| 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 | 59.4 | Low | 68.2 | Low | 191 Ų | 191 | 114.5 Ų | 114.5 | 94% | 0.941 | 61% | 0.605 | S | S | * | * | 0 | -58.5 | 0 | -104.5 | -168.3 | 83.1 | 0 | 0 | 112.8 | V3 I4 C5 | M1-V3 PolarHBondContact O-N 3.38Å; M1-I4 PolarHBondContact O-N 3.41Å; M1-I4 VanDerWaalsContact O-N 3.11Å; M1-C5 PolarHBondContact O-N 3.5Å; M1-C5 VanDerWaalsContact O-N 3.16Å | |||
| 2 | L | 64 | Low | 68.1 | Low | 144 Ų | 144 | 111.6 Ų | 111.6 | 75% | 0.754 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.4 | -39.5 | -172.3 | -144.7 | 121.6 | 0 | 0 | 0 | 114.5 | I4 C5 V6 | L2-I4 PolarHBondContact O-N 2.61Å; L2-C5 PolarHBondContact O-N 3.5Å; L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 3.12Å; L2-V6 VanDerWaalsContact O-N 3.07Å |
| 3 | V | 70.8 | Confident | 67.4 | Low | 107 Ų | 107 | 114.5 Ų | 114.5 | 65% | 0.648 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.6 | -34.9 | 177.7 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | M1 V6 L7 | M1-V3 PolarHBondContact O-N 3.38Å; V3-V6 PolarHBondContact O-N 3.49Å; V3-L7 HydrophobicContact CG1-CD1 4.07Å; V3-L7 WeakPolarHBondContact O-CB 3.18Å; V3-L7 PolarHBondContact O-N 3.11Å |
| 4 | I | 75.4 | Confident | 66.5 | Low | 104 Ų | 104 | 110.9 Ų | 110.9 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.4 | -44.4 | 178.7 | -60.9 | 173.3 | 0 | 0 | 0 | 109.5 | M1 L2 V6 L7 E8 | M1-I4 PolarHBondContact O-N 3.41Å; M1-I4 VanDerWaalsContact O-N 3.11Å; L2-I4 PolarHBondContact O-N 2.61Å; I4-V6 VanDerWaalsContact C-N 3.33Å; I4-V6 PolarHBondContact O-N 2.91Å; I4-L7 PolarHBondContact O-N 2.89Å; I4-E8 HydrophobicContact CG2-CG 4.49Å; I4-E8 WeakPolarHBondContact O-CG 3.4Å; I4-E8 PolarHBondContact O-N 3.45Å |
| 5 | C | 70.8 | Confident | 65.6 | Low | 61 Ų | 61 | 110.9 Ų | 110.9 | 41% | 0.412 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.7 | -39.3 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | M1 L2 E8 V9 | M1-C5 PolarHBondContact O-N 3.5Å; M1-C5 VanDerWaalsContact O-N 3.16Å; L2-C5 PolarHBondContact O-N 3.5Å; C5-E8 PolarHBondContact O-N 3.07Å; C5-V9 WeakPolarHBondContact O-CB 3.41Å; C5-V9 VanDerWaalsContact O-CG2 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.39Å; C5-V9 PolarHBondContact O-N 3.17Å |
| 6 | V | 71.3 | Confident | 64.8 | Low | 83 Ų | 83 | 109.4 Ų | 109.4 | 50% | 0.503 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.8 | -42.5 | 176.6 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | L2 V3 I4 V9 F10 | L2-V6 WeakPolarHBondContact O-CG2 3.44Å; L2-V6 PolarHBondContact O-N 3.12Å; L2-V6 VanDerWaalsContact O-N 3.07Å; V3-V6 PolarHBondContact O-N 3.49Å; I4-V6 VanDerWaalsContact C-N 3.33Å; I4-V6 PolarHBondContact O-N 2.91Å; V6-V9 PolarHBondContact O-N 3.3Å; V6-F10 WeakPolarHBondContact O-CB 3.3Å; V6-F10 PolarHBondContact O-N 2.85Å |
| 7 | L | 70.3 | Confident | 64.2 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | 176 | -86.5 | 160.5 | 0 | 0 | 0 | 112.5 | V3 I4 F10 L11 | V3-L7 HydrophobicContact CG1-CD1 4.07Å; V3-L7 WeakPolarHBondContact O-CB 3.18Å; V3-L7 PolarHBondContact O-N 3.11Å; I4-L7 PolarHBondContact O-N 2.89Å; L7-F10 PolarHBondContact O-N 3.32Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.29Å; L7-L11 PolarHBondContact O-N 2.78Å |
| 8 | E | 71.1 | Confident | 63.4 | Low | 119 Ų | 119 | 110.6 Ų | 110.6 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.6 | -42.2 | 177 | -76.6 | -176.5 | 174.5 | 0 | 0 | 112.1 | I4 C5 L11 S12 | I4-E8 HydrophobicContact CG2-CG 4.49Å; I4-E8 WeakPolarHBondContact O-CG 3.4Å; I4-E8 PolarHBondContact O-N 3.45Å; C5-E8 PolarHBondContact O-N 3.07Å; E8-L11 PolarHBondContact O-N 3.42Å; E8-S12 WeakPolarHBondContact O-CB 3.35Å; E8-S12 PolarHBondContact O-N 3.48Å; E8-S12 PolarHBondContact O-OG 2.82Å |
| 9 | V | 68.4 | Low | 62.9 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.9 | -43.3 | 173.1 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | C5 V6 L11 S12 F13 | C5-V9 WeakPolarHBondContact O-CB 3.41Å; C5-V9 VanDerWaalsContact O-CG2 3.22Å; C5-V9 WeakPolarHBondContact O-CG2 3.39Å; C5-V9 PolarHBondContact O-N 3.17Å; V6-V9 PolarHBondContact O-N 3.3Å; V9-L11 PolarHBondContact O-N 2.83Å; V9-S12 PolarHBondContact O-N 3.25Å; V9-F13 HydrophobicContact CG1-CD2 3.78Å; V9-F13 HydrophobicContact CG1-CE2 4.1Å; V9-F13 WeakPolarHBondContact O-CB 3.44Å; V9-F13 VanDerWaalsContact O-CD2 3.29Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 3.47Å |
| 10 | F | 63.5 | Low | 62.7 | Low | 140 Ų | 140 | 111.5 Ų | 111.5 | 61% | 0.614 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.6 | -43.5 | 176.6 | -131.5 | -97.4 | 0 | 0 | 0 | 111.6 | V6 L7 V14 | V6-F10 WeakPolarHBondContact O-CB 3.3Å; V6-F10 PolarHBondContact O-N 2.85Å; L7-F10 PolarHBondContact O-N 3.32Å; F10-V14 HydrophobicContact CD1-CG2 3.62Å; F10-V14 HydrophobicContact CE1-CG2 3.78Å; F10-V14 HydrophobicContact CG-CG2 4.25Å; F10-V14 WeakPolarHBondContact O-CB 3.45Å; F10-V14 WeakPolarHBondContact O-CG2 3.16Å; F10-V14 PolarHBondContact O-N 2.88Å |
| 11 | L | 65.8 | Low | 62.5 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 59% | 0.592 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.6 | -37.2 | -179.4 | -156.7 | 73 | 0 | 0 | 0 | 111.7 | L7 E8 V9 L15 | L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.29Å; L7-L11 PolarHBondContact O-N 2.78Å; E8-L11 PolarHBondContact O-N 3.42Å; V9-L11 PolarHBondContact O-N 2.83Å; L11-L15 HydrophobicContact CD1-CD1 4.05Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 3.76Å; L11-L15 HydrophobicContact CG-CG 4.43Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.46Å |
| 12 | S | 66.7 | Low | 62.8 | Low | 79 Ų | 79 | 108.6 Ų | 108.6 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -72.4 | -32.5 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | E8 V9 P16 | E8-S12 WeakPolarHBondContact O-CB 3.35Å; E8-S12 PolarHBondContact O-N 3.48Å; E8-S12 PolarHBondContact O-OG 2.82Å; V9-S12 PolarHBondContact O-N 3.25Å; S12-P16 WeakPolarHBondContact O-CD 3.39Å; S12-P16 VanDerWaalsContact O-CG 3.22Å; S12-P16 WeakPolarHBondContact O-CG 3.45Å |
| 13 | F | 58.3 | Low | 63.1 | Low | 150 Ų | 150 | 104.2 Ų | 104.2 | 66% | 0.658 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -96.5 | -28.6 | -179 | -80.1 | -89.3 | 0 | 0 | 0 | 114.1 | V9 V17 | V9-F13 HydrophobicContact CG1-CD2 3.78Å; V9-F13 HydrophobicContact CG1-CE2 4.1Å; V9-F13 WeakPolarHBondContact O-CB 3.44Å; V9-F13 VanDerWaalsContact O-CD2 3.29Å; V9-F13 WeakPolarHBondContact O-CD2 3.42Å; V9-F13 PolarHBondContact O-N 3.47Å; F13-V17 VanDerWaalsContact O-CG2 3.32Å; F13-V17 WeakPolarHBondContact O-CG2 3.17Å |
| 14 | V | 54.7 | Low | 63.3 | Low | 63 Ų | 63 | 101.8 Ų | 101.8 | 38% | 0.382 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -84.9 | -32 | -177.7 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | F10 V17 L18 | F10-V14 HydrophobicContact CD1-CG2 3.62Å; F10-V14 HydrophobicContact CE1-CG2 3.78Å; F10-V14 HydrophobicContact CG-CG2 4.25Å; F10-V14 WeakPolarHBondContact O-CB 3.45Å; F10-V14 WeakPolarHBondContact O-CG2 3.16Å; F10-V14 PolarHBondContact O-N 2.88Å; V14-V17 PolarHBondContact O-N 2.66Å; V14-L18 HydrophobicContact CG1-CD1 4.12Å |
| 15 | L | 54 | Low | 63.5 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -40.9 | 179 | -72.7 | 174.7 | 0 | 0 | 0 | 114.1 | L11 V17 | L11-L15 HydrophobicContact CD1-CD1 4.05Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 3.76Å; L11-L15 HydrophobicContact CG-CG 4.43Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 WeakPolarHBondContact O-CD1 3.44Å; L11-L15 VanDerWaalsContact O-CG 3.27Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 3.46Å; L15-V17 VanDerWaalsContact C-N 3.35Å; L15-V17 PolarHBondContact O-N 2.91Å |
| 16 | P | 52.2 | Low | 63.9 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -31.4 | 178.3 | -19.3 | 31.7 | 0 | 0 | 0 | 113.4 | S12 L18 A19 | S12-P16 WeakPolarHBondContact O-CD 3.39Å; S12-P16 VanDerWaalsContact O-CG 3.22Å; S12-P16 WeakPolarHBondContact O-CG 3.45Å; P16-L18 VanDerWaalsContact C-N 3.26Å; P16-L18 PolarHBondContact O-N 3.35Å; P16-A19 PolarHBondContact O-N 3.04Å |
| 17 | V | 54.4 | Low | 64.5 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.4 | -28.4 | -177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | F13 V14 L15 A19 | F13-V17 VanDerWaalsContact O-CG2 3.32Å; F13-V17 WeakPolarHBondContact O-CG2 3.17Å; V14-V17 PolarHBondContact O-N 2.66Å; L15-V17 VanDerWaalsContact C-N 3.35Å; L15-V17 PolarHBondContact O-N 2.91Å; V17-A19 VanDerWaalsContact C-N 3.32Å; V17-A19 PolarHBondContact O-N 3.09Å |
| 18 | L | 50.9 | Low | 65.2 | Low | 137 Ų | 137 | 99 Ų | 99 | 72% | 0.717 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.6 | -177.1 | -79.5 | 157.9 | 0 | 0 | 0 | 115 | V14 P16 | V14-L18 HydrophobicContact CG1-CD1 4.12Å; P16-L18 VanDerWaalsContact C-N 3.26Å; P16-L18 PolarHBondContact O-N 3.35Å |
| 19 | A | 53.8 | Low | 65.7 | Low | 77 Ų | 77 | 98.2 Ų | 98.2 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 27.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P16 V17 Q21 | P16-A19 PolarHBondContact O-N 3.04Å; V17-A19 VanDerWaalsContact C-N 3.32Å; V17-A19 PolarHBondContact O-N 3.09Å; A19-Q21 PolarHBondContact O-N 3.18Å; A19-Q21 VanDerWaalsContact O-N 3.09Å |
| 20 | Q | 57.4 | Low | 66.7 | Low | 162 Ų | 162 | 97.3 Ų | 97.3 | 76% | 0.757 | 49% | 0.493 | S | S | * | . | trans | -64 | 114.4 | 168.9 | -78.6 | -171.3 | -36.7 | 0 | 0 | 110 | K22 | Q20-K22 PolarHBondContact O-N 2.88Å; Q20-K22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | Q | 59.6 | Low | 67.9 | Low | 87 Ų | 87 | 90.7 Ų | 90.7 | 41% | 0.407 | 46% | 0.464 | S | S | . | . | trans | -63 | 110.2 | 174.3 | -159.2 | -178.9 | -4.3 | 0 | 0 | 108.3 | A19 F23 C245 | A19-Q21 PolarHBondContact O-N 3.18Å; A19-Q21 VanDerWaalsContact O-N 3.09Å; Q21-F23 HydrophobicContact CB-CE2 4.22Å; Q21-F23 HydrophobicContact CG-CE2 4.45Å; Q21-F23 VanDerWaalsContact O-CD2 3.23Å; Q21-F23 WeakPolarHBondContact O-CD2 3.46Å; Q21-F23 WeakPolarHBondContact O-CE2 3.44Å; Q21-F23 PolarHBondContact O-N 3.47Å; Q21-C245 HydrophobicContact CG-CB 4.14Å; Q21-C245 WeakPolarHBondContact CG-SG 3.43Å; Q21-C245 VanDerWaalsContact NE2-CB 3.31Å; Q21-C245 PolarHBondContact NE2-SG 3.37Å | ||
| 22 | K | 64.8 | Low | 68.8 | Low | 154 Ų | 154 | 85.7 Ų | 85.7 | 67% | 0.67 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.5 | -178.6 | -168.8 | 173.1 | -178.4 | 176.3 | 0 | 109.2 | Q20 Y246 | Q20-K22 PolarHBondContact O-N 2.88Å; Q20-K22 VanDerWaalsContact O-N 3.09Å; K22-Y246 PolarHBondContact O-N 3.45Å |
| 23 | F | 70.2 | Confident | 69.6 | Low | 52 Ų | 52 | 82.4 Ų | 82.4 | 23% | 0.228 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 129.9 | 171.5 | -66.7 | -104.5 | 0 | 0 | 0 | 108.8 | Q21 W85 R190 R243 C245 | Q21-F23 HydrophobicContact CB-CE2 4.22Å; Q21-F23 HydrophobicContact CG-CE2 4.45Å; Q21-F23 VanDerWaalsContact O-CD2 3.23Å; Q21-F23 WeakPolarHBondContact O-CD2 3.46Å; Q21-F23 WeakPolarHBondContact O-CE2 3.44Å; Q21-F23 PolarHBondContact O-N 3.47Å; F23-W85 AromaticContact CD1-CE3 3.96Å; F23-W85 HydrophobicContact CD1-CE3 3.96Å; F23-W85 AromaticContact CD1-CZ3 3.88Å; F23-W85 HydrophobicContact CD1-CZ3 3.88Å; F23-W85 HydrophobicContact CE1-CD2 4.4Å; F23-W85 AromaticContact CE1-CE3 3.43Å; F23-W85 HydrophobicContact CE1-CE3 3.43Å; F23-W85 VanDerWaalsContact CE1-CE3 3.43Å; F23-W85 AromaticContact CE1-CH2 3.82Å; F23-W85 HydrophobicContact CE1-CH2 3.82Å; F23-W85 AromaticContact CE1-CZ3 3.1Å; F23-W85 HydrophobicContact CE1-CZ3 3.1Å; F23-W85 HydrophobicContact CZ-CE3 4.48Å; F23-W85 HydrophobicContact CZ-CH2 4.12Å; F23-W85 AromaticContact CZ-CZ3 3.8Å; F23-W85 HydrophobicContact CZ-CZ3 3.8Å; F23-R190 HydrophobicContact CE1-CG 4.46Å; F23-R190 VanDerWaalsContact CE2-NH2 3.25Å; F23-R243 HydrophobicContact CD1-CB 4.44Å; F23-C245 WeakPolarHBondContact CD1-SG 3.39Å; F23-C245 WeakPolarHBondContact CE1-SG 3.46Å; F23-C245 WeakPolarHBondContact CE2-SG 3.28Å; F23-C245 VanDerWaalsContact CG-SG 3.51Å; F23-C245 WeakPolarHBondContact CZ-SG 3.34Å |
| 24 | V | 76.6 | Confident | 70.5 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 35% | 0.345 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 130.4 | 169.8 | 176.1 | 0 | 0 | 0 | 0 | 107.7 | I244 Y246 | V24-I244 PolarHBondContact N-O 3.37Å; V24-I244 PolarHBondContact O-N 3.39Å; V24-Y246 HydrophobicContact CB-CD2 4.06Å; V24-Y246 HydrophobicContact CB-CE2 3.78Å; V24-Y246 HydrophobicContact CG1-CE2 4.35Å; V24-Y246 HydrophobicContact CG2-CD2 3.62Å; V24-Y246 HydrophobicContact CG2-CE2 3.73Å |
| 25 | Q | 78.1 | Confident | 71.3 | Confident | 116 Ų | 116 | 76.6 Ų | 76.6 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.4 | 172.8 | -69.2 | 175.8 | 3.9 | 0 | 0 | 108.9 | I87 S242 R243 | Q25-I87 HydrophobicContact CG-CD1 4.37Å; Q25-S242 CarbonylContact C-O 3.57Å; Q25-S242 WeakPolarHBondContact CA-O 3.48Å; Q25-R243 HydrophobicContact CG-CG 4.04Å |
| 26 | K | 80.6 | Confident | 72.4 | Confident | 113 Ų | 113 | 75.4 Ų | 75.4 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.5 | 174.2 | -179.5 | -178.5 | 178.9 | -176.7 | 0 | 108.9 | H241 S242 I244 | K26-H241 CarbonylContact O-C 3.58Å; K26-H241 VanDerWaalsContact O-CA 3.24Å; K26-H241 WeakPolarHBondContact O-CA 3.31Å; K26-S242 PolarHBondContact N-O 3.48Å; K26-S242 PolarHBondContact O-N 3.23Å; K26-S242 PolarHBondContact O-OG 3.09Å; K26-I244 HydrophobicContact CB-CD1 4.34Å; K26-I244 HydrophobicContact CD-CD1 4.21Å |
| 27 | Y | 83 | Confident | 73.3 | Confident | 68 Ų | 68 | 79 Ų | 79 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 134.3 | 172.5 | 176.6 | -110.7 | 0 | 0 | 0 | 111.1 | S32 R239 H241 | Y27-S32 WeakPolarHBondContact CE2-OG 3.12Å; Y27-S32 WeakPolarHBondContact OH-CB 2.94Å; Y27-R239 HydrophobicContact CE2-CB 4.5Å; Y27-H241 AromaticContact CD2-CD2 3.94Å; Y27-H241 AromaticContact CD2-NE2 3.76Å |
| 28 | L | 85.3 | Confident | 74.4 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | trans | -111.4 | 85.5 | -178.5 | -63.7 | -176 | 0 | 0 | 0 | 110.6 | K30 H31 S32 L80 E82 S240 | L28-K30 VanDerWaalsContact C-N 3.25Å; L28-K30 PolarHBondContact O-N 3.37Å; L28-H31 HydrophobicContact CB-CB 3.98Å; L28-H31 CarbonylContact O-C 3.6Å; L28-H31 WeakPolarHBondContact O-CA 3.07Å; L28-H31 PolarHBondContact O-N 3.01Å; L28-S32 WeakPolarHBondContact O-CB 3.32Å; L28-S32 PolarHBondContact O-N 2.83Å; L28-S32 PolarHBondContact O-OG 3.03Å; L28-L80 HydrophobicContact CD1-CD1 3.38Å; L28-E82 HydrophobicContact CD1-CB 4.41Å; L28-E82 HydrophobicContact CD2-CB 4.09Å; L28-E82 HydrophobicContact CD2-CG 3.83Å; L28-S240 PolarHBondContact N-O 2.88Å; L28-S240 PolarHBondContact O-OG 3.2Å | ||
| 29 | Y | 82.7 | Confident | 75.5 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -57.7 | -36.5 | -178.2 | 75.1 | -92.4 | 0 | 0 | 0 | 113.1 | H31 S32 F47 | Y29-H31 PolarHBondContact O-N 3.2Å; Y29-S32 PolarHBondContact O-N 3.38Å; Y29-S32 VanDerWaalsContact O-N 3.1Å; Y29-S32 VanDerWaalsContact O-O 3.06Å; Y29-F47 HydrophobicContact CD2-CE2 4.13Å; Y29-F47 HydrophobicContact CE2-CE2 4.01Å; Y29-F47 HydrophobicContact CE2-CZ 4.16Å |
| 30 | K | 88.3 | Confident | 76.8 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -65.7 | -18.9 | 178.3 | -64.1 | -175.4 | -176.6 | 177 | 0 | 113.6 | L28 F47 N76 | L28-K30 VanDerWaalsContact C-N 3.25Å; L28-K30 PolarHBondContact O-N 3.37Å; K30-F47 HydrophobicContact CB-CD2 4.34Å; K30-F47 HydrophobicContact CB-CG 4.43Å; K30-F47 HydrophobicContact CG-CD2 4.48Å; K30-F47 HydrophobicContact CG-CE1 4.46Å; K30-F47 HydrophobicContact CG-CE2 4.2Å; K30-F47 HydrophobicContact CG-CZ 4.19Å; K30-F47 VanDerWaalsContact O-CB 3.28Å; K30-F47 WeakPolarHBondContact O-CB 3.28Å; K30-N76 PolarHBondContact O-ND2 3.39Å |
| 31 | H | 88.6 | Confident | 77.8 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -109.3 | 13.8 | -179.7 | -67.1 | -74.3 | 0 | 0 | 0 | 111.5 | L28 Y29 N76 R78 P79 E82 F225 F238 S240 | L28-H31 HydrophobicContact CB-CB 3.98Å; L28-H31 CarbonylContact O-C 3.6Å; L28-H31 WeakPolarHBondContact O-CA 3.07Å; L28-H31 PolarHBondContact O-N 3.01Å; Y29-H31 PolarHBondContact O-N 3.2Å; H31-N76 WeakPolarHBondContact CA-ND2 3.25Å; H31-R78 PolarHBondContact CE1-O 3.14Å; H31-R78 VanDerWaalsContact CE1-O 3.26Å; H31-P79 VanDerWaalsContact CE1-C 3.49Å; H31-P79 PolarHBondContact CE1-O 2.89Å; H31-P79 VanDerWaalsContact CE1-O 3.28Å; H31-E82 IonicContact CD2-OE1 2.61Å; H31-E82 IonicContact CD2-OE2 3.92Å; H31-E82 IonicContact NE2-OE1 3.74Å; H31-E82 IonicContact NE2-OE2 3.09Å; H31-E82 PolarHBondContact NE2-OE2 3.09Å; H31-F225 HydrophobicContact CB-CD2 4.17Å; H31-F225 HydrophobicContact CB-CE2 4.26Å; H31-F225 AromaticContact ND1-CD2 3.82Å; H31-F238 WeakPolarHBondContact O-CD1 3.31Å; H31-F238 VanDerWaalsContact O-CE1 3.26Å; H31-F238 WeakPolarHBondContact O-CE1 3.21Å; H31-S240 WeakPolarHBondContact CB-OG 3.36Å; H31-S240 PolarHBondContact O-OG 3.45Å |
| 32 | S | 85.9 | Confident | 78.7 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 6% | 0.056 | 34% | 0.34 | C | S | . | . | trans | -136.1 | 153.6 | -171.4 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | Y27 L28 Y29 F238 S240 | Y27-S32 WeakPolarHBondContact CE2-OG 3.12Å; Y27-S32 WeakPolarHBondContact OH-CB 2.94Å; L28-S32 WeakPolarHBondContact O-CB 3.32Å; L28-S32 PolarHBondContact O-N 2.83Å; L28-S32 PolarHBondContact O-OG 3.03Å; Y29-S32 PolarHBondContact O-N 3.38Å; Y29-S32 VanDerWaalsContact O-N 3.1Å; Y29-S32 VanDerWaalsContact O-O 3.06Å; S32-F238 CarbonylContact C-O 3.49Å; S32-F238 VanDerWaalsContact CA-O 3.28Å; S32-F238 WeakPolarHBondContact CA-O 3.41Å; S32-S240 PolarHBondContact OG-N 3.16Å; S32-S240 PolarHBondContact OG-OG 3.42Å | ||
| 33 | F | 81.9 | Confident | 79.4 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 4% | 0.044 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 145.3 | 165 | 59.6 | -105 | 0 | 0 | 0 | 109.7 | L38 I45 W48 L61 L227 L235 F238 | F33-L38 HydrophobicContact CB-CD2 3.74Å; F33-L38 HydrophobicContact CD2-CD2 3.42Å; F33-L38 VanDerWaalsContact CD2-CD2 3.42Å; F33-L38 HydrophobicContact CE2-CD2 4.41Å; F33-L38 HydrophobicContact CG-CD2 3.98Å; F33-I45 HydrophobicContact CB-CG2 3.78Å; F33-I45 HydrophobicContact CD1-CG2 4.03Å; F33-I45 HydrophobicContact CG-CG2 4.07Å; F33-W48 AromaticContact CD1-CD1 3.82Å; F33-W48 AromaticContact CD1-CD2 3.75Å; F33-W48 HydrophobicContact CD1-CD2 3.75Å; F33-W48 AromaticContact CD1-CE2 3.43Å; F33-W48 VanDerWaalsContact CD1-CE2 3.43Å; F33-W48 HydrophobicContact CD1-CE3 4.39Å; F33-W48 HydrophobicContact CD1-CG 4.02Å; F33-W48 HydrophobicContact CD1-CH2 4.45Å; F33-W48 AromaticContact CD1-CZ2 3.84Å; F33-W48 HydrophobicContact CD1-CZ2 3.84Å; F33-W48 AromaticContact CD1-NE1 3.5Å; F33-W48 AromaticContact CE1-CD2 3.66Å; F33-W48 HydrophobicContact CE1-CD2 3.66Å; F33-W48 AromaticContact CE1-CE2 3.56Å; F33-W48 AromaticContact CE1-CE3 3.82Å; F33-W48 HydrophobicContact CE1-CE3 3.82Å; F33-W48 HydrophobicContact CE1-CG 4.3Å; F33-W48 AromaticContact CE1-CH2 3.82Å; F33-W48 HydrophobicContact CE1-CH2 3.82Å; F33-W48 AromaticContact CE1-CZ2 3.66Å; F33-W48 HydrophobicContact CE1-CZ2 3.66Å; F33-W48 AromaticContact CE1-CZ3 3.9Å; F33-W48 HydrophobicContact CE1-CZ3 3.9Å; F33-L61 HydrophobicContact CE1-CD2 4.24Å; F33-L61 HydrophobicContact CE2-CB 4.32Å; F33-L61 HydrophobicContact CE2-CD2 4.27Å; F33-L61 HydrophobicContact CZ-CD2 3.68Å; F33-L227 HydrophobicContact CE1-CD1 4.34Å; F33-L227 HydrophobicContact CZ-CD1 3.93Å; F33-L235 HydrophobicContact CZ-CD1 4.45Å; F33-F238 CarbonylContact C-O 3.52Å; F33-F238 HydrophobicContact CD1-CB 3.99Å; F33-F238 HydrophobicContact CD2-CB 4.02Å; F33-F238 HydrophobicContact CE1-CB 3.54Å; F33-F238 HydrophobicContact CE1-CG 4.14Å; F33-F238 HydrophobicContact CE2-CB 3.6Å; F33-F238 HydrophobicContact CG-CB 4.22Å; F33-F238 HydrophobicContact CZ-CB 3.34Å; F33-F238 HydrophobicContact CZ-CG 4.25Å; F33-F238 PolarHBondContact N-O 3.49Å; F33-F238 CarbonylContact O-C 3.49Å; F33-F238 PolarHBondContact O-N 3.14Å |
| 34 | Y | 78.7 | Confident | 80.1 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 21% | 0.208 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 148.8 | 176.9 | 59.8 | -83.2 | 0 | 0 | 0 | 110.8 | L38 D302 | Y34-L38 WeakPolarHBondContact O-CD2 3.27Å; Y34-D302 PolarHBondContact OH-OD1 3.1Å |
| 35 | A | 71 | Confident | 80.6 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -75.3 | 154.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L38 E59 | A35-L38 HydrophobicContact CB-CD1 4.29Å; A35-L38 HydrophobicContact CB-CG 4.33Å; A35-E59 WeakPolarHBondContact CB-O 3.42Å |
| 36 | P | 76.2 | Confident | 81 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | S | Bend | cis | -82.6 | 171.6 | -4.8 | 34.5 | -35.9 | 0 | 0 | 0 | 113.2 | ||
| 37 | K | 72.3 | Confident | 81.5 | Confident | 162 Ų | 162 | 63.8 Ų | 63.8 | 70% | 0.704 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 65.1 | 48.9 | -178.4 | -55.3 | -176 | 178.1 | -172.3 | 0 | 113.5 | N39 P58 | K37-N39 VanDerWaalsContact C-N 3.33Å; K37-N39 PolarHBondContact O-N 3.2Å; K37-P58 WeakPolarHBondContact CA-O 3.47Å; K37-P58 PolarHBondContact N-O 3.15Å |
