6 | 0 | 0 | 0 | 111.6 | P139 L140 G141 A147 | P139-L143 PolarHBondContact O-N 3.1Å; P139-L143 VanDerWaalsContact O-N 3.13Å; L140-L143 PolarHBondContact O-N 3.43Å; G141-L143 VanDerWaalsContact C-N 3.33Å; G141-L143 PolarHBondContact O-N 3.45Å; L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 3.08Å |
| 144 | F | 96.8 | Very high | 93.9 | Very high | 136 Ų | 136 | 107.7 Ų | 107.7 | 60% | 0.596 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.1 | -36.2 | 178.6 | -72.6 | -68.4 | 0 | 0 | 0 | 113 | L140 G141 I142 G148 | L140-F144 HydrophobicContact CD1-CD2 4.31Å; L140-F144 HydrophobicContact CD1-CE2 3.65Å; L140-F144 HydrophobicContact CG-CD2 4.3Å; L140-F144 HydrophobicContact CG-CE2 3.93Å; L140-F144 WeakPolarHBondContact O-CD2 3.28Å; L140-F144 PolarHBondContact O-N 3.24Å; G141-F144 PolarHBondContact O-N 3.37Å; I142-F144 PolarHBondContact O-N 2.88Å; F144-G148 PolarHBondContact O-N 3.21Å |
| 145 | L | 96.6 | Very high | 92.8 | Very high | 126 Ų | 126 | 108.4 Ų | 108.4 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -43.4 | 175.8 | -73 | 173.7 | 0 | 0 | 0 | 111.8 | G141 I142 G148 K149 | G141-L145 VanDerWaalsContact O-CG 3.31Å; G141-L145 WeakPolarHBondContact O-CG 3.45Å; G141-L145 PolarHBondContact O-N 2.86Å; I142-L145 PolarHBondContact O-N 3.13Å; L145-G148 PolarHBondContact O-N 3.43Å; L145-K149 WeakPolarHBondContact O-CB 3.18Å; L145-K149 WeakPolarHBondContact O-CG 3.5Å; L145-K149 PolarHBondContact O-N 3.46Å |
| 146 | I | 95.5 | Very high | 91.1 | Very high | 96 Ų | 96 | 108.6 Ų | 108.6 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -49.1 | 177.2 | -67.8 | 169.7 | 0 | 0 | 0 | 110.3 | I142 G148 K149 I150 | I142-I146 HydrophobicContact CG2-CD1 3.66Å; I142-I146 HydrophobicContact CG2-CG1 4.25Å; I142-I146 VanDerWaalsContact O-CG1 3.31Å; I142-I146 WeakPolarHBondContact O-CG1 3.31Å; I142-I146 PolarHBondContact O-N 3.37Å; I146-G148 VanDerWaalsContact C-N 3.3Å; I146-G148 PolarHBondContact O-N 3.28Å; I146-K149 PolarHBondContact O-N 2.91Å; I146-I150 HydrophobicContact CG2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CG1 4.4Å; I146-I150 WeakPolarHBondContact O-CG1 3.43Å; I146-I150 PolarHBondContact O-N 3.25Å |
| 147 | A | 95 | Very high | 89.5 | Confident | 44 Ų | 44 | 102.5 Ų | 102.5 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.5 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L143 I150 L151 | L143-A147 WeakPolarHBondContact O-CB 3.33Å; L143-A147 PolarHBondContact O-N 3.08Å; A147-I150 PolarHBondContact O-N 3.32Å; A147-L151 WeakPolarHBondContact O-CG 3.45Å; A147-L151 PolarHBondContact O-N 3.23Å |
| 148 | G | 94.5 | Very high | 87.6 | Confident | 38 Ų | 38 | 101.8 Ų | 101.8 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.7 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | F144 L145 I146 L151 E152 | F144-G148 PolarHBondContact O-N 3.21Å; L145-G148 PolarHBondContact O-N 3.43Å; I146-G148 VanDerWaalsContact C-N 3.3Å; I146-G148 PolarHBondContact O-N 3.28Å; G148-L151 PolarHBondContact O-N 3.35Å; G148-E152 WeakPolarHBondContact O-CB 3.3Å; G148-E152 PolarHBondContact O-N 3.49Å |
| 149 | K | 92 | Very high | 85.2 | Confident | 126 Ų | 126 | 110.8 Ų | 110.8 | 55% | 0.548 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.5 | -38.3 | 177.3 | -77.5 | -69.9 | 170.4 | -159.6 | 0 | 113 | L145 I146 L151 E152 M153 | L145-K149 WeakPolarHBondContact O-CB 3.18Å; L145-K149 WeakPolarHBondContact O-CG 3.5Å; L145-K149 PolarHBondContact O-N 3.46Å; I146-K149 PolarHBondContact O-N 2.91Å; K149-L151 VanDerWaalsContact C-N 3.34Å; K149-E152 IonicContact NZ-OE1 2.79Å; K149-E152 IonicContact NZ-OE2 3.91Å; K149-E152 PolarHBondContact NZ-OE2 2.86Å; K149-E152 PolarHBondContact O-N 3.34Å; K149-M153 VanDerWaalsContact O-CG 3.27Å; K149-M153 WeakPolarHBondContact O-CG 3.41Å; K149-M153 PolarHBondContact O-N 3.35Å |
