| 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 | 56.5 | Low | 87.7 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 67% | 0.665 | 28% | 0.279 | S | S | * | . | 0 | 89.7 | 0 | -173.9 | -171.5 | -120 | 0 | 0 | 108.5 | L4 C20 V23 | M1-L4 HydrophobicContact SD-CD1 3.64Å; M1-L4 HydrophobicContact SD-CG 4.04Å; M1-C20 HydrophobicContact CE-CB 3.44Å; M1-C20 VanDerWaalsContact CE-CB 3.44Å; M1-C20 WeakPolarHBondContact CE-SG 3.39Å; M1-C20 HydrophobicContact SD-CB 3.93Å; M1-V23 HydrophobicContact CE-CG2 3.73Å | |||
| 2 | H | 77.6 | Confident | 88.2 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 33% | 0.333 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.6 | -28.3 | -171.3 | -77.5 | -97.5 | 0 | 0 | 0 | 113.5 | L4 V5 S6 | H2-L4 PolarHBondContact O-N 3.21Å; H2-V5 PolarHBondContact O-N 2.96Å; H2-V5 VanDerWaalsContact O-N 3.09Å; H2-S6 WeakPolarHBondContact O-CB 3.47Å; H2-S6 PolarHBondContact O-N 3.5Å; H2-S6 PolarHBondContact O-OG 3.22Å; H2-S6 VanDerWaalsContact O-OG 3.08Å |
| 3 | V | 87.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.1 | -49.3 | -176.1 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | V5 S6 L7 I58 L77 | V3-V5 VanDerWaalsContact C-N 3.32Å; V3-V5 PolarHBondContact O-N 3.47Å; V3-S6 PolarHBondContact O-N 3.21Å; V3-L7 HydrophobicContact CG1-CD1 3.93Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-L7 WeakPolarHBondContact O-CB 3.44Å; V3-L7 VanDerWaalsContact O-CG 3.25Å; V3-L7 WeakPolarHBondContact O-CG 3.37Å; V3-L7 PolarHBondContact O-N 3.37Å; V3-I58 HydrophobicContact CG1-CD1 3.75Å; V3-I58 HydrophobicContact CG1-CG1 4.28Å; V3-L77 HydrophobicContact CG1-CD1 4.01Å |
| 4 | L | 91.7 | Very high | 88.9 | Confident | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 178.8 | -70.8 | -178.3 | 0 | 0 | 0 | 113.1 | M1 H2 L7 R8 A18 C20 | M1-L4 HydrophobicContact SD-CD1 3.64Å; M1-L4 HydrophobicContact SD-CG 4.04Å; H2-L4 PolarHBondContact O-N 3.21Å; L4-L7 HydrophobicContact CD2-CD1 4.45Å; L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 WeakPolarHBondContact O-CD 3.43Å; L4-R8 WeakPolarHBondContact O-CG 3.35Å; L4-R8 PolarHBondContact O-N 3.06Å; L4-R8 VanDerWaalsContact O-N 3.07Å; L4-A18 HydrophobicContact CD2-CB 3.95Å; L4-A18 WeakPolarHBondContact CD2-O 3.11Å; L4-C20 HydrophobicContact CD1-CB 3.93Å; L4-C20 HydrophobicContact CD2-CB 3.88Å; L4-C20 HydrophobicContact CG-CB 3.77Å |
| 5 | V | 90.6 | Very high | 89.2 | Confident | 71 Ų | 71 | 57 Ų | 57 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.1 | -47.3 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | H2 V3 L7 R8 L9 | H2-V5 PolarHBondContact O-N 2.96Å; H2-V5 VanDerWaalsContact O-N 3.09Å; V3-V5 VanDerWaalsContact C-N 3.32Å; V3-V5 PolarHBondContact O-N 3.47Å; V5-L7 PolarHBondContact O-N 3.31Å; V5-R8 PolarHBondContact O-N 2.93Å; V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.92Å |
| 6 | S | 90.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 175.4 | -61.8 | 0 | 0 | 0 | 0 | 111 | H2 V3 R8 L9 G10 G80 Y81 | H2-S6 WeakPolarHBondContact O-CB 3.47Å; H2-S6 PolarHBondContact O-N 3.5Å; H2-S6 PolarHBondContact O-OG 3.22Å; H2-S6 VanDerWaalsContact O-OG 3.08Å; V3-S6 PolarHBondContact O-N 3.21Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 2.95Å; S6-L9 PolarHBondContact O-N 2.86Å; S6-G10 PolarHBondContact O-N 3Å; S6-G80 VanDerWaalsContact O-CA 3.23Å; S6-G80 WeakPolarHBondContact O-CA 3.36Å; S6-Y81 WeakPolarHBondContact OG-CA 3.43Å |
| 7 | L | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.1 | -46 | 176.9 | -72.2 | 173.1 | 0 | 0 | 0 | 112.1 | V3 L4 V5 L9 G10 N11 T15 I58 F73 I76 L77 | V3-L7 HydrophobicContact CG1-CD1 3.93Å; V3-L7 HydrophobicContact CG1-CG 4.33Å; V3-L7 WeakPolarHBondContact O-CB 3.44Å; V3-L7 VanDerWaalsContact O-CG 3.25Å; V3-L7 WeakPolarHBondContact O-CG 3.37Å; V3-L7 PolarHBondContact O-N 3.37Å; L4-L7 HydrophobicContact CD2-CD1 4.45Å; V5-L7 PolarHBondContact O-N 3.31Å; L7-L9 PolarHBondContact O-N 2.95Å; L7-G10 PolarHBondContact O-N 3.49Å; L7-N11 PolarHBondContact O-N 3.19Å; L7-T15 HydrophobicContact CB-CG2 3.88Å; L7-T15 HydrophobicContact CD2-CG2 4.41Å; L7-T15 PolarHBondContact O-OG1 2.93Å; L7-I58 HydrophobicContact CD1-CD1 4.45Å; L7-I58 HydrophobicContact CD1-CG1 4.47Å; L7-I58 HydrophobicContact CD1-CG2 3.68Å; L7-F73 HydrophobicContact CD1-CE2 4.36Å; L7-F73 HydrophobicContact CD1-CZ 4.18Å; L7-F73 HydrophobicContact CD2-CD2 4.45Å; L7-F73 HydrophobicContact CD2-CE1 4.48Å; L7-F73 HydrophobicContact CD2-CE2 3.77Å; L7-F73 HydrophobicContact CD2-CZ 3.78Å; L7-I76 HydrophobicContact CD2-CG2 3.99Å; L7-L77 HydrophobicContact CD2-CB 4.11Å; L7-L77 HydrophobicContact CD2-CD1 4.25Å; L7-L77 HydrophobicContact CG-CD1 4.21Å |
| 8 | R | 94.3 | Very high | 89.8 | Confident | 118 Ų | 118 | 61.1 Ų | 61.1 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 178.6 | -74.8 | 171.7 | 178.6 | 170.9 | 2.2 | 113.6 | L4 V5 S6 P12 T15 K16 | L4-R8 WeakPolarHBondContact O-CB 3.3Å; L4-R8 WeakPolarHBondContact O-CD 3.43Å; L4-R8 WeakPolarHBondContact O-CG 3.35Å; L4-R8 PolarHBondContact O-N 3.06Å; L4-R8 VanDerWaalsContact O-N 3.07Å; V5-R8 PolarHBondContact O-N 2.93Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 2.95Å; R8-P12 WeakPolarHBondContact O-CA 3.42Å; R8-P12 VanDerWaalsContact O-CB 3.28Å; R8-P12 WeakPolarHBondContact O-CB 3.33Å; R8-P12 WeakPolarHBondContact O-CD 3.42Å; R8-P12 VanDerWaalsContact O-N 3.16Å; R8-T15 VanDerWaalsContact CA-OG1 3.23Å; R8-T15 WeakPolarHBondContact CA-OG1 3.44Å; R8-T15 PolarHBondContact N-OG1 3.39Å; R8-K16 PolarHBondContact NE-O 3Å |
| 9 | L | 93.2 | Very high | 90 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -73 | -37.8 | 176 | -69.1 | 173.9 | 0 | 0 | 0 | 111.8 | V5 S6 L7 Q83 A84 | V5-L9 HydrophobicContact CG1-CD1 3.98Å; V5-L9 HydrophobicContact CG1-CG 4.44Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.92Å; S6-L9 PolarHBondContact O-N 2.86Å; L7-L9 PolarHBondContact O-N 2.95Å; L9-Q83 HydrophobicContact CB-CB 4.32Å; L9-Q83 HydrophobicContact CD1-CB 4.39Å; L9-Q83 PolarHBondContact O-OE1 2.92Å; L9-A84 HydrophobicContact CD1-CB 3.88Å |