| 38 | L | 76.3 | Confident | 82 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | trans | -63.5 | -38.1 | 177.3 | -78 | 169.6 | 0 | 0 | 0 | 113.4 | F33 Y34 A35 G57 P58 E59 L60 | F33-L38 HydrophobicContact CB-CD2 3.74Å; F33-L38 HydrophobicContact CD2-CD2 3.42Å; F33-L38 VanDerWaalsContact CD2-CD2 3.42Å; F33-L38 HydrophobicContact CE2-CD2 4.41Å; F33-L38 HydrophobicContact CG-CD2 3.98Å; Y34-L38 WeakPolarHBondContact O-CD2 3.27Å; A35-L38 HydrophobicContact CB-CD1 4.29Å; A35-L38 HydrophobicContact CB-CG 4.33Å; L38-G57 WeakPolarHBondContact CB-O 3.41Å; L38-P58 PolarHBondContact N-O 2.68Å; L38-E59 VanDerWaalsContact CD1-C 3.48Å; L38-L60 VanDerWaalsContact CD1-C 3.44Å | ||
| 39 | N | 75.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -102.2 | 145.8 | -177.5 | 65.5 | -6.3 | 0 | 0 | 0 | 111.5 | K37 R44 A56 P58 | K37-N39 VanDerWaalsContact C-N 3.33Å; K37-N39 PolarHBondContact O-N 3.2Å; N39-R44 CarbonylContact C-O 3.59Å; N39-R44 WeakPolarHBondContact CA-O 3.27Å; N39-A56 HydrophobicContact CB-CB 3.93Å; N39-A56 PolarHBondContact ND2-O 3.44Å; N39-P58 VanDerWaalsContact OD1-CA 3.29Å; N39-P58 WeakPolarHBondContact OD1-CA 3.33Å |
| 40 | L | 80.4 | Confident | 83 | Confident | 76 Ų | 76 | 60.3 Ų | 60.3 | 40% | 0.398 | 30% | 0.302 | S | S | . | . | trans | -70.7 | 168.5 | 166.5 | -60.6 | 175.6 | 0 | 0 | 0 | 109.6 | T42 G43 R44 P46 | L40-T42 PolarHBondContact O-N 3.46Å; L40-G43 PolarHBondContact O-N 2.86Å; L40-R44 PolarHBondContact N-O 3.23Å; L40-P46 HydrophobicContact CD1-CG 4.18Å; L40-P46 HydrophobicContact CD2-CG 3.92Å; L40-P46 HydrophobicContact CG-CG 3.93Å | ||
| 41 | R | 77.9 | Confident | 83.4 | Confident | 191 Ų | 191 | 61.3 Ų | 61.3 | 72% | 0.721 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.2 | 171.6 | -67.9 | -173 | 176.3 | -169 | 11.6 | 113 | G43 E296 | R41-G43 PolarHBondContact O-N 3.21Å; R41-E296 VanDerWaalsContact CZ-CD 3.44Å; R41-E296 IonicContact CZ-OE1 2.7Å; R41-E296 IonicContact NE-OE1 2.72Å; R41-E296 PolarHBondContact NE-OE1 3.29Å; R41-E296 IonicContact NH1-OE1 3.12Å; R41-E296 PolarHBondContact NH1-OE1 2.93Å; R41-E296 IonicContact NH2-OE1 2.69Å; R41-E296 PolarHBondContact NH2-OE1 2.69Å |
| 42 | T | 78.8 | Confident | 83.7 | Confident | 104 Ų | 104 | 63.5 Ų | 63.5 | 64% | 0.638 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -4.2 | 175.1 | 60.2 | 0 | 0 | 0 | 0 | 114.4 | L40 R44 | L40-T42 PolarHBondContact O-N 3.46Å; T42-R44 VanDerWaalsContact C-N 3.29Å; T42-R44 PolarHBondContact O-N 2.84Å |
| 43 | G | 78.7 | Confident | 84.1 | Confident | 38 Ų | 38 | 65.4 Ų | 65.4 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 77.6 | 10.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L40 R41 A56 | L40-G43 PolarHBondContact O-N 2.86Å; R41-G43 PolarHBondContact O-N 3.21Å; G43-A56 WeakPolarHBondContact O-CB 3.39Å |
| 44 | R | 85.2 | Confident | 84.7 | Confident | 160 Ų | 160 | 65.6 Ų | 65.6 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 147.2 | -179.8 | -63 | 179.5 | 62.7 | -169.5 | 0.2 | 111.9 | N39 L40 T42 | N39-R44 CarbonylContact C-O 3.59Å; N39-R44 WeakPolarHBondContact CA-O 3.27Å; L40-R44 PolarHBondContact N-O 3.23Å; T42-R44 VanDerWaalsContact C-N 3.29Å; T42-R44 PolarHBondContact O-N 2.84Å |
| 45 | I | 86.7 | Confident | 85.2 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -87 | 126.8 | 167.8 | -60.6 | 175.3 | 0 | 0 | 0 | 108 | F33 F47 W48 A56 L61 | F33-I45 HydrophobicContact CB-CG2 3.78Å; F33-I45 HydrophobicContact CD1-CG2 4.03Å; F33-I45 HydrophobicContact CG-CG2 4.07Å; I45-F47 PolarHBondContact O-N 3.25Å; I45-W48 HydrophobicContact CB-CB 3.96Å; I45-W48 HydrophobicContact CG2-CB 3.9Å; I45-W48 HydrophobicContact CG2-CG 4.04Å; I45-W48 PolarHBondContact O-N 3.42Å; I45-W48 VanDerWaalsContact O-O 3.12Å; I45-A56 HydrophobicContact CD1-CB 3.97Å; I45-A56 HydrophobicContact CG1-CB 3.67Å; I45-L61 HydrophobicContact CD1-CB 4.02Å; I45-L61 HydrophobicContact CD1-CD1 3.96Å; I45-L61 HydrophobicContact CD1-CD2 4.01Å; I45-L61 HydrophobicContact CD1-CG 4.22Å |
| 46 | P | 87.5 | Confident | 86 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130.5 | 178.3 | -26.3 | 34.5 | 0 | 0 | 0 | 111.9 | L40 W48 | L40-P46 HydrophobicContact CD1-CG 4.18Å; L40-P46 HydrophobicContact CD2-CG 3.92Å; L40-P46 HydrophobicContact CG-CG 3.93Å; P46-W48 VanDerWaalsContact O-CD1 3.29Å; P46-W48 PolarHBondContact O-N 3.47Å |
| 47 | F | 91.1 | Very high | 86.4 | Confident | 70 Ų | 70 | 63.3 Ų | 63.3 | 31% | 0.307 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 10.6 | -178.4 | -41.8 | -69.7 | 0 | 0 | 0 | 116.2 | Y29 K30 I45 N76 V77 | Y29-F47 HydrophobicContact CD2-CE2 4.13Å; Y29-F47 HydrophobicContact CE2-CE2 4.01Å; Y29-F47 HydrophobicContact CE2-CZ 4.16Å; K30-F47 HydrophobicContact CB-CD2 4.34Å; K30-F47 HydrophobicContact CB-CG 4.43Å; K30-F47 HydrophobicContact CG-CD2 4.48Å; K30-F47 HydrophobicContact CG-CE1 4.46Å; K30-F47 HydrophobicContact CG-CE2 4.2Å; K30-F47 HydrophobicContact CG-CZ 4.19Å; K30-F47 VanDerWaalsContact O-CB 3.28Å; K30-F47 WeakPolarHBondContact O-CB 3.28Å; I45-F47 PolarHBondContact O-N 3.25Å; F47-N76 WeakPolarHBondContact O-CA 3.33Å; F47-N76 PolarHBondContact O-ND2 3.41Å; F47-V77 HydrophobicContact CB-CG2 4.3Å; F47-V77 WeakPolarHBondContact O-CG2 3.44Å; F47-V77 PolarHBondContact O-N 2.81Å |
| 48 | W | 93.9 | Very high | 86.7 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.8 | 176 | -70.1 | 74.1 | 0 | 0 | 0 | 111 | F33 I45 P46 A74 W75 N76 F225 L227 F238 | F33-W48 AromaticContact CD1-CD1 3.82Å; F33-W48 AromaticContact CD1-CD2 3.75Å; F33-W48 HydrophobicContact CD1-CD2 3.75Å; F33-W48 AromaticContact CD1-CE2 3.43Å; F33-W48 VanDerWaalsContact CD1-CE2 3.43Å; F33-W48 HydrophobicContact CD1-CE3 4.39Å; F33-W48 HydrophobicContact CD1-CG 4.02Å; F33-W48 HydrophobicContact CD1-CH2 4.45Å; F33-W48 AromaticContact CD1-CZ2 3.84Å; F33-W48 HydrophobicContact CD1-CZ2 3.84Å; F33-W48 AromaticContact CD1-NE1 3.5Å; F33-W48 AromaticContact CE1-CD2 3.66Å; F33-W48 HydrophobicContact CE1-CD2 3.66Å; F33-W48 AromaticContact CE1-CE2 3.56Å; F33-W48 AromaticContact CE1-CE3 3.82Å; F33-W48 HydrophobicContact CE1-CE3 3.82Å; F33-W48 HydrophobicContact CE1-CG 4.3Å; F33-W48 AromaticContact CE1-CH2 3.82Å; F33-W48 HydrophobicContact CE1-CH2 3.82Å; F33-W48 AromaticContact CE1-CZ2 3.66Å; F33-W48 HydrophobicContact CE1-CZ2 3.66Å; F33-W48 AromaticContact CE1-CZ3 3.9Å; F33-W48 HydrophobicContact CE1-CZ3 3.9Å; I45-W48 HydrophobicContact CB-CB 3.96Å; I45-W48 HydrophobicContact CG2-CB 3.9Å; I45-W48 HydrophobicContact CG2-CG 4.04Å; I45-W48 PolarHBondContact O-N 3.42Å; I45-W48 VanDerWaalsContact O-O 3.12Å; P46-W48 VanDerWaalsContact O-CD1 3.29Å; P46-W48 PolarHBondContact O-N 3.47Å; W48-A74 HydrophobicContact CE3-CB 4.07Å; W48-A74 HydrophobicContact CZ3-CB 4.37Å; W48-W75 CarbonylContact C-O 3.54Å; W48-W75 VanDerWaalsContact CA-O 3.26Å; W48-W75 WeakPolarHBondContact CA-O 3.21Å; W48-W75 VanDerWaalsContact CE3-C 3.46Å; W48-N76 HydrophobicContact CD2-CB 4.28Å; W48-N76 HydrophobicContact CH2-CB 4.38Å; W48-N76 HydrophobicContact CZ2-CB 4.12Å; W48-N76 PolarHBondContact NE1-ND2 3.42Å; W48-N76 VanDerWaalsContact NE1-ND2 3.14Å; W48-F225 HydrophobicContact CH2-CB 4.31Å; W48-L227 HydrophobicContact CH2-CD1 4.28Å; W48-L227 HydrophobicContact CZ3-CD1 4.18Å; W48-F238 AromaticContact CH2-CD1 3.73Å; W48-F238 HydrophobicContact CH2-CD1 3.73Å; W48-F238 HydrophobicContact CH2-CD2 4.21Å; W48-F238 AromaticContact CH2-CE1 3.67Å; W48-F238 HydrophobicContact CH2-CE1 3.67Å; W48-F238 HydrophobicContact CH2-CE2 4.12Å; W48-F238 HydrophobicContact CH2-CG 4Å; W48-F238 AromaticContact CH2-CZ 3.86Å; W48-F238 HydrophobicContact CH2-CZ 3.86Å; W48-F238 AromaticContact CZ2-CD1 3.46Å; W48-F238 HydrophobicContact CZ2-CD1 3.46Å; W48-F238 VanDerWaalsContact CZ2-CD1 3.46Å; W48-F238 AromaticContact CZ2-CE1 3.58Å; W48-F238 HydrophobicContact CZ2-CE1 3.58Å; W48-F238 HydrophobicContact CZ2-CG 4.07Å; W48-F238 HydrophobicContact CZ2-CZ 4.25Å |
| 49 | E | 95 | Very high | 86.9 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 24% | 0.243 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139 | 171.2 | 67.1 | -170.5 | -163.5 | 0 | 0 | 109.6 | A74 W75 V77 K113 | E49-A74 CarbonylContact O-C 3.49Å; E49-A74 WeakPolarHBondContact O-CA 3.23Å; E49-W75 HydrophobicContact CG-CB 3.88Å; E49-W75 PolarHBondContact N-O 2.89Å; E49-W75 PolarHBondContact O-N 3.43Å; E49-V77 HydrophobicContact CB-CG1 4.03Å; E49-V77 HydrophobicContact CG-CG1 4.19Å; E49-K113 WeakPolarHBondContact OE1-CD 3.36Å; E49-K113 WeakPolarHBondContact OE1-CE 3.47Å; E49-K113 IonicContact OE1-NZ 3.26Å; E49-K113 PolarHBondContact OE1-NZ 3.48Å; E49-K113 IonicContact OE2-NZ 2.79Å; E49-K113 PolarHBondContact OE2-NZ 3.49Å |
| 50 | L | 94.4 | Very high | 87.4 | Confident | 49 Ų | 49 | 64.9 Ų | 64.9 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.4 | -179.9 | -56.4 | -174.2 | 0 | 0 | 0 | 108.5 | A54 A56 L61 I73 A74 | L50-A54 HydrophobicContact CB-CB 4.15Å; L50-A54 HydrophobicContact CD2-CB 4.45Å; L50-A56 HydrophobicContact CD1-CB 3.72Å; L50-L61 HydrophobicContact CD1-CD1 3.72Å; L50-L61 HydrophobicContact CD2-CD1 3.82Å; L50-L61 HydrophobicContact CD2-CD2 4.27Å; L50-L61 HydrophobicContact CG-CD1 4.47Å; L50-I73 WeakPolarHBondContact CA-O 3.36Å; L50-A74 HydrophobicContact CD2-CB 3.31Å |
| 51 | E | 95.8 | Very high | 87.8 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.6 | 171.5 | -59 | -173.7 | 173.8 | 0 | 0 | 110.8 | G72 I73 L116 | E51-G72 WeakPolarHBondContact O-CA 3.45Å; E51-I73 HydrophobicContact CB-CD1 3.94Å; E51-I73 HydrophobicContact CB-CG1 3.71Å; E51-I73 HydrophobicContact CG-CD1 4.36Å; E51-I73 HydrophobicContact CG-CG1 4.42Å; E51-I73 PolarHBondContact N-O 3Å; E51-I73 VanDerWaalsContact N-O 3.09Å; E51-I73 PolarHBondContact O-N 3.19Å; E51-I73 VanDerWaalsContact O-N 3.09Å; E51-L116 HydrophobicContact CB-CD1 4.46Å; E51-L116 HydrophobicContact CB-CG 4.38Å |
| 52 | G | 95.3 | Very high | 88.5 | Confident | 48 Ų | 48 | 56.7 Ų | 56.7 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 75.8 | -135.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A54 N71 | G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 2.85Å; G52-N71 WeakPolarHBondContact CA-O 3.39Å |
| 53 | D | 94 | Very high | 89.2 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 25% | 0.251 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 12.6 | -178.2 | -57.6 | -78 | 0 | 0 | 0 | 113.2 | L63 K70 N71 | D53-L63 CarbonylContact C-O 3.55Å; D53-K70 HydrophobicContact CB-CB 4.4Å; D53-K70 HydrophobicContact CB-CD 4.13Å; D53-K70 WeakPolarHBondContact OD1-CD 3.32Å; D53-K70 IonicContact OD1-NZ 3.45Å; D53-K70 PolarHBondContact OD1-NZ 3.23Å; D53-K70 WeakPolarHBondContact OD2-CA 3.5Å; D53-K70 WeakPolarHBondContact OD2-CD 3.31Å; D53-K70 IonicContact OD2-NZ 2.67Å; D53-N71 PolarHBondContact N-O 2.88Å; D53-N71 PolarHBondContact OD2-N 3.47Å |
| 54 | A | 93.3 | Very high | 89.8 | Confident | 15 Ų | 15 | 50 Ų | 50 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | trans | -74.3 | 127.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L50 G52 R62 L63 | L50-A54 HydrophobicContact CB-CB 4.15Å; L50-A54 HydrophobicContact CD2-CB 4.45Å; G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 2.85Å; A54-R62 CarbonylContact C-O 3.55Å; A54-R62 WeakPolarHBondContact CA-O 3.09Å; A54-L63 WeakPolarHBondContact CA-O 3.27Å; A54-L63 PolarHBondContact N-O 3.22Å | ||
| 55 | I | 90.4 | Very high | 89.8 | Confident | 98 Ų | 98 | 43.8 Ų | 43.8 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 120.6 | -175.9 | -58.1 | 168.6 | 0 | 0 | 0 | 109.3 | G57 R62 | I55-G57 PolarHBondContact O-N 2.7Å; I55-R62 PolarHBondContact N-O 2.9Å; I55-R62 PolarHBondContact O-N 3.31Å |
| 56 | A | 88.5 | Confident | 89.6 | Confident | 12 Ų | 12 | 47 Ų | 47 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 106.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N39 G43 I45 L50 | N39-A56 HydrophobicContact CB-CB 3.93Å; N39-A56 PolarHBondContact ND2-O 3.44Å; G43-A56 WeakPolarHBondContact O-CB 3.39Å; I45-A56 HydrophobicContact CD1-CB 3.97Å; I45-A56 HydrophobicContact CG1-CB 3.67Å; L50-A56 HydrophobicContact CD1-CB 3.72Å |
| 57 | G | 83.7 | Confident | 89.4 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | trans | -88 | 169.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | L38 I55 E59 L60 | L38-G57 WeakPolarHBondContact CB-O 3.41Å; I55-G57 PolarHBondContact O-N 2.7Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.38Å; G57-L60 VanDerWaalsContact CA-O 3.27Å; G57-L60 WeakPolarHBondContact CA-O 3.26Å; G57-L60 PolarHBondContact N-O 2.73Å | ||
| 58 | P | 79.4 | Confident | 89.1 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 53% | 0.526 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -67.3 | -31 | 176.8 | 26.8 | -34 | 0 | 0 | 0 | 113 | K37 L38 N39 | K37-P58 WeakPolarHBondContact CA-O 3.47Å; K37-P58 PolarHBondContact N-O 3.15Å; L38-P58 PolarHBondContact N-O 2.68Å; N39-P58 VanDerWaalsContact OD1-CA 3.29Å; N39-P58 WeakPolarHBondContact OD1-CA 3.33Å |
| 59 | E | 79.1 | Confident | 88.8 | Confident | 134 Ų | 134 | 59 Ų | 59 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -108.3 | -23.5 | -175.4 | -63.7 | -175.3 | 168.6 | 0 | 0 | 114.1 | A35 L38 G57 | A35-E59 WeakPolarHBondContact CB-O 3.42Å; L38-E59 VanDerWaalsContact CD1-C 3.48Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.38Å |
| 60 | L | 85.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | trans | -150.8 | 151.4 | 179.2 | 60.5 | 84.9 | 0 | 0 | 0 | 111 | L38 G57 R62 M234 L235 Y236 | L38-L60 VanDerWaalsContact CD1-C 3.44Å; G57-L60 VanDerWaalsContact CA-O 3.27Å; G57-L60 WeakPolarHBondContact CA-O 3.26Å; G57-L60 PolarHBondContact N-O 2.73Å; L60-R62 HydrophobicContact CD1-CB 3.99Å; L60-M234 HydrophobicContact CD1-CB 4.44Å; L60-L235 CarbonylContact C-O 3.43Å; L60-L235 WeakPolarHBondContact CA-O 3.27Å; L60-L235 VanDerWaalsContact CB-O 3.25Å; L60-L235 WeakPolarHBondContact CB-O 3.31Å; L60-Y236 HydrophobicContact CB-CD1 4.33Å; L60-Y236 HydrophobicContact CD2-CD1 4.36Å; L60-Y236 HydrophobicContact CD2-CE1 3.8Å | ||
| 61 | L | 90.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115.8 | 164.7 | 168.5 | 59.6 | 0 | 0 | 0 | 107.6 | F33 I45 L50 L63 A74 L235 | F33-L61 HydrophobicContact CE1-CD2 4.24Å; F33-L61 HydrophobicContact CE2-CB 4.32Å; F33-L61 HydrophobicContact CE2-CD2 4.27Å; F33-L61 HydrophobicContact CZ-CD2 3.68Å; I45-L61 HydrophobicContact CD1-CB 4.02Å; I45-L61 HydrophobicContact CD1-CD1 3.96Å; I45-L61 HydrophobicContact CD1-CD2 4.01Å; I45-L61 HydrophobicContact CD1-CG 4.22Å; L50-L61 HydrophobicContact CD1-CD1 3.72Å; L50-L61 HydrophobicContact CD2-CD1 3.82Å; L50-L61 HydrophobicContact CD2-CD2 4.27Å; L50-L61 HydrophobicContact CG-CD1 4.47Å; L61-L63 HydrophobicContact CD2-CD2 4.19Å; L61-L63 HydrophobicContact CG-CD2 4.37Å; L61-A74 HydrophobicContact CD2-CB 3.71Å; L61-L235 HydrophobicContact CB-CB 4.11Å; L61-L235 HydrophobicContact CD2-CD1 3.77Å; L61-L235 HydrophobicContact CG-CB 4.47Å; L61-L235 HydrophobicContact CG-CD1 4.21Å; L61-L235 PolarHBondContact N-O 3.46Å; L61-L235 WeakPolarHBondContact O-CA 3.39Å; L61-L235 WeakPolarHBondContact O-CB 3.33Å; L61-L235 PolarHBondContact O-N 2.83Å |
| 62 | R | 91.4 | Very high | 88.7 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 36% | 0.358 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.1 | 171.6 | -179.1 | 175.4 | -66.1 | 167.4 | 1.8 | 107.8 | A54 I55 L60 V64 | A54-R62 CarbonylContact C-O 3.55Å; A54-R62 WeakPolarHBondContact CA-O 3.09Å; I55-R62 PolarHBondContact N-O 2.9Å; I55-R62 PolarHBondContact O-N 3.31Å; L60-R62 HydrophobicContact CD1-CB 3.99Å; R62-V64 WeakPolarHBondContact CG-O 2.91Å |
| 63 | L | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -42.8 | 176.8 | -70.4 | 173.2 | 0 | 0 | 0 | 110.7 | D53 A54 L61 G72 A74 M105 L227 A229 G233 L235 | D53-L63 CarbonylContact C-O 3.55Å; A54-L63 WeakPolarHBondContact CA-O 3.27Å; A54-L63 PolarHBondContact N-O 3.22Å; L61-L63 HydrophobicContact CD2-CD2 4.19Å; L61-L63 HydrophobicContact CG-CD2 4.37Å; L63-G72 WeakPolarHBondContact O-CA 3.37Å; L63-A74 HydrophobicContact CD2-CB 3.94Å; L63-M105 HydrophobicContact CD1-CE 4.25Å; L63-L227 HydrophobicContact CD1-CB 4.28Å; L63-L227 HydrophobicContact CD2-CB 4.23Å; L63-A229 HydrophobicContact CB-CB 3.74Å; L63-A229 HydrophobicContact CD1-CB 3.8Å; L63-A229 HydrophobicContact CG-CB 4.45Å; L63-G233 PolarHBondContact N-O 2.85Å; L63-L235 HydrophobicContact CD1-CD1 3.59Å; L63-L235 HydrophobicContact CD1-CG 3.9Å; L63-L235 HydrophobicContact CD2-CD1 3.87Å; L63-L235 HydrophobicContact CG-CD1 3.61Å; L63-L235 HydrophobicContact CG-CG 4.05Å |
| 64 | V | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 145.1 | 177.9 | -71.9 | 0 | 0 | 0 | 0 | 110.1 | R62 K70 G72 A229 G232 G233 | R62-V64 WeakPolarHBondContact CG-O 2.91Å; V64-K70 HydrophobicContact CB-CB 4.37Å; V64-K70 HydrophobicContact CG1-CB 4.33Å; V64-K70 WeakPolarHBondContact CG1-O 3.41Å; V64-G72 VanDerWaalsContact CG1-N 3.27Å; V64-A229 HydrophobicContact CG1-CB 4.45Å; V64-A229 VanDerWaalsContact CG1-O 3.24Å; V64-A229 WeakPolarHBondContact CG1-O 3.44Å; V64-A229 HydrophobicContact CG2-CB 3.67Å; V64-G232 VanDerWaalsContact CG2-C 3.45Å; V64-G233 PolarHBondContact N-O 3.5Å; V64-G233 PolarHBondContact O-N 2.97Å |
| 65 | P | 85.3 | Confident | 89.1 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | trans | -68.5 | 163.8 | 170.7 | 31.3 | -35.2 | 0 | 0 | 0 | 111.1 | V67 K70 G232 | P65-V67 HydrophobicContact CB-CG2 4.15Å; P65-V67 HydrophobicContact CG-CB 4.25Å; P65-V67 HydrophobicContact CG-CG2 4.31Å; P65-V67 PolarHBondContact O-N 3.05Å; P65-K70 HydrophobicContact CG-CB 4.37Å; P65-K70 HydrophobicContact CG-CD 4.39Å; P65-K70 HydrophobicContact CG-CG 4.05Å; P65-G232 PolarHBondContact O-N 2.94Å; P65-G232 VanDerWaalsContact O-N 3.17Å | ||
| 66 | S | 82.7 | Confident | 89.3 | Confident | 69 Ų | 69 | 46.1 Ų | 46.1 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -75.4 | 53.3 | 171.8 | -56 | 0 | 0 | 0 | 0 | 111.3 | K95 | S66-K95 PolarHBondContact OG-O 3.33Å; S66-K95 VanDerWaalsContact OG-O 3.05Å |
| 67 | V | 83 | Confident | 89.6 | Confident | 83 Ų | 83 | 48 Ų | 48 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -127.5 | 146 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | P65 K70 T231 | P65-V67 HydrophobicContact CB-CG2 4.15Å; P65-V67 HydrophobicContact CG-CB 4.25Å; P65-V67 HydrophobicContact CG-CG2 4.31Å; P65-V67 PolarHBondContact O-N 3.05Å; V67-K70 HydrophobicContact CB-CG 4.13Å; V67-K70 HydrophobicContact CG1-CG 4.31Å; V67-T231 WeakPolarHBondContact O-CG2 3.15Å |
| 68 | K | 84.7 | Confident | 90.1 | Very high | 185 Ų | 185 | 52.6 Ų | 52.6 | 80% | 0.804 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -65.6 | 151.8 | 179.8 | -62.6 | -175.6 | 180 | -175.6 | 0 | 112 | ||
| 69 | S | 87.7 | Confident | 90.9 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 78% | 0.776 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 56.1 | 50 | 173.6 | -51.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 70 | K | 92.3 | Very high | 91.5 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | trans | -126 | 135 | -178.2 | -68.5 | -71.2 | 170.6 | -170.9 | 0 | 110.2 | D53 V64 P65 V67 A230 T231 | D53-K70 HydrophobicContact CB-CB 4.4Å; D53-K70 HydrophobicContact CB-CD 4.13Å; D53-K70 WeakPolarHBondContact OD1-CD 3.32Å; D53-K70 IonicContact OD1-NZ 3.45Å; D53-K70 PolarHBondContact OD1-NZ 3.23Å; D53-K70 WeakPolarHBondContact OD2-CA 3.5Å; D53-K70 WeakPolarHBondContact OD2-CD 3.31Å; D53-K70 IonicContact OD2-NZ 2.67Å; V64-K70 HydrophobicContact CB-CB 4.37Å; V64-K70 HydrophobicContact CG1-CB 4.33Å; V64-K70 WeakPolarHBondContact CG1-O 3.41Å; P65-K70 HydrophobicContact CG-CB 4.37Å; P65-K70 HydrophobicContact CG-CD 4.39Å; P65-K70 HydrophobicContact CG-CG 4.05Å; V67-K70 HydrophobicContact CB-CG 4.13Å; V67-K70 HydrophobicContact CG1-CG 4.31Å; K70-A230 CarbonylContact O-C 3.31Å; K70-A230 VanDerWaalsContact O-CA 3.32Å; K70-A230 WeakPolarHBondContact O-CA 3.08Å; K70-T231 PolarHBondContact O-N 2.83Å | ||
| 71 | N | 94.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 130.9 | -174.9 | -68.1 | -30.2 | 0 | 0 | 0 | 109.2 | G52 D53 L116 A230 | G52-N71 WeakPolarHBondContact CA-O 3.39Å; D53-N71 PolarHBondContact N-O 2.88Å; D53-N71 PolarHBondContact OD2-N 3.47Å; N71-L116 HydrophobicContact CB-CD2 4.15Å; N71-A230 VanDerWaalsContact OD1-CB 3.24Å; N71-A230 WeakPolarHBondContact OD1-CB 3.38Å |
| 72 | G | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E51 L63 V64 S228 A229 | E51-G72 WeakPolarHBondContact O-CA 3.45Å; L63-G72 WeakPolarHBondContact O-CA 3.37Å; V64-G72 VanDerWaalsContact CG1-N 3.27Å; G72-S228 CarbonylContact O-C 3.41Å; G72-S228 VanDerWaalsContact O-CA 3.31Å; G72-S228 WeakPolarHBondContact O-CA 3.35Å; G72-A229 PolarHBondContact N-O 3.37Å; G72-A229 VanDerWaalsContact N-O 3.07Å; G72-A229 PolarHBondContact O-N 3.47Å |