| 150 | I | 90.7 | Very high | 84.6 | Confident | 93 Ų | 93 | 112 Ų | 112 | 48% | 0.477 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -40.8 | 174.3 | -67.1 | 168.9 | 0 | 0 | 0 | 110.7 | I146 A147 E152 M153 | I146-I150 HydrophobicContact CG2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CG1 4.4Å; I146-I150 WeakPolarHBondContact O-CG1 3.43Å; I146-I150 PolarHBondContact O-N 3.25Å; A147-I150 PolarHBondContact O-N 3.32Å; I150-E152 VanDerWaalsContact C-N 3.31Å; I150-E152 PolarHBondContact O-N 3.34Å; I150-M153 PolarHBondContact O-N 2.96Å |
| 151 | L | 91.6 | Very high | 83.9 | Confident | 151 Ų | 151 | 112.2 Ų | 112.2 | 79% | 0.791 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.3 | -29.6 | 176.6 | -72.2 | 173.2 | 0 | 0 | 0 | 113.5 | A147 G148 K149 M153 | A147-L151 WeakPolarHBondContact O-CG 3.45Å; A147-L151 PolarHBondContact O-N 3.23Å; G148-L151 PolarHBondContact O-N 3.35Å; K149-L151 VanDerWaalsContact C-N 3.34Å; L151-M153 VanDerWaalsContact C-N 3.33Å |
| 152 | E | 90.9 | Very high | 83.2 | Confident | 129 Ų | 129 | 116.6 Ų | 116.6 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.7 | -23.8 | 176.4 | -170.5 | -179.6 | -175.3 | 0 | 0 | 112.3 | G148 K149 I150 E154 | G148-E152 WeakPolarHBondContact O-CB 3.3Å; G148-E152 PolarHBondContact O-N 3.49Å; K149-E152 IonicContact NZ-OE1 2.79Å; K149-E152 IonicContact NZ-OE2 3.91Å; K149-E152 PolarHBondContact NZ-OE2 2.86Å; K149-E152 PolarHBondContact O-N 3.34Å; I150-E152 VanDerWaalsContact C-N 3.31Å; I150-E152 PolarHBondContact O-N 3.34Å; E152-E154 PolarHBondContact O-N 3.23Å |
| 153 | M | 86.8 | Confident | 82.5 | Confident | 106 Ų | 106 | 118.2 Ų | 118.2 | 52% | 0.522 | 63% | 0.633 | S | S | . | * | trans | -78.6 | 107.2 | 179.4 | -69.6 | 172.6 | 74 | 0 | 0 | 110.2 | K149 I150 L151 M156 | K149-M153 VanDerWaalsContact O-CG 3.27Å; K149-M153 WeakPolarHBondContact O-CG 3.41Å; K149-M153 PolarHBondContact O-N 3.35Å; I150-M153 PolarHBondContact O-N 2.96Å; L151-M153 VanDerWaalsContact C-N 3.33Å; M153-M156 HydrophobicContact CB-SD 4.34Å; M153-M156 HydrophobicContact CE-SD 3.57Å; M153-M156 VanDerWaalsContact CE-SD 3.57Å; M153-M156 HydrophobicContact SD-SD 4.25Å | ||
| 154 | E | 74.8 | Confident | 81.5 | Confident | 200 Ų | 200 | 119 Ų | 119 | 94% | 0.935 | 64% | 0.638 | S | S | * | * | trans | -77.6 | -14.7 | -176.5 | -68.1 | -175.6 | 158 | 0 | 0 | 114.2 | E152 | E152-E154 PolarHBondContact O-N 3.23Š| ||
| 155 | D | 72.9 | Confident | 80.5 | Confident | 117 Ų | 117 | 117.9 Ų | 117.9 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | trans | -138.9 | 99.8 | -176.1 | -145.9 | -12.3 | 0 | 0 | 0 | 112.3 | ||||
| 156 | M | 62.4 | Low | 79.4 | Confident | 124 Ų | 124 | 117.3 Ų | 117.3 | 61% | 0.611 | 64% | 0.64 | S | S | * | * | trans | -108.2 | 7.1 | 175.3 | -65.4 | -78.1 | -84.6 | 0 | 0 | 111.5 | M153 | M153-M156 HydrophobicContact CB-SD 4.34Å; M153-M156 HydrophobicContact CE-SD 3.57Å; M153-M156 VanDerWaalsContact CE-SD 3.57Å; M153-M156 HydrophobicContact SD-SD 4.25Å | ||
| 157 | G | 62.8 | Low | 78.1 | Confident | 65 Ų | 65 | 118.9 Ų | 118.9 | 67% | 0.67 | 65% | 0.651 | S | S | * | * | trans | -113.1 | -0.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 158 | V | 55.3 | Low | 76.7 | Confident | 126 Ų | 126 | 125.2 Ų | 125.2 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | trans | -100.5 | 81.9 | 173.6 | -171.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 159 | I | 46.1 | Very low | 75.1 | Confident | 227 Ų | 227 | 133.1 Ų | 133.1 | 100% | 1.164 | 70% | 0.701 | S | S | * | * | trans | -121.9 | 0 | 161.1 | -49.1 | 173.7 | 0 | 0 | 0 | 107 |
Retrieved 159 of 159 residues in 559.2 ms
(Link to these results)