| 10 | G | 93.8 | Very high | 90.2 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.4 | -42.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | S6 L7 I76 | S6-G10 PolarHBondContact O-N 3Å; L7-G10 PolarHBondContact O-N 3.49Å; G10-I76 WeakPolarHBondContact CA-O 3.49Å |
| 11 | N | 94.8 | Very high | 90.3 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | trans | -153.3 | 89.1 | 175.1 | -171.1 | -32.4 | 0 | 0 | 0 | 110.6 | L7 H13 I14 T15 I76 | L7-N11 PolarHBondContact O-N 3.19Å; N11-H13 PolarHBondContact O-N 2.83Å; N11-H13 PolarHBondContact OD1-N 3.23Å; N11-I14 WeakPolarHBondContact ND2-CD1 3.32Å; N11-I14 PolarHBondContact O-N 3.17Å; N11-I14 PolarHBondContact OD1-N 3.12Å; N11-I14 VanDerWaalsContact OD1-N 3.12Å; N11-T15 WeakPolarHBondContact O-CB 3.34Å; N11-T15 WeakPolarHBondContact O-CG2 3.29Å; N11-T15 PolarHBondContact O-N 3.43Å; N11-T15 VanDerWaalsContact O-N 3.17Å; N11-T15 PolarHBondContact O-OG1 3.49Å; N11-I76 HydrophobicContact CB-CB 4.46Å; N11-I76 HydrophobicContact CB-CD1 3.91Å; N11-I76 HydrophobicContact CB-CG1 3.86Å; N11-I76 HydrophobicContact CB-CG2 3.79Å | ||
| 12 | P | 93.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 61.9 Ų | 61.9 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -23.8 | -176 | 23.7 | -32.7 | 0 | 0 | 0 | 112.9 | R8 K16 | R8-P12 WeakPolarHBondContact O-CA 3.42Å; R8-P12 VanDerWaalsContact O-CB 3.28Å; R8-P12 WeakPolarHBondContact O-CB 3.33Å; R8-P12 WeakPolarHBondContact O-CD 3.42Å; R8-P12 VanDerWaalsContact O-N 3.16Å; P12-K16 WeakPolarHBondContact O-CB 3.35Å; P12-K16 PolarHBondContact O-N 2.96Å |
| 13 | H | 93.1 | Very high | 92.8 | Very high | 164 Ų | 164 | 61.1 Ų | 61.1 | 76% | 0.759 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.4 | -42.4 | -178.2 | -69.2 | -66.9 | 0 | 0 | 0 | 112.5 | N11 | N11-H13 PolarHBondContact O-N 2.83Å; N11-H13 PolarHBondContact OD1-N 3.23Å |
| 14 | I | 93.2 | Very high | 93.1 | Very high | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -84.6 | -28.7 | -178.4 | -59.6 | 176.3 | 0 | 0 | 0 | 111.7 | N11 L60 S62 N64 A65 L68 | N11-I14 WeakPolarHBondContact ND2-CD1 3.32Å; N11-I14 PolarHBondContact O-N 3.17Å; N11-I14 PolarHBondContact OD1-N 3.12Å; N11-I14 VanDerWaalsContact OD1-N 3.12Å; I14-L60 HydrophobicContact CG2-CD1 4.38Å; I14-S62 WeakPolarHBondContact O-CB 3.45Å; I14-N64 HydrophobicContact CD1-CB 4.49Å; I14-N64 HydrophobicContact CG1-CB 4.34Å; I14-A65 HydrophobicContact CG2-CB 3.85Å; I14-L68 HydrophobicContact CD1-CD1 4.28Å; I14-L68 HydrophobicContact CD1-CD2 4.17Å; I14-L68 HydrophobicContact CD1-CG 4.38Å; I14-L68 HydrophobicContact CG2-CD1 3.61Å |
| 15 | T | 93.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -108.1 | 4.3 | -168.8 | 68.6 | 0 | 0 | 0 | 0 | 114.4 | L7 R8 N11 D17 A18 L60 I76 | L7-T15 HydrophobicContact CB-CG2 3.88Å; L7-T15 HydrophobicContact CD2-CG2 4.41Å; L7-T15 PolarHBondContact O-OG1 2.93Å; R8-T15 VanDerWaalsContact CA-OG1 3.23Å; R8-T15 WeakPolarHBondContact CA-OG1 3.44Å; R8-T15 PolarHBondContact N-OG1 3.39Å; N11-T15 WeakPolarHBondContact O-CB 3.34Å; N11-T15 WeakPolarHBondContact O-CG2 3.29Å; N11-T15 PolarHBondContact O-N 3.43Å; N11-T15 VanDerWaalsContact O-N 3.17Å; N11-T15 PolarHBondContact O-OG1 3.49Å; T15-D17 VanDerWaalsContact C-N 3.29Å; T15-D17 PolarHBondContact O-N 3.21Å; T15-A18 WeakPolarHBondContact O-CB 3.44Å; T15-A18 PolarHBondContact O-N 3.23Å; T15-L60 HydrophobicContact CG2-CD2 4.19Å; T15-I76 HydrophobicContact CG2-CG2 4.05Å |
| 16 | K | 91.4 | Very high | 93.3 | Very high | 140 Ų | 140 | 68 Ų | 68 | 61% | 0.609 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | -53 | -177.1 | -171.2 | 179.7 | 175.4 | -174.4 | 0 | 112.9 | R8 P12 | R8-K16 PolarHBondContact NE-O 3Å; P12-K16 WeakPolarHBondContact O-CB 3.35Å; P12-K16 PolarHBondContact O-N 2.96Å |
| 17 | D | 93 | Very high | 93.4 | Very high | 100 Ų | 100 | 73.3 Ų | 73.3 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 18.7 | -175.8 | -56.3 | -49.8 | 0 | 0 | 0 | 112.5 | T15 K19 V61 | T15-D17 VanDerWaalsContact C-N 3.29Å; T15-D17 PolarHBondContact O-N 3.21Å; D17-K19 PolarHBondContact O-N 3.25Å; D17-V61 HydrophobicContact CB-CB 4.21Å; D17-V61 HydrophobicContact CB-CG2 4.37Å; D17-V61 WeakPolarHBondContact O-CG2 3.33Å |
| 18 | A | 93.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 75.4 Ų | 75.4 | 4% | 0.041 | 39% | 0.393 | C | S | . | . | trans | -58.9 | 138.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L4 T15 Q59 L60 | L4-A18 HydrophobicContact CD2-CB 3.95Å; L4-A18 WeakPolarHBondContact CD2-O 3.11Å; T15-A18 WeakPolarHBondContact O-CB 3.44Å; T15-A18 PolarHBondContact O-N 3.23Å; A18-Q59 WeakPolarHBondContact CA-O 3.22Å; A18-L60 HydrophobicContact CB-CD2 3.7Å | ||
| 19 | K | 94.2 | Very high | 92.8 | Very high | 115 Ų | 115 | 74.8 Ų | 74.8 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.5 | 176.2 | -61.5 | 179.5 | -177.7 | 175.3 | 0 | 109.4 | D17 Q21 I58 Q59 | D17-K19 PolarHBondContact O-N 3.25Å; K19-Q21 HydrophobicContact CB-CG 4.36Å; K19-I58 WeakPolarHBondContact O-CA 3.28Å; K19-Q59 HydrophobicContact CB-CB 4.37Å; K19-Q59 PolarHBondContact N-O 2.95Å; K19-Q59 PolarHBondContact O-N 2.88Å |
| 20 | C | 93.1 | Very high | 92.3 | Very high | 22 Ų | 22 | 74 Ų | 74 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.6 | 173.3 | 180 | 0 | 0 | 0 | 0 | 108.1 | M1 L4 S56 D57 I58 | M1-C20 HydrophobicContact CE-CB 3.44Å; M1-C20 VanDerWaalsContact CE-CB 3.44Å; M1-C20 WeakPolarHBondContact CE-SG 3.39Å; M1-C20 HydrophobicContact SD-CB 3.93Å; L4-C20 HydrophobicContact CD1-CB 3.93Å; L4-C20 HydrophobicContact CD2-CB 3.88Å; L4-C20 HydrophobicContact CG-CB 3.77Å; C20-S56 WeakPolarHBondContact SG-CB 3.49Å; C20-D57 CarbonylContact C-O 3.6Å; C20-D57 WeakPolarHBondContact CA-O 3.38Å; C20-I58 HydrophobicContact CB-CD1 3.61Å; C20-I58 VanDerWaalsContact SG-CD1 3.52Å |
| 21 | Q | 93.5 | Very high | 91.6 | Very high | 85 Ų | 85 | 78.3 Ų | 78.3 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 167.6 | -170.6 | -53.8 | -173.2 | 48.7 | 0 | 0 | 109.7 | K19 V23 D57 Q59 | K19-Q21 HydrophobicContact CB-CG 4.36Å; Q21-V23 PolarHBondContact O-N 3.26Å; Q21-V23 VanDerWaalsContact O-N 3.11Å; Q21-D57 PolarHBondContact N-O 3.2Å; Q21-D57 PolarHBondContact O-N 2.91Å; Q21-Q59 VanDerWaalsContact NE2-OE1 3.11Å |