| 73 | I | 96.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 150.1 | -179.5 | 65.1 | -179.5 | 0 | 0 | 0 | 110.2 | L50 E51 L116 G121 C122 L227 | L50-I73 WeakPolarHBondContact CA-O 3.36Å; E51-I73 HydrophobicContact CB-CD1 3.94Å; E51-I73 HydrophobicContact CB-CG1 3.71Å; E51-I73 HydrophobicContact CG-CD1 4.36Å; E51-I73 HydrophobicContact CG-CG1 4.42Å; E51-I73 PolarHBondContact N-O 3Å; E51-I73 VanDerWaalsContact N-O 3.09Å; E51-I73 PolarHBondContact O-N 3.19Å; E51-I73 VanDerWaalsContact O-N 3.09Å; I73-L116 HydrophobicContact CD1-CD2 4.41Å; I73-L116 HydrophobicContact CD1-CG 4.35Å; I73-L116 HydrophobicContact CG1-CD2 4.22Å; I73-L116 HydrophobicContact CG2-CD2 4.14Å; I73-G121 VanDerWaalsContact CG2-O 3.3Å; I73-G121 WeakPolarHBondContact CG2-O 3.43Å; I73-C122 HydrophobicContact CG2-CB 4.39Å; I73-L227 CarbonylContact C-O 3.49Å; I73-L227 WeakPolarHBondContact CA-O 3.16Å |
| 74 | A | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 120.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | W48 E49 L50 L61 L63 G226 L227 | W48-A74 HydrophobicContact CE3-CB 4.07Å; W48-A74 HydrophobicContact CZ3-CB 4.37Å; E49-A74 CarbonylContact O-C 3.49Å; E49-A74 WeakPolarHBondContact O-CA 3.23Å; L50-A74 HydrophobicContact CD2-CB 3.31Å; L61-A74 HydrophobicContact CD2-CB 3.71Å; L63-A74 HydrophobicContact CD2-CB 3.94Å; A74-G226 CarbonylContact O-C 3.57Å; A74-G226 VanDerWaalsContact O-CA 3.31Å; A74-G226 WeakPolarHBondContact O-CA 3.37Å; A74-L227 HydrophobicContact CB-CB 4.44Å; A74-L227 PolarHBondContact N-O 3.49Å; A74-L227 PolarHBondContact O-N 3.47Å |
| 75 | W | 97.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.011 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.4 | -179.4 | -75.3 | 97.3 | 0 | 0 | 0 | 110.9 | W48 E49 V77 W108 T110 K113 G114 G226 | W48-W75 CarbonylContact C-O 3.54Å; W48-W75 VanDerWaalsContact CA-O 3.26Å; W48-W75 WeakPolarHBondContact CA-O 3.21Å; W48-W75 VanDerWaalsContact CE3-C 3.46Å; E49-W75 HydrophobicContact CG-CB 3.88Å; E49-W75 PolarHBondContact N-O 2.89Å; E49-W75 PolarHBondContact O-N 3.43Å; W75-V77 PolarHBondContact O-N 3.2Å; W75-W108 HydrophobicContact CH2-CB 3.41Å; W75-W108 VanDerWaalsContact CH2-CB 3.41Å; W75-W108 HydrophobicContact CH2-CD2 4.47Å; W75-W108 AromaticContact CH2-CG 3.81Å; W75-W108 HydrophobicContact CH2-CG 3.81Å; W75-W108 HydrophobicContact CZ2-CB 4.12Å; W75-W108 HydrophobicContact CZ2-CG 4.03Å; W75-W108 HydrophobicContact CZ3-CB 3.93Å; W75-T110 HydrophobicContact CH2-CG2 4.2Å; W75-T110 WeakPolarHBondContact CH2-OG1 3.37Å; W75-T110 WeakPolarHBondContact CZ3-OG1 3.28Å; W75-K113 HydrophobicContact CB-CB 4.26Å; W75-K113 HydrophobicContact CB-CD 4.09Å; W75-K113 HydrophobicContact CB-CG 4.15Å; W75-K113 HydrophobicContact CD2-CB 3.97Å; W75-K113 HydrophobicContact CD2-CG 4.34Å; W75-K113 HydrophobicContact CE3-CB 4.12Å; W75-K113 HydrophobicContact CE3-CG 4.15Å; W75-K113 HydrophobicContact CG-CB 4.01Å; W75-K113 HydrophobicContact CG-CG 4.35Å; W75-G114 PolarHBondContact NE1-O 3.49Å; W75-G226 VanDerWaalsContact CE3-CA 3.43Å |
| 76 | N | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133 | 165.6 | -165.2 | -81.5 | 0 | 0 | 0 | 108.9 | K30 H31 F47 W48 R78 Y224 F225 | K30-N76 PolarHBondContact O-ND2 3.39Å; H31-N76 WeakPolarHBondContact CA-ND2 3.25Å; F47-N76 WeakPolarHBondContact O-CA 3.33Å; F47-N76 PolarHBondContact O-ND2 3.41Å; W48-N76 HydrophobicContact CD2-CB 4.28Å; W48-N76 HydrophobicContact CH2-CB 4.38Å; W48-N76 HydrophobicContact CZ2-CB 4.12Å; W48-N76 PolarHBondContact NE1-ND2 3.42Å; W48-N76 VanDerWaalsContact NE1-ND2 3.14Å; N76-R78 VanDerWaalsContact C-N 3.26Å; N76-R78 PolarHBondContact O-N 2.89Å; N76-R78 WeakPolarHBondContact OD1-CA 3.27Å; N76-R78 WeakPolarHBondContact OD1-CB 3.29Å; N76-R78 PolarHBondContact OD1-N 3.46Å; N76-R78 PolarHBondContact OD1-O 2.89Å; N76-Y224 WeakPolarHBondContact O-CD1 3.42Å; N76-F225 HydrophobicContact CB-CB 4.29Å; N76-F225 PolarHBondContact N-O 3.5Å |
| 77 | V | 95.4 | Very high | 92 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -79.2 | -12.5 | -178.8 | -54.2 | 0 | 0 | 0 | 0 | 112.6 | F47 E49 W75 | F47-V77 HydrophobicContact CB-CG2 4.3Å; F47-V77 WeakPolarHBondContact O-CG2 3.44Å; F47-V77 PolarHBondContact O-N 2.81Å; E49-V77 HydrophobicContact CB-CG1 4.03Å; E49-V77 HydrophobicContact CG-CG1 4.19Å; W75-V77 PolarHBondContact O-N 3.2Å |
| 78 | R | 93.5 | Very high | 92.7 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -107.4 | 135 | -179.3 | -65 | -172 | 172.6 | -88 | -3.7 | 110.4 | H31 N76 | H31-R78 PolarHBondContact CE1-O 3.14Å; H31-R78 VanDerWaalsContact CE1-O 3.26Å; N76-R78 VanDerWaalsContact C-N 3.26Å; N76-R78 PolarHBondContact O-N 2.89Å; N76-R78 WeakPolarHBondContact OD1-CA 3.27Å; N76-R78 WeakPolarHBondContact OD1-CB 3.29Å; N76-R78 PolarHBondContact OD1-N 3.46Å; N76-R78 PolarHBondContact OD1-O 2.89Å |
| 79 | P | 95.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 25% | 0.247 | 21% | 0.213 | C | C | . | . | trans | -72.6 | 151.2 | 169.1 | 29.6 | -32.1 | 0 | 0 | 0 | 110.7 | H31 I81 N222 G223 Y224 | H31-P79 VanDerWaalsContact CE1-C 3.49Å; H31-P79 PolarHBondContact CE1-O 2.89Å; H31-P79 VanDerWaalsContact CE1-O 3.28Å; P79-I81 HydrophobicContact CB-CG2 4.5Å; P79-I81 HydrophobicContact CG-CG2 4.13Å; P79-I81 PolarHBondContact O-N 3.46Å; P79-N222 HydrophobicContact CB-CB 4.13Å; P79-N222 WeakPolarHBondContact CB-O 3.48Å; P79-G223 CarbonylContact C-O 3.52Å; P79-G223 WeakPolarHBondContact CA-O 2.93Å; P79-Y224 HydrophobicContact CB-CD1 4.43Å; P79-Y224 HydrophobicContact CB-CE1 4.02Å; P79-Y224 HydrophobicContact CB-CE2 4.15Å; P79-Y224 HydrophobicContact CG-CE1 4.28Å | ||
| 80 | L | 92 | Very high | 93.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | trans | -74.7 | 100.5 | 174 | 178.8 | 70 | 0 | 0 | 0 | 110 | L28 S83 W86 Y109 N222 G223 F225 | L28-L80 HydrophobicContact CD1-CD1 3.38Å; L80-S83 WeakPolarHBondContact CD2-O 3.31Å; L80-W86 HydrophobicContact CD2-CB 3.92Å; L80-W86 HydrophobicContact CD2-CG 3.72Å; L80-Y109 HydrophobicContact CB-CE2 4.07Å; L80-Y109 HydrophobicContact CD2-CE2 3.93Å; L80-N222 WeakPolarHBondContact O-CA 3.37Å; L80-N222 PolarHBondContact O-OD1 3.38Å; L80-G223 PolarHBondContact N-O 3.42Å; L80-F225 HydrophobicContact CB-CE2 4.21Å; L80-F225 HydrophobicContact CD1-CE2 4.2Å; L80-F225 HydrophobicContact CD2-CE2 4.25Å; L80-F225 HydrophobicContact CD2-CZ 3.9Å; L80-F225 HydrophobicContact CG-CE2 4.45Å | ||
| 81 | I | 90 | Very high | 93.6 | Very high | 116 Ų | 116 | 34.7 Ų | 34.7 | 60% | 0.595 | 17% | 0.172 | S | C | * | . | trans | -103.9 | -14.9 | -179.5 | 62.5 | 170 | 0 | 0 | 0 | 112.5 | P79 N222 | P79-I81 HydrophobicContact CB-CG2 4.5Å; P79-I81 HydrophobicContact CG-CG2 4.13Å; P79-I81 PolarHBondContact O-N 3.46Å; I81-N222 HydrophobicContact CG2-CB 4.42Å | ||
| 82 | E | 85.1 | Confident | 93.5 | Very high | 67 Ų | 67 | 32.2 Ų | 32.2 | 31% | 0.313 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -75 | -29.3 | -168.4 | -67.6 | 89.2 | 159.1 | 0 | 0 | 113.7 | L28 H31 | L28-E82 HydrophobicContact CD1-CB 4.41Å; L28-E82 HydrophobicContact CD2-CB 4.09Å; L28-E82 HydrophobicContact CD2-CG 3.83Å; H31-E82 IonicContact CD2-OE1 2.61Å; H31-E82 IonicContact CD2-OE2 3.92Å; H31-E82 IonicContact NE2-OE1 3.74Å; H31-E82 IonicContact NE2-OE2 3.09Å; H31-E82 PolarHBondContact NE2-OE2 3.09Å |
| 83 | S | 86.3 | Confident | 93.3 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 16% | 0.161 | 16% | 0.161 | C | C | . | . | trans | -163.6 | 152.8 | 177.7 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | L80 W85 R243 | L80-S83 WeakPolarHBondContact CD2-O 3.31Å; S83-W85 WeakPolarHBondContact CB-O 3.34Å; S83-W85 PolarHBondContact OG-N 2.87Å; S83-W85 PolarHBondContact OG-O 3.33Å; S83-R243 PolarHBondContact OG-O 2.83Å | ||
| 84 | Q | 87.3 | Confident | 93 | Very high | 136 Ų | 136 | 33.1 Ų | 33.1 | 64% | 0.636 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -75.8 | -14.6 | 167.2 | -66.1 | -178.7 | -14 | 0 | 0 | 112.5 | Y189 | Q84-Y189 WeakPolarHBondContact O-CD1 3.45Š|
| 85 | W | 92.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 38 Ų | 38 | 16% | 0.163 | 19% | 0.185 | C | C | . | . | trans | -115.3 | 134.6 | 179.5 | -52.8 | -26.6 | 0 | 0 | 0 | 111 | F23 S83 Y189 R190 E191 R243 C245 | F23-W85 AromaticContact CD1-CE3 3.96Å; F23-W85 HydrophobicContact CD1-CE3 3.96Å; F23-W85 AromaticContact CD1-CZ3 3.88Å; F23-W85 HydrophobicContact CD1-CZ3 3.88Å; F23-W85 HydrophobicContact CE1-CD2 4.4Å; F23-W85 AromaticContact CE1-CE3 3.43Å; F23-W85 HydrophobicContact CE1-CE3 3.43Å; F23-W85 VanDerWaalsContact CE1-CE3 3.43Å; F23-W85 AromaticContact CE1-CH2 3.82Å; F23-W85 HydrophobicContact CE1-CH2 3.82Å; F23-W85 AromaticContact CE1-CZ3 3.1Å; F23-W85 HydrophobicContact CE1-CZ3 3.1Å; F23-W85 HydrophobicContact CZ-CE3 4.48Å; F23-W85 HydrophobicContact CZ-CH2 4.12Å; F23-W85 AromaticContact CZ-CZ3 3.8Å; F23-W85 HydrophobicContact CZ-CZ3 3.8Å; S83-W85 WeakPolarHBondContact CB-O 3.34Å; S83-W85 PolarHBondContact OG-N 2.87Å; S83-W85 PolarHBondContact OG-O 3.33Å; W85-Y189 VanDerWaalsContact CA-O 3.31Å; W85-Y189 WeakPolarHBondContact CA-O 3.39Å; W85-R190 HydrophobicContact CD2-CG 4.12Å; W85-R190 HydrophobicContact CG-CB 4.39Å; W85-R190 HydrophobicContact CG-CG 4.14Å; W85-E191 HydrophobicContact CH2-CG 4.21Å; W85-E191 HydrophobicContact CZ2-CG 3.45Å; W85-E191 VanDerWaalsContact CZ2-CG 3.45Å; W85-E191 VanDerWaalsContact NE1-N 3.16Å; W85-R243 HydrophobicContact CB-CB 4Å; W85-R243 PolarHBondContact O-N 3.46Å; W85-C245 HydrophobicContact CH2-CB 4.37Å; W85-C245 HydrophobicContact CZ3-CB 3.68Å; W85-C245 WeakPolarHBondContact CZ3-SG 3.34Å | ||
| 86 | W | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 156.1 | -171.3 | 51.2 | -97.5 | 0 | 0 | 0 | 111.7 | L80 V88 F107 Y109 L129 V187 Y189 L219 F225 H241 | L80-W86 HydrophobicContact CD2-CB 3.92Å; L80-W86 HydrophobicContact CD2-CG 3.72Å; W86-V88 HydrophobicContact CE3-CB 4.3Å; W86-V88 HydrophobicContact CE3-CG2 3.72Å; W86-V88 HydrophobicContact CZ3-CB 4.16Å; W86-V88 HydrophobicContact CZ3-CG2 3.86Å; W86-F107 HydrophobicContact CH2-CE1 4.01Å; W86-F107 HydrophobicContact CH2-CZ 4.02Å; W86-F107 HydrophobicContact CZ3-CE1 4.39Å; W86-F107 HydrophobicContact CZ3-CZ 4.1Å; W86-Y109 HydrophobicContact CZ2-CD1 4.31Å; W86-Y109 HydrophobicContact CZ2-CD2 4.13Å; W86-Y109 AromaticContact CZ2-CG 3.9Å; W86-Y109 HydrophobicContact CZ2-CG 3.9Å; W86-Y109 AromaticContact NE1-CE2 3.97Å; W86-L129 HydrophobicContact CH2-CD2 4.45Å; W86-V187 HydrophobicContact CH2-CB 4.48Å; W86-V187 HydrophobicContact CH2-CG1 3.65Å; W86-V187 HydrophobicContact CZ3-CB 3.94Å; W86-V187 HydrophobicContact CZ3-CG1 3.55Å; W86-Y189 HydrophobicContact CZ2-CG 4.23Å; W86-Y189 PolarHBondContact N-O 3.45Å; W86-Y189 AromaticContact NE1-CD1 3.65Å; W86-Y189 PolarHBondContact O-N 2.87Å; W86-L219 HydrophobicContact CZ2-CD1 3.68Å; W86-F225 HydrophobicContact CD2-CE1 4.1Å; W86-F225 HydrophobicContact CD2-CZ 4.13Å; W86-F225 HydrophobicContact CE3-CE1 4.08Å; W86-F225 HydrophobicContact CE3-CZ 4.33Å; W86-F225 HydrophobicContact CG-CZ 4.25Å; W86-F225 HydrophobicContact CH2-CE1 4.42Å; W86-F225 HydrophobicContact CZ2-CE1 4.43Å; W86-F225 HydrophobicContact CZ3-CE1 4.24Å; W86-H241 CarbonylContact C-O 3.58Å; W86-H241 VanDerWaalsContact CA-O 3.27Å; W86-H241 WeakPolarHBondContact CA-O 3.33Å |
| 87 | I | 95.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.3 | 166.9 | -45.1 | 169.5 | 0 | 0 | 0 | 106.8 | Q25 E89 R186 V187 E188 S240 H241 R243 | Q25-I87 HydrophobicContact CG-CD1 4.37Å; I87-E89 HydrophobicContact CG2-CG 4.32Å; I87-R186 HydrophobicContact CG2-CG 3.64Å; I87-V187 CarbonylContact C-O 3.58Å; I87-V187 VanDerWaalsContact CA-O 3.32Å; I87-V187 WeakPolarHBondContact CA-O 3.31Å; I87-E188 HydrophobicContact CG1-CG 4.47Å; I87-S240 CarbonylContact O-C 3.54Å; I87-S240 WeakPolarHBondContact O-CA 3.33Å; I87-H241 HydrophobicContact CB-CB 4.41Å; I87-H241 PolarHBondContact N-O 2.98Å; I87-H241 PolarHBondContact O-N 3.31Å; I87-R243 HydrophobicContact CD1-CG 4.44Å; I87-R243 HydrophobicContact CG1-CG 4.22Å |
| 88 | V | 96.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.4 | 166.6 | 172.1 | 0 | 0 | 0 | 0 | 108.2 | W86 F90 F107 R186 V187 F225 F238 R239 | W86-V88 HydrophobicContact CE3-CB 4.3Å; W86-V88 HydrophobicContact CE3-CG2 3.72Å; W86-V88 HydrophobicContact CZ3-CB 4.16Å; W86-V88 HydrophobicContact CZ3-CG2 3.86Å; V88-F90 HydrophobicContact CG1-CD1 4.1Å; V88-F107 HydrophobicContact CB-CE2 4.23Å; V88-F107 HydrophobicContact CB-CZ 4.28Å; V88-F107 HydrophobicContact CG1-CD2 4.44Å; V88-F107 HydrophobicContact CG1-CE2 3.78Å; V88-F107 HydrophobicContact CG1-CZ 4.33Å; V88-F107 HydrophobicContact CG2-CE2 4.24Å; V88-F107 HydrophobicContact CG2-CZ 4.17Å; V88-R186 CarbonylContact O-C 3.48Å; V88-R186 VanDerWaalsContact O-CA 3.31Å; V88-R186 WeakPolarHBondContact O-CA 3.34Å; V88-V187 PolarHBondContact N-O 2.86Å; V88-V187 PolarHBondContact O-N 2.98Å; V88-F225 HydrophobicContact CG2-CD1 3.89Å; V88-F225 HydrophobicContact CG2-CE1 3.38Å; V88-F225 HydrophobicContact CG2-CE2 4.38Å; V88-F225 HydrophobicContact CG2-CZ 3.65Å; V88-F238 HydrophobicContact CB-CZ 4.42Å; V88-F238 HydrophobicContact CG1-CD2 4.16Å; V88-F238 HydrophobicContact CG1-CE1 3.95Å; V88-F238 HydrophobicContact CG1-CE2 3.47Å; V88-F238 VanDerWaalsContact CG1-CE2 3.47Å; V88-F238 HydrophobicContact CG1-CZ 3.34Å; V88-F238 HydrophobicContact CG2-CZ 4.16Å; V88-R239 CarbonylContact C-O 3.59Å; V88-R239 WeakPolarHBondContact CA-O 3.42Å |
| 89 | E | 95.6 | Very high | 88.5 | Confident | 46 Ų | 46 | 49.2 Ų | 49.2 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.4 | 168.5 | -64.1 | -170.7 | 166.2 | 0 | 0 | 109.5 | I87 V185 R186 R239 | I87-E89 HydrophobicContact CG2-CG 4.32Å; E89-V185 CarbonylContact C-O 3.57Å; E89-V185 WeakPolarHBondContact CA-O 3.35Å; E89-R186 HydrophobicContact CG-CB 4.04Å; E89-R186 HydrophobicContact CG-CG 4.05Å; E89-R186 IonicContact OE1-CZ 3.9Å; E89-R186 IonicContact OE1-NE 3.23Å; E89-R186 PolarHBondContact OE1-NE 3.39Å; E89-R186 IonicContact OE1-NH2 2.84Å; E89-R186 PolarHBondContact OE1-NH2 2.96Å; E89-R239 PolarHBondContact N-O 2.86Å; E89-R239 PolarHBondContact O-N 2.78Å |
| 90 | F | 95 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 150.4 | 173.6 | 63.4 | -90.7 | 0 | 0 | 0 | 111.1 | V88 F92 M105 F107 L133 K184 V185 V187 L235 G237 F238 | V88-F90 HydrophobicContact CG1-CD1 4.1Å; F90-F92 HydrophobicContact CD2-CD1 4.11Å; F90-F92 AromaticContact CE2-CD1 3.85Å; F90-F92 HydrophobicContact CE2-CD1 3.85Å; F90-F92 HydrophobicContact CE2-CE1 4.39Å; F90-M105 HydrophobicContact CE2-CE 4.18Å; F90-F107 HydrophobicContact CD1-CD2 4.28Å; F90-F107 HydrophobicContact CE1-CB 3.84Å; F90-F107 AromaticContact CE1-CD2 3.98Å; F90-F107 HydrophobicContact CE1-CD2 3.98Å; F90-F107 AromaticContact CE1-CG 3.96Å; F90-F107 HydrophobicContact CE1-CG 3.96Å; F90-F107 HydrophobicContact CZ-CB 3.93Å; F90-L133 HydrophobicContact CZ-CD1 4.46Å; F90-K184 CarbonylContact O-C 3.59Å; F90-K184 WeakPolarHBondContact O-CA 3.45Å; F90-V185 HydrophobicContact CD1-CB 4.16Å; F90-V185 HydrophobicContact CD2-CB 4.23Å; F90-V185 HydrophobicContact CD2-CG2 4.38Å; F90-V185 HydrophobicContact CE1-CB 3.7Å; F90-V185 HydrophobicContact CE1-CG1 3.7Å; F90-V185 HydrophobicContact CE1-CG2 4.45Å; F90-V185 HydrophobicContact CE2-CB 3.77Å; F90-V185 HydrophobicContact CE2-CG1 4.41Å; F90-V185 HydrophobicContact CE2-CG2 3.69Å; F90-V185 HydrophobicContact CG-CB 4.41Å; F90-V185 HydrophobicContact CZ-CB 3.49Å; F90-V185 VanDerWaalsContact CZ-CB 3.49Å; F90-V185 HydrophobicContact CZ-CG1 3.64Å; F90-V185 HydrophobicContact CZ-CG2 3.74Å; F90-V185 PolarHBondContact N-O 2.83Å; F90-V185 PolarHBondContact O-N 3.17Å; F90-V187 HydrophobicContact CE1-CG2 4.09Å; F90-L235 HydrophobicContact CD2-CD2 4.41Å; F90-G237 CarbonylContact C-O 3.37Å; F90-G237 VanDerWaalsContact CA-O 3.27Å; F90-G237 WeakPolarHBondContact CA-O 3.37Å; F90-G237 WeakPolarHBondContact CB-O 3.49Å; F90-F238 HydrophobicContact CB-CB 4.38Å; F90-F238 HydrophobicContact CB-CD2 3.69Å; F90-F238 HydrophobicContact CB-CE2 4.44Å; F90-F238 HydrophobicContact CB-CG 4.36Å; F90-F238 HydrophobicContact CD1-CD2 4.48Å; F90-F238 HydrophobicContact CD1-CE2 4.45Å; F90-F238 HydrophobicContact CG-CD2 4.35Å |
| 91 | S | 93.5 | Very high | 86.7 | Confident | 30 Ų | 30 | 54.5 Ų | 54.5 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.2 | 179.6 | -56.8 | 0 | 0 | 0 | 0 | 109.6 | V183 Y236 G237 | S91-V183 CarbonylContact C-O 3.48Å; S91-V183 VanDerWaalsContact CA-O 3.31Å; S91-V183 WeakPolarHBondContact CA-O 3.43Å; S91-Y236 PolarHBondContact O-N 2.71Å; S91-G237 PolarHBondContact N-O 2.8Å |
| 92 | F | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 162.5 | -175.1 | 76.6 | -91.5 | 0 | 0 | 0 | 111.3 | F90 I94 M105 L133 Y176 P182 V183 V185 M234 L235 | F90-F92 HydrophobicContact CD2-CD1 4.11Å; F90-F92 AromaticContact CE2-CD1 3.85Å; F90-F92 HydrophobicContact CE2-CD1 3.85Å; F90-F92 HydrophobicContact CE2-CE1 4.39Å; F92-I94 HydrophobicContact CD2-CD1 4.06Å; F92-I94 HydrophobicContact CD2-CG1 3.97Å; F92-I94 HydrophobicContact CE2-CD1 3.81Å; F92-I94 HydrophobicContact CE2-CG1 4.09Å; F92-M105 HydrophobicContact CB-CE 4.45Å; F92-M105 HydrophobicContact CB-SD 4.03Å; F92-M105 HydrophobicContact CD1-SD 4.28Å; F92-M105 HydrophobicContact CD2-SD 3.73Å; F92-M105 HydrophobicContact CE2-SD 4.25Å; F92-M105 HydrophobicContact CG-SD 3.75Å; F92-L133 HydrophobicContact CD1-CD2 4.19Å; F92-L133 HydrophobicContact CE1-CD2 3.32Å; F92-L133 HydrophobicContact CE2-CD2 4.01Å; F92-L133 HydrophobicContact CZ-CD2 3.21Å; F92-Y176 AromaticContact CE2-CD2 3.66Å; F92-Y176 HydrophobicContact CE2-CD2 3.66Å; F92-Y176 HydrophobicContact CE2-CE2 4.41Å; F92-Y176 AromaticContact CE2-CG 3.95Å; F92-Y176 HydrophobicContact CE2-CG 3.95Å; F92-Y176 HydrophobicContact CZ-CD1 4.34Å; F92-Y176 AromaticContact CZ-CD2 3.9Å; F92-Y176 HydrophobicContact CZ-CD2 3.9Å; F92-Y176 AromaticContact CZ-CG 3.71Å; F92-Y176 HydrophobicContact CZ-CG 3.71Å; F92-P182 CarbonylContact O-C 3.6Å; F92-P182 WeakPolarHBondContact O-CA 3.26Å; F92-V183 HydrophobicContact CD1-CB 4.37Å; F92-V183 HydrophobicContact CD1-CG1 4.4Å; F92-V183 WeakPolarHBondContact CD1-O 3.42Å; F92-V183 HydrophobicContact CE1-CB 3.87Å; F92-V183 HydrophobicContact CE1-CG1 3.56Å; F92-V183 HydrophobicContact CE2-CB 4.31Å; F92-V183 HydrophobicContact CZ-CB 3.83Å; F92-V183 HydrophobicContact CZ-CG1 3.68Å; F92-V183 PolarHBondContact N-O 3.36Å; F92-V183 PolarHBondContact O-N 3.04Å; F92-V185 HydrophobicContact CD1-CG2 4.02Å; F92-V185 HydrophobicContact CE1-CG2 3.54Å; F92-M234 CarbonylContact C-O 3.54Å; F92-M234 VanDerWaalsContact CA-O 3.25Å; F92-M234 WeakPolarHBondContact CA-O 3.37Å; F92-M234 WeakPolarHBondContact CB-O 3.44Å; F92-L235 HydrophobicContact CB-CD2 3.74Å |
| 93 | Q | 90.6 | Very high | 86.8 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 130.5 | 166.7 | -159.6 | 174.1 | 35.3 | 0 | 0 | 109 | K95 R179 M234 Y236 | Q93-K95 HydrophobicContact CG-CG 4.07Å; Q93-R179 PolarHBondContact NE2-O 2.94Å; Q93-M234 PolarHBondContact N-O 3.21Å; Q93-M234 WeakPolarHBondContact O-CB 3.32Å; Q93-M234 PolarHBondContact O-N 2.89Å; Q93-Y236 HydrophobicContact CB-CD2 4.3Å; Q93-Y236 HydrophobicContact CB-CE2 3.44Å; Q93-Y236 VanDerWaalsContact CB-CE2 3.44Å; Q93-Y236 PolarHBondContact OE1-OH 2.78Å |
| 94 | I | 90 | Very high | 87.1 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -106.9 | 113.1 | 172.4 | -68.3 | 166.8 | 0 | 0 | 0 | 106.6 | F92 M105 Y176 R177 N178 | F92-I94 HydrophobicContact CD2-CD1 4.06Å; F92-I94 HydrophobicContact CD2-CG1 3.97Å; F92-I94 HydrophobicContact CE2-CD1 3.81Å; F92-I94 HydrophobicContact CE2-CG1 4.09Å; I94-M105 HydrophobicContact CD1-CG 4.13Å; I94-M105 HydrophobicContact CD1-SD 4.16Å; I94-Y176 HydrophobicContact CD1-CD2 3.89Å; I94-Y176 HydrophobicContact CD1-CE2 3.55Å; I94-R177 HydrophobicContact CG2-CG 4.29Å; I94-N178 PolarHBondContact O-N 2.99Å |
| 95 | K | 85 | Confident | 87.5 | Confident | 102 Ų | 102 | 43 Ų | 43 | 44% | 0.443 | 25% | 0.248 | S | C | . | . | trans | -113.6 | 134.4 | 175.4 | -65.2 | -165.5 | -175.2 | -179.7 | 0 | 110.1 | S66 Q93 N178 | S66-K95 PolarHBondContact OG-O 3.33Å; S66-K95 VanDerWaalsContact OG-O 3.05Å; Q93-K95 HydrophobicContact CG-CG 4.07Å; K95-N178 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 96 | G | 80.3 | Confident | 87.8 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | trans | -162.2 | 155.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N178 | G96-N178 PolarHBondContact N-OD1 2.8Å; G96-N178 VanDerWaalsContact N-OD1 3.12Å; G96-N178 PolarHBondContact O-ND2 2.61Å; G96-N178 PolarHBondContact O-OD1 3.49Å | ||
| 97 | P | 74.9 | Confident | 87.9 | Confident | 123 Ų | 123 | 40.9 Ų | 40.9 | 80% | 0.799 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -65.8 | 140.6 | 174 | 29 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 98 | G | 71.1 | Confident | 88.1 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 78.4 | -172.6 | 172 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 99 | K | 71.8 | Confident | 88.1 | Confident | 191 Ų | 191 | 40.9 Ų | 40.9 | 83% | 0.83 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -96.5 | -11.4 | -178.6 | -66 | -173.7 | 180 | -178 | 0 | 113.5 | R177 | K99-R177 VanDerWaalsContact C-NH1 3.34Å; K99-R177 VanDerWaalsContact O-CZ 3.24Å; K99-R177 PolarHBondContact O-NH1 3.41Å; K99-R177 PolarHBondContact O-NH2 3.45Å |
| 100 | I | 75.1 | Confident | 88.3 | Confident | 134 Ų | 134 | 38.8 Ų | 38.8 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | trans | -82.4 | 124.2 | -180 | -55.3 | 174.8 | 0 | 0 | 0 | 107.2 | Y136 | I100-Y136 HydrophobicContact CG2-CD2 3.89Å; I100-Y136 HydrophobicContact CG2-CE2 3.65Å | ||
| 101 | G | 76.3 | Confident | 88.4 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | trans | -73 | -172 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S135 | G101-S135 WeakPolarHBondContact CA-O 3.33Š| ||
| 102 | A | 86.2 | Confident | 88.6 | Confident | 29 Ų | 29 | 46.9 Ų | 46.9 | 24% | 0.24 | 26% | 0.261 | C | S | . | . | trans | -125.9 | -162.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | G104 S135 Y136 T231 | A102-G104 VanDerWaalsContact C-N 3.3Å; A102-G104 PolarHBondContact O-N 2.94Å; A102-S135 PolarHBondContact N-OG 2.81Å; A102-S135 CarbonylContact O-C 3.55Å; A102-S135 PolarHBondContact O-OG 3.4Å; A102-Y136 WeakPolarHBondContact O-CB 3.3Å; A102-Y136 PolarHBondContact O-N 3.29Å; A102-Y136 VanDerWaalsContact O-N 3.13Å; A102-T231 VanDerWaalsContact CB-O 3.23Å; A102-T231 WeakPolarHBondContact CB-O 3.11Å; A102-T231 WeakPolarHBondContact CB-OG1 3.46Å | ||
| 103 | D | 90 | Very high | 88.8 | Confident | 69 Ų | 69 | 50.4 Ų | 50.4 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -58.8 | -42.5 | -176.7 | -56.8 | -19.8 | 0 | 0 | 0 | 111.5 | F120 A230 | D103-F120 WeakPolarHBondContact O-CD1 3.37Å; D103-F120 WeakPolarHBondContact O-CE1 3.33Å; D103-A230 HydrophobicContact CB-CB 3.6Å |
| 104 | G | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110 | -149.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A102 L133 S135 A229 A230 | A102-G104 VanDerWaalsContact C-N 3.3Å; A102-G104 PolarHBondContact O-N 2.94Å; G104-L133 WeakPolarHBondContact CA-O 3.38Å; G104-S135 WeakPolarHBondContact CA-OG 3.4Å; G104-A229 VanDerWaalsContact O-CA 3.3Å; G104-A229 WeakPolarHBondContact O-CA 3.33Å; G104-A230 PolarHBondContact N-O 2.84Å; G104-A230 PolarHBondContact O-N 3.31Å |
| 105 | M | 95.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 164.6 | -176.3 | 71.3 | 172.6 | -67.4 | 0 | 0 | 113.1 | L63 F90 F92 I94 L133 L227 S228 A229 L235 | L63-M105 HydrophobicContact CD1-CE 4.25Å; F90-M105 HydrophobicContact CE2-CE 4.18Å; F92-M105 HydrophobicContact CB-CE 4.45Å; F92-M105 HydrophobicContact CB-SD 4.03Å; F92-M105 HydrophobicContact CD1-SD 4.28Å; F92-M105 HydrophobicContact CD2-SD 3.73Å; F92-M105 HydrophobicContact CE2-SD 4.25Å; F92-M105 HydrophobicContact CG-SD 3.75Å; I94-M105 HydrophobicContact CD1-CG 4.13Å; I94-M105 HydrophobicContact CD1-SD 4.16Å; M105-L133 HydrophobicContact CG-CB 3.7Å; M105-L133 HydrophobicContact CG-CD1 4.15Å; M105-L133 HydrophobicContact CG-CD2 4.23Å; M105-L133 HydrophobicContact CG-CG 4.24Å; M105-L133 PolarHBondContact N-O 2.9Å; M105-L133 PolarHBondContact O-N 3.33Å; M105-L133 HydrophobicContact SD-CD2 4.31Å; M105-L227 HydrophobicContact CE-CD2 4.43Å; M105-S228 CarbonylContact C-O 3.54Å; M105-S228 VanDerWaalsContact CA-O 3.23Å; M105-S228 WeakPolarHBondContact CA-O 3.48Å; M105-S228 VanDerWaalsContact CB-O 3.25Å; M105-S228 WeakPolarHBondContact CB-O 3.32Å; M105-A229 HydrophobicContact CB-CB 3.8Å; M105-L235 HydrophobicContact CE-CD2 3.87Å |
| 106 | A | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 143.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W108 F120 I131 F132 L227 S228 | A106-W108 HydrophobicContact CB-CZ2 3.62Å; A106-F120 HydrophobicContact CB-CB 3.88Å; A106-F120 HydrophobicContact CB-CG 4.35Å; A106-I131 CarbonylContact C-O 3.13Å; A106-I131 VanDerWaalsContact CA-O 3.3Å; A106-I131 WeakPolarHBondContact CA-O 3.16Å; A106-F132 HydrophobicContact CB-CD1 3.75Å; A106-F132 HydrophobicContact CB-CE1 4.14Å; A106-L227 WeakPolarHBondContact O-CA 3.36Å; A106-S228 PolarHBondContact N-O 2.95Å; A106-S228 PolarHBondContact O-N 3.33Å |
| 107 | F | 98.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.4 | 163.7 | 163.7 | -91.8 | 0 | 0 | 0 | 109.5 | W86 V88 F90 A130 I131 V187 F225 L227 F238 | W86-F107 HydrophobicContact CH2-CE1 4.01Å; W86-F107 HydrophobicContact CH2-CZ 4.02Å; W86-F107 HydrophobicContact CZ3-CE1 4.39Å; W86-F107 HydrophobicContact CZ3-CZ 4.1Å; V88-F107 HydrophobicContact CB-CE2 4.23Å; V88-F107 HydrophobicContact CB-CZ 4.28Å; V88-F107 HydrophobicContact CG1-CD2 4.44Å; V88-F107 HydrophobicContact CG1-CE2 3.78Å; V88-F107 HydrophobicContact CG1-CZ 4.33Å; V88-F107 HydrophobicContact CG2-CE2 4.24Å; V88-F107 HydrophobicContact CG2-CZ 4.17Å; F90-F107 HydrophobicContact CD1-CD2 4.28Å; F90-F107 HydrophobicContact CE1-CB 3.84Å; F90-F107 AromaticContact CE1-CD2 3.98Å; F90-F107 HydrophobicContact CE1-CD2 3.98Å; F90-F107 AromaticContact CE1-CG 3.96Å; F90-F107 HydrophobicContact CE1-CG 3.96Å; F90-F107 HydrophobicContact CZ-CB 3.93Å; F107-A130 CarbonylContact O-C 3.55Å; F107-A130 WeakPolarHBondContact O-CA 3.16Å; F107-I131 HydrophobicContact CB-CB 4.34Å; F107-I131 HydrophobicContact CD1-CB 4.22Å; F107-I131 HydrophobicContact CD1-CD1 3.83Å; F107-I131 HydrophobicContact CD1-CG1 4.21Å; F107-I131 HydrophobicContact CE1-CD1 4.28Å; F107-I131 PolarHBondContact N-O 3.28Å; F107-I131 PolarHBondContact O-N 2.87Å; F107-V187 HydrophobicContact CD1-CG2 4.19Å; F107-V187 HydrophobicContact CE1-CB 4.39Å; F107-V187 HydrophobicContact CE1-CG1 4.07Å; F107-V187 HydrophobicContact CE1-CG2 4.24Å; F107-F225 AromaticContact CE2-CD1 3.93Å; F107-F225 HydrophobicContact CE2-CD1 3.93Å; F107-F225 AromaticContact CZ-CD1 3.8Å; F107-F225 HydrophobicContact CZ-CD1 3.8Å; F107-F225 HydrophobicContact CZ-CE1 4.1Å; F107-L227 HydrophobicContact CB-CD2 4.33Å; F107-L227 HydrophobicContact CD2-CD2 4.22Å; F107-F238 AromaticContact CD2-CE2 3.87Å; F107-F238 HydrophobicContact CD2-CE2 3.87Å; F107-F238 HydrophobicContact CD2-CZ 4.41Å; F107-F238 AromaticContact CE2-CE2 3.77Å; F107-F238 HydrophobicContact CE2-CE2 3.77Å; F107-F238 AromaticContact CE2-CZ 3.84Å; F107-F238 HydrophobicContact CE2-CZ 3.84Å |
| 108 | W | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 140.6 | -174.3 | -55 | 91.6 | 0 | 0 | 0 | 112 | W75 A106 T110 V119 C122 W126 L129 A130 F132 F225 G226 S228 | W75-W108 HydrophobicContact CH2-CB 3.41Å; W75-W108 VanDerWaalsContact CH2-CB 3.41Å; W75-W108 HydrophobicContact CH2-CD2 4.47Å; W75-W108 AromaticContact CH2-CG 3.81Å; W75-W108 HydrophobicContact CH2-CG 3.81Å; W75-W108 HydrophobicContact CZ2-CB 4.12Å; W75-W108 HydrophobicContact CZ2-CG 4.03Å; W75-W108 HydrophobicContact CZ3-CB 3.93Å; A106-W108 HydrophobicContact CB-CZ2 3.62Å; W108-T110 HydrophobicContact CB-CG2 4.25Å; W108-T110 HydrophobicContact CE3-CG2 4.13Å; W108-V119 HydrophobicContact CH2-CB 4.49Å; W108-V119 HydrophobicContact CH2-CG1 3.89Å; W108-V119 HydrophobicContact CZ2-CG1 4.41Å; W108-C122 HydrophobicContact CH2-CB 4.2Å; W108-C122 HydrophobicContact CZ2-CB 3.49Å; W108-C122 VanDerWaalsContact CZ2-CB 3.49Å; W108-W126 HydrophobicContact CE3-CD2 4.41Å; W108-W126 HydrophobicContact CE3-CG 4.17Å; W108-W126 HydrophobicContact CH2-CD2 4.26Å; W108-W126 HydrophobicContact CH2-CE3 4.17Å; W108-W126 HydrophobicContact CH2-CZ3 4.47Å; W108-W126 HydrophobicContact CZ3-CB 4.28Å; W108-W126 AromaticContact CZ3-CD1 3.97Å; W108-W126 AromaticContact CZ3-CD2 3.49Å; W108-W126 HydrophobicContact CZ3-CD2 3.49Å; W108-W126 VanDerWaalsContact CZ3-CD2 3.49Å; W108-W126 AromaticContact CZ3-CE2 3.74Å; W108-W126 AromaticContact CZ3-CE3 3.85Å; W108-W126 HydrophobicContact CZ3-CE3 3.85Å; W108-W126 AromaticContact CZ3-CG 3.66Å; W108-W126 HydrophobicContact CZ3-CG 3.66Å; W108-W126 HydrophobicContact CZ3-CZ2 4.31Å; W108-W126 HydrophobicContact CZ3-CZ3 4.43Å; W108-L129 WeakPolarHBondContact CA-O 3.41Å; W108-A130 HydrophobicContact CD2-CB 4.38Å; W108-A130 HydrophobicContact CE3-CB 3.56Å; W108-A130 HydrophobicContact CH2-CB 3.98Å; W108-A130 HydrophobicContact CZ3-CB 3.34Å; W108-F132 AromaticContact CH2-CE1 3.72Å; W108-F132 HydrophobicContact CH2-CE1 3.72Å; W108-F132 HydrophobicContact CH2-CZ 4.25Å; W108-F132 HydrophobicContact CZ2-CE1 4.1Å; W108-F132 HydrophobicContact CZ3-CE1 4.35Å; W108-F225 WeakPolarHBondContact O-CA 3.25Å; W108-G226 PolarHBondContact N-O 2.91Å; W108-G226 PolarHBondContact O-N 3.5Å; W108-S228 PolarHBondContact NE1-OG 3.32Å |
| 109 | Y | 98.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 101.9 | 159.8 | -179.2 | -91.8 | 0 | 0 | 0 | 109.1 | L80 W86 L129 L219 P220 G223 Y224 F225 | L80-Y109 HydrophobicContact CB-CE2 4.07Å; L80-Y109 HydrophobicContact CD2-CE2 3.93Å; W86-Y109 HydrophobicContact CZ2-CD1 4.31Å; W86-Y109 HydrophobicContact CZ2-CD2 4.13Å; W86-Y109 AromaticContact CZ2-CG 3.9Å; W86-Y109 HydrophobicContact CZ2-CG 3.9Å; W86-Y109 AromaticContact NE1-CE2 3.97Å; Y109-L129 PolarHBondContact N-O 3.17Å; Y109-L129 PolarHBondContact O-N 2.76Å; Y109-L219 HydrophobicContact CD1-CB 3.98Å; Y109-L219 HydrophobicContact CD1-CD1 3.77Å; Y109-L219 HydrophobicContact CD1-CG 4.34Å; Y109-L219 HydrophobicContact CE1-CB 3.81Å; Y109-L219 HydrophobicContact CE1-CD1 4.14Å; Y109-P220 HydrophobicContact CD1-CG 4.43Å; Y109-P220 HydrophobicContact CE1-CG 4.22Å; Y109-P220 VanDerWaalsContact CE1-O 3.28Å; Y109-P220 WeakPolarHBondContact CE1-O 3.23Å; Y109-P220 PolarHBondContact OH-O 3.45Å; Y109-G223 PolarHBondContact OH-N 2.89Å; Y109-G223 VanDerWaalsContact OH-N 3.08Å; Y109-Y224 VanDerWaalsContact CA-O 3.32Å; Y109-Y224 WeakPolarHBondContact CA-O 3.26Å; Y109-F225 AromaticContact CD2-CD1 3.73Å; Y109-F225 HydrophobicContact CD2-CD1 3.73Å; Y109-F225 AromaticContact CD2-CE1 3.44Å; Y109-F225 HydrophobicContact CD2-CE1 3.44Å; Y109-F225 VanDerWaalsContact CD2-CE1 3.44Å; Y109-F225 HydrophobicContact CD2-CZ 4.06Å; Y109-F225 HydrophobicContact CE2-CE1 4.06Å; Y109-F225 HydrophobicContact CE2-CZ 4.21Å; Y109-F225 HydrophobicContact CG-CE1 4.4Å |
| 110 | T | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155.4 | -166.1 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | W75 W108 Y112 W126 N127 G223 Y224 | W75-T110 HydrophobicContact CH2-CG2 4.2Å; W75-T110 WeakPolarHBondContact CH2-OG1 3.37Å; W75-T110 WeakPolarHBondContact CZ3-OG1 3.28Å; W108-T110 HydrophobicContact CB-CG2 4.25Å; W108-T110 HydrophobicContact CE3-CG2 4.13Å; T110-Y112 WeakPolarHBondContact CB-O 3.35Å; T110-Y112 PolarHBondContact O-N 3.41Å; T110-Y112 PolarHBondContact OG1-O 2.95Å; T110-W126 HydrophobicContact CG2-CB 4.14Å; T110-W126 HydrophobicContact CG2-CG 4.3Å; T110-N127 CarbonylContact C-O 3.59Å; T110-N127 VanDerWaalsContact CA-O 3.22Å; T110-N127 WeakPolarHBondContact CA-O 3.5Å; T110-N127 WeakPolarHBondContact CB-O 3.44Å; T110-G223 CarbonylContact O-C 3.58Å; T110-G223 WeakPolarHBondContact O-CA 3.27Å; T110-Y224 PolarHBondContact N-O 2.95Å; T110-Y224 VanDerWaalsContact N-O 3.09Å; T110-Y224 PolarHBondContact O-N 3.44Å |
| 111 | A | 98 | Very high | 95.1 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 17% | 0.165 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -61.8 | -32.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N127 P220 Y224 | A111-N127 HydrophobicContact CB-CB 4.29Å; A111-N127 PolarHBondContact N-O 3.39Å; A111-P220 HydrophobicContact CB-CB 3.75Å; A111-P220 HydrophobicContact CB-CG 4.09Å; A111-Y224 WeakPolarHBondContact O-CD2 3.49Å; A111-Y224 WeakPolarHBondContact O-CE2 3.27Å |
| 112 | Y | 98 | Very high | 96.1 | Very high | 181 Ų | 181 | 38 Ų | 38 | 71% | 0.71 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -133 | 147.7 | 178.8 | -52.9 | -73.4 | 0 | 0 | 0 | 109.9 | T110 G114 | T110-Y112 WeakPolarHBondContact CB-O 3.35Å; T110-Y112 PolarHBondContact O-N 3.41Å; T110-Y112 PolarHBondContact OG1-O 2.95Å; Y112-G114 PolarHBondContact O-N 3.19Å |
| 113 | K | 97.9 | Very high | 96.6 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | trans | -61.6 | 135.1 | 171.4 | -57.2 | 178.1 | -60.3 | 169 | 0 | 109.2 | E49 W75 Y224 | E49-K113 WeakPolarHBondContact OE1-CD 3.36Å; E49-K113 WeakPolarHBondContact OE1-CE 3.47Å; E49-K113 IonicContact OE1-NZ 3.26Å; E49-K113 PolarHBondContact OE1-NZ 3.48Å; E49-K113 IonicContact OE2-NZ 2.79Å; E49-K113 PolarHBondContact OE2-NZ 3.49Å; W75-K113 HydrophobicContact CB-CB 4.26Å; W75-K113 HydrophobicContact CB-CD 4.09Å; W75-K113 HydrophobicContact CB-CG 4.15Å; W75-K113 HydrophobicContact CD2-CB 3.97Å; W75-K113 HydrophobicContact CD2-CG 4.34Å; W75-K113 HydrophobicContact CE3-CB 4.12Å; W75-K113 HydrophobicContact CE3-CG 4.15Å; W75-K113 HydrophobicContact CG-CB 4.01Å; W75-K113 HydrophobicContact CG-CG 4.35Å; K113-Y224 HydrophobicContact CD-CD1 4.01Å; K113-Y224 HydrophobicContact CD-CE1 4.23Å; K113-Y224 HydrophobicContact CG-CD1 3.71Å; K113-Y224 HydrophobicContact CG-CD2 4.26Å; K113-Y224 HydrophobicContact CG-CE1 4.2Å; K113-Y224 HydrophobicContact CG-CG 3.72Å | ||
| 114 | G | 97 | Very high | 96.9 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 10% | 0.103 | 17% | 0.168 | C | C | . | . | trans | -74.7 | 174 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W75 Y112 N123 | W75-G114 PolarHBondContact NE1-O 3.49Å; Y112-G114 PolarHBondContact O-N 3.19Å; G114-N123 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 115 | R | 97.5 | Very high | 97.1 | Very high | 189 Ų | 189 | 41.6 Ų | 41.6 | 71% | 0.713 | 19% | 0.193 | S | C | * | . | trans | -121.9 | 170.1 | 172.1 | -60.8 | -175.4 | -176.6 | -138.5 | 1 | 108.8 | G117 C122 N123 | R115-G117 PolarHBondContact O-N 3.48Å; R115-C122 CarbonylContact O-C 3.56Å; R115-C122 WeakPolarHBondContact O-CA 3.23Å; R115-N123 PolarHBondContact N-OD1 3.48Å; R115-N123 PolarHBondContact O-N 2.83Å; R115-N123 PolarHBondContact O-OD1 3.5Å | ||
| 116 | L | 97.7 | Very high | 97.2 | Very high | 75 Ų | 75 | 42 Ų | 42 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 139.9 | 174.4 | -68.4 | 166.8 | 0 | 0 | 0 | 111.5 | E51 N71 I73 G121 | E51-L116 HydrophobicContact CB-CD1 4.46Å; E51-L116 HydrophobicContact CB-CG 4.38Å; N71-L116 HydrophobicContact CB-CD2 4.15Å; I73-L116 HydrophobicContact CD1-CD2 4.41Å; I73-L116 HydrophobicContact CD1-CG 4.35Å; I73-L116 HydrophobicContact CG1-CD2 4.22Å; I73-L116 HydrophobicContact CG2-CD2 4.14Å; L116-G121 WeakPolarHBondContact CA-O 3.39Å |
| 117 | G | 95.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 22% | 0.216 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | -169.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R115 G121 C122 | R115-G117 PolarHBondContact O-N 3.48Å; G117-G121 PolarHBondContact N-O 2.85Å; G117-G121 CarbonylContact O-C 3.53Å; G117-G121 VanDerWaalsContact O-CA 3.29Å; G117-G121 WeakPolarHBondContact O-CA 3.33Å; G117-C122 CarbonylContact C-O 3.41Å; G117-C122 VanDerWaalsContact CA-C 3.46Å; G117-C122 WeakPolarHBondContact CA-O 3.42Å |
| 118 | K | 93.5 | Very high | 97.3 | Very high | 115 Ų | 115 | 45.4 Ų | 45.4 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -20.7 | -172.8 | 63.8 | 173.8 | -176.2 | 168.4 | 0 | 114.5 | F120 C122 D124 H160 | K118-F120 PolarHBondContact O-N 2.81Å; K118-C122 PolarHBondContact N-O 3.21Å; K118-D124 WeakPolarHBondContact CE-OD2 3.15Å; K118-D124 IonicContact NZ-OD2 3.84Å; K118-D124 PolarHBondContact NZ-OD2 2.83Å; K118-H160 PolarHBondContact O-CE1 3.33Å; K118-H160 VanDerWaalsContact O-CE1 3.24Å; K118-H160 PolarHBondContact O-NE2 3.12Å |
| 119 | V | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 87.7 | -173.3 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | W108 G121 C122 D124 W126 F132 F158 | W108-V119 HydrophobicContact CH2-CB 4.49Å; W108-V119 HydrophobicContact CH2-CG1 3.89Å; W108-V119 HydrophobicContact CZ2-CG1 4.41Å; V119-G121 PolarHBondContact O-N 3.32Å; V119-G121 VanDerWaalsContact O-N 3.16Å; V119-C122 PolarHBondContact N-O 3.42Å; V119-C122 PolarHBondContact O-N 3.39Å; V119-D124 HydrophobicContact CG2-CB 3.99Å; V119-W126 HydrophobicContact CG1-CZ3 4.15Å; V119-F132 HydrophobicContact CG1-CE1 3.69Å; V119-F132 HydrophobicContact CG1-CZ 3.94Å; V119-F158 HydrophobicContact CG1-CB 3.97Å; V119-F158 HydrophobicContact CG1-CD1 4.39Å; V119-F158 HydrophobicContact CG1-CG 4.11Å; V119-F158 HydrophobicContact CG2-CB 3.81Å |
| 120 | F | 95.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 39.7 | -177.9 | -56.3 | -93.8 | 0 | 0 | 0 | 112.3 | D103 A106 K118 F132 D134 F158 S228 A229 | D103-F120 WeakPolarHBondContact O-CD1 3.37Å; D103-F120 WeakPolarHBondContact O-CE1 3.33Å; A106-F120 HydrophobicContact CB-CB 3.88Å; A106-F120 HydrophobicContact CB-CG 4.35Å; K118-F120 PolarHBondContact O-N 2.81Å; F120-F132 HydrophobicContact CD2-CB 4.48Å; F120-F132 AromaticContact CD2-CD1 3.25Å; F120-F132 HydrophobicContact CD2-CD1 3.25Å; F120-F132 AromaticContact CD2-CE1 3.62Å; F120-F132 HydrophobicContact CD2-CE1 3.62Å; F120-F132 HydrophobicContact CD2-CG 4.03Å; F120-F132 HydrophobicContact CE1-CB 4.42Å; F120-F132 HydrophobicContact CE2-CB 3.94Å; F120-F132 AromaticContact CE2-CD1 3.32Å; F120-F132 HydrophobicContact CE2-CD1 3.32Å; F120-F132 HydrophobicContact CE2-CD2 4.35Å; F120-F132 AromaticContact CE2-CE1 3.86Å; F120-F132 HydrophobicContact CE2-CE1 3.86Å; F120-F132 AromaticContact CE2-CG 3.61Å; F120-F132 HydrophobicContact CE2-CG 3.61Å; F120-F132 HydrophobicContact CG-CD1 4.04Å; F120-F132 HydrophobicContact CZ-CB 3.91Å; F120-F132 HydrophobicContact CZ-CD1 4.14Å; F120-F132 HydrophobicContact CZ-CG 4.11Å; F120-D134 HydrophobicContact CE1-CB 3.84Å; F120-D134 HydrophobicContact CZ-CB 3.93Å; F120-D134 WeakPolarHBondContact CZ-OD2 3.41Å; F120-F158 HydrophobicContact CE2-CD1 4.3Å; F120-F158 AromaticContact CE2-CE1 3.71Å; F120-F158 HydrophobicContact CE2-CE1 3.71Å; F120-F158 AromaticContact CE2-CZ 3.83Å; F120-F158 HydrophobicContact CE2-CZ 3.83Å; F120-F158 HydrophobicContact CZ-CE1 4.19Å; F120-F158 HydrophobicContact CZ-CZ 4.22Å; F120-S228 CarbonylContact O-C 3.52Å; F120-S228 VanDerWaalsContact O-C 3.24Å; F120-S228 WeakPolarHBondContact O-CB 3.41Å; F120-S228 PolarHBondContact O-OG 3.35Å; F120-A229 CarbonylContact O-C 3.4Å; F120-A229 VanDerWaalsContact O-C 3.31Å; F120-A229 VanDerWaalsContact O-CA 3.24Å; F120-A229 WeakPolarHBondContact O-CA 3.37Å; F120-A229 PolarHBondContact O-N 3.09Å; F120-A229 VanDerWaalsContact O-N 3.09Å |
| 121 | G | 95.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -10.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I73 L116 G117 V119 | I73-G121 VanDerWaalsContact CG2-O 3.3Å; I73-G121 WeakPolarHBondContact CG2-O 3.43Å; L116-G121 WeakPolarHBondContact CA-O 3.39Å; G117-G121 PolarHBondContact N-O 2.85Å; G117-G121 CarbonylContact O-C 3.53Å; G117-G121 VanDerWaalsContact O-CA 3.29Å; G117-G121 WeakPolarHBondContact O-CA 3.33Å; V119-G121 PolarHBondContact O-N 3.32Å; V119-G121 VanDerWaalsContact O-N 3.16Å |
| 122 | C | 97.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 166.1 | -179.9 | -157.3 | 0 | 0 | 0 | 0 | 112.5 | I73 W108 R115 G117 K118 V119 | I73-C122 HydrophobicContact CG2-CB 4.39Å; W108-C122 HydrophobicContact CH2-CB 4.2Å; W108-C122 HydrophobicContact CZ2-CB 3.49Å; W108-C122 VanDerWaalsContact CZ2-CB 3.49Å; R115-C122 CarbonylContact O-C 3.56Å; R115-C122 WeakPolarHBondContact O-CA 3.23Å; G117-C122 CarbonylContact C-O 3.41Å; G117-C122 VanDerWaalsContact CA-C 3.46Å; G117-C122 WeakPolarHBondContact CA-O 3.42Å; K118-C122 PolarHBondContact N-O 3.21Å; V119-C122 PolarHBondContact N-O 3.42Å; V119-C122 PolarHBondContact O-N 3.39Å |
| 123 | N | 97.2 | Very high | 97.2 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 24% | 0.241 | 17% | 0.17 | C | C | . | . | trans | -69 | 153.6 | 176.8 | 68.2 | -78.1 | 0 | 0 | 0 | 112.3 | G114 R115 | G114-N123 WeakPolarHBondContact CA-OD1 3.38Å; R115-N123 PolarHBondContact N-OD1 3.48Å; R115-N123 PolarHBondContact O-N 2.83Å; R115-N123 PolarHBondContact O-OD1 3.5Å | ||
| 124 | D | 96.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -74.5 | 175.5 | 170.2 | -141.5 | -22.9 | 0 | 0 | 0 | 111.1 | K118 V119 W126 T157 F158 | K118-D124 WeakPolarHBondContact CE-OD2 3.15Å; K118-D124 IonicContact NZ-OD2 3.84Å; K118-D124 PolarHBondContact NZ-OD2 2.83Å; V119-D124 HydrophobicContact CG2-CB 3.99Å; D124-W126 VanDerWaalsContact C-N 3.33Å; D124-W126 PolarHBondContact O-N 2.82Å; D124-T157 VanDerWaalsContact CG-CA 3.46Å; D124-T157 WeakPolarHBondContact OD1-CA 3.42Å; D124-T157 VanDerWaalsContact OD2-CA 3.25Å; D124-T157 WeakPolarHBondContact OD2-CA 3.44Å; D124-T157 WeakPolarHBondContact OD2-CB 3.38Å; D124-F158 PolarHBondContact OD1-N 3.02Å; D124-F158 PolarHBondContact OD2-N 2.8Å; D124-F158 VanDerWaalsContact OD2-N 3.15Å |
| 125 | Q | 97.2 | Very high | 96.9 | Very high | 109 Ų | 109 | 32.1 Ų | 32.1 | 51% | 0.509 | 15% | 0.153 | S | C | . | . | S | Bend | trans | 58.3 | 41.2 | 174 | -63.1 | 175.9 | -39.9 | 0 | 0 | 113.6 | G154 K156 T157 | Q125-G154 WeakPolarHBondContact CB-O 3.24Å; Q125-G154 WeakPolarHBondContact O-CA 3.38Å; Q125-K156 PolarHBondContact N-O 3.27Å; Q125-T157 HydrophobicContact CG-CG2 4.43Å |