| 22 | N | 93 | Very high | 90.4 | Very high | 113 Ų | 113 | 80.9 Ų | 80.9 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.2 | 41.4 | 175.6 | -57.3 | -30.1 | 0 | 0 | 0 | 113.6 | V24 D57 | N22-V24 PolarHBondContact O-N 2.93Å; N22-D57 WeakPolarHBondContact CB-OD2 3.32Å; N22-D57 PolarHBondContact ND2-OD2 3.29Å |
| 23 | V | 92.9 | Very high | 89.1 | Confident | 55 Ų | 55 | 87 Ų | 87 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 118.1 | -177.8 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | M1 Q21 F25 S55 | M1-V23 HydrophobicContact CE-CG2 3.73Å; Q21-V23 PolarHBondContact O-N 3.26Å; Q21-V23 VanDerWaalsContact O-N 3.11Å; V23-F25 HydrophobicContact CG1-CD2 4.21Å; V23-F25 HydrophobicContact CG1-CE1 4.21Å; V23-F25 HydrophobicContact CG1-CE2 3.49Å; V23-F25 VanDerWaalsContact CG1-CE2 3.49Å; V23-F25 HydrophobicContact CG1-CZ 3.49Å; V23-F25 VanDerWaalsContact CG1-CZ 3.49Å; V23-S55 CarbonylContact C-O 3.57Å; V23-S55 VanDerWaalsContact CA-O 3.31Å; V23-S55 WeakPolarHBondContact CA-O 3.17Å |
| 24 | V | 94.1 | Very high | 87.4 | Confident | 76 Ų | 76 | 84.4 Ų | 84.4 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.6 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | N22 A54 S55 | N22-V24 PolarHBondContact O-N 2.93Å; V24-A54 WeakPolarHBondContact O-CA 3.08Å; V24-S55 PolarHBondContact N-O 3.26Å; V24-S55 PolarHBondContact O-N 3.44Å |
| 25 | F | 93.1 | Very high | 85.6 | Confident | 138 Ų | 138 | 93 Ų | 93 | 61% | 0.605 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.9 | 173.4 | -63.2 | -77.7 | 0 | 0 | 0 | 108.9 | V23 V52 Q53 A54 | V23-F25 HydrophobicContact CG1-CD2 4.21Å; V23-F25 HydrophobicContact CG1-CE1 4.21Å; V23-F25 HydrophobicContact CG1-CE2 3.49Å; V23-F25 VanDerWaalsContact CG1-CE2 3.49Å; V23-F25 HydrophobicContact CG1-CZ 3.49Å; V23-F25 VanDerWaalsContact CG1-CZ 3.49Å; F25-V52 HydrophobicContact CB-CG1 3.76Å; F25-V52 HydrophobicContact CD1-CG1 3.69Å; F25-V52 HydrophobicContact CG-CG1 4.18Å; F25-Q53 WeakPolarHBondContact CA-O 3.39Å; F25-A54 HydrophobicContact CD1-CB 3.76Å; F25-A54 HydrophobicContact CE1-CB 3.73Å |
| 26 | T | 93.1 | Very high | 83.8 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.7 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 108.9 | V28 Q53 | T26-V28 PolarHBondContact O-N 2.71Å; T26-Q53 PolarHBondContact N-O 2.85Å; T26-Q53 PolarHBondContact O-N 3.11Å |
| 27 | P | 92.2 | Very high | 81.8 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 73% | 0.727 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 134 | 172.4 | 28.2 | -33.1 | 0 | 0 | 0 | 109.4 | ||
| 28 | V | 89.9 | Confident | 80 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 26% | 0.261 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.9 | 179.5 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | T26 I30 G51 Q53 | T26-V28 PolarHBondContact O-N 2.71Å; V28-I30 HydrophobicContact CG2-CG1 4.26Å; V28-G51 PolarHBondContact N-O 2.98Å; V28-G51 PolarHBondContact O-N 2.87Å; V28-Q53 HydrophobicContact CG1-CB 3.8Å; V28-Q53 HydrophobicContact CG2-CB 4.23Å |
| 29 | I | 87.5 | Confident | 78.2 | Confident | 105 Ų | 105 | 106.1 Ų | 106.1 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.4 | 168.8 | -59.2 | 176.4 | 0 | 0 | 0 | 107.1 | F31 | I29-F31 HydrophobicContact CB-CE2 4.07Å; I29-F31 HydrophobicContact CB-CZ 4.24Å; I29-F31 HydrophobicContact CG2-CD1 4.46Å; I29-F31 HydrophobicContact CG2-CD2 4.24Å; I29-F31 HydrophobicContact CG2-CE1 3.97Å; I29-F31 HydrophobicContact CG2-CE2 3.72Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å |
| 30 | I | 81.4 | Confident | 76.7 | Confident | 53 Ų | 53 | 108.1 Ų | 108.1 | 27% | 0.272 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.3 | 175.4 | -57.3 | 173.2 | 0 | 0 | 0 | 107.5 | V28 Y32 S48 T49 | V28-I30 HydrophobicContact CG2-CG1 4.26Å; I30-Y32 HydrophobicContact CG2-CE1 4.36Å; I30-S48 CarbonylContact O-C 3.56Å; I30-S48 VanDerWaalsContact O-CA 3.29Å; I30-S48 WeakPolarHBondContact O-CA 3.47Å; I30-T49 HydrophobicContact CB-CG2 3.93Å; I30-T49 HydrophobicContact CD1-CG2 4.37Å; I30-T49 PolarHBondContact N-O 2.84Å; I30-T49 PolarHBondContact O-N 3.4Å |
| 31 | F | 78.6 | Confident | 75.3 | Confident | 113 Ų | 113 | 112.1 Ų | 112.1 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.8 | 176.6 | -65.5 | -84.3 | 0 | 0 | 0 | 110.5 | I29 Y33 | I29-F31 HydrophobicContact CB-CE2 4.07Å; I29-F31 HydrophobicContact CB-CZ 4.24Å; I29-F31 HydrophobicContact CG2-CD1 4.46Å; I29-F31 HydrophobicContact CG2-CD2 4.24Å; I29-F31 HydrophobicContact CG2-CE1 3.97Å; I29-F31 HydrophobicContact CG2-CE2 3.72Å; I29-F31 HydrophobicContact CG2-CZ 3.58Å; F31-Y33 HydrophobicContact CB-CE2 4.26Å |
| 32 | Y | 71.5 | Confident | 73.5 | Confident | 95 Ų | 95 | 110.4 Ų | 110.4 | 37% | 0.373 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 102.2 | 167 | -56.1 | -78.3 | 0 | 0 | 0 | 108.8 | I30 Q34 N47 T49 | I30-Y32 HydrophobicContact CG2-CE1 4.36Å; Y32-Q34 PolarHBondContact O-N 2.88Å; Y32-N47 WeakPolarHBondContact CA-O 3.48Å; Y32-N47 WeakPolarHBondContact CB-O 3.23Å; Y32-N47 HydrophobicContact CD2-CB 4.42Å; Y32-N47 WeakPolarHBondContact CD2-O 3.44Å; Y32-N47 PolarHBondContact N-O 3.3Å; Y32-N47 PolarHBondContact O-N 3.33Å; Y32-T49 HydrophobicContact CE2-CG2 3.44Å; Y32-T49 VanDerWaalsContact CE2-CG2 3.44Å; Y32-T49 WeakPolarHBondContact OH-CG2 3.21Å |
| 33 | Y | 65.1 | Low | 71.9 | Confident | 204 Ų | 204 | 110.2 Ų | 110.2 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | trans | -73.3 | 82.9 | 166 | -58.6 | -73.2 | 0 | 0 | 0 | 108.6 | F31 K35 | F31-Y33 HydrophobicContact CB-CE2 4.26Å; Y33-K35 PolarHBondContact O-N 2.64Å | ||
| 34 | Q | 56.9 | Low | 70.2 | Confident | 108 Ų | 108 | 112 Ų | 112 | 51% | 0.505 | 58% | 0.576 | S | S | . | * | trans | -61.6 | 133.8 | 162.4 | -65.9 | -167.8 | -1.1 | 0 | 0 | 107.1 | Y32 R36 N47 | Y32-Q34 PolarHBondContact O-N 2.88Å; Q34-R36 PolarHBondContact O-N 3.25Å; Q34-N47 PolarHBondContact NE2-ND2 2.86Å | ||