| 126 | W | 98.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | trans | -72.5 | 159.9 | 170.8 | 69.8 | 98.7 | 0 | 0 | 0 | 110.8 | W108 T110 V119 D124 G128 A130 F132 M150 N152 G154 F158 | W108-W126 HydrophobicContact CE3-CD2 4.41Å; W108-W126 HydrophobicContact CE3-CG 4.17Å; W108-W126 HydrophobicContact CH2-CD2 4.26Å; W108-W126 HydrophobicContact CH2-CE3 4.17Å; W108-W126 HydrophobicContact CH2-CZ3 4.47Å; W108-W126 HydrophobicContact CZ3-CB 4.28Å; W108-W126 AromaticContact CZ3-CD1 3.97Å; W108-W126 AromaticContact CZ3-CD2 3.49Å; W108-W126 HydrophobicContact CZ3-CD2 3.49Å; W108-W126 VanDerWaalsContact CZ3-CD2 3.49Å; W108-W126 AromaticContact CZ3-CE2 3.74Å; W108-W126 AromaticContact CZ3-CE3 3.85Å; W108-W126 HydrophobicContact CZ3-CE3 3.85Å; W108-W126 AromaticContact CZ3-CG 3.66Å; W108-W126 HydrophobicContact CZ3-CG 3.66Å; W108-W126 HydrophobicContact CZ3-CZ2 4.31Å; W108-W126 HydrophobicContact CZ3-CZ3 4.43Å; T110-W126 HydrophobicContact CG2-CB 4.14Å; T110-W126 HydrophobicContact CG2-CG 4.3Å; V119-W126 HydrophobicContact CG1-CZ3 4.15Å; D124-W126 VanDerWaalsContact C-N 3.33Å; D124-W126 PolarHBondContact O-N 2.82Å; W126-G128 PolarHBondContact NE1-O 2.95Å; W126-G128 VanDerWaalsContact NE1-O 3.13Å; W126-A130 HydrophobicContact CZ2-CB 3.74Å; W126-F132 HydrophobicContact CH2-CE2 4.27Å; W126-F132 AromaticContact CH2-CZ 3.62Å; W126-F132 HydrophobicContact CH2-CZ 3.62Å; W126-F132 HydrophobicContact CZ2-CE2 4.35Å; W126-F132 AromaticContact CZ2-CZ 3.8Å; W126-F132 HydrophobicContact CZ2-CZ 3.8Å; W126-F132 HydrophobicContact CZ3-CZ 4.43Å; W126-M150 HydrophobicContact CH2-CE 3.72Å; W126-M150 HydrophobicContact CH2-CG 4.27Å; W126-M150 HydrophobicContact CH2-SD 3.5Å; W126-M150 WeakPolarHBondContact CH2-SD 3.48Å; W126-M150 HydrophobicContact CZ2-CB 4.13Å; W126-M150 HydrophobicContact CZ2-CE 4Å; W126-M150 HydrophobicContact CZ2-CG 3.79Å; W126-M150 HydrophobicContact CZ2-SD 3.66Å; W126-N152 HydrophobicContact CD2-CB 3.74Å; W126-N152 HydrophobicContact CE3-CB 4.38Å; W126-N152 HydrophobicContact CG-CB 4.1Å; W126-N152 HydrophobicContact CH2-CB 4.33Å; W126-N152 HydrophobicContact CZ2-CB 3.72Å; W126-N152 CarbonylContact O-C 2.97Å; W126-N152 WeakPolarHBondContact O-CB 3.38Å; W126-N152 PolarHBondContact O-ND2 2.73Å; W126-G154 WeakPolarHBondContact O-CA 3.24Å; W126-G154 PolarHBondContact O-N 3.44Å; W126-F158 HydrophobicContact CH2-CB 4.45Å; W126-F158 HydrophobicContact CZ3-CB 4.39Å | ||
| 127 | N | 98.4 | Very high | 96.3 | Very high | 68 Ų | 68 | 26.3 Ų | 26.3 | 36% | 0.364 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 107.8 | 170.4 | -175.9 | -25.1 | 0 | 0 | 0 | 109.1 | T110 A111 N152 D153 | T110-N127 CarbonylContact C-O 3.59Å; T110-N127 VanDerWaalsContact CA-O 3.22Å; T110-N127 WeakPolarHBondContact CA-O 3.5Å; T110-N127 WeakPolarHBondContact CB-O 3.44Å; A111-N127 HydrophobicContact CB-CB 4.29Å; A111-N127 PolarHBondContact N-O 3.39Å; N127-N152 CarbonylContact C-O 3.47Å; N127-N152 WeakPolarHBondContact CA-O 3.45Å; N127-D153 PolarHBondContact ND2-O 2.81Å |
| 128 | G | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.8 | -151.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | W126 L151 N152 | W126-G128 PolarHBondContact NE1-O 2.95Å; W126-G128 VanDerWaalsContact NE1-O 3.13Å; G128-L151 WeakPolarHBondContact O-CA 3.28Å; G128-N152 PolarHBondContact N-O 3.31Å; G128-N152 PolarHBondContact O-N 2.92Å; G128-N152 VanDerWaalsContact O-N 3.07Å |
| 129 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.1 | -176.3 | 176.1 | 67.8 | 0 | 0 | 0 | 111.8 | W86 W108 Y109 I131 A149 L151 F169 L194 L219 | W86-L129 HydrophobicContact CH2-CD2 4.45Å; W108-L129 WeakPolarHBondContact CA-O 3.41Å; Y109-L129 PolarHBondContact N-O 3.17Å; Y109-L129 PolarHBondContact O-N 2.76Å; L129-I131 HydrophobicContact CD1-CG1 4.34Å; L129-I131 HydrophobicContact CD2-CD1 4.27Å; L129-I131 HydrophobicContact CD2-CG1 4.36Å; L129-I131 HydrophobicContact CG-CG1 4.3Å; L129-A149 HydrophobicContact CD1-CB 4.41Å; L129-L151 HydrophobicContact CB-CD2 4.15Å; L129-L151 HydrophobicContact CD1-CD2 4.27Å; L129-F169 HydrophobicContact CD1-CE1 4.13Å; L129-F169 HydrophobicContact CD1-CZ 3.91Å; L129-L194 HydrophobicContact CD1-CD2 3.92Å; L129-L194 HydrophobicContact CD2-CD1 3.86Å; L129-L194 HydrophobicContact CD2-CD2 4.09Å; L129-L219 HydrophobicContact CB-CD2 3.56Å; L129-L219 HydrophobicContact CD2-CD1 4.34Å; L129-L219 HydrophobicContact CD2-CD2 4.39Å; L129-L219 HydrophobicContact CG-CD2 4.48Å |
| 130 | A | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F107 W108 W126 F132 A149 M150 | F107-A130 CarbonylContact O-C 3.55Å; F107-A130 WeakPolarHBondContact O-CA 3.16Å; W108-A130 HydrophobicContact CD2-CB 4.38Å; W108-A130 HydrophobicContact CE3-CB 3.56Å; W108-A130 HydrophobicContact CH2-CB 3.98Å; W108-A130 HydrophobicContact CZ3-CB 3.34Å; W126-A130 HydrophobicContact CZ2-CB 3.74Å; A130-F132 HydrophobicContact CB-CD1 4.3Å; A130-F132 HydrophobicContact CB-CE1 3.56Å; A130-F132 HydrophobicContact CB-CE2 3.94Å; A130-F132 HydrophobicContact CB-CZ 3.36Å; A130-A149 WeakPolarHBondContact O-CA 3.3Å; A130-M150 PolarHBondContact N-O 3.46Å; A130-M150 PolarHBondContact O-N 2.96Å |
| 131 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108.1 | 165.6 | -63 | 169.8 | 0 | 0 | 0 | 106.7 | A106 F107 L129 L133 I147 G148 A149 V187 V196 | A106-I131 CarbonylContact C-O 3.13Å; A106-I131 VanDerWaalsContact CA-O 3.3Å; A106-I131 WeakPolarHBondContact CA-O 3.16Å; F107-I131 HydrophobicContact CB-CB 4.34Å; F107-I131 HydrophobicContact CD1-CB 4.22Å; F107-I131 HydrophobicContact CD1-CD1 3.83Å; F107-I131 HydrophobicContact CD1-CG1 4.21Å; F107-I131 HydrophobicContact CE1-CD1 4.28Å; F107-I131 PolarHBondContact N-O 3.28Å; F107-I131 PolarHBondContact O-N 2.87Å; L129-I131 HydrophobicContact CD1-CG1 4.34Å; L129-I131 HydrophobicContact CD2-CD1 4.27Å; L129-I131 HydrophobicContact CD2-CG1 4.36Å; L129-I131 HydrophobicContact CG-CG1 4.3Å; I131-L133 HydrophobicContact CG2-CD1 4.41Å; I131-I147 HydrophobicContact CG2-CG2 3.97Å; I131-G148 CarbonylContact C-O 3.52Å; I131-G148 WeakPolarHBondContact CA-O 3.44Å; I131-A149 HydrophobicContact CG1-CB 4.32Å; I131-V187 HydrophobicContact CD1-CB 4.17Å; I131-V187 HydrophobicContact CD1-CG1 3.46Å; I131-V187 VanDerWaalsContact CD1-CG1 3.46Å; I131-V187 HydrophobicContact CD1-CG2 3.56Å; I131-V196 HydrophobicContact CD1-CG2 3.56Å |
| 132 | F | 97.7 | Very high | 96 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 138.4 | 178.9 | -55.9 | -56.2 | 0 | 0 | 0 | 110.3 | A106 W108 V119 F120 W126 A130 I147 G148 M150 F158 L168 | A106-F132 HydrophobicContact CB-CD1 3.75Å; A106-F132 HydrophobicContact CB-CE1 4.14Å; W108-F132 AromaticContact CH2-CE1 3.72Å; W108-F132 HydrophobicContact CH2-CE1 3.72Å; W108-F132 HydrophobicContact CH2-CZ 4.25Å; W108-F132 HydrophobicContact CZ2-CE1 4.1Å; W108-F132 HydrophobicContact CZ3-CE1 4.35Å; V119-F132 HydrophobicContact CG1-CE1 3.69Å; V119-F132 HydrophobicContact CG1-CZ 3.94Å; F120-F132 HydrophobicContact CD2-CB 4.48Å; F120-F132 AromaticContact CD2-CD1 3.25Å; F120-F132 HydrophobicContact CD2-CD1 3.25Å; F120-F132 AromaticContact CD2-CE1 3.62Å; F120-F132 HydrophobicContact CD2-CE1 3.62Å; F120-F132 HydrophobicContact CD2-CG 4.03Å; F120-F132 HydrophobicContact CE1-CB 4.42Å; F120-F132 HydrophobicContact CE2-CB 3.94Å; F120-F132 AromaticContact CE2-CD1 3.32Å; F120-F132 HydrophobicContact CE2-CD1 3.32Å; F120-F132 HydrophobicContact CE2-CD2 4.35Å; F120-F132 AromaticContact CE2-CE1 3.86Å; F120-F132 HydrophobicContact CE2-CE1 3.86Å; F120-F132 AromaticContact CE2-CG 3.61Å; F120-F132 HydrophobicContact CE2-CG 3.61Å; F120-F132 HydrophobicContact CG-CD1 4.04Å; F120-F132 HydrophobicContact CZ-CB 3.91Å; F120-F132 HydrophobicContact CZ-CD1 4.14Å; F120-F132 HydrophobicContact CZ-CG 4.11Å; W126-F132 HydrophobicContact CH2-CE2 4.27Å; W126-F132 AromaticContact CH2-CZ 3.62Å; W126-F132 HydrophobicContact CH2-CZ 3.62Å; W126-F132 HydrophobicContact CZ2-CE2 4.35Å; W126-F132 AromaticContact CZ2-CZ 3.8Å; W126-F132 HydrophobicContact CZ2-CZ 3.8Å; W126-F132 HydrophobicContact CZ3-CZ 4.43Å; A130-F132 HydrophobicContact CB-CD1 4.3Å; A130-F132 HydrophobicContact CB-CE1 3.56Å; A130-F132 HydrophobicContact CB-CE2 3.94Å; A130-F132 HydrophobicContact CB-CZ 3.36Å; F132-I147 CarbonylContact O-C 3.44Å; F132-I147 VanDerWaalsContact O-CA 3.23Å; F132-I147 WeakPolarHBondContact O-CA 2.9Å; F132-G148 PolarHBondContact N-O 3.49Å; F132-G148 PolarHBondContact O-N 2.94Å; F132-M150 HydrophobicContact CD2-CB 4.38Å; F132-M150 HydrophobicContact CE2-CB 3.65Å; F132-M150 HydrophobicContact CE2-CG 4.44Å; F132-M150 HydrophobicContact CE2-SD 4.03Å; F132-M150 HydrophobicContact CZ-CB 4.48Å; F132-F158 HydrophobicContact CD2-CD2 4.43Å; F132-F158 AromaticContact CD2-CE2 3.76Å; F132-F158 HydrophobicContact CD2-CE2 3.76Å; F132-F158 HydrophobicContact CD2-CZ 4.31Å; F132-F158 AromaticContact CE2-CD2 3.7Å; F132-F158 HydrophobicContact CE2-CD2 3.7Å; F132-F158 AromaticContact CE2-CE2 3.46Å; F132-F158 HydrophobicContact CE2-CE2 3.46Å; F132-F158 VanDerWaalsContact CE2-CE2 3.46Å; F132-F158 HydrophobicContact CE2-CZ 4.35Å; F132-F158 AromaticContact CZ-CD2 3.97Å; F132-F158 HydrophobicContact CZ-CD2 3.97Å; F132-F158 HydrophobicContact CZ-CE2 4.1Å; F132-L168 HydrophobicContact CD2-CD2 3.85Å; F132-L168 HydrophobicContact CE2-CD2 4.31Å |
| 133 | L | 96.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 85.6 | 168 | -69.5 | 86.2 | 0 | 0 | 0 | 105.8 | F90 F92 G104 M105 I131 L146 I147 Y176 V185 | F90-L133 HydrophobicContact CZ-CD1 4.46Å; F92-L133 HydrophobicContact CD1-CD2 4.19Å; F92-L133 HydrophobicContact CE1-CD2 3.32Å; F92-L133 HydrophobicContact CE2-CD2 4.01Å; F92-L133 HydrophobicContact CZ-CD2 3.21Å; G104-L133 WeakPolarHBondContact CA-O 3.38Å; M105-L133 HydrophobicContact CG-CB 3.7Å; M105-L133 HydrophobicContact CG-CD1 4.15Å; M105-L133 HydrophobicContact CG-CD2 4.23Å; M105-L133 HydrophobicContact CG-CG 4.24Å; M105-L133 PolarHBondContact N-O 2.9Å; M105-L133 PolarHBondContact O-N 3.33Å; M105-L133 HydrophobicContact SD-CD2 4.31Å; I131-L133 HydrophobicContact CG2-CD1 4.41Å; L133-L146 CarbonylContact C-O 3.57Å; L133-L146 WeakPolarHBondContact CA-O 2.97Å; L133-I147 HydrophobicContact CD2-CD1 4.47Å; L133-I147 HydrophobicContact CG-CG1 4.23Å; L133-Y176 HydrophobicContact CB-CE1 4.12Å; L133-Y176 HydrophobicContact CB-CE2 4.5Å; L133-Y176 HydrophobicContact CD2-CD1 4.48Å; L133-Y176 HydrophobicContact CD2-CE1 4.39Å; L133-Y176 PolarHBondContact O-OH 3.36Å; L133-V185 HydrophobicContact CD2-CG2 4.48Å |
| 134 | D | 95.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 113.9 | -175.2 | -161.7 | -23.7 | 0 | 0 | 0 | 111.9 | F120 Y136 P145 L146 Y176 | F120-D134 HydrophobicContact CE1-CB 3.84Å; F120-D134 HydrophobicContact CZ-CB 3.93Å; F120-D134 WeakPolarHBondContact CZ-OD2 3.41Å; D134-Y136 PolarHBondContact OD1-N 3.39Å; D134-Y136 VanDerWaalsContact OD1-N 3.1Å; D134-P145 CarbonylContact O-C 3.46Å; D134-P145 WeakPolarHBondContact O-CA 3.27Å; D134-L146 HydrophobicContact CB-CB 4.34Å; D134-L146 PolarHBondContact N-O 2.9Å; D134-L146 PolarHBondContact O-N 3.5Å; D134-Y176 PolarHBondContact N-OH 2.72Å; D134-Y176 VanDerWaalsContact N-OH 3.13Å; D134-Y176 PolarHBondContact O-OH 2.65Å |
| 135 | S | 92.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -93.5 | -15.7 | -176.5 | 45.2 | 0 | 0 | 0 | 0 | 115 | G101 A102 G104 Y176 | G101-S135 WeakPolarHBondContact CA-O 3.33Å; A102-S135 PolarHBondContact N-OG 2.81Å; A102-S135 CarbonylContact O-C 3.55Å; A102-S135 PolarHBondContact O-OG 3.4Å; G104-S135 WeakPolarHBondContact CA-OG 3.4Å; S135-Y176 PolarHBondContact N-OH 3.14Å | ||
| 136 | Y | 91.4 | Very high | 95.5 | Very high | 94 Ų | 94 | 32.7 Ų | 32.7 | 37% | 0.369 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -111 | 145.2 | -176.1 | -171.9 | -93 | 0 | 0 | 0 | 109.4 | I100 A102 D134 N138 N144 | I100-Y136 HydrophobicContact CG2-CD2 3.89Å; I100-Y136 HydrophobicContact CG2-CE2 3.65Å; A102-Y136 WeakPolarHBondContact O-CB 3.3Å; A102-Y136 PolarHBondContact O-N 3.29Å; A102-Y136 VanDerWaalsContact O-N 3.13Å; D134-Y136 PolarHBondContact OD1-N 3.39Å; D134-Y136 VanDerWaalsContact OD1-N 3.1Å; Y136-N138 HydrophobicContact CD1-CB 4.45Å; Y136-N144 PolarHBondContact O-ND2 2.92Å |
| 137 | D | 93 | Very high | 95.5 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | trans | -101.4 | 94.4 | -177.9 | 177.3 | 5.3 | 0 | 0 | 0 | 107.1 | G140 K141 G142 N144 | D137-G140 WeakPolarHBondContact OD1-CA 3.18Å; D137-G140 PolarHBondContact OD1-N 3.09Å; D137-K141 PolarHBondContact OD1-N 2.78Å; D137-K141 VanDerWaalsContact OD1-N 3.13Å; D137-K141 PolarHBondContact OD2-N 3.48Å; D137-G142 VanDerWaalsContact OD2-CA 3.22Å; D137-G142 WeakPolarHBondContact OD2-CA 3.44Å; D137-G142 PolarHBondContact OD2-N 2.96Å; D137-N144 WeakPolarHBondContact CA-OD1 3.21Å; D137-N144 HydrophobicContact CB-CB 4.11Å; D137-N144 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 138 | N | 94.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 29 Ų | 29 | 37% | 0.369 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -78.7 | -30.4 | -176.7 | -75.7 | 101.7 | 0 | 0 | 0 | 112.2 | Y136 H160 D163 | Y136-N138 HydrophobicContact CD1-CB 4.45Å; N138-H160 WeakPolarHBondContact CB-O 3.5Å; N138-H160 VanDerWaalsContact CG-O 3.26Å; N138-D163 WeakPolarHBondContact CB-OD1 3.37Å; N138-D163 PolarHBondContact N-OD1 3.45Å; N138-D163 PolarHBondContact N-OD2 2.86Å; N138-D163 PolarHBondContact OD1-OD1 3.23Å |
| 139 | D | 95.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 28.9 Ų | 28.9 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -94.5 | -9.8 | -176.7 | 82 | 9.9 | 0 | 0 | 0 | 114.6 | K141 D163 | D139-K141 VanDerWaalsContact OD1-CB 3.23Å; D139-K141 WeakPolarHBondContact OD1-CB 3.16Å; D139-K141 WeakPolarHBondContact OD1-CD 3.23Å; D139-K141 WeakPolarHBondContact OD1-CG 3.46Å; D139-K141 PolarHBondContact OD1-N 2.73Å; D139-K141 VanDerWaalsContact OD2-CD 3.27Å; D139-K141 WeakPolarHBondContact OD2-CD 3.49Å; D139-K141 WeakPolarHBondContact OD2-CE 3.33Å; D139-K141 IonicContact OD2-NZ 3.21Å; D139-K141 PolarHBondContact OD2-NZ 2.84Å; D139-D163 PolarHBondContact N-OD2 3.5Å |
| 140 | G | 93.6 | Very high | 95.5 | Very high | 61 Ų | 61 | 29 Ų | 29 | 63% | 0.629 | 17% | 0.167 | S | C | * | . | S | Bend | trans | 80.7 | 18.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D137 | D137-G140 WeakPolarHBondContact OD1-CA 3.18Å; D137-G140 PolarHBondContact OD1-N 3.09Å |
| 141 | K | 94.9 | Very high | 95.5 | Very high | 133 Ų | 133 | 31.2 Ų | 31.2 | 58% | 0.578 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -84.5 | -8.2 | -177.6 | -71.8 | 175.4 | -167.4 | 148 | 0 | 114.4 | D137 D139 D143 | D137-K141 PolarHBondContact OD1-N 2.78Å; D137-K141 VanDerWaalsContact OD1-N 3.13Å; D137-K141 PolarHBondContact OD2-N 3.48Å; D139-K141 VanDerWaalsContact OD1-CB 3.23Å; D139-K141 WeakPolarHBondContact OD1-CB 3.16Å; D139-K141 WeakPolarHBondContact OD1-CD 3.23Å; D139-K141 WeakPolarHBondContact OD1-CG 3.46Å; D139-K141 PolarHBondContact OD1-N 2.73Å; D139-K141 VanDerWaalsContact OD2-CD 3.27Å; D139-K141 WeakPolarHBondContact OD2-CD 3.49Å; D139-K141 WeakPolarHBondContact OD2-CE 3.33Å; D139-K141 IonicContact OD2-NZ 3.21Å; D139-K141 PolarHBondContact OD2-NZ 2.84Å; K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 3.25Å |
| 142 | G | 92.5 | Very high | 95.5 | Very high | 43 Ų | 43 | 31.5 Ų | 31.5 | 44% | 0.443 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 70.4 | 23.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D137 K173 | D137-G142 VanDerWaalsContact OD2-CA 3.22Å; D137-G142 WeakPolarHBondContact OD2-CA 3.44Å; D137-G142 PolarHBondContact OD2-N 2.96Å; G142-K173 PolarHBondContact O-NZ 2.85Å |
| 143 | D | 93.7 | Very high | 95.5 | Very high | 59 Ų | 59 | 35.7 Ų | 35.7 | 32% | 0.316 | 20% | 0.203 | S | C | . | . | trans | -97.7 | -0.6 | 179.8 | 56.1 | -6.3 | 0 | 0 | 0 | 114.3 | K141 K173 | K141-D143 VanDerWaalsContact C-N 3.3Å; K141-D143 PolarHBondContact O-N 3.25Å; D143-K173 WeakPolarHBondContact O-CD 3.4Å; D143-K173 WeakPolarHBondContact O-CG 3.14Å | ||
| 144 | N | 93.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | trans | -84.8 | 155 | 172.1 | -53.8 | 69.9 | 0 | 0 | 0 | 112.3 | Y136 D137 K173 | Y136-N144 PolarHBondContact O-ND2 2.92Å; D137-N144 WeakPolarHBondContact CA-OD1 3.21Å; D137-N144 HydrophobicContact CB-CB 4.11Å; D137-N144 WeakPolarHBondContact CB-OD1 3.49Å; N144-K173 WeakPolarHBondContact O-CE 3.28Å | ||
| 145 | P | 94.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | S | Bend | cis | -69.8 | 129.6 | 0.2 | -15.5 | 31.6 | 0 | 0 | 0 | 112.7 | D134 N174 Y176 R177 | D134-P145 CarbonylContact O-C 3.46Å; D134-P145 WeakPolarHBondContact O-CA 3.27Å; P145-N174 WeakPolarHBondContact CB-O 3.49Å; P145-N174 PolarHBondContact O-N 3.34Å; P145-N174 VanDerWaalsContact O-N 3.1Å; P145-Y176 HydrophobicContact CB-CD1 4.07Å; P145-Y176 HydrophobicContact CB-CE1 3.42Å; P145-Y176 VanDerWaalsContact CB-CE1 3.42Å; P145-Y176 HydrophobicContact CB-CE2 4.08Å; P145-Y176 VanDerWaalsContact CB-CZ 3.44Å; P145-R177 HydrophobicContact CG-CG 4.22Å |
| 146 | L | 95.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.3 | -173.4 | -177 | 71.5 | 0 | 0 | 0 | 109.1 | L133 D134 L168 | L133-L146 CarbonylContact C-O 3.57Å; L133-L146 WeakPolarHBondContact CA-O 2.97Å; D134-L146 HydrophobicContact CB-CB 4.34Å; D134-L146 PolarHBondContact N-O 2.9Å; D134-L146 PolarHBondContact O-N 3.5Å; L146-L168 HydrophobicContact CD2-CD1 3.75Å |
| 147 | I | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.3 | 167.5 | -57.7 | -177.8 | 0 | 0 | 0 | 107.1 | I131 F132 L133 S171 C172 N174 Y176 V198 L212 | I131-I147 HydrophobicContact CG2-CG2 3.97Å; F132-I147 CarbonylContact O-C 3.44Å; F132-I147 VanDerWaalsContact O-CA 3.23Å; F132-I147 WeakPolarHBondContact O-CA 2.9Å; L133-I147 HydrophobicContact CD2-CD1 4.47Å; L133-I147 HydrophobicContact CG-CG1 4.23Å; I147-S171 CarbonylContact O-C 3.57Å; I147-S171 WeakPolarHBondContact O-CA 2.98Å; I147-S171 WeakPolarHBondContact O-CB 3.34Å; I147-C172 PolarHBondContact N-O 3.2Å; I147-C172 PolarHBondContact O-N 2.86Å; I147-N174 HydrophobicContact CD1-CB 3.71Å; I147-N174 HydrophobicContact CG1-CB 4.27Å; I147-Y176 HydrophobicContact CD1-CD1 4.12Å; I147-Y176 HydrophobicContact CD1-CE1 4.34Å; I147-Y176 HydrophobicContact CG1-CD1 4.2Å; I147-Y176 HydrophobicContact CG1-CE1 3.92Å; I147-V198 HydrophobicContact CD1-CB 4.48Å; I147-V198 HydrophobicContact CD1-CG1 4.2Å; I147-V198 HydrophobicContact CD1-CG2 3.77Å; I147-L212 HydrophobicContact CG2-CD2 4.31Å |
| 148 | G | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I131 F132 | I131-G148 CarbonylContact C-O 3.52Å; I131-G148 WeakPolarHBondContact CA-O 3.44Å; F132-G148 PolarHBondContact N-O 3.49Å; F132-G148 PolarHBondContact O-N 2.94Å |
| 149 | A | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L129 A130 I131 L168 F169 A170 L194 L212 | L129-A149 HydrophobicContact CD1-CB 4.41Å; A130-A149 WeakPolarHBondContact O-CA 3.3Å; I131-A149 HydrophobicContact CG1-CB 4.32Å; A149-L168 CarbonylContact O-C 3.59Å; A149-L168 VanDerWaalsContact O-CA 3.31Å; A149-L168 WeakPolarHBondContact O-CA 3.14Å; A149-F169 HydrophobicContact CB-CD2 4.49Å; A149-F169 HydrophobicContact CB-CE1 3.84Å; A149-F169 HydrophobicContact CB-CE2 3.72Å; A149-F169 HydrophobicContact CB-CZ 3.35Å; A149-F169 WeakPolarHBondContact O-CD1 3.36Å; A149-F169 WeakPolarHBondContact O-CE1 3.24Å; A149-F169 PolarHBondContact O-N 2.96Å; A149-A170 PolarHBondContact N-O 3.3Å; A149-L194 HydrophobicContact CB-CD2 4.1Å; A149-L212 HydrophobicContact CB-CD1 4.08Å; A149-L212 HydrophobicContact CB-CD2 3.98Å |
| 150 | M | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 136.6 | -179.7 | -176.5 | 174.3 | 168.6 | 0 | 0 | 111.6 | W126 A130 F132 K156 F158 Q167 L168 | W126-M150 HydrophobicContact CH2-CE 3.72Å; W126-M150 HydrophobicContact CH2-CG 4.27Å; W126-M150 HydrophobicContact CH2-SD 3.5Å; W126-M150 WeakPolarHBondContact CH2-SD 3.48Å; W126-M150 HydrophobicContact CZ2-CB 4.13Å; W126-M150 HydrophobicContact CZ2-CE 4Å; W126-M150 HydrophobicContact CZ2-CG 3.79Å; W126-M150 HydrophobicContact CZ2-SD 3.66Å; A130-M150 PolarHBondContact N-O 3.46Å; A130-M150 PolarHBondContact O-N 2.96Å; F132-M150 HydrophobicContact CD2-CB 4.38Å; F132-M150 HydrophobicContact CE2-CB 3.65Å; F132-M150 HydrophobicContact CE2-CG 4.44Å; F132-M150 HydrophobicContact CE2-SD 4.03Å; F132-M150 HydrophobicContact CZ-CB 4.48Å; M150-K156 HydrophobicContact CE-CB 4.17Å; M150-K156 HydrophobicContact CE-CD 4.32Å; M150-F158 HydrophobicContact SD-CD2 3.77Å; M150-F158 HydrophobicContact SD-CE2 4.31Å; M150-Q167 HydrophobicContact CE-CB 3.89Å; M150-Q167 HydrophobicContact CE-CG 4.42Å; M150-Q167 HydrophobicContact CG-CB 4.42Å; M150-Q167 HydrophobicContact SD-CB 3.69Å; M150-L168 HydrophobicContact CB-CD2 4.11Å |
| 151 | L | 98.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.3 | 167.2 | -71.9 | 176.7 | 0 | 0 | 0 | 109.6 | G128 L129 F169 V217 L219 | G128-L151 WeakPolarHBondContact O-CA 3.28Å; L129-L151 HydrophobicContact CB-CD2 4.15Å; L129-L151 HydrophobicContact CD1-CD2 4.27Å; L151-F169 HydrophobicContact CB-CE1 4.34Å; L151-F169 HydrophobicContact CD1-CE1 4.44Å; L151-F169 HydrophobicContact CG-CD1 4.19Å; L151-F169 HydrophobicContact CG-CE1 3.7Å; L151-F169 HydrophobicContact CG-CZ 4.45Å; L151-V217 HydrophobicContact CD1-CG1 4.14Å; L151-V217 HydrophobicContact CD2-CG1 4.15Å; L151-V217 HydrophobicContact CG-CG1 4.5Å; L151-L219 HydrophobicContact CD2-CD2 3.66Å |
| 152 | N | 98.5 | Very high | 96.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.8 | 172.9 | -165.1 | -1.9 | 0 | 0 | 0 | 109.1 | W126 N127 G128 G154 T155 K156 | W126-N152 HydrophobicContact CD2-CB 3.74Å; W126-N152 HydrophobicContact CE3-CB 4.38Å; W126-N152 HydrophobicContact CG-CB 4.1Å; W126-N152 HydrophobicContact CH2-CB 4.33Å; W126-N152 HydrophobicContact CZ2-CB 3.72Å; W126-N152 CarbonylContact O-C 2.97Å; W126-N152 WeakPolarHBondContact O-CB 3.38Å; W126-N152 PolarHBondContact O-ND2 2.73Å; N127-N152 CarbonylContact C-O 3.47Å; N127-N152 WeakPolarHBondContact CA-O 3.45Å; G128-N152 PolarHBondContact N-O 3.31Å; G128-N152 PolarHBondContact O-N 2.92Å; G128-N152 VanDerWaalsContact O-N 3.07Å; N152-G154 PolarHBondContact OD1-N 3.04Å; N152-T155 PolarHBondContact OD1-N 3.36Å; N152-K156 PolarHBondContact ND2-O 2.97Å; N152-K156 WeakPolarHBondContact OD1-CB 3.31Å; N152-K156 PolarHBondContact OD1-N 2.79Å |
| 153 | D | 97.2 | Very high | 96.8 | Very high | 92 Ų | 92 | 37.1 Ų | 37.1 | 49% | 0.492 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 5.9 | -179.2 | 57.4 | 4.2 | 0 | 0 | 0 | 112 | N127 T155 | N127-D153 PolarHBondContact ND2-O 2.81Å; D153-T155 WeakPolarHBondContact OD1-CB 3.48Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.36Å; D153-T155 PolarHBondContact OD1-N 3.5Å; D153-T155 PolarHBondContact OD1-OG1 2.84Å |
| 154 | G | 97.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 97.6 | 2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q125 W126 N152 | Q125-G154 WeakPolarHBondContact CB-O 3.24Å; Q125-G154 WeakPolarHBondContact O-CA 3.38Å; W126-G154 WeakPolarHBondContact O-CA 3.24Å; W126-G154 PolarHBondContact O-N 3.44Å; N152-G154 PolarHBondContact OD1-N 3.04Å |
| 155 | T | 97.7 | Very high | 96.9 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 56% | 0.564 | 21% | 0.213 | S | C | * | . | trans | -106.6 | -30.5 | -176.2 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | N152 D153 | N152-T155 PolarHBondContact OD1-N 3.36Å; D153-T155 WeakPolarHBondContact OD1-CB 3.48Å; D153-T155 WeakPolarHBondContact OD1-CG2 3.36Å; D153-T155 PolarHBondContact OD1-N 3.5Å; D153-T155 PolarHBondContact OD1-OG1 2.84Å | ||
| 156 | K | 97.1 | Very high | 96.9 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 146.4 | -170.7 | -55.7 | 174.5 | -172.5 | 169.4 | 0 | 111.4 | Q125 M150 N152 | Q125-K156 PolarHBondContact N-O 3.27Å; M150-K156 HydrophobicContact CE-CB 4.17Å; M150-K156 HydrophobicContact CE-CD 4.32Å; N152-K156 PolarHBondContact ND2-O 2.97Å; N152-K156 WeakPolarHBondContact OD1-CB 3.31Å; N152-K156 PolarHBondContact OD1-N 2.79Å |
| 157 | T | 97.3 | Very high | 97 | Very high | 78 Ų | 78 | 46.7 Ų | 46.7 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 134.5 | 168.9 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | D124 Q125 D159 Q167 | D124-T157 VanDerWaalsContact CG-CA 3.46Å; D124-T157 WeakPolarHBondContact OD1-CA 3.42Å; D124-T157 VanDerWaalsContact OD2-CA 3.25Å; D124-T157 WeakPolarHBondContact OD2-CA 3.44Å; D124-T157 WeakPolarHBondContact OD2-CB 3.38Å; Q125-T157 HydrophobicContact CG-CG2 4.43Å; T157-D159 PolarHBondContact O-N 3.27Å; T157-Q167 PolarHBondContact O-NE2 2.8Å |
| 158 | F | 97.9 | Very high | 97 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.022 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 131.4 | 176.4 | -172 | -101.2 | 0 | 0 | 0 | 111.5 | V119 F120 D124 W126 F132 M150 H160 | V119-F158 HydrophobicContact CG1-CB 3.97Å; V119-F158 HydrophobicContact CG1-CD1 4.39Å; V119-F158 HydrophobicContact CG1-CG 4.11Å; V119-F158 HydrophobicContact CG2-CB 3.81Å; F120-F158 HydrophobicContact CE2-CD1 4.3Å; F120-F158 AromaticContact CE2-CE1 3.71Å; F120-F158 HydrophobicContact CE2-CE1 3.71Å; F120-F158 AromaticContact CE2-CZ 3.83Å; F120-F158 HydrophobicContact CE2-CZ 3.83Å; F120-F158 HydrophobicContact CZ-CE1 4.19Å; F120-F158 HydrophobicContact CZ-CZ 4.22Å; D124-F158 PolarHBondContact OD1-N 3.02Å; D124-F158 PolarHBondContact OD2-N 2.8Å; D124-F158 VanDerWaalsContact OD2-N 3.15Å; W126-F158 HydrophobicContact CH2-CB 4.45Å; W126-F158 HydrophobicContact CZ3-CB 4.39Å; F132-F158 HydrophobicContact CD2-CD2 4.43Å; F132-F158 AromaticContact CD2-CE2 3.76Å; F132-F158 HydrophobicContact CD2-CE2 3.76Å; F132-F158 HydrophobicContact CD2-CZ 4.31Å; F132-F158 AromaticContact CE2-CD2 3.7Å; F132-F158 HydrophobicContact CE2-CD2 3.7Å; F132-F158 AromaticContact CE2-CE2 3.46Å; F132-F158 HydrophobicContact CE2-CE2 3.46Å; F132-F158 VanDerWaalsContact CE2-CE2 3.46Å; F132-F158 HydrophobicContact CE2-CZ 4.35Å; F132-F158 AromaticContact CZ-CD2 3.97Å; F132-F158 HydrophobicContact CZ-CD2 3.97Å; F132-F158 HydrophobicContact CZ-CE2 4.1Å; M150-F158 HydrophobicContact SD-CD2 3.77Å; M150-F158 HydrophobicContact SD-CE2 4.31Å; F158-H160 AromaticContact CD1-CD2 3.88Å; F158-H160 AromaticContact CD1-CE1 3.62Å; F158-H160 AromaticContact CD1-CG 3.85Å; F158-H160 AromaticContact CD1-ND1 3.67Å; F158-H160 AromaticContact CD1-NE2 3.76Å; F158-H160 AromaticContact CE1-ND1 3.74Å; F158-H160 PolarHBondContact O-N 2.86Å |
| 159 | D | 97.5 | Very high | 97 | Very high | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 28% | 0.284 | S | S | . | . | trans | -94.1 | 94.6 | 177.5 | -179.6 | 20.2 | 0 | 0 | 0 | 111 | T157 S161 S162 G164 | T157-D159 PolarHBondContact O-N 3.27Å; D159-S161 PolarHBondContact O-N 3.4Å; D159-S161 WeakPolarHBondContact OD1-CB 3.28Å; D159-S161 PolarHBondContact OD1-N 2.89Å; D159-S161 PolarHBondContact OD1-OG 2.95Å; D159-S162 WeakPolarHBondContact OD2-CB 3.37Å; D159-S162 PolarHBondContact OD2-OG 2.85Å; D159-G164 PolarHBondContact O-N 2.98Å | ||
| 160 | H | 94.4 | Very high | 97 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 22% | 0.222 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -66.4 | -19.2 | 174.6 | -66.7 | -83.2 | 0 | 0 | 0 | 113.4 | K118 N138 F158 S162 | K118-H160 PolarHBondContact O-CE1 3.33Å; K118-H160 VanDerWaalsContact O-CE1 3.24Å; K118-H160 PolarHBondContact O-NE2 3.12Å; N138-H160 WeakPolarHBondContact CB-O 3.5Å; N138-H160 VanDerWaalsContact CG-O 3.26Å; F158-H160 AromaticContact CD1-CD2 3.88Å; F158-H160 AromaticContact CD1-CE1 3.62Å; F158-H160 AromaticContact CD1-CG 3.85Å; F158-H160 AromaticContact CD1-ND1 3.67Å; F158-H160 AromaticContact CD1-NE2 3.76Å; F158-H160 AromaticContact CE1-ND1 3.74Å; F158-H160 PolarHBondContact O-N 2.86Å; H160-S162 VanDerWaalsContact C-N 3.29Å; H160-S162 PolarHBondContact O-N 3.17Å |
| 161 | S | 95.9 | Very high | 96.9 | Very high | 92 Ų | 92 | 55.5 Ų | 55.5 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -78.2 | -20.4 | -174.5 | -41.7 | 0 | 0 | 0 | 0 | 112.4 | D159 | D159-S161 PolarHBondContact O-N 3.4Å; D159-S161 WeakPolarHBondContact OD1-CB 3.28Å; D159-S161 PolarHBondContact OD1-N 2.89Å; D159-S161 PolarHBondContact OD1-OG 2.95Å |
| 162 | S | 96.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -121.5 | 18.8 | -178.2 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | D159 H160 G164 S165 | D159-S162 WeakPolarHBondContact OD2-CB 3.37Å; D159-S162 PolarHBondContact OD2-OG 2.85Å; H160-S162 VanDerWaalsContact C-N 3.29Å; H160-S162 PolarHBondContact O-N 3.17Å; S162-G164 PolarHBondContact O-N 2.85Å; S162-S165 WeakPolarHBondContact O-CB 3.42Å; S162-S165 PolarHBondContact O-N 3.46Å; S162-S165 PolarHBondContact O-OG 2.89Å; S162-S165 VanDerWaalsContact O-OG 3.11Å; S162-S165 PolarHBondContact OG-OG 2.98Å |
| 163 | D | 95.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.027 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 31.7 | -175.8 | -60.9 | -59.2 | 0 | 0 | 0 | 113 | N138 D139 S165 | N138-D163 WeakPolarHBondContact CB-OD1 3.37Å; N138-D163 PolarHBondContact N-OD1 3.45Å; N138-D163 PolarHBondContact N-OD2 2.86Å; N138-D163 PolarHBondContact OD1-OD1 3.23Å; D139-D163 PolarHBondContact N-OD2 3.5Å; D163-S165 VanDerWaalsContact C-N 3.25Å; D163-S165 PolarHBondContact O-N 3.4Å |
| 164 | G | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 15.5 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | D159 S162 Q166 Q167 L168 | D159-G164 PolarHBondContact O-N 2.98Å; S162-G164 PolarHBondContact O-N 2.85Å; G164-Q166 VanDerWaalsContact C-N 3.27Å; G164-Q166 PolarHBondContact O-N 3.28Å; G164-Q167 CarbonylContact O-C 3.59Å; G164-Q167 WeakPolarHBondContact O-CA 3.16Å; G164-Q167 WeakPolarHBondContact O-CB 3.15Å; G164-Q167 PolarHBondContact O-N 3.45Å; G164-L168 WeakPolarHBondContact O-CG 3.41Å; G164-L168 PolarHBondContact O-N 3.38Å |
| 165 | S | 92.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | -37.4 | -170.6 | 57.8 | 0 | 0 | 0 | 0 | 116.3 | S162 D163 | S162-S165 WeakPolarHBondContact O-CB 3.42Å; S162-S165 PolarHBondContact O-N 3.46Å; S162-S165 PolarHBondContact O-OG 2.89Å; S162-S165 VanDerWaalsContact O-OG 3.11Å; S162-S165 PolarHBondContact OG-OG 2.98Å; D163-S165 VanDerWaalsContact C-N 3.25Å; D163-S165 PolarHBondContact O-N 3.4Å |
| 166 | Q | 95 | Very high | 96.2 | Very high | 188 Ų | 188 | 54.4 Ų | 54.4 | 88% | 0.879 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.5 | 177.2 | -62.2 | -172.3 | 4.8 | 0 | 0 | 114.2 | G164 | G164-Q166 VanDerWaalsContact C-N 3.27Å; G164-Q166 PolarHBondContact O-N 3.28Å |
| 167 | Q | 97.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -28.8 | -176 | -52.2 | -174.7 | -54.8 | 0 | 0 | 112.3 | M150 T157 G164 | M150-Q167 HydrophobicContact CE-CB 3.89Å; M150-Q167 HydrophobicContact CE-CG 4.42Å; M150-Q167 HydrophobicContact CG-CB 4.42Å; M150-Q167 HydrophobicContact SD-CB 3.69Å; T157-Q167 PolarHBondContact O-NE2 2.8Å; G164-Q167 CarbonylContact O-C 3.59Å; G164-Q167 WeakPolarHBondContact O-CA 3.16Å; G164-Q167 WeakPolarHBondContact O-CB 3.15Å; G164-Q167 PolarHBondContact O-N 3.45Å |
| 168 | L | 98.1 | Very high | 95.6 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | trans | -71.8 | 126.9 | 174.8 | -56.9 | 179.7 | 0 | 0 | 0 | 110 | F132 L146 A149 M150 G164 | F132-L168 HydrophobicContact CD2-CD2 3.85Å; F132-L168 HydrophobicContact CE2-CD2 4.31Å; L146-L168 HydrophobicContact CD2-CD1 3.75Å; A149-L168 CarbonylContact O-C 3.59Å; A149-L168 VanDerWaalsContact O-CA 3.31Å; A149-L168 WeakPolarHBondContact O-CA 3.14Å; M150-L168 HydrophobicContact CB-CD2 4.11Å; G164-L168 WeakPolarHBondContact O-CG 3.41Å; G164-L168 PolarHBondContact O-N 3.38Å | ||
| 169 | F | 97.8 | Very high | 95.3 | Very high | 78 Ų | 78 | 54 Ų | 54 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -89.7 | -16.2 | 175.6 | 62.6 | -99.7 | 0 | 0 | 0 | 112.6 | L129 A149 L151 L194 A214 V217 | L129-F169 HydrophobicContact CD1-CE1 4.13Å; L129-F169 HydrophobicContact CD1-CZ 3.91Å; A149-F169 HydrophobicContact CB-CD2 4.49Å; A149-F169 HydrophobicContact CB-CE1 3.84Å; A149-F169 HydrophobicContact CB-CE2 3.72Å; A149-F169 HydrophobicContact CB-CZ 3.35Å; A149-F169 WeakPolarHBondContact O-CD1 3.36Å; A149-F169 WeakPolarHBondContact O-CE1 3.24Å; A149-F169 PolarHBondContact O-N 2.96Å; L151-F169 HydrophobicContact CB-CE1 4.34Å; L151-F169 HydrophobicContact CD1-CE1 4.44Å; L151-F169 HydrophobicContact CG-CD1 4.19Å; L151-F169 HydrophobicContact CG-CE1 3.7Å; L151-F169 HydrophobicContact CG-CZ 4.45Å; F169-L194 HydrophobicContact CE2-CD2 3.98Å; F169-L194 HydrophobicContact CZ-CD2 3.75Å; F169-A214 HydrophobicContact CD2-CB 3.51Å; F169-A214 HydrophobicContact CE2-CB 3.42Å; F169-A214 VanDerWaalsContact CE2-CB 3.42Å; F169-V217 HydrophobicContact CE2-CG2 4.02Å; F169-V217 HydrophobicContact CZ-CG2 4.25Å |
| 170 | A | 98 | Very high | 95.1 | Very high | 17 Ų | 17 | 55 Ų | 55 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 146.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | A149 L212 A214 | A149-A170 PolarHBondContact N-O 3.3Å; A170-L212 HydrophobicContact CB-CB 3.99Å; A170-L212 HydrophobicContact CB-CD1 4.26Å; A170-L212 HydrophobicContact CB-CD2 4.5Å; A170-L212 HydrophobicContact CB-CG 4.47Å; A170-A214 HydrophobicContact CB-CB 4.39Å |
| 171 | S | 97.9 | Very high | 95 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 164.8 | 177.4 | 65.5 | 0 | 0 | 0 | 0 | 112.4 | I147 | I147-S171 CarbonylContact O-C 3.57Å; I147-S171 WeakPolarHBondContact O-CA 2.98Å; I147-S171 WeakPolarHBondContact O-CB 3.34Å |
| 172 | C | 97.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 54 Ų | 54 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.5 | 172.6 | 93.5 | 0 | 0 | 0 | 0 | 110.2 | I147 C211 | I147-C172 PolarHBondContact N-O 3.2Å; I147-C172 PolarHBondContact O-N 2.86Å; C172-C211 HydrophobicContact CB-CB 3.99Å; C172-C211 WeakPolarHBondContact CB-O 3.27Å; C172-C211 WeakPolarHBondContact CB-SG 3.38Å; C172-C211 VanDerWaalsContact SG-CA 3.52Å; C172-C211 WeakPolarHBondContact SG-CB 3.24Å; C172-C211 CovalentContact SG-SG 2.03Å; C172-C211 PolarHBondContact SG-SG 3.03Å |
| 173 | K | 96.5 | Very high | 94.7 | Very high | 129 Ų | 129 | 53 Ų | 53 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.9 | 170.3 | -174.3 | 169.8 | -174.1 | 170.1 | 0 | 109.7 | G142 D143 N144 | G142-K173 PolarHBondContact O-NZ 2.85Å; D143-K173 WeakPolarHBondContact O-CD 3.4Å; D143-K173 WeakPolarHBondContact O-CG 3.14Å; N144-K173 WeakPolarHBondContact O-CE 3.28Å |
| 174 | N | 94.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 56.1 Ų | 56.1 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -144.5 | 117.7 | 174.7 | -171.7 | -74 | 0 | 0 | 0 | 109.4 | P145 I147 Y176 | P145-N174 WeakPolarHBondContact CB-O 3.49Å; P145-N174 PolarHBondContact O-N 3.34Å; P145-N174 VanDerWaalsContact O-N 3.1Å; I147-N174 HydrophobicContact CD1-CB 3.71Å; I147-N174 HydrophobicContact CG1-CB 4.27Å; N174-Y176 HydrophobicContact CB-CD1 4.44Å; N174-Y176 WeakPolarHBondContact O-CD1 3.29Å; N174-Y176 WeakPolarHBondContact O-CE1 3.49Å; N174-Y176 PolarHBondContact O-N 2.83Å | ||
| 175 | D | 93 | Very high | 94.7 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | trans | -77.2 | 96.8 | 175.1 | 174.1 | 31.4 | 0 | 0 | 0 | 108.9 | R179 | D175-R179 PolarHBondContact O-NE 3.43Å; D175-R179 PolarHBondContact O-NH2 3.12Å; D175-R179 IonicContact OD2-CZ 2.99Å; D175-R179 VanDerWaalsContact OD2-CZ 3.23Å; D175-R179 IonicContact OD2-NH1 3.65Å; D175-R179 PolarHBondContact OD2-NH1 2.92Å; D175-R179 IonicContact OD2-NH2 2.61Å; D175-R179 PolarHBondContact OD2-NH2 3.42Å | ||
| 176 | Y | 93.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -105.7 | -0.9 | -178.7 | 51.8 | -106.7 | 0 | 0 | 0 | 113.5 | F92 I94 L133 D134 S135 P145 I147 N174 | F92-Y176 AromaticContact CE2-CD2 3.66Å; F92-Y176 HydrophobicContact CE2-CD2 3.66Å; F92-Y176 HydrophobicContact CE2-CE2 4.41Å; F92-Y176 AromaticContact CE2-CG 3.95Å; F92-Y176 HydrophobicContact CE2-CG 3.95Å; F92-Y176 HydrophobicContact CZ-CD1 4.34Å; F92-Y176 AromaticContact CZ-CD2 3.9Å; F92-Y176 HydrophobicContact CZ-CD2 3.9Å; F92-Y176 AromaticContact CZ-CG 3.71Å; F92-Y176 HydrophobicContact CZ-CG 3.71Å; I94-Y176 HydrophobicContact CD1-CD2 3.89Å; I94-Y176 HydrophobicContact CD1-CE2 3.55Å; L133-Y176 HydrophobicContact CB-CE1 4.12Å; L133-Y176 HydrophobicContact CB-CE2 4.5Å; L133-Y176 HydrophobicContact CD2-CD1 4.48Å; L133-Y176 HydrophobicContact CD2-CE1 4.39Å; L133-Y176 PolarHBondContact O-OH 3.36Å; D134-Y176 PolarHBondContact N-OH 2.72Å; D134-Y176 VanDerWaalsContact N-OH 3.13Å; D134-Y176 PolarHBondContact O-OH 2.65Å; S135-Y176 PolarHBondContact N-OH 3.14Å; P145-Y176 HydrophobicContact CB-CD1 4.07Å; P145-Y176 HydrophobicContact CB-CE1 3.42Å; P145-Y176 VanDerWaalsContact CB-CE1 3.42Å; P145-Y176 HydrophobicContact CB-CE2 4.08Å; P145-Y176 VanDerWaalsContact CB-CZ 3.44Å; I147-Y176 HydrophobicContact CD1-CD1 4.12Å; I147-Y176 HydrophobicContact CD1-CE1 4.34Å; I147-Y176 HydrophobicContact CG1-CD1 4.2Å; I147-Y176 HydrophobicContact CG1-CE1 3.92Å; N174-Y176 HydrophobicContact CB-CD1 4.44Å; N174-Y176 WeakPolarHBondContact O-CD1 3.29Å; N174-Y176 WeakPolarHBondContact O-CE1 3.49Å; N174-Y176 PolarHBondContact O-N 2.83Å | ||
| 177 | R | 90.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -81.9 | 145.2 | -175.6 | -67.9 | -169 | -71.5 | 124.8 | -4.5 | 111.4 | I94 K99 P145 R179 | I94-R177 HydrophobicContact CG2-CG 4.29Å; K99-R177 VanDerWaalsContact C-NH1 3.34Å; K99-R177 VanDerWaalsContact O-CZ 3.24Å; K99-R177 PolarHBondContact O-NH1 3.41Å; K99-R177 PolarHBondContact O-NH2 3.45Å; P145-R177 HydrophobicContact CG-CG 4.22Å; R177-R179 PolarHBondContact O-N 3.39Å |
| 178 | N | 89.8 | Confident | 95.1 | Very high | 79 Ų | 79 | 47.3 Ų | 47.3 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 30.5 | 174.2 | -64.3 | -37.9 | 0 | 0 | 0 | 113.4 | I94 K95 G96 | I94-N178 PolarHBondContact O-N 2.99Å; K95-N178 WeakPolarHBondContact CA-OD1 3.44Å; G96-N178 PolarHBondContact N-OD1 2.8Å; G96-N178 VanDerWaalsContact N-OD1 3.12Å; G96-N178 PolarHBondContact O-ND2 2.61Å; G96-N178 PolarHBondContact O-OD1 3.49Å |
| 179 | R | 92.5 | Very high | 95 | Very high | 54 Ų | 54 | 46.7 Ų | 46.7 | 20% | 0.204 | 23% | 0.233 | C | C | . | . | trans | -71.8 | 143.6 | 177.1 | -69.6 | -59.2 | -170.4 | -152.3 | -0.4 | 111 | Q93 D175 R177 F181 V183 D200 | Q93-R179 PolarHBondContact NE2-O 2.94Å; D175-R179 PolarHBondContact O-NE 3.43Å; D175-R179 PolarHBondContact O-NH2 3.12Å; D175-R179 IonicContact OD2-CZ 2.99Å; D175-R179 VanDerWaalsContact OD2-CZ 3.23Å; D175-R179 IonicContact OD2-NH1 3.65Å; D175-R179 PolarHBondContact OD2-NH1 2.92Å; D175-R179 IonicContact OD2-NH2 2.61Å; D175-R179 PolarHBondContact OD2-NH2 3.42Å; R177-R179 PolarHBondContact O-N 3.39Å; R179-F181 PolarHBondContact O-N 2.88Å; R179-V183 HydrophobicContact CB-CG2 4.15Å; R179-V183 HydrophobicContact CG-CG2 3.9Å; R179-D200 WeakPolarHBondContact CD-O 3.43Å; R179-D200 WeakPolarHBondContact CG-O 3.35Å; R179-D200 PolarHBondContact NE-O 3.31Å | ||
| 180 | P | 92.3 | Very high | 94.8 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 54% | 0.539 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -62.6 | -33.5 | -178.6 | 23.1 | -31.7 | 0 | 0 | 0 | 112.3 | G201 | P180-G201 VanDerWaalsContact CD-O 3.27Å; P180-G201 WeakPolarHBondContact CD-O 3.49Å; P180-G201 WeakPolarHBondContact CG-O 3.28Å |
| 181 | F | 92.5 | Very high | 94.4 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -116.6 | 157.2 | 176 | -58.4 | -80.9 | 0 | 0 | 0 | 111.5 | R179 V183 G201 L202 S203 P204 | R179-F181 PolarHBondContact O-N 2.88Å; F181-V183 PolarHBondContact O-N 3.13Å; F181-G201 PolarHBondContact N-O 3.41Å; F181-L202 WeakPolarHBondContact CD2-O 3.45Å; F181-L202 WeakPolarHBondContact CE2-O 3.33Å; F181-S203 VanDerWaalsContact CD2-C 3.5Å; F181-S203 VanDerWaalsContact CD2-CA 3.42Å; F181-P204 HydrophobicContact CD1-CB 4.18Å; F181-P204 HydrophobicContact CD1-CG 3.82Å; F181-P204 HydrophobicContact CE1-CB 4.37Å; F181-P204 HydrophobicContact CE1-CG 3.55Å; F181-P204 HydrophobicContact CE2-CG 4.36Å; F181-P204 HydrophobicContact CG-CG 4.34Å; F181-P204 HydrophobicContact CZ-CG 3.84Å |
| 182 | P | 91.7 | Very high | 94.3 | Very high | 40 Ų | 40 | 49.4 Ų | 49.4 | 26% | 0.26 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -56.7 | 132.6 | 173.9 | -25.1 | 35 | 0 | 0 | 0 | 111.9 | F92 Y236 | F92-P182 CarbonylContact O-C 3.6Å; F92-P182 WeakPolarHBondContact O-CA 3.26Å; P182-Y236 HydrophobicContact CB-CD2 3.95Å; P182-Y236 HydrophobicContact CB-CE2 4.38Å; P182-Y236 HydrophobicContact CB-CG 4.39Å; P182-Y236 HydrophobicContact CG-CD1 4.39Å; P182-Y236 HydrophobicContact CG-CD2 3.86Å; P182-Y236 HydrophobicContact CG-CE2 4.02Å; P182-Y236 HydrophobicContact CG-CG 4.05Å |
| 183 | V | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.9 | 173 | 171 | 0 | 0 | 0 | 0 | 108.4 | S91 F92 R179 F181 V198 T199 | S91-V183 CarbonylContact C-O 3.48Å; S91-V183 VanDerWaalsContact CA-O 3.31Å; S91-V183 WeakPolarHBondContact CA-O 3.43Å; F92-V183 HydrophobicContact CD1-CB 4.37Å; F92-V183 HydrophobicContact CD1-CG1 4.4Å; F92-V183 WeakPolarHBondContact CD1-O 3.42Å; F92-V183 HydrophobicContact CE1-CB 3.87Å; F92-V183 HydrophobicContact CE1-CG1 3.56Å; F92-V183 HydrophobicContact CE2-CB 4.31Å; F92-V183 HydrophobicContact CZ-CB 3.83Å; F92-V183 HydrophobicContact CZ-CG1 3.68Å; F92-V183 PolarHBondContact N-O 3.36Å; F92-V183 PolarHBondContact O-N 3.04Å; R179-V183 HydrophobicContact CB-CG2 4.15Å; R179-V183 HydrophobicContact CG-CG2 3.9Å; F181-V183 PolarHBondContact O-N 3.13Å; V183-V198 HydrophobicContact CG1-CG1 3.54Å; V183-T199 WeakPolarHBondContact CG1-O 3.27Å |
| 184 | K | 95.3 | Very high | 94.4 | Very high | 70 Ų | 70 | 44.6 Ų | 44.6 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.8 | 177.6 | -46 | 179.3 | -173.2 | 156.3 | 0 | 109.2 | F90 V198 T199 P204 F208 | F90-K184 CarbonylContact O-C 3.59Å; F90-K184 WeakPolarHBondContact O-CA 3.45Å; K184-V198 WeakPolarHBondContact O-CA 3.4Å; K184-T199 HydrophobicContact CB-CG2 3.83Å; K184-T199 HydrophobicContact CD-CG2 4.36Å; K184-T199 HydrophobicContact CG-CG2 4.23Å; K184-T199 PolarHBondContact N-OG1 3.13Å; K184-T199 PolarHBondContact O-N 2.89Å; K184-P204 PolarHBondContact NZ-O 3.1Å; K184-F208 HydrophobicContact CB-CE1 3.84Å; K184-F208 HydrophobicContact CB-CZ 3.76Å |