| 35 | K | 56.6 | Low | 68.4 | Low | 202 Ų | 202 | 111.9 Ų | 111.9 | 88% | 0.878 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -45.7 | 111.6 | 174.6 | -72.3 | -179 | 177.9 | 177.9 | 0 | 107.9 | Y33 Q37 | Y33-K35 PolarHBondContact O-N 2.64Å; K35-Q37 PolarHBondContact O-N 3.07Å |
| 36 | R | 54.4 | Low | 67.1 | Low | 221 Ų | 221 | 107.5 Ų | 107.5 | 83% | 0.834 | 57% | 0.572 | S | S | * | * | trans | -9.4 | 84.2 | -179 | -62.2 | 177.2 | -177 | 134.3 | -0.2 | 113 | Q34 V38 | Q34-R36 PolarHBondContact O-N 3.25Å; R36-V38 VanDerWaalsContact C-N 3.31Å; R36-V38 PolarHBondContact O-N 3.3Å | ||
| 37 | Q | 50.6 | Low | 66.3 | Low | 143 Ų | 143 | 107.6 Ų | 107.6 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | trans | -77.8 | 100.7 | 153.9 | -82.6 | -168.8 | 5.7 | 0 | 0 | 104.2 | K35 D39 | K35-Q37 PolarHBondContact O-N 3.07Å; Q37-D39 PolarHBondContact O-N 2.85Å | ||
| 38 | V | 55.3 | Low | 65.7 | Low | 96 Ų | 96 | 105.7 Ų | 105.7 | 58% | 0.582 | 56% | 0.56 | S | S | * | * | B | Isolated β-bridge | trans | -72.1 | 106.9 | 162.7 | -175.9 | 0 | 0 | 0 | 0 | 103.6 | R36 | R36-V38 VanDerWaalsContact C-N 3.31Å; R36-V38 PolarHBondContact O-N 3.3Å |
| 39 | D | 55.6 | Low | 65.5 | Low | 62 Ų | 62 | 106.5 Ų | 106.5 | 33% | 0.332 | 56% | 0.564 | S | S | . | * | trans | -62 | 164 | 167 | 73.4 | 14.6 | 0 | 0 | 0 | 109.2 | Q37 T41 G42 N43 | Q37-D39 PolarHBondContact O-N 2.85Å; D39-T41 PolarHBondContact O-N 3.12Å; D39-T41 VanDerWaalsContact OD1-C 3.28Å; D39-T41 VanDerWaalsContact OD1-CA 3.27Å; D39-T41 WeakPolarHBondContact OD1-CA 3.25Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3.44Å; D39-T41 PolarHBondContact OD1-OG1 3.25Å; D39-T41 PolarHBondContact OD2-OG1 2.98Å; D39-T41 VanDerWaalsContact OD2-OG1 3.08Å; D39-G42 PolarHBondContact O-N 3.42Å; D39-G42 PolarHBondContact OD1-N 3.24Å; D39-N43 PolarHBondContact OD1-N 3.04Å; D39-N43 VanDerWaalsContact OD1-N 3.13Å | ||
| 40 | T | 61.6 | Low | 65.3 | Low | 157 Ų | 157 | 110 Ų | 110 | 96% | 0.963 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -11.7 | 179.9 | 38.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 41 | T | 64 | Low | 65.6 | Low | 105 Ų | 105 | 108.2 Ų | 108.2 | 64% | 0.644 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | 3.2 | 175.8 | 41.7 | 0 | 0 | 0 | 0 | 114.3 | D39 N43 | D39-T41 PolarHBondContact O-N 3.12Å; D39-T41 VanDerWaalsContact OD1-C 3.28Å; D39-T41 VanDerWaalsContact OD1-CA 3.27Å; D39-T41 WeakPolarHBondContact OD1-CA 3.25Å; D39-T41 WeakPolarHBondContact OD1-CB 3.43Å; D39-T41 PolarHBondContact OD1-N 3.44Å; D39-T41 PolarHBondContact OD1-OG1 3.25Å; D39-T41 PolarHBondContact OD2-OG1 2.98Å; D39-T41 VanDerWaalsContact OD2-OG1 3.08Å; T41-N43 PolarHBondContact O-N 2.98Å |
| 42 | G | 55.5 | Low | 66 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 52% | 0.515 | 58% | 0.578 | S | S | . | * | trans | 77.2 | 5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D39 | D39-G42 PolarHBondContact O-N 3.42Å; D39-G42 PolarHBondContact OD1-N 3.24Å | ||
| 43 | N | 59.3 | Low | 66.9 | Low | 109 Ų | 109 | 108.8 Ų | 108.8 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | trans | -86.5 | 121.7 | 179.2 | -80.2 | 6.6 | 0 | 0 | 0 | 109.3 | D39 T41 S45 | D39-N43 PolarHBondContact OD1-N 3.04Å; D39-N43 VanDerWaalsContact OD1-N 3.13Å; T41-N43 PolarHBondContact O-N 2.98Å; N43-S45 PolarHBondContact O-N 3.3Å | ||
| 44 | S | 57.3 | Low | 68.1 | Low | 91 Ų | 91 | 102.1 Ų | 102.1 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | B | Isolated β-bridge | trans | -72 | 94.7 | 164.1 | -71.8 | 0 | 0 | 0 | 0 | 108 | G46 | S44-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact O-N 3.08Å |
| 45 | S | 57.9 | Low | 69.7 | Low | 75 Ų | 75 | 99.9 Ų | 99.9 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | trans | -73.7 | 97.1 | 166.7 | 58.2 | 0 | 0 | 0 | 0 | 108.1 | N43 N47 | N43-S45 PolarHBondContact O-N 3.3Å; S45-N47 PolarHBondContact O-N 3.47Å | ||
| 46 | G | 64.1 | Low | 71.4 | Confident | 45 Ų | 45 | 92.2 Ų | 92.2 | 46% | 0.464 | 54% | 0.543 | S | S | . | . | trans | -67.3 | 120.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | S44 S48 | S44-G46 PolarHBondContact O-N 2.87Å; S44-G46 VanDerWaalsContact O-N 3.08Å; G46-S48 PolarHBondContact O-N 3.48Å | ||
| 47 | N | 77.2 | Confident | 73.3 | Confident | 70 Ų | 70 | 85.8 Ų | 85.8 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 117.6 | 172 | -74.1 | -13.8 | 0 | 0 | 0 | 107.4 | Y32 Q34 S45 | Y32-N47 WeakPolarHBondContact CA-O 3.48Å; Y32-N47 WeakPolarHBondContact CB-O 3.23Å; Y32-N47 HydrophobicContact CD2-CB 4.42Å; Y32-N47 WeakPolarHBondContact CD2-O 3.44Å; Y32-N47 PolarHBondContact N-O 3.3Å; Y32-N47 PolarHBondContact O-N 3.33Å; Q34-N47 PolarHBondContact NE2-ND2 2.86Å; S45-N47 PolarHBondContact O-N 3.47Å |
| 48 | S | 79.9 | Confident | 75.4 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 51% | 0.51 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 139.9 | 172.5 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | I30 G46 | I30-S48 CarbonylContact O-C 3.56Å; I30-S48 VanDerWaalsContact O-CA 3.29Å; I30-S48 WeakPolarHBondContact O-CA 3.47Å; G46-S48 PolarHBondContact O-N 3.48Å |
| 49 | T | 84.8 | Confident | 77.2 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 36% | 0.362 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 155.1 | 165.9 | -165.6 | 0 | 0 | 0 | 0 | 110.7 | I30 Y32 | I30-T49 HydrophobicContact CB-CG2 3.93Å; I30-T49 HydrophobicContact CD1-CG2 4.37Å; I30-T49 PolarHBondContact N-O 2.84Å; I30-T49 PolarHBondContact O-N 3.4Å; Y32-T49 HydrophobicContact CE2-CG2 3.44Å; Y32-T49 VanDerWaalsContact CE2-CG2 3.44Å; Y32-T49 WeakPolarHBondContact OH-CG2 3.21Å |
| 50 | Q | 84.6 | Confident | 79 | Confident | 178 Ų | 178 | 80 Ų | 80 | 83% | 0.832 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 134.4 | 167.3 | -67.8 | 179.8 | -20.3 | 0 | 0 | 108.8 | ||
| 51 | G | 86 | Confident | 80.4 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 17% | 0.165 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | V28 | V28-G51 PolarHBondContact N-O 2.98Å; V28-G51 PolarHBondContact O-N 2.87Å |
| 52 | V | 88.4 | Confident | 81.7 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 59% | 0.594 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.2 | 173 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | F25 | F25-V52 HydrophobicContact CB-CG1 3.76Å; F25-V52 HydrophobicContact CD1-CG1 3.69Å; F25-V52 HydrophobicContact CG-CG1 4.18Å |
| 53 | Q | 89.6 | Confident | 83.2 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.5 | 165.9 | -178.5 | 174.2 | -17.1 | 0 | 0 | 107.9 | F25 T26 V28 | F25-Q53 WeakPolarHBondContact CA-O 3.39Å; T26-Q53 PolarHBondContact N-O 2.85Å; T26-Q53 PolarHBondContact O-N 3.11Å; V28-Q53 HydrophobicContact CG1-CB 3.8Å; V28-Q53 HydrophobicContact CG2-CB 4.23Å |
| 54 | A | 89.5 | Confident | 84.5 | Confident | 64 Ų | 64 | 75 Ų | 75 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V24 F25 | V24-A54 WeakPolarHBondContact O-CA 3.08Å; F25-A54 HydrophobicContact CD1-CB 3.76Å; F25-A54 HydrophobicContact CE1-CB 3.73Å |
| 55 | S | 92.2 | Very high | 85.9 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 43% | 0.427 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.4 | 167.6 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | V23 V24 | V23-S55 CarbonylContact C-O 3.57Å; V23-S55 VanDerWaalsContact CA-O 3.31Å; V23-S55 WeakPolarHBondContact CA-O 3.17Å; V24-S55 PolarHBondContact N-O 3.26Å; V24-S55 PolarHBondContact O-N 3.44Å |
| 56 | S | 91.9 | Very high | 87.3 | Confident | 41 Ų | 41 | 74 Ų | 74 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 149.9 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | C20 | C20-S56 WeakPolarHBondContact SG-CB 3.49Å |
| 57 | D | 94.2 | Very high | 88.3 | Confident | 87 Ų | 87 | 79.6 Ų | 79.6 | 47% | 0.465 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 127.2 | 170.8 | -61.2 | -29.6 | 0 | 0 | 0 | 109.7 | C20 Q21 N22 | C20-D57 CarbonylContact C-O 3.6Å; C20-D57 WeakPolarHBondContact CA-O 3.38Å; Q21-D57 PolarHBondContact N-O 3.2Å; Q21-D57 PolarHBondContact O-N 2.91Å; N22-D57 WeakPolarHBondContact CB-OD2 3.32Å; N22-D57 PolarHBondContact ND2-OD2 3.29Å |
| 58 | I | 93.7 | Very high | 88.9 | Confident | 45 Ų | 45 | 78 Ų | 78 | 23% | 0.231 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.4 | 175.9 | -56.2 | -58.9 | 0 | 0 | 0 | 108.9 | V3 L7 K19 C20 L60 F73 | V3-I58 HydrophobicContact CG1-CD1 3.75Å; V3-I58 HydrophobicContact CG1-CG1 4.28Å; L7-I58 HydrophobicContact CD1-CD1 4.45Å; L7-I58 HydrophobicContact CD1-CG1 4.47Å; L7-I58 HydrophobicContact CD1-CG2 3.68Å; K19-I58 WeakPolarHBondContact O-CA 3.28Å; C20-I58 HydrophobicContact CB-CD1 3.61Å; C20-I58 VanDerWaalsContact SG-CD1 3.52Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; I58-F73 HydrophobicContact CB-CE2 4.47Å; I58-F73 HydrophobicContact CB-CZ 4.06Å; I58-F73 HydrophobicContact CG1-CZ 4.14Å; I58-F73 HydrophobicContact CG2-CE2 4Å; I58-F73 HydrophobicContact CG2-CZ 3.96Å |
| 59 | Q | 93.3 | Very high | 89.4 | Confident | 97 Ų | 97 | 78.1 Ų | 78.1 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118 | 173.4 | -173.5 | 179 | 33.1 | 0 | 0 | 109.6 | A18 K19 Q21 | A18-Q59 WeakPolarHBondContact CA-O 3.22Å; K19-Q59 HydrophobicContact CB-CB 4.37Å; K19-Q59 PolarHBondContact N-O 2.95Å; K19-Q59 PolarHBondContact O-N 2.88Å; Q21-Q59 VanDerWaalsContact NE2-OE1 3.11Å |
| 60 | L | 93.3 | Very high | 89.7 | Confident | 38 Ų | 38 | 79.1 Ų | 79.1 | 20% | 0.199 | 44% | 0.444 | C | S | . | . | trans | -94.2 | 134 | 170.7 | -58.5 | -178.8 | 0 | 0 | 0 | 109.7 | I14 T15 A18 I58 A65 L68 F73 | I14-L60 HydrophobicContact CG2-CD1 4.38Å; T15-L60 HydrophobicContact CG2-CD2 4.19Å; A18-L60 HydrophobicContact CB-CD2 3.7Å; I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; L60-A65 HydrophobicContact CB-CB 3.42Å; L60-A65 VanDerWaalsContact CB-CB 3.42Å; L60-A65 HydrophobicContact CD1-CB 3.82Å; L60-A65 HydrophobicContact CG-CB 4.28Å; L60-L68 HydrophobicContact CD1-CD1 3.68Å; L60-F73 HydrophobicContact CD1-CD2 4.04Å; L60-F73 HydrophobicContact CD1-CE2 4.12Å; L60-F73 HydrophobicContact CD2-CE2 4.49Å; L60-F73 HydrophobicContact CG-CE2 4.5Å | ||
| 61 | V | 91.5 | Very high | 90 | Very high | 81 Ų | 81 | 75 Ų | 75 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | trans | -102 | -16.2 | -174.8 | -175.4 | 0 | 0 | 0 | 0 | 112.1 | D17 | D17-V61 HydrophobicContact CB-CB 4.21Å; D17-V61 HydrophobicContact CB-CG2 4.37Å; D17-V61 WeakPolarHBondContact O-CG2 3.33Å | ||
| 62 | S | 91 | Very high | 90.4 | Very high | 30 Ų | 30 | 78.2 Ų | 78.2 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -68.7 | 139.1 | -176.9 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | I14 N64 A65 | I14-S62 WeakPolarHBondContact O-CB 3.45Å; S62-N64 PolarHBondContact O-N 3.32Å; S62-N64 PolarHBondContact OG-N 3.39Å; S62-A65 WeakPolarHBondContact O-CB 3.16Å; S62-A65 PolarHBondContact O-N 3.08Å |
| 63 | P | 86.6 | Confident | 90.6 | Very high | 105 Ų | 105 | 75 Ų | 75 | 68% | 0.682 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -54.8 | -35.6 | 173.1 | -25.8 | 34.5 | 0 | 0 | 0 | 113.1 | A65 T66 | P63-A65 PolarHBondContact O-N 3.35Å; P63-T66 PolarHBondContact O-N 2.84Å; P63-T66 PolarHBondContact O-OG1 2.94Å |
| 64 | N | 86.6 | Confident | 90.7 | Very high | 100 Ų | 100 | 71.1 Ų | 71.1 | 54% | 0.535 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -73.6 | -8.1 | 179.5 | -59.8 | -2.9 | 0 | 0 | 0 | 112.6 | I14 S62 T66 | I14-N64 HydrophobicContact CD1-CB 4.49Å; I14-N64 HydrophobicContact CG1-CB 4.34Å; S62-N64 PolarHBondContact O-N 3.32Å; S62-N64 PolarHBondContact OG-N 3.39Å; N64-T66 VanDerWaalsContact C-N 3.29Å |
| 65 | A | 87.6 | Confident | 90.9 | Very high | 16 Ų | 16 | 72.5 Ų | 72.5 | 13% | 0.132 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -73.7 | -21.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I14 L60 S62 P63 E67 L68 | I14-A65 HydrophobicContact CG2-CB 3.85Å; L60-A65 HydrophobicContact CB-CB 3.42Å; L60-A65 VanDerWaalsContact CB-CB 3.42Å; L60-A65 HydrophobicContact CD1-CB 3.82Å; L60-A65 HydrophobicContact CG-CB 4.28Å; S62-A65 WeakPolarHBondContact O-CB 3.16Å; S62-A65 PolarHBondContact O-N 3.08Å; P63-A65 PolarHBondContact O-N 3.35Å; A65-E67 PolarHBondContact O-N 2.83Å; A65-L68 HydrophobicContact CB-CD1 4.49Å; A65-L68 WeakPolarHBondContact O-CB 3.31Å; A65-L68 PolarHBondContact O-N 3.09Å |