| 185 | V | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.5 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 107.6 | E89 F90 F92 L133 V187 V196 S197 V198 | E89-V185 CarbonylContact C-O 3.57Å; E89-V185 WeakPolarHBondContact CA-O 3.35Å; F90-V185 HydrophobicContact CD1-CB 4.16Å; F90-V185 HydrophobicContact CD2-CB 4.23Å; F90-V185 HydrophobicContact CD2-CG2 4.38Å; F90-V185 HydrophobicContact CE1-CB 3.7Å; F90-V185 HydrophobicContact CE1-CG1 3.7Å; F90-V185 HydrophobicContact CE1-CG2 4.45Å; F90-V185 HydrophobicContact CE2-CB 3.77Å; F90-V185 HydrophobicContact CE2-CG1 4.41Å; F90-V185 HydrophobicContact CE2-CG2 3.69Å; F90-V185 HydrophobicContact CG-CB 4.41Å; F90-V185 HydrophobicContact CZ-CB 3.49Å; F90-V185 VanDerWaalsContact CZ-CB 3.49Å; F90-V185 HydrophobicContact CZ-CG1 3.64Å; F90-V185 HydrophobicContact CZ-CG2 3.74Å; F90-V185 PolarHBondContact N-O 2.83Å; F90-V185 PolarHBondContact O-N 3.17Å; F92-V185 HydrophobicContact CD1-CG2 4.02Å; F92-V185 HydrophobicContact CE1-CG2 3.54Å; L133-V185 HydrophobicContact CD2-CG2 4.48Å; V185-V187 HydrophobicContact CG1-CG2 3.98Å; V185-V196 HydrophobicContact CG1-CG1 3.96Å; V185-S197 CarbonylContact C-O 3.51Å; V185-S197 WeakPolarHBondContact CA-O 3.37Å; V185-V198 HydrophobicContact CG1-CG2 4.36Å; V185-V198 HydrophobicContact CG2-CG1 4.31Å; V185-V198 HydrophobicContact CG2-CG2 4.29Å |
| 186 | R | 97.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 44.8 Ų | 44.8 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.6 | 169.3 | 173.6 | -171.9 | -65.9 | 156 | -0.3 | 108.1 | I87 V88 E89 V196 S197 F208 | I87-R186 HydrophobicContact CG2-CG 3.64Å; V88-R186 CarbonylContact O-C 3.48Å; V88-R186 VanDerWaalsContact O-CA 3.31Å; V88-R186 WeakPolarHBondContact O-CA 3.34Å; E89-R186 HydrophobicContact CG-CB 4.04Å; E89-R186 HydrophobicContact CG-CG 4.05Å; E89-R186 IonicContact OE1-CZ 3.9Å; E89-R186 IonicContact OE1-NE 3.23Å; E89-R186 PolarHBondContact OE1-NE 3.39Å; E89-R186 IonicContact OE1-NH2 2.84Å; E89-R186 PolarHBondContact OE1-NH2 2.96Å; R186-V196 CarbonylContact O-C 3.4Å; R186-V196 VanDerWaalsContact O-CA 3.3Å; R186-V196 WeakPolarHBondContact O-CA 3.34Å; R186-S197 WeakPolarHBondContact CB-OG 3.49Å; R186-S197 PolarHBondContact N-O 3.37Å; R186-S197 PolarHBondContact O-N 3.37Å; R186-F208 HydrophobicContact CB-CD1 3.99Å; R186-F208 HydrophobicContact CB-CE1 3.61Å; R186-F208 HydrophobicContact CB-CZ 4.03Å |
| 187 | V | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.4 | 172.8 | -172.6 | 0 | 0 | 0 | 0 | 107.5 | W86 I87 V88 F90 F107 I131 V185 L194 V196 | W86-V187 HydrophobicContact CH2-CB 4.48Å; W86-V187 HydrophobicContact CH2-CG1 3.65Å; W86-V187 HydrophobicContact CZ3-CB 3.94Å; W86-V187 HydrophobicContact CZ3-CG1 3.55Å; I87-V187 CarbonylContact C-O 3.58Å; I87-V187 VanDerWaalsContact CA-O 3.32Å; I87-V187 WeakPolarHBondContact CA-O 3.31Å; V88-V187 PolarHBondContact N-O 2.86Å; V88-V187 PolarHBondContact O-N 2.98Å; F90-V187 HydrophobicContact CE1-CG2 4.09Å; F107-V187 HydrophobicContact CD1-CG2 4.19Å; F107-V187 HydrophobicContact CE1-CB 4.39Å; F107-V187 HydrophobicContact CE1-CG1 4.07Å; F107-V187 HydrophobicContact CE1-CG2 4.24Å; I131-V187 HydrophobicContact CD1-CB 4.17Å; I131-V187 HydrophobicContact CD1-CG1 3.46Å; I131-V187 VanDerWaalsContact CD1-CG1 3.46Å; I131-V187 HydrophobicContact CD1-CG2 3.56Å; V185-V187 HydrophobicContact CG1-CG2 3.98Å; V187-L194 HydrophobicContact CG1-CD1 3.73Å; V187-V196 HydrophobicContact CG1-CG2 4.23Å; V187-V196 HydrophobicContact CG2-CG2 4.39Å |
| 188 | E | 97 | Very high | 95.5 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.9 | 178.6 | 173.3 | 176.1 | 162.8 | 0 | 0 | 109.2 | I87 L194 F195 R243 | I87-E188 HydrophobicContact CG1-CG 4.47Å; E188-L194 CarbonylContact O-C 3.56Å; E188-L194 WeakPolarHBondContact O-CA 3.35Å; E188-F195 HydrophobicContact CB-CB 4.29Å; E188-F195 HydrophobicContact CG-CD2 4.48Å; E188-F195 PolarHBondContact N-O 3.42Å; E188-F195 PolarHBondContact O-N 2.9Å; E188-R243 VanDerWaalsContact CD-NH1 3.33Å; E188-R243 IonicContact OE1-CZ 2.78Å; E188-R243 IonicContact OE1-NH1 2.77Å; E188-R243 PolarHBondContact OE1-NH1 3.01Å; E188-R243 IonicContact OE1-NH2 2.73Å; E188-R243 PolarHBondContact OE1-NH2 3.14Å; E188-R243 VanDerWaalsContact OE1-NH2 3.12Å; E188-R243 IonicContact OE2-CZ 3.41Å; E188-R243 IonicContact OE2-NH1 3.25Å; E188-R243 IonicContact OE2-NH2 2.73Å; E188-R243 PolarHBondContact OE2-NH2 2.84Å |
| 189 | Y | 96.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.6 | 173.8 | -178.3 | -108.1 | 0 | 0 | 0 | 109.9 | Q84 W85 W86 N192 N193 V217 L219 | Q84-Y189 WeakPolarHBondContact O-CD1 3.45Å; W85-Y189 VanDerWaalsContact CA-O 3.31Å; W85-Y189 WeakPolarHBondContact CA-O 3.39Å; W86-Y189 HydrophobicContact CZ2-CG 4.23Å; W86-Y189 PolarHBondContact N-O 3.45Å; W86-Y189 AromaticContact NE1-CD1 3.65Å; W86-Y189 PolarHBondContact O-N 2.87Å; Y189-N192 PolarHBondContact OH-OD1 2.74Å; Y189-N193 WeakPolarHBondContact CA-O 3.33Å; Y189-N193 WeakPolarHBondContact CD2-O 3.41Å; Y189-V217 HydrophobicContact CD2-CG1 4.46Å; Y189-V217 HydrophobicContact CE2-CB 4.1Å; Y189-V217 HydrophobicContact CE2-CG1 3.94Å; Y189-V217 WeakPolarHBondContact CE2-O 3.22Å; Y189-V217 PolarHBondContact OH-O 3.31Å; Y189-L219 HydrophobicContact CD1-CD1 3.73Å; Y189-L219 HydrophobicContact CD1-CG 4.45Å; Y189-L219 HydrophobicContact CD2-CD1 3.63Å; Y189-L219 HydrophobicContact CD2-CG 4.16Å; Y189-L219 HydrophobicContact CE1-CB 4.19Å; Y189-L219 HydrophobicContact CE1-CD1 3.8Å; Y189-L219 HydrophobicContact CE1-CG 4.02Å; Y189-L219 HydrophobicContact CE2-CD1 3.71Å; Y189-L219 HydrophobicContact CE2-CG 3.71Å; Y189-L219 HydrophobicContact CG-CD1 3.61Å; Y189-L219 HydrophobicContact CG-CG 4.49Å; Y189-L219 PolarHBondContact OH-N 2.77Å |
| 190 | R | 93.5 | Very high | 96 | Very high | 72 Ų | 72 | 39.4 Ų | 39.4 | 27% | 0.272 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 134.8 | -179.1 | 177.2 | -177.1 | 165.1 | -150.7 | -8.4 | 110 | F23 W85 N192 N193 | F23-R190 HydrophobicContact CE1-CG 4.46Å; F23-R190 VanDerWaalsContact CE2-NH2 3.25Å; W85-R190 HydrophobicContact CD2-CG 4.12Å; W85-R190 HydrophobicContact CG-CB 4.39Å; W85-R190 HydrophobicContact CG-CG 4.14Å; R190-N192 PolarHBondContact O-N 2.84Å; R190-N193 PolarHBondContact N-O 2.84Å; R190-N193 WeakPolarHBondContact O-CA 3.45Å; R190-N193 WeakPolarHBondContact O-CB 3.29Å; R190-N193 PolarHBondContact O-N 3.03Å |
| 191 | E | 91.2 | Very high | 96.1 | Very high | 81 Ų | 81 | 35.5 Ų | 35.5 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 43.4 | 173.6 | -67.5 | 166 | -154.1 | 0 | 0 | 112.7 | W85 N193 | W85-E191 HydrophobicContact CH2-CG 4.21Å; W85-E191 HydrophobicContact CZ2-CG 3.45Å; W85-E191 VanDerWaalsContact CZ2-CG 3.45Å; W85-E191 VanDerWaalsContact NE1-N 3.16Å; E191-N193 PolarHBondContact O-N 3.27Å; E191-N193 PolarHBondContact O-ND2 3.35Å |
| 192 | N | 95.5 | Very high | 96.2 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 35% | 0.348 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 18.1 | -176.3 | -47.6 | -38.1 | 0 | 0 | 0 | 115.1 | Y189 R190 N216 V217 F218 | Y189-N192 PolarHBondContact OH-OD1 2.74Å; R190-N192 PolarHBondContact O-N 2.84Å; N192-N216 PolarHBondContact O-N 2.94Å; N192-V217 WeakPolarHBondContact CA-O 3.47Å; N192-V217 WeakPolarHBondContact CB-O 3.46Å; N192-V217 PolarHBondContact O-N 3.34Å; N192-F218 HydrophobicContact CB-CE1 4.34Å |
| 193 | N | 97.4 | Very high | 96.4 | Very high | 49 Ų | 49 | 36.6 Ų | 36.6 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.4 | 171.6 | -61.4 | -82.1 | 0 | 0 | 0 | 109.5 | Y189 R190 E191 F195 A214 S215 | Y189-N193 WeakPolarHBondContact CA-O 3.33Å; Y189-N193 WeakPolarHBondContact CD2-O 3.41Å; R190-N193 PolarHBondContact N-O 2.84Å; R190-N193 WeakPolarHBondContact O-CA 3.45Å; R190-N193 WeakPolarHBondContact O-CB 3.29Å; R190-N193 PolarHBondContact O-N 3.03Å; E191-N193 PolarHBondContact O-N 3.27Å; E191-N193 PolarHBondContact O-ND2 3.35Å; N193-F195 HydrophobicContact CB-CD2 4.4Å; N193-F195 HydrophobicContact CB-CE2 3.54Å; N193-F195 HydrophobicContact CB-CZ 3.91Å; N193-A214 CarbonylContact C-O 3.24Å; N193-A214 WeakPolarHBondContact CA-O 3.35Å; N193-S215 VanDerWaalsContact OD1-CA 3.32Å; N193-S215 WeakPolarHBondContact OD1-CA 3.17Å; N193-S215 WeakPolarHBondContact OD1-CB 3.29Å |
| 194 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.4 | 174.4 | -178.4 | 68.8 | 0 | 0 | 0 | 109 | L129 A149 F169 V187 E188 V196 L212 S213 A214 V217 | L129-L194 HydrophobicContact CD1-CD2 3.92Å; L129-L194 HydrophobicContact CD2-CD1 3.86Å; L129-L194 HydrophobicContact CD2-CD2 4.09Å; A149-L194 HydrophobicContact CB-CD2 4.1Å; F169-L194 HydrophobicContact CE2-CD2 3.98Å; F169-L194 HydrophobicContact CZ-CD2 3.75Å; V187-L194 HydrophobicContact CG1-CD1 3.73Å; E188-L194 CarbonylContact O-C 3.56Å; E188-L194 WeakPolarHBondContact O-CA 3.35Å; L194-V196 HydrophobicContact CG-CG2 4.34Å; L194-L212 HydrophobicContact CD2-CD1 4.28Å; L194-S213 CarbonylContact O-C 3.5Å; L194-S213 WeakPolarHBondContact O-CA 3.32Å; L194-A214 PolarHBondContact N-O 2.88Å; L194-A214 PolarHBondContact O-N 2.9Å; L194-V217 HydrophobicContact CB-CB 4.38Å; L194-V217 HydrophobicContact CB-CG1 4.38Å; L194-V217 HydrophobicContact CB-CG2 3.98Å |
| 195 | F | 98.5 | Very high | 96 | Very high | 93 Ų | 93 | 43 Ų | 43 | 41% | 0.408 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.3 | 171.8 | -56.7 | -86.8 | 0 | 0 | 0 | 109 | E188 N193 | E188-F195 HydrophobicContact CB-CB 4.29Å; E188-F195 HydrophobicContact CG-CD2 4.48Å; E188-F195 PolarHBondContact N-O 3.42Å; E188-F195 PolarHBondContact O-N 2.9Å; N193-F195 HydrophobicContact CB-CD2 4.4Å; N193-F195 HydrophobicContact CB-CE2 3.54Å; N193-F195 HydrophobicContact CB-CZ 3.91Å |
| 196 | V | 98.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.2 | 174.7 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | I131 V185 R186 V187 L194 V198 C211 L212 | I131-V196 HydrophobicContact CD1-CG2 3.56Å; V185-V196 HydrophobicContact CG1-CG1 3.96Å; R186-V196 CarbonylContact O-C 3.4Å; R186-V196 VanDerWaalsContact O-CA 3.3Å; R186-V196 WeakPolarHBondContact O-CA 3.34Å; V187-V196 HydrophobicContact CG1-CG2 4.23Å; V187-V196 HydrophobicContact CG2-CG2 4.39Å; L194-V196 HydrophobicContact CG-CG2 4.34Å; V196-V198 HydrophobicContact CG1-CG2 4.24Å; V196-C211 HydrophobicContact CG1-CB 4.46Å; V196-C211 WeakPolarHBondContact O-CB 3.32Å; V196-C211 PolarHBondContact O-N 3.49Å; V196-L212 HydrophobicContact CB-CD1 3.65Å; V196-L212 HydrophobicContact CB-CG 3.79Å; V196-L212 HydrophobicContact CG1-CG 4.5Å; V196-L212 HydrophobicContact CG2-CD1 3.4Å; V196-L212 VanDerWaalsContact CG2-CD1 3.4Å; V196-L212 HydrophobicContact CG2-CG 4.04Å; V196-L212 PolarHBondContact N-O 3.33Å; V196-L212 PolarHBondContact O-N 2.82Å |
| 197 | S | 98.6 | Very high | 95.7 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 14% | 0.14 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.6 | 175.2 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | V185 R186 Q209 | V185-S197 CarbonylContact C-O 3.51Å; V185-S197 WeakPolarHBondContact CA-O 3.37Å; R186-S197 WeakPolarHBondContact CB-OG 3.49Å; R186-S197 PolarHBondContact N-O 3.37Å; R186-S197 PolarHBondContact O-N 3.37Å; S197-Q209 CarbonylContact C-O 3.58Å; S197-Q209 WeakPolarHBondContact CA-O 3.15Å; S197-Q209 WeakPolarHBondContact CB-O 3.22Å |
| 198 | V | 98.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.9 | -168.9 | -171.5 | 0 | 0 | 0 | 0 | 109.8 | I147 V183 K184 V185 V196 Q209 C211 | I147-V198 HydrophobicContact CD1-CB 4.48Å; I147-V198 HydrophobicContact CD1-CG1 4.2Å; I147-V198 HydrophobicContact CD1-CG2 3.77Å; V183-V198 HydrophobicContact CG1-CG1 3.54Å; K184-V198 WeakPolarHBondContact O-CA 3.4Å; V185-V198 HydrophobicContact CG1-CG2 4.36Å; V185-V198 HydrophobicContact CG2-CG1 4.31Å; V185-V198 HydrophobicContact CG2-CG2 4.29Å; V196-V198 HydrophobicContact CG1-CG2 4.24Å; V198-Q209 PolarHBondContact N-O 2.93Å; V198-Q209 PolarHBondContact O-N 3.12Å; V198-C211 HydrophobicContact CG2-CB 3.82Å |
| 199 | T | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | trans | -93.7 | 153.2 | 173.6 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | V183 K184 G201 S206 F208 | V183-T199 WeakPolarHBondContact CG1-O 3.27Å; K184-T199 HydrophobicContact CB-CG2 3.83Å; K184-T199 HydrophobicContact CD-CG2 4.36Å; K184-T199 HydrophobicContact CG-CG2 4.23Å; K184-T199 PolarHBondContact N-OG1 3.13Å; K184-T199 PolarHBondContact O-N 2.89Å; T199-G201 VanDerWaalsContact C-N 3.28Å; T199-G201 PolarHBondContact O-N 3.47Å; T199-S206 WeakPolarHBondContact CG2-O 3.12Å; T199-F208 HydrophobicContact CG2-CD1 4.01Å; T199-F208 HydrophobicContact CG2-CE1 4.15Å; T199-F208 HydrophobicContact CG2-CG 4.23Å | ||
| 200 | D | 95.7 | Very high | 95.8 | Very high | 40 Ų | 40 | 53.7 Ų | 53.7 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | trans | -72.3 | -13 | 176.7 | 64.6 | 16.9 | 0 | 0 | 0 | 115.2 | R179 L202 S206 | R179-D200 WeakPolarHBondContact CD-O 3.43Å; R179-D200 WeakPolarHBondContact CG-O 3.35Å; R179-D200 PolarHBondContact NE-O 3.31Å; D200-L202 HydrophobicContact CB-CD1 4.3Å; D200-L202 HydrophobicContact CB-CG 4.11Å; D200-L202 PolarHBondContact O-N 3Å; D200-L202 WeakPolarHBondContact OD1-CB 3.23Å; D200-L202 PolarHBondContact OD1-N 3.25Å; D200-S206 WeakPolarHBondContact OD1-CB 3.16Å; D200-S206 PolarHBondContact OD1-OG 3.24Å | ||
| 201 | G | 94.4 | Very high | 96 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 66.2 | 14 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P180 F181 T199 | P180-G201 VanDerWaalsContact CD-O 3.27Å; P180-G201 WeakPolarHBondContact CD-O 3.49Å; P180-G201 WeakPolarHBondContact CG-O 3.28Å; F181-G201 PolarHBondContact N-O 3.41Å; T199-G201 VanDerWaalsContact C-N 3.28Å; T199-G201 PolarHBondContact O-N 3.47Å |
| 202 | L | 95.1 | Very high | 96.3 | Very high | 96 Ų | 96 | 48 Ų | 48 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -82.6 | -22 | 179.6 | -63 | 179.8 | 0 | 0 | 0 | 113.1 | F181 D200 | F181-L202 WeakPolarHBondContact CD2-O 3.45Å; F181-L202 WeakPolarHBondContact CE2-O 3.33Å; D200-L202 HydrophobicContact CB-CD1 4.3Å; D200-L202 HydrophobicContact CB-CG 4.11Å; D200-L202 PolarHBondContact O-N 3Å; D200-L202 WeakPolarHBondContact OD1-CB 3.23Å; D200-L202 PolarHBondContact OD1-N 3.25Å |
| 203 | S | 95 | Very high | 96.5 | Very high | 45 Ų | 45 | 48.7 Ų | 48.7 | 32% | 0.315 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -139.5 | 158.9 | 175.8 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | F181 Q205 S206 | F181-S203 VanDerWaalsContact CD2-C 3.5Å; F181-S203 VanDerWaalsContact CD2-CA 3.42Å; S203-Q205 PolarHBondContact O-N 3.45Å; S203-S206 PolarHBondContact N-OG 2.98Å; S203-S206 PolarHBondContact O-N 2.96Å; S203-S206 PolarHBondContact O-OG 3.16Å; S203-S206 VanDerWaalsContact O-OG 3.1Å; S203-S206 WeakPolarHBondContact OG-CA 3.47Å; S203-S206 PolarHBondContact OG-N 2.89Å; S203-S206 PolarHBondContact OG-OG 3.19Å |
| 204 | P | 89.3 | Confident | 96.5 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25.7 | 176.3 | -7.2 | 16.7 | 0 | 0 | 0 | 113 | F181 K184 | F181-P204 HydrophobicContact CD1-CB 4.18Å; F181-P204 HydrophobicContact CD1-CG 3.82Å; F181-P204 HydrophobicContact CE1-CB 4.37Å; F181-P204 HydrophobicContact CE1-CG 3.55Å; F181-P204 HydrophobicContact CE2-CG 4.36Å; F181-P204 HydrophobicContact CG-CG 4.34Å; F181-P204 HydrophobicContact CZ-CG 3.84Å; K184-P204 PolarHBondContact NZ-O 3.1Å |
| 205 | Q | 92.6 | Very high | 96.5 | Very high | 150 Ų | 150 | 50.7 Ų | 50.7 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 16.6 | -178.3 | -62.3 | 76.7 | 22 | 0 | 0 | 113.1 | S203 | S203-Q205 PolarHBondContact O-N 3.45Š|
| 206 | S | 92.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 129.5 | -179.4 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | T199 D200 S203 | T199-S206 WeakPolarHBondContact CG2-O 3.12Å; D200-S206 WeakPolarHBondContact OD1-CB 3.16Å; D200-S206 PolarHBondContact OD1-OG 3.24Å; S203-S206 PolarHBondContact N-OG 2.98Å; S203-S206 PolarHBondContact O-N 2.96Å; S203-S206 PolarHBondContact O-OG 3.16Å; S203-S206 VanDerWaalsContact O-OG 3.1Å; S203-S206 WeakPolarHBondContact OG-CA 3.47Å; S203-S206 PolarHBondContact OG-N 2.89Å; S203-S206 PolarHBondContact OG-OG 3.19Å |
| 207 | P | 95.9 | Very high | 96.4 | Very high | 85 Ų | 85 | 52 Ų | 52 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 153 | -177 | 29.9 | -35 | 0 | 0 | 0 | 110.7 | Q209 | P207-Q209 PolarHBondContact O-N 2.8Š|
| 208 | F | 97.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 26% | 0.263 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 129.5 | 169.1 | -77.7 | -78.3 | 0 | 0 | 0 | 109.8 | K184 R186 T199 | K184-F208 HydrophobicContact CB-CE1 3.84Å; K184-F208 HydrophobicContact CB-CZ 3.76Å; R186-F208 HydrophobicContact CB-CD1 3.99Å; R186-F208 HydrophobicContact CB-CE1 3.61Å; R186-F208 HydrophobicContact CB-CZ 4.03Å; T199-F208 HydrophobicContact CG2-CD1 4.01Å; T199-F208 HydrophobicContact CG2-CE1 4.15Å; T199-F208 HydrophobicContact CG2-CG 4.23Å |
| 209 | Q | 97.9 | Very high | 96.3 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.2 | 173 | -62 | 176.9 | 3.2 | 0 | 0 | 109 | S197 V198 P207 C211 | S197-Q209 CarbonylContact C-O 3.58Å; S197-Q209 WeakPolarHBondContact CA-O 3.15Å; S197-Q209 WeakPolarHBondContact CB-O 3.22Å; V198-Q209 PolarHBondContact N-O 2.93Å; V198-Q209 PolarHBondContact O-N 3.12Å; P207-Q209 PolarHBondContact O-N 2.8Å; Q209-C211 PolarHBondContact O-N 2.83Å |
| 210 | A | 98.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 59.6 Ų | 59.6 | 84% | 0.843 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 129.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 211 | C | 98.5 | Very high | 96 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -63.9 | 177.5 | 164.9 | 0 | 0 | 0 | 0 | 109.5 | C172 V196 V198 Q209 | C172-C211 HydrophobicContact CB-CB 3.99Å; C172-C211 WeakPolarHBondContact CB-O 3.27Å; C172-C211 WeakPolarHBondContact CB-SG 3.38Å; C172-C211 VanDerWaalsContact SG-CA 3.52Å; C172-C211 WeakPolarHBondContact SG-CB 3.24Å; C172-C211 CovalentContact SG-SG 2.03Å; C172-C211 PolarHBondContact SG-SG 3.03Å; V196-C211 HydrophobicContact CG1-CB 4.46Å; V196-C211 WeakPolarHBondContact O-CB 3.32Å; V196-C211 PolarHBondContact O-N 3.49Å; V198-C211 HydrophobicContact CG2-CB 3.82Å; Q209-C211 PolarHBondContact O-N 2.83Å |
| 212 | L | 98.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 154.6 | 178.9 | 62.6 | 77.2 | 0 | 0 | 0 | 111.1 | I147 A149 A170 L194 V196 | I147-L212 HydrophobicContact CG2-CD2 4.31Å; A149-L212 HydrophobicContact CB-CD1 4.08Å; A149-L212 HydrophobicContact CB-CD2 3.98Å; A170-L212 HydrophobicContact CB-CB 3.99Å; A170-L212 HydrophobicContact CB-CD1 4.26Å; A170-L212 HydrophobicContact CB-CD2 4.5Å; A170-L212 HydrophobicContact CB-CG 4.47Å; L194-L212 HydrophobicContact CD2-CD1 4.28Å; V196-L212 HydrophobicContact CB-CD1 3.65Å; V196-L212 HydrophobicContact CB-CG 3.79Å; V196-L212 HydrophobicContact CG1-CG 4.5Å; V196-L212 HydrophobicContact CG2-CD1 3.4Å; V196-L212 VanDerWaalsContact CG2-CD1 3.4Å; V196-L212 HydrophobicContact CG2-CG 4.04Å; V196-L212 PolarHBondContact N-O 3.33Å; V196-L212 PolarHBondContact O-N 2.82Å |
| 213 | S | 98.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 145.2 | 174 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | L194 | L194-S213 CarbonylContact O-C 3.5Å; L194-S213 WeakPolarHBondContact O-CA 3.32Å |
| 214 | A | 98.2 | Very high | 96 | Very high | 18 Ų | 18 | 62 Ų | 62 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 143.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | F169 A170 N193 L194 V217 | F169-A214 HydrophobicContact CD2-CB 3.51Å; F169-A214 HydrophobicContact CE2-CB 3.42Å; F169-A214 VanDerWaalsContact CE2-CB 3.42Å; A170-A214 HydrophobicContact CB-CB 4.39Å; N193-A214 CarbonylContact C-O 3.24Å; N193-A214 WeakPolarHBondContact CA-O 3.35Å; L194-A214 PolarHBondContact N-O 2.88Å; L194-A214 PolarHBondContact O-N 2.9Å; A214-V217 HydrophobicContact CB-CG2 3.79Å |
| 215 | S | 97.6 | Very high | 96.4 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -99.8 | 166.6 | 170.8 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | N193 V217 | N193-S215 VanDerWaalsContact OD1-CA 3.32Å; N193-S215 WeakPolarHBondContact OD1-CA 3.17Å; N193-S215 WeakPolarHBondContact OD1-CB 3.29Å; S215-V217 VanDerWaalsContact C-N 3.26Å; S215-V217 PolarHBondContact O-N 3.32Å |
| 216 | N | 97.1 | Very high | 96.7 | Very high | 121 Ų | 121 | 52.2 Ų | 52.2 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 58.8 | 34.2 | -179.5 | -54.5 | -49.2 | 0 | 0 | 0 | 113.8 | N192 F218 | N192-N216 PolarHBondContact O-N 2.94Å; N216-F218 HydrophobicContact CB-CE2 4.23Å; N216-F218 WeakPolarHBondContact O-CD2 3.38Å; N216-F218 WeakPolarHBondContact O-CE2 3.31Å |
| 217 | V | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | trans | -87.1 | 111.6 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | L151 F169 Y189 N192 L194 A214 S215 L219 | L151-V217 HydrophobicContact CD1-CG1 4.14Å; L151-V217 HydrophobicContact CD2-CG1 4.15Å; L151-V217 HydrophobicContact CG-CG1 4.5Å; F169-V217 HydrophobicContact CE2-CG2 4.02Å; F169-V217 HydrophobicContact CZ-CG2 4.25Å; Y189-V217 HydrophobicContact CD2-CG1 4.46Å; Y189-V217 HydrophobicContact CE2-CB 4.1Å; Y189-V217 HydrophobicContact CE2-CG1 3.94Å; Y189-V217 WeakPolarHBondContact CE2-O 3.22Å; Y189-V217 PolarHBondContact OH-O 3.31Å; N192-V217 WeakPolarHBondContact CA-O 3.47Å; N192-V217 WeakPolarHBondContact CB-O 3.46Å; N192-V217 PolarHBondContact O-N 3.34Å; L194-V217 HydrophobicContact CB-CB 4.38Å; L194-V217 HydrophobicContact CB-CG1 4.38Å; L194-V217 HydrophobicContact CB-CG2 3.98Å; A214-V217 HydrophobicContact CB-CG2 3.79Å; S215-V217 VanDerWaalsContact C-N 3.26Å; S215-V217 PolarHBondContact O-N 3.32Å; V217-L219 HydrophobicContact CG1-CD2 3.76Å; V217-L219 HydrophobicContact CG1-CG 4.12Å | ||
| 218 | F | 97.4 | Very high | 97 | Very high | 134 Ų | 134 | 47.8 Ų | 47.8 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | trans | -103.1 | 115.3 | 178.4 | -62 | -79.4 | 0 | 0 | 0 | 110.1 | N192 N216 | N192-F218 HydrophobicContact CB-CE1 4.34Å; N216-F218 HydrophobicContact CB-CE2 4.23Å; N216-F218 WeakPolarHBondContact O-CD2 3.38Å; N216-F218 WeakPolarHBondContact O-CE2 3.31Å | ||
| 219 | L | 96.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 45 Ų | 45 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 152.5 | -178.1 | -59.7 | -172.9 | 0 | 0 | 0 | 111.7 | W86 Y109 L129 L151 Y189 V217 | W86-L219 HydrophobicContact CZ2-CD1 3.68Å; Y109-L219 HydrophobicContact CD1-CB 3.98Å; Y109-L219 HydrophobicContact CD1-CD1 3.77Å; Y109-L219 HydrophobicContact CD1-CG 4.34Å; Y109-L219 HydrophobicContact CE1-CB 3.81Å; Y109-L219 HydrophobicContact CE1-CD1 4.14Å; L129-L219 HydrophobicContact CB-CD2 3.56Å; L129-L219 HydrophobicContact CD2-CD1 4.34Å; L129-L219 HydrophobicContact CD2-CD2 4.39Å; L129-L219 HydrophobicContact CG-CD2 4.48Å; L151-L219 HydrophobicContact CD2-CD2 3.66Å; Y189-L219 HydrophobicContact CD1-CD1 3.73Å; Y189-L219 HydrophobicContact CD1-CG 4.45Å; Y189-L219 HydrophobicContact CD2-CD1 3.63Å; Y189-L219 HydrophobicContact CD2-CG 4.16Å; Y189-L219 HydrophobicContact CE1-CB 4.19Å; Y189-L219 HydrophobicContact CE1-CD1 3.8Å; Y189-L219 HydrophobicContact CE1-CG 4.02Å; Y189-L219 HydrophobicContact CE2-CD1 3.71Å; Y189-L219 HydrophobicContact CE2-CG 3.71Å; Y189-L219 HydrophobicContact CG-CD1 3.61Å; Y189-L219 HydrophobicContact CG-CG 4.49Å; Y189-L219 PolarHBondContact OH-N 2.77Å; V217-L219 HydrophobicContact CG1-CD2 3.76Å; V217-L219 HydrophobicContact CG1-CG 4.12Å |
| 220 | P | 95.1 | Very high | 96.6 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -60.8 | 140 | 174.9 | 24.2 | -33.2 | 0 | 0 | 0 | 111.5 | Y109 A111 | Y109-P220 HydrophobicContact CD1-CG 4.43Å; Y109-P220 HydrophobicContact CE1-CG 4.22Å; Y109-P220 VanDerWaalsContact CE1-O 3.28Å; Y109-P220 WeakPolarHBondContact CE1-O 3.23Å; Y109-P220 PolarHBondContact OH-O 3.45Å; A111-P220 HydrophobicContact CB-CB 3.75Å; A111-P220 HydrophobicContact CB-CG 4.09Å |
| 221 | V | 92.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 36.4 Ų | 36.4 | 62% | 0.618 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 140.2 | 172.3 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | G223 | V221-G223 VanDerWaalsContact C-N 3.34Å; V221-G223 PolarHBondContact O-N 3.2Å |
| 222 | N | 93 | Very high | 93.7 | Very high | 80 Ų | 80 | 35.7 Ų | 35.7 | 43% | 0.428 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 43.3 | -179.8 | -54.2 | -29.6 | 0 | 0 | 0 | 113.2 | P79 L80 I81 | P79-N222 HydrophobicContact CB-CB 4.13Å; P79-N222 WeakPolarHBondContact CB-O 3.48Å; L80-N222 WeakPolarHBondContact O-CA 3.37Å; L80-N222 PolarHBondContact O-OD1 3.38Å; I81-N222 HydrophobicContact CG2-CB 4.42Å |
| 223 | G | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -74.8 | 166.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P79 L80 Y109 T110 V221 | P79-G223 CarbonylContact C-O 3.52Å; P79-G223 WeakPolarHBondContact CA-O 2.93Å; L80-G223 PolarHBondContact N-O 3.42Å; Y109-G223 PolarHBondContact OH-N 2.89Å; Y109-G223 VanDerWaalsContact OH-N 3.08Å; T110-G223 CarbonylContact O-C 3.58Å; T110-G223 WeakPolarHBondContact O-CA 3.27Å; V221-G223 VanDerWaalsContact C-N 3.34Å; V221-G223 PolarHBondContact O-N 3.2Å | ||
| 224 | Y | 98 | Very high | 90.4 | Very high | 51 Ų | 51 | 32.8 Ų | 32.8 | 20% | 0.2 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.4 | 178.5 | -64.8 | -92.8 | 0 | 0 | 0 | 110.4 | N76 P79 Y109 T110 A111 K113 | N76-Y224 WeakPolarHBondContact O-CD1 3.42Å; P79-Y224 HydrophobicContact CB-CD1 4.43Å; P79-Y224 HydrophobicContact CB-CE1 4.02Å; P79-Y224 HydrophobicContact CB-CE2 4.15Å; P79-Y224 HydrophobicContact CG-CE1 4.28Å; Y109-Y224 VanDerWaalsContact CA-O 3.32Å; Y109-Y224 WeakPolarHBondContact CA-O 3.26Å; T110-Y224 PolarHBondContact N-O 2.95Å; T110-Y224 VanDerWaalsContact N-O 3.09Å; T110-Y224 PolarHBondContact O-N 3.44Å; A111-Y224 WeakPolarHBondContact O-CD2 3.49Å; A111-Y224 WeakPolarHBondContact O-CE2 3.27Å; K113-Y224 HydrophobicContact CD-CD1 4.01Å; K113-Y224 HydrophobicContact CD-CE1 4.23Å; K113-Y224 HydrophobicContact CG-CD1 3.71Å; K113-Y224 HydrophobicContact CG-CD2 4.26Å; K113-Y224 HydrophobicContact CG-CE1 4.2Å; K113-Y224 HydrophobicContact CG-CG 3.72Å |
| 225 | F | 98.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.8 | 168.3 | -65.7 | -61.6 | 0 | 0 | 0 | 110.7 | H31 W48 N76 L80 W86 V88 F107 W108 Y109 F238 | H31-F225 HydrophobicContact CB-CD2 4.17Å; H31-F225 HydrophobicContact CB-CE2 4.26Å; H31-F225 AromaticContact ND1-CD2 3.82Å; W48-F225 HydrophobicContact CH2-CB 4.31Å; N76-F225 HydrophobicContact CB-CB 4.29Å; N76-F225 PolarHBondContact N-O 3.5Å; L80-F225 HydrophobicContact CB-CE2 4.21Å; L80-F225 HydrophobicContact CD1-CE2 4.2Å; L80-F225 HydrophobicContact CD2-CE2 4.25Å; L80-F225 HydrophobicContact CD2-CZ 3.9Å; L80-F225 HydrophobicContact CG-CE2 4.45Å; W86-F225 HydrophobicContact CD2-CE1 4.1Å; W86-F225 HydrophobicContact CD2-CZ 4.13Å; W86-F225 HydrophobicContact CE3-CE1 4.08Å; W86-F225 HydrophobicContact CE3-CZ 4.33Å; W86-F225 HydrophobicContact CG-CZ 4.25Å; W86-F225 HydrophobicContact CH2-CE1 4.42Å; W86-F225 HydrophobicContact CZ2-CE1 4.43Å; W86-F225 HydrophobicContact CZ3-CE1 4.24Å; V88-F225 HydrophobicContact CG2-CD1 3.89Å; V88-F225 HydrophobicContact CG2-CE1 3.38Å; V88-F225 HydrophobicContact CG2-CE2 4.38Å; V88-F225 HydrophobicContact CG2-CZ 3.65Å; F107-F225 AromaticContact CE2-CD1 3.93Å; F107-F225 HydrophobicContact CE2-CD1 3.93Å; F107-F225 AromaticContact CZ-CD1 3.8Å; F107-F225 HydrophobicContact CZ-CD1 3.8Å; F107-F225 HydrophobicContact CZ-CE1 4.1Å; W108-F225 WeakPolarHBondContact O-CA 3.25Å; Y109-F225 AromaticContact CD2-CD1 3.73Å; Y109-F225 HydrophobicContact CD2-CD1 3.73Å; Y109-F225 AromaticContact CD2-CE1 3.44Å; Y109-F225 HydrophobicContact CD2-CE1 3.44Å; Y109-F225 VanDerWaalsContact CD2-CE1 3.44Å; Y109-F225 HydrophobicContact CD2-CZ 4.06Å; Y109-F225 HydrophobicContact CE2-CE1 4.06Å; Y109-F225 HydrophobicContact CE2-CZ 4.21Å; Y109-F225 HydrophobicContact CG-CE1 4.4Å; F225-F238 HydrophobicContact CB-CE1 4.29Å; F225-F238 HydrophobicContact CB-CZ 3.89Å; F225-F238 HydrophobicContact CD1-CZ 4.33Å; F225-F238 HydrophobicContact CG-CE1 4.41Å; F225-F238 HydrophobicContact CG-CZ 4.09Å |
| 226 | G | 97.9 | Very high | 87 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 157.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A74 W75 W108 | A74-G226 CarbonylContact O-C 3.57Å; A74-G226 VanDerWaalsContact O-CA 3.31Å; A74-G226 WeakPolarHBondContact O-CA 3.37Å; W75-G226 VanDerWaalsContact CE3-CA 3.43Å; W108-G226 PolarHBondContact N-O 2.91Å; W108-G226 PolarHBondContact O-N 3.5Å |
| 227 | L | 97.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 136.8 | 172.1 | -66.7 | 160.1 | 0 | 0 | 0 | 107.9 | F33 W48 L63 I73 A74 M105 A106 F107 L235 F238 | F33-L227 HydrophobicContact CE1-CD1 4.34Å; F33-L227 HydrophobicContact CZ-CD1 3.93Å; W48-L227 HydrophobicContact CH2-CD1 4.28Å; W48-L227 HydrophobicContact CZ3-CD1 4.18Å; L63-L227 HydrophobicContact CD1-CB 4.28Å; L63-L227 HydrophobicContact CD2-CB 4.23Å; I73-L227 CarbonylContact C-O 3.49Å; I73-L227 WeakPolarHBondContact CA-O 3.16Å; A74-L227 HydrophobicContact CB-CB 4.44Å; A74-L227 PolarHBondContact N-O 3.49Å; A74-L227 PolarHBondContact O-N 3.47Å; M105-L227 HydrophobicContact CE-CD2 4.43Å; A106-L227 WeakPolarHBondContact O-CA 3.36Å; F107-L227 HydrophobicContact CB-CD2 4.33Å; F107-L227 HydrophobicContact CD2-CD2 4.22Å; L227-L235 HydrophobicContact CB-CD1 3.97Å; L227-L235 HydrophobicContact CD1-CD1 3.29Å; L227-L235 HydrophobicContact CD1-CD2 4.43Å; L227-L235 HydrophobicContact CD1-CG 4.49Å; L227-L235 HydrophobicContact CD2-CD1 4.43Å; L227-L235 HydrophobicContact CG-CD1 4.07Å; L227-F238 HydrophobicContact CD1-CB 4.33Å; L227-F238 HydrophobicContact CD1-CD2 3.38Å; L227-F238 HydrophobicContact CD1-CE2 3.92Å; L227-F238 HydrophobicContact CD1-CG 4.1Å; L227-F238 HydrophobicContact CD2-CD2 4.12Å; L227-F238 HydrophobicContact CD2-CE2 4.1Å; L227-F238 HydrophobicContact CG-CD2 4.03Å; L227-F238 HydrophobicContact CG-CE2 4.07Å |
| 228 | S | 97.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156.4 | 174.5 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | G72 M105 A106 W108 F120 | G72-S228 CarbonylContact O-C 3.41Å; G72-S228 VanDerWaalsContact O-CA 3.31Å; G72-S228 WeakPolarHBondContact O-CA 3.35Å; M105-S228 CarbonylContact C-O 3.54Å; M105-S228 VanDerWaalsContact CA-O 3.23Å; M105-S228 WeakPolarHBondContact CA-O 3.48Å; M105-S228 VanDerWaalsContact CB-O 3.25Å; M105-S228 WeakPolarHBondContact CB-O 3.32Å; A106-S228 PolarHBondContact N-O 2.95Å; A106-S228 PolarHBondContact O-N 3.33Å; W108-S228 PolarHBondContact NE1-OG 3.32Å; F120-S228 CarbonylContact O-C 3.52Å; F120-S228 VanDerWaalsContact O-C 3.24Å; F120-S228 WeakPolarHBondContact O-CB 3.41Å; F120-S228 PolarHBondContact O-OG 3.35Å |
| 229 | A | 95.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 151.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L63 V64 G72 G104 M105 F120 | L63-A229 HydrophobicContact CB-CB 3.74Å; L63-A229 HydrophobicContact CD1-CB 3.8Å; L63-A229 HydrophobicContact CG-CB 4.45Å; V64-A229 HydrophobicContact CG1-CB 4.45Å; V64-A229 VanDerWaalsContact CG1-O 3.24Å; V64-A229 WeakPolarHBondContact CG1-O 3.44Å; V64-A229 HydrophobicContact CG2-CB 3.67Å; G72-A229 PolarHBondContact N-O 3.37Å; G72-A229 VanDerWaalsContact N-O 3.07Å; G72-A229 PolarHBondContact O-N 3.47Å; G104-A229 VanDerWaalsContact O-CA 3.3Å; G104-A229 WeakPolarHBondContact O-CA 3.33Å; M105-A229 HydrophobicContact CB-CB 3.8Å; F120-A229 CarbonylContact O-C 3.4Å; F120-A229 VanDerWaalsContact O-C 3.31Å; F120-A229 VanDerWaalsContact O-CA 3.24Å; F120-A229 WeakPolarHBondContact O-CA 3.37Å; F120-A229 PolarHBondContact O-N 3.09Å; F120-A229 VanDerWaalsContact O-N 3.09Å |
| 230 | A | 91.8 | Very high | 80.3 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 115.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | K70 N71 D103 G104 | K70-A230 CarbonylContact O-C 3.31Å; K70-A230 VanDerWaalsContact O-CA 3.32Å; K70-A230 WeakPolarHBondContact O-CA 3.08Å; N71-A230 VanDerWaalsContact OD1-CB 3.24Å; N71-A230 WeakPolarHBondContact OD1-CB 3.38Å; D103-A230 HydrophobicContact CB-CB 3.6Å; G104-A230 PolarHBondContact N-O 2.84Å; G104-A230 PolarHBondContact O-N 3.31Å |
| 231 | T | 75.7 | Confident | 78.9 | Confident | 22 Ų | 22 | 25 Ų | 25 | 14% | 0.135 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 56.4 | 95.6 | 178.9 | 53.8 | 0 | 0 | 0 | 0 | 116.7 | V67 K70 A102 | V67-T231 WeakPolarHBondContact O-CG2 3.15Å; K70-T231 PolarHBondContact O-N 2.83Å; A102-T231 VanDerWaalsContact CB-O 3.23Å; A102-T231 WeakPolarHBondContact CB-O 3.11Å; A102-T231 WeakPolarHBondContact CB-OG1 3.46Å |
| 232 | G | 59.6 | Low | 77.3 | Confident | 6 Ų | 6 | 20.2 Ų | 20.2 | 6% | 0.062 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 81.4 | 108.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | V64 P65 | V64-G232 VanDerWaalsContact CG2-C 3.45Å; P65-G232 PolarHBondContact O-N 2.94Å; P65-G232 VanDerWaalsContact O-N 3.17Å |
| 233 | G | 61.5 | Low | 76.1 | Confident | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.021 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 180 | 116.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L63 V64 | L63-G233 PolarHBondContact N-O 2.85Å; V64-G233 PolarHBondContact N-O 3.5Å; V64-G233 PolarHBondContact O-N 2.97Å |
| 234 | M | 65.6 | Low | 74.5 | Confident | 28 Ų | 28 | 19.6 Ų | 19.6 | 14% | 0.138 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.7 | 177.5 | -56.5 | -174.7 | -170.8 | 0 | 0 | 110.6 | L60 F92 Q93 Y236 | L60-M234 HydrophobicContact CD1-CB 4.44Å; F92-M234 CarbonylContact C-O 3.54Å; F92-M234 VanDerWaalsContact CA-O 3.25Å; F92-M234 WeakPolarHBondContact CA-O 3.37Å; F92-M234 WeakPolarHBondContact CB-O 3.44Å; Q93-M234 PolarHBondContact N-O 3.21Å; Q93-M234 WeakPolarHBondContact O-CB 3.32Å; Q93-M234 PolarHBondContact O-N 2.89Å; M234-Y236 HydrophobicContact CB-CE2 4.42Å |
| 235 | L | 66.4 | Low | 72.5 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.2 | 178.1 | -71.3 | 174.1 | 0 | 0 | 0 | 110.8 | F33 L60 L61 L63 F90 F92 M105 L227 | F33-L235 HydrophobicContact CZ-CD1 4.45Å; L60-L235 CarbonylContact C-O 3.43Å; L60-L235 WeakPolarHBondContact CA-O 3.27Å; L60-L235 VanDerWaalsContact CB-O 3.25Å; L60-L235 WeakPolarHBondContact CB-O 3.31Å; L61-L235 HydrophobicContact CB-CB 4.11Å; L61-L235 HydrophobicContact CD2-CD1 3.77Å; L61-L235 HydrophobicContact CG-CB 4.47Å; L61-L235 HydrophobicContact CG-CD1 4.21Å; L61-L235 PolarHBondContact N-O 3.46Å; L61-L235 WeakPolarHBondContact O-CA 3.39Å; L61-L235 WeakPolarHBondContact O-CB 3.33Å; L61-L235 PolarHBondContact O-N 2.83Å; L63-L235 HydrophobicContact CD1-CD1 3.59Å; L63-L235 HydrophobicContact CD1-CG 3.9Å; L63-L235 HydrophobicContact CD2-CD1 3.87Å; L63-L235 HydrophobicContact CG-CD1 3.61Å; L63-L235 HydrophobicContact CG-CG 4.05Å; F90-L235 HydrophobicContact CD2-CD2 4.41Å; F92-L235 HydrophobicContact CB-CD2 3.74Å; M105-L235 HydrophobicContact CE-CD2 3.87Å; L227-L235 HydrophobicContact CB-CD1 3.97Å; L227-L235 HydrophobicContact CD1-CD1 3.29Å; L227-L235 HydrophobicContact CD1-CD2 4.43Å; L227-L235 HydrophobicContact CD1-CG 4.49Å; L227-L235 HydrophobicContact CD2-CD1 4.43Å; L227-L235 HydrophobicContact CG-CD1 4.07Å |
| 236 | Y | 58 | Low | 70.5 | Confident | 64 Ų | 64 | 24.2 Ų | 24.2 | 25% | 0.251 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -22.9 | 179.7 | -69.4 | -92.4 | 0 | 0 | 0 | 112.8 | L60 S91 Q93 P182 M234 | L60-Y236 HydrophobicContact CB-CD1 4.33Å; L60-Y236 HydrophobicContact CD2-CD1 4.36Å; L60-Y236 HydrophobicContact CD2-CE1 3.8Å; S91-Y236 PolarHBondContact O-N 2.71Å; Q93-Y236 HydrophobicContact CB-CD2 4.3Å; Q93-Y236 HydrophobicContact CB-CE2 3.44Å; Q93-Y236 VanDerWaalsContact CB-CE2 3.44Å; Q93-Y236 PolarHBondContact OE1-OH 2.78Å; P182-Y236 HydrophobicContact CB-CD2 3.95Å; P182-Y236 HydrophobicContact CB-CE2 4.38Å; P182-Y236 HydrophobicContact CB-CG 4.39Å; P182-Y236 HydrophobicContact CG-CD1 4.39Å; P182-Y236 HydrophobicContact CG-CD2 3.86Å; P182-Y236 HydrophobicContact CG-CE2 4.02Å; P182-Y236 HydrophobicContact CG-CG 4.05Å; M234-Y236 HydrophobicContact CB-CE2 4.42Å |
| 237 | G | 59.8 | Low | 67.9 | Low | 10 Ų | 10 | 29.3 Ų | 29.3 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 154.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F90 S91 | F90-G237 CarbonylContact C-O 3.37Å; F90-G237 VanDerWaalsContact CA-O 3.27Å; F90-G237 WeakPolarHBondContact CA-O 3.37Å; F90-G237 WeakPolarHBondContact CB-O 3.49Å; S91-G237 PolarHBondContact N-O 2.8Å |
| 238 | F | 75.9 | Confident | 65.5 | Low | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 118.5 | 178 | -175.9 | -81.5 | 0 | 0 | 0 | 108.7 | H31 S32 F33 W48 V88 F90 F107 F225 L227 | H31-F238 WeakPolarHBondContact O-CD1 3.31Å; H31-F238 VanDerWaalsContact O-CE1 3.26Å; H31-F238 WeakPolarHBondContact O-CE1 3.21Å; S32-F238 CarbonylContact C-O 3.49Å; S32-F238 VanDerWaalsContact CA-O 3.28Å; S32-F238 WeakPolarHBondContact CA-O 3.41Å; F33-F238 CarbonylContact C-O 3.52Å; F33-F238 HydrophobicContact CD1-CB 3.99Å; F33-F238 HydrophobicContact CD2-CB 4.02Å; F33-F238 HydrophobicContact CE1-CB 3.54Å; F33-F238 HydrophobicContact CE1-CG 4.14Å; F33-F238 HydrophobicContact CE2-CB 3.6Å; F33-F238 HydrophobicContact CG-CB 4.22Å; F33-F238 HydrophobicContact CZ-CB 3.34Å; F33-F238 HydrophobicContact CZ-CG 4.25Å; F33-F238 PolarHBondContact N-O 3.49Å; F33-F238 CarbonylContact O-C 3.49Å; F33-F238 PolarHBondContact O-N 3.14Å; W48-F238 AromaticContact CH2-CD1 3.73Å; W48-F238 HydrophobicContact CH2-CD1 3.73Å; W48-F238 HydrophobicContact CH2-CD2 4.21Å; W48-F238 AromaticContact CH2-CE1 3.67Å; W48-F238 HydrophobicContact CH2-CE1 3.67Å; W48-F238 HydrophobicContact CH2-CE2 4.12Å; W48-F238 HydrophobicContact CH2-CG 4Å; W48-F238 AromaticContact CH2-CZ 3.86Å; W48-F238 HydrophobicContact CH2-CZ 3.86Å; W48-F238 AromaticContact CZ2-CD1 3.46Å; W48-F238 HydrophobicContact CZ2-CD1 3.46Å; W48-F238 VanDerWaalsContact CZ2-CD1 3.46Å; W48-F238 AromaticContact CZ2-CE1 3.58Å; W48-F238 HydrophobicContact CZ2-CE1 3.58Å; W48-F238 HydrophobicContact CZ2-CG 4.07Å; W48-F238 HydrophobicContact CZ2-CZ 4.25Å; V88-F238 HydrophobicContact CB-CZ 4.42Å; V88-F238 HydrophobicContact CG1-CD2 4.16Å; V88-F238 HydrophobicContact CG1-CE1 3.95Å; V88-F238 HydrophobicContact CG1-CE2 3.47Å; V88-F238 VanDerWaalsContact CG1-CE2 3.47Å; V88-F238 HydrophobicContact CG1-CZ 3.34Å; V88-F238 HydrophobicContact CG2-CZ 4.16Å; F90-F238 HydrophobicContact CB-CB 4.38Å; F90-F238 HydrophobicContact CB-CD2 3.69Å; F90-F238 HydrophobicContact CB-CE2 4.44Å; F90-F238 HydrophobicContact CB-CG 4.36Å; F90-F238 HydrophobicContact CD1-CD2 4.48Å; F90-F238 HydrophobicContact CD1-CE2 4.45Å; F90-F238 HydrophobicContact CG-CD2 4.35Å; F107-F238 AromaticContact CD2-CE2 3.87Å; F107-F238 HydrophobicContact CD2-CE2 3.87Å; F107-F238 HydrophobicContact CD2-CZ 4.41Å; F107-F238 AromaticContact CE2-CE2 3.77Å; F107-F238 HydrophobicContact CE2-CE2 3.77Å; F107-F238 AromaticContact CE2-CZ 3.84Å; F107-F238 HydrophobicContact CE2-CZ 3.84Å; F225-F238 HydrophobicContact CB-CE1 4.29Å; F225-F238 HydrophobicContact CB-CZ 3.89Å; F225-F238 HydrophobicContact CD1-CZ 4.33Å; F225-F238 HydrophobicContact CG-CE1 4.41Å; F225-F238 HydrophobicContact CG-CZ 4.09Å; L227-F238 HydrophobicContact CD1-CB 4.33Å; L227-F238 HydrophobicContact CD1-CD2 3.38Å; L227-F238 HydrophobicContact CD1-CE2 3.92Å; L227-F238 HydrophobicContact CD1-CG 4.1Å; L227-F238 HydrophobicContact CD2-CD2 4.12Å; L227-F238 HydrophobicContact CD2-CE2 4.1Å; L227-F238 HydrophobicContact CG-CD2 4.03Å; L227-F238 HydrophobicContact CG-CE2 4.07Å |
| 239 | R | 58.8 | Low | 63 | Low | 122 Ų | 122 | 42.2 Ų | 42.2 | 46% | 0.46 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.5 | -177.7 | -64.4 | 179.1 | 178.7 | 174 | -1.5 | 108.8 | Y27 V88 E89 | Y27-R239 HydrophobicContact CE2-CB 4.5Å; V88-R239 CarbonylContact C-O 3.59Å; V88-R239 WeakPolarHBondContact CA-O 3.42Å; E89-R239 PolarHBondContact N-O 2.86Å; E89-R239 PolarHBondContact O-N 2.78Å |
| 240 | S | 54 | Low | 60.5 | Low | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.6 | 175.1 | 57.9 | 0 | 0 | 0 | 0 | 110.6 | L28 H31 S32 I87 | L28-S240 PolarHBondContact N-O 2.88Å; L28-S240 PolarHBondContact O-OG 3.2Å; H31-S240 WeakPolarHBondContact CB-OG 3.36Å; H31-S240 PolarHBondContact O-OG 3.45Å; S32-S240 PolarHBondContact OG-N 3.16Å; S32-S240 PolarHBondContact OG-OG 3.42Å; I87-S240 CarbonylContact O-C 3.54Å; I87-S240 WeakPolarHBondContact O-CA 3.33Å |
| 241 | H | 64.7 | Low | 58.2 | Low | 37 Ų | 37 | 55.2 Ų | 55.2 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.9 | -179.9 | -53.3 | 86.4 | 0 | 0 | 0 | 108 | K26 Y27 W86 I87 | K26-H241 CarbonylContact O-C 3.58Å; K26-H241 VanDerWaalsContact O-CA 3.24Å; K26-H241 WeakPolarHBondContact O-CA 3.31Å; Y27-H241 AromaticContact CD2-CD2 3.94Å; Y27-H241 AromaticContact CD2-NE2 3.76Å; W86-H241 CarbonylContact C-O 3.58Å; W86-H241 VanDerWaalsContact CA-O 3.27Å; W86-H241 WeakPolarHBondContact CA-O 3.33Å; I87-H241 HydrophobicContact CB-CB 4.41Å; I87-H241 PolarHBondContact N-O 2.98Å; I87-H241 PolarHBondContact O-N 3.31Å |
| 242 | S | 60.1 | Low | 57.2 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 141.7 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | Q25 K26 | Q25-S242 CarbonylContact C-O 3.57Å; Q25-S242 WeakPolarHBondContact CA-O 3.48Å; K26-S242 PolarHBondContact N-O 3.48Å; K26-S242 PolarHBondContact O-N 3.23Å; K26-S242 PolarHBondContact O-OG 3.09Å |
| 243 | R | 65.9 | Low | 57.4 | Low | 28 Ų | 28 | 60.2 Ų | 60.2 | 11% | 0.106 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.5 | 163.9 | -71.9 | -174.6 | -178.9 | -169.9 | 7.2 | 107.9 | F23 Q25 S83 W85 I87 E188 | F23-R243 HydrophobicContact CD1-CB 4.44Å; Q25-R243 HydrophobicContact CG-CG 4.04Å; S83-R243 PolarHBondContact OG-O 2.83Å; W85-R243 HydrophobicContact CB-CB 4Å; W85-R243 PolarHBondContact O-N 3.46Å; I87-R243 HydrophobicContact CD1-CG 4.44Å; I87-R243 HydrophobicContact CG1-CG 4.22Å; E188-R243 VanDerWaalsContact CD-