| 66 | T | 86.2 | Confident | 90.9 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 78% | 0.779 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -68.7 | -19.7 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 113 | P63 N64 | P63-T66 PolarHBondContact O-N 2.84Å; P63-T66 PolarHBondContact O-OG1 2.94Å; N64-T66 VanDerWaalsContact C-N 3.29Å |
| 67 | E | 86.5 | Confident | 91 | Very high | 163 Ų | 163 | 68.9 Ų | 68.9 | 76% | 0.762 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -90.4 | -10.3 | 177.7 | -61.4 | -177.7 | 169.9 | 0 | 0 | 112.5 | A65 N69 | A65-E67 PolarHBondContact O-N 2.83Å; E67-N69 PolarHBondContact O-N 3.5Å |
| 68 | L | 90.1 | Very high | 90.8 | Very high | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 37% | 0.371 | C | S | . | . | trans | -71.1 | 125 | -179.8 | -74.4 | 176.3 | 0 | 0 | 0 | 110.7 | I14 L60 A65 E72 I76 | I14-L68 HydrophobicContact CD1-CD1 4.28Å; I14-L68 HydrophobicContact CD1-CD2 4.17Å; I14-L68 HydrophobicContact CD1-CG 4.38Å; I14-L68 HydrophobicContact CG2-CD1 3.61Å; L60-L68 HydrophobicContact CD1-CD1 3.68Å; A65-L68 HydrophobicContact CB-CD1 4.49Å; A65-L68 WeakPolarHBondContact O-CB 3.31Å; A65-L68 PolarHBondContact O-N 3.09Å; L68-E72 WeakPolarHBondContact CA-OE2 3.48Å; L68-E72 HydrophobicContact CD2-CB 3.71Å; L68-I76 HydrophobicContact CD1-CD1 4.03Å; L68-I76 HydrophobicContact CD2-CD1 3.92Å | ||
| 69 | N | 90.6 | Very high | 90.6 | Very high | 77 Ų | 77 | 69 Ų | 69 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | trans | -87.8 | 169.5 | 165 | 67 | 58.6 | 0 | 0 | 0 | 111.6 | E67 T71 E72 F73 | E67-N69 PolarHBondContact O-N 3.5Å; N69-T71 PolarHBondContact O-N 3.22Å; N69-T71 WeakPolarHBondContact OD1-CA 3.32Å; N69-T71 VanDerWaalsContact OD1-CB 3.3Å; N69-T71 WeakPolarHBondContact OD1-CB 3.47Å; N69-T71 PolarHBondContact OD1-N 3.29Å; N69-E72 PolarHBondContact N-OE2 3.2Å; N69-E72 VanDerWaalsContact ND2-CD 3.3Å; N69-E72 PolarHBondContact ND2-OE2 3.38Å; N69-E72 PolarHBondContact O-N 2.84Å; N69-E72 PolarHBondContact OD1-N 3.44Å; N69-F73 PolarHBondContact O-N 3.42Å | ||
| 70 | E | 90.4 | Very high | 90.6 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.7 | -34.2 | -179.1 | -66.4 | 175.4 | 176.5 | 0 | 0 | 113.2 | N74 N98 A99 | E70-N74 WeakPolarHBondContact O-CB 3.39Å; E70-N74 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-ND2 2.87Å; E70-N98 WeakPolarHBondContact OE1-CA 3.27Å; E70-A99 HydrophobicContact CG-CB 3.99Å; E70-A99 PolarHBondContact OE1-N 2.92Å |
| 71 | T | 91.7 | Very high | 90.4 | Very high | 92 Ų | 92 | 64.9 Ų | 64.9 | 56% | 0.564 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.6 | -43.4 | 179.6 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | N69 N74 N75 | N69-T71 PolarHBondContact O-N 3.22Å; N69-T71 WeakPolarHBondContact OD1-CA 3.32Å; N69-T71 VanDerWaalsContact OD1-CB 3.3Å; N69-T71 WeakPolarHBondContact OD1-CB 3.47Å; N69-T71 PolarHBondContact OD1-N 3.29Å; T71-N74 PolarHBondContact O-N 3.34Å; T71-N75 WeakPolarHBondContact O-CB 3.27Å; T71-N75 PolarHBondContact O-N 3.41Å; T71-N75 PolarHBondContact O-ND2 2.92Å |
| 72 | E | 92.5 | Very high | 90.2 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 176.6 | -67.5 | 170.1 | 142.1 | 0 | 0 | 111.5 | L68 N69 N74 N75 I76 | L68-E72 WeakPolarHBondContact CA-OE2 3.48Å; L68-E72 HydrophobicContact CD2-CB 3.71Å; N69-E72 PolarHBondContact N-OE2 3.2Å; N69-E72 VanDerWaalsContact ND2-CD 3.3Å; N69-E72 PolarHBondContact ND2-OE2 3.38Å; N69-E72 PolarHBondContact O-N 2.84Å; N69-E72 PolarHBondContact OD1-N 3.44Å; E72-N74 PolarHBondContact O-N 2.93Å; E72-N75 PolarHBondContact O-N 3.19Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.34Å; E72-I76 PolarHBondContact O-N 2.92Å |
| 73 | F | 93.1 | Very high | 90 | Very high | 30 Ų | 30 | 70.5 Ų | 70.5 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.7 | -178.2 | -90.7 | 0 | 0 | 0 | 111.7 | L7 I58 L60 N69 N75 I76 L77 T97 | L7-F73 HydrophobicContact CD1-CE2 4.36Å; L7-F73 HydrophobicContact CD1-CZ 4.18Å; L7-F73 HydrophobicContact CD2-CD2 4.45Å; L7-F73 HydrophobicContact CD2-CE1 4.48Å; L7-F73 HydrophobicContact CD2-CE2 3.77Å; L7-F73 HydrophobicContact CD2-CZ 3.78Å; I58-F73 HydrophobicContact CB-CE2 4.47Å; I58-F73 HydrophobicContact CB-CZ 4.06Å; I58-F73 HydrophobicContact CG1-CZ 4.14Å; I58-F73 HydrophobicContact CG2-CE2 4Å; I58-F73 HydrophobicContact CG2-CZ 3.96Å; L60-F73 HydrophobicContact CD1-CD2 4.04Å; L60-F73 HydrophobicContact CD1-CE2 4.12Å; L60-F73 HydrophobicContact CD2-CE2 4.49Å; L60-F73 HydrophobicContact CG-CE2 4.5Å; N69-F73 PolarHBondContact O-N 3.42Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 PolarHBondContact O-N 3.34Å; F73-I76 WeakPolarHBondContact O-CB 3.37Å; F73-I76 PolarHBondContact O-N 3.07Å; F73-L77 PolarHBondContact O-N 3.41Å; F73-T97 HydrophobicContact CD1-CG2 3.74Å; F73-T97 HydrophobicContact CE1-CG2 3.69Å |
| 74 | N | 92.1 | Very high | 89.8 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.214 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 175.8 | -82 | -42.1 | 0 | 0 | 0 | 112.3 | E70 T71 E72 I76 L77 V78 T97 | E70-N74 WeakPolarHBondContact O-CB 3.39Å; E70-N74 PolarHBondContact O-N 2.83Å; E70-N74 PolarHBondContact O-ND2 2.87Å; T71-N74 PolarHBondContact O-N 3.34Å; E72-N74 PolarHBondContact O-N 2.93Å; N74-I76 PolarHBondContact O-N 2.86Å; N74-L77 PolarHBondContact O-N 2.85Å; N74-V78 WeakPolarHBondContact O-CB 3.42Å; N74-V78 WeakPolarHBondContact O-CG2 3.23Å; N74-V78 PolarHBondContact O-N 3.23Å; N74-T97 VanDerWaalsContact CG-OG1 3.26Å; N74-T97 PolarHBondContact ND2-OG1 3.08Å; N74-T97 WeakPolarHBondContact OD1-CG2 3.43Å; N74-T97 PolarHBondContact OD1-OG1 2.91Å; N74-T97 VanDerWaalsContact OD1-OG1 3.12Å |
| 75 | N | 93 | Very high | 88.8 | Confident | 94 Ų | 94 | 69.4 Ų | 69.4 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176.5 | -73.8 | -25.8 | 0 | 0 | 0 | 111.3 | T71 E72 F73 L77 V78 T79 | T71-N75 WeakPolarHBondContact O-CB 3.27Å; T71-N75 PolarHBondContact O-N 3.41Å; T71-N75 PolarHBondContact O-ND2 2.92Å; E72-N75 PolarHBondContact O-N 3.19Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 PolarHBondContact O-N 3.34Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-L77 PolarHBondContact O-N 3.25Å; N75-V78 PolarHBondContact O-N 3.44Å; N75-T79 WeakPolarHBondContact O-CB 3.46Å; N75-T79 PolarHBondContact O-N 2.84Å; N75-T79 PolarHBondContact O-OG1 2.6Å |
| 76 | I | 93.9 | Very high | 87.5 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 8% | 0.077 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 174.8 | -68.6 | 167.8 | 0 | 0 | 0 | 110.3 | L7 G10 N11 T15 L68 E72 F73 N74 G80 | L7-I76 HydrophobicContact CD2-CG2 3.99Å; G10-I76 WeakPolarHBondContact CA-O 3.49Å; N11-I76 HydrophobicContact CB-CB 4.46Å; N11-I76 HydrophobicContact CB-CD1 3.91Å; N11-I76 HydrophobicContact CB-CG1 3.86Å; N11-I76 HydrophobicContact CB-CG2 3.79Å; T15-I76 HydrophobicContact CG2-CG2 4.05Å; L68-I76 HydrophobicContact CD1-CD1 4.03Å; L68-I76 HydrophobicContact CD2-CD1 3.92Å; E72-I76 VanDerWaalsContact O-CG1 3.29Å; E72-I76 WeakPolarHBondContact O-CG1 3.34Å; E72-I76 PolarHBondContact O-N 2.92Å; F73-I76 WeakPolarHBondContact O-CB 3.37Å; F73-I76 PolarHBondContact O-N 3.07Å; N74-I76 PolarHBondContact O-N 2.86Å; I76-G80 PolarHBondContact O-N 2.84Å |
| 77 | L | 92.4 | Very high | 86.3 | Confident | 11 Ų | 11 | 70.3 Ų | 70.3 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.9 | -50 | -179 | 179.8 | 60.3 | 0 | 0 | 0 | 112.1 | V3 L7 F73 N74 N75 G80 Y81 V95 | V3-L77 HydrophobicContact CG1-CD1 4.01Å; L7-L77 HydrophobicContact CD2-CB 4.11Å; L7-L77 HydrophobicContact CD2-CD1 4.25Å; L7-L77 HydrophobicContact CG-CD1 4.21Å; F73-L77 PolarHBondContact O-N 3.41Å; N74-L77 PolarHBondContact O-N 2.85Å; N75-L77 VanDerWaalsContact C-N 3.33Å; N75-L77 PolarHBondContact O-N 3.25Å; L77-G80 PolarHBondContact O-N 3.46Å; L77-Y81 VanDerWaalsContact O-CB 3.27Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.28Å; L77-V95 HydrophobicContact CD2-CG1 3.74Å |
| 78 | V | 89.8 | Confident | 85.2 | Confident | 68 Ų | 68 | 64.3 Ų | 64.3 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | -178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | N74 N75 G80 Y81 N82 | N74-V78 WeakPolarHBondContact O-CB 3.42Å; N74-V78 WeakPolarHBondContact O-CG2 3.23Å; N74-V78 PolarHBondContact O-N 3.23Å; N75-V78 PolarHBondContact O-N 3.44Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.44Å; V78-Y81 PolarHBondContact O-N 2.66Å; V78-N82 WeakPolarHBondContact O-CB 3.14Å; V78-N82 VanDerWaalsContact O-CG 3.29Å; V78-N82 PolarHBondContact O-N 3.25Å; V78-N82 PolarHBondContact O-ND2 3.04Å |
| 79 | T | 91.4 | Very high | 84.1 | Confident | 65 Ų | 65 | 71.9 Ų | 71.9 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.6 | -48 | 176.9 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | N75 N82 Q83 | N75-T79 WeakPolarHBondContact O-CB 3.46Å; N75-T79 PolarHBondContact O-N 2.84Å; N75-T79 PolarHBondContact O-OG1 2.6Å; T79-N82 PolarHBondContact O-N 2.9Å; T79-Q83 VanDerWaalsContact CG2-NE2 3.34Å; T79-Q83 WeakPolarHBondContact O-CG 3.42Å; T79-Q83 PolarHBondContact O-N 3.08Å |
| 80 | G | 92 | Very high | 83.3 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -75.8 | -26.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | S6 I76 L77 V78 Q83 A84 | S6-G80 VanDerWaalsContact O-CA 3.23Å; S6-G80 WeakPolarHBondContact O-CA 3.36Å; I76-G80 PolarHBondContact O-N 2.84Å; L77-G80 PolarHBondContact O-N 3.46Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.44Å; G80-Q83 PolarHBondContact O-N 3.01Å; G80-A84 WeakPolarHBondContact O-CB 3.45Å; G80-A84 PolarHBondContact O-N 3.08Å |
| 81 | Y | 89 | Confident | 82.6 | Confident | 50 Ų | 50 | 75.3 Ų | 75.3 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 168.2 | 174.9 | -96 | 0 | 0 | 0 | 111.6 | S6 L77 V78 Q83 A84 I90 Q91 L92 | S6-Y81 WeakPolarHBondContact OG-CA 3.43Å; L77-Y81 VanDerWaalsContact O-CB 3.27Å; L77-Y81 WeakPolarHBondContact O-CB 3.43Å; L77-Y81 PolarHBondContact O-N 3.28Å; V78-Y81 PolarHBondContact O-N 2.66Å; Y81-Q83 VanDerWaalsContact C-N 3.29Å; Y81-Q83 PolarHBondContact O-N 3.47Å; Y81-A84 WeakPolarHBondContact O-CB 3.48Å; Y81-A84 PolarHBondContact O-N 2.77Å; Y81-I90 PolarHBondContact OH-O 3.41Å; Y81-Q91 WeakPolarHBondContact OH-CA 3.44Å; Y81-L92 HydrophobicContact CD1-CD1 4.37Å; Y81-L92 HydrophobicContact CD2-CD1 3.37Å; Y81-L92 HydrophobicContact CD2-CG 3.9Å; Y81-L92 HydrophobicContact CE2-CB 4.36Å; Y81-L92 HydrophobicContact CE2-CD1 3.61Å; Y81-L92 HydrophobicContact CE2-CG 3.56Å; Y81-L92 HydrophobicContact CG-CD1 3.78Å; Y81-L92 PolarHBondContact OH-N 3.05Å |
| 82 | N | 87.5 | Confident | 82 | Confident | 120 Ų | 120 | 74.4 Ų | 74.4 | 64% | 0.642 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.8 | -28.2 | 176.3 | -69.4 | -24.1 | 0 | 0 | 0 | 113 | V78 T79 | V78-N82 WeakPolarHBondContact O-CB 3.14Å; V78-N82 VanDerWaalsContact O-CG 3.29Å; V78-N82 PolarHBondContact O-N 3.25Å; V78-N82 PolarHBondContact O-ND2 3.04Å; T79-N82 PolarHBondContact O-N 2.9Å |
| 83 | Q | 87.6 | Confident | 81.3 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 51% | 0.505 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -80.3 | -27.5 | 173.2 | -71.8 | 179.4 | 36.6 | 0 | 0 | 113.3 | L9 T79 G80 Y81 N85 | L9-Q83 HydrophobicContact CB-CB 4.32Å; L9-Q83 HydrophobicContact CD1-CB 4.39Å; L9-Q83 PolarHBondContact O-OE1 2.92Å; T79-Q83 VanDerWaalsContact CG2-NE2 3.34Å; T79-Q83 WeakPolarHBondContact O-CG 3.42Å; T79-Q83 PolarHBondContact O-N 3.08Å; G80-Q83 PolarHBondContact O-N 3.01Å; Y81-Q83 VanDerWaalsContact C-N 3.29Å; Y81-Q83 PolarHBondContact O-N 3.47Å; Q83-N85 VanDerWaalsContact C-N 3.35Å; Q83-N85 PolarHBondContact O-N 3.35Å |
| 84 | A | 82.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 81.3 Ų | 81.3 | 14% | 0.14 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -63.1 | 102.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | L9 G80 Y81 S86 | L9-A84 HydrophobicContact CD1-CB 3.88Å; G80-A84 WeakPolarHBondContact O-CB 3.45Å; G80-A84 PolarHBondContact O-N 3.08Å; Y81-A84 WeakPolarHBondContact O-CB 3.48Å; Y81-A84 PolarHBondContact O-N 2.77Å; A84-S86 PolarHBondContact O-N 2.9Å |
| 85 | N | 65.3 | Low | 80.4 | Confident | 165 Ų | 165 | 82.2 Ų | 82.2 | 88% | 0.882 | 44% | 0.44 | S | S | * | . | trans | -68.6 | 68.4 | 172 | -170 | 10.2 | 0 | 0 | 0 | 108.4 | Q83 S87 | Q83-N85 VanDerWaalsContact C-N 3.35Å; Q83-N85 PolarHBondContact O-N 3.35Å; N85-S87 PolarHBondContact O-N 2.87Å | ||
| 86 | S | 59.2 | Low | 80.2 | Confident | 37 Ų | 37 | 85.5 Ų | 85.5 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | trans | -84.3 | 103.9 | -175.8 | 156.8 | 0 | 0 | 0 | 0 | 105.8 | A84 S88 | A84-S86 PolarHBondContact O-N 2.9Å; S86-S88 PolarHBondContact O-N 3.21Å; S86-S88 VanDerWaalsContact O-N 3.08Å; S86-S88 WeakPolarHBondContact OG-CA 3.29Å; S86-S88 WeakPolarHBondContact OG-CB 3.39Å; S86-S88 PolarHBondContact OG-N 2.82Å; S86-S88 PolarHBondContact OG-O 3.2Å; S86-S88 PolarHBondContact OG-OG 3.04Å | ||
| 87 | S | 61.3 | Low | 79.9 | Confident | 125 Ų | 125 | 86 Ų | 86 | 87% | 0.874 | 46% | 0.456 | S | S | * | . | trans | -60.1 | -1.7 | 156.5 | 55.4 | 0 | 0 | 0 | 0 | 112.9 | N85 | N85-S87 PolarHBondContact O-N 2.87Š| ||
| 88 | S | 63 | Low | 79.7 | Confident | 37 Ų | 37 | 92 Ų | 92 | 26% | 0.259 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -70.9 | 135.3 | 176.4 | 90.5 | 0 | 0 | 0 | 0 | 110.5 | S86 I90 | S86-S88 PolarHBondContact O-N 3.21Å; S86-S88 VanDerWaalsContact O-N 3.08Å; S86-S88 WeakPolarHBondContact OG-CA 3.29Å; S86-S88 WeakPolarHBondContact OG-CB 3.39Å; S86-S88 PolarHBondContact OG-N 2.82Å; S86-S88 PolarHBondContact OG-O 3.2Å; S86-S88 PolarHBondContact OG-OG 3.04Å; S88-I90 PolarHBondContact O-N 3.35Å; S88-I90 WeakPolarHBondContact OG-CB 3.44Å; S88-I90 PolarHBondContact OG-N 3.13Å |
| 89 | E | 68.3 | Low | 79.4 | Confident | 195 Ų | 195 | 92.4 Ų | 92.4 | 91% | 0.911 | 50% | 0.499 | S | S | * | . | trans | -66.8 | 2.7 | 172.1 | -60.4 | 178.5 | 164.6 | 0 | 0 | 112.6 | Q91 | E89-Q91 PolarHBondContact O-N 3.25Š| ||
| 90 | I | 72.9 | Confident | 78.6 | Confident | 96 Ų | 96 | 98.2 Ų | 98.2 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | trans | -79.7 | 109.3 | -175.7 | -54.6 | 174.1 | 0 | 0 | 0 | 108.4 | Y81 S88 | Y81-I90 PolarHBondContact OH-O 3.41Å; S88-I90 PolarHBondContact O-N 3.35Å; S88-I90 WeakPolarHBondContact OG-CB 3.44Å; S88-I90 PolarHBondContact OG-N 3.13Å | ||
| 91 | Q | 76.7 | Confident | 78 | Confident | 133 Ų | 133 | 103.2 Ų | 103.2 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | trans | -96.6 | 128.6 | 170.7 | -66.5 | 176.8 | 1.2 | 0 | 0 | 109.5 | Y81 E89 F93 | Y81-Q91 WeakPolarHBondContact OH-CA 3.44Å; E89-Q91 PolarHBondContact O-N 3.25Å; Q91-F93 HydrophobicContact CB-CD2 4.2Å; Q91-F93 HydrophobicContact CB-CE2 3.46Å; Q91-F93 VanDerWaalsContact CB-CE2 3.46Å; Q91-F93 HydrophobicContact CB-CZ 3.84Å; Q91-F93 WeakPolarHBondContact O-CD2 3.43Å | ||
| 92 | L | 77.8 | Confident | 77.4 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 38% | 0.382 | 59% | 0.589 | S | S | . | * | trans | -78.7 | 130.2 | 171.1 | -65.5 | 179.7 | 0 | 0 | 0 | 110.2 | Y81 V95 | Y81-L92 HydrophobicContact CD1-CD1 4.37Å; Y81-L92 HydrophobicContact CD2-CD1 3.37Å; Y81-L92 HydrophobicContact CD2-CG 3.9Å; Y81-L92 HydrophobicContact CE2-CB 4.36Å; Y81-L92 HydrophobicContact CE2-CD1 3.61Å; Y81-L92 HydrophobicContact CE2-CG 3.56Å; Y81-L92 HydrophobicContact CG-CD1 3.78Å; Y81-L92 PolarHBondContact OH-N 3.05Å; L92-V95 HydrophobicContact CB-CG2 3.86Å; L92-V95 HydrophobicContact CD1-CG2 4.23Å; L92-V95 HydrophobicContact CG-CG2 4.5Å | ||
| 93 | F | 78.1 | Confident | 76.8 | Confident | 109 Ų | 109 | 105.2 Ų | 105.2 | 48% | 0.478 | 59% | 0.586 | S | S | . | * | trans | -128.3 | 146.9 | 174 | -64.9 | -80.6 | 0 | 0 | 0 | 109.6 | Q91 V95 | Q91-F93 HydrophobicContact CB-CD2 4.2Å; Q91-F93 HydrophobicContact CB-CE2 3.46Å; Q91-F93 VanDerWaalsContact CB-CE2 3.46Å; Q91-F93 HydrophobicContact CB-CZ 3.84Å; Q91-F93 WeakPolarHBondContact O-CD2 3.43Å; F93-V95 VanDerWaalsContact C-N 3.28Å; F93-V95 PolarHBondContact O-N 2.65Å | ||
| 94 | N | 82.3 | Confident | 76.2 | Confident | 149 Ų | 149 | 105 Ų | 105 | 80% | 0.797 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 46.6 | 49.5 | 174.9 | -59.9 | -8.6 | 0 | 0 | 0 | 113 | E96 | N94-E96 PolarHBondContact O-N 2.93Š|
| 95 | V | 84.7 | Confident | 75.8 | Confident | 59 Ų | 59 | 110.5 Ų | 110.5 | 36% | 0.358 | 62% | 0.619 | S | S | . | * | trans | -67.9 | 116.9 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | L77 L92 F93 T97 | L77-V95 HydrophobicContact CD2-CG1 3.74Å; L92-V95 HydrophobicContact CB-CG2 3.86Å; L92-V95 HydrophobicContact CD1-CG2 4.23Å; L92-V95 HydrophobicContact CG-CG2 4.5Å; F93-V95 VanDerWaalsContact C-N 3.28Å; F93-V95 PolarHBondContact O-N 2.65Å; V95-T97 HydrophobicContact CG1-CG2 4.46Å | ||
| 96 | E | 88.3 | Confident | 76.5 | Confident | 163 Ų | 163 | 106.9 Ų | 106.9 | 76% | 0.762 | 60% | 0.602 | S | S | * | * | trans | -117.5 | 139.9 | 175.8 | -68.6 | 177.1 | -170.2 | 0 | 0 | 109.1 | N94 | N94-E96 PolarHBondContact O-N 2.93Š| ||
| 97 | T | 88.1 | Confident | 77.7 | Confident | 26 Ų | 26 | 111.9 Ų | 111.9 | 16% | 0.16 | 63% | 0.626 | C | S | . | * | trans | -136.8 | 134.1 | 178.6 | 62.7 | 0 | 0 | 0 | 0 | 108.1 | F73 N74 V95 | F73-T97 HydrophobicContact CD1-CG2 3.74Å; F73-T97 HydrophobicContact CE1-CG2 3.69Å; N74-T97 VanDerWaalsContact CG-OG1 3.26Å; N74-T97 PolarHBondContact ND2-OG1 3.08Å; N74-T97 WeakPolarHBondContact OD1-CG2 3.43Å; N74-T97 PolarHBondContact OD1-OG1 2.91Å; N74-T97 VanDerWaalsContact OD1-OG1 3.12Å; V95-T97 HydrophobicContact CG1-CG2 4.46Å | ||
| 98 | N | 86.5 | Confident | 79 | Confident | 137 Ų | 137 | 110.8 Ų | 110.8 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | trans | -120.6 | 138.9 | 172.4 | -60 | -70 | 0 | 0 | 0 | 107.9 | E70 | E70-N98 WeakPolarHBondContact OE1-CA 3.27Š| ||
| 99 | A | 84.1 | Confident | 80.3 | Confident | 77 Ų | 77 | 117 Ų | 117 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | trans | -80.5 | 135.5 | 169 | 0 | 0 | 0 | 0 | 0 | 109.6 | E70 | E70-A99 HydrophobicContact CG-CB 3.99Å; E70-A99 PolarHBondContact OE1-N 2.92Å | ||
| 100 | S | 75.9 | Confident | 81.4 | Confident | 187 Ų | 187 | 109.9 Ų | 109.9 | 100% | 1.308 | 61% | 0.611 | S | S | * | * | trans | -136.7 | 0 | 175.1 | 67.3 | 0 | 0 | 0 | 0 | 111 |
Retrieved 100 of 100 residues in 42.8 ms
(Link to these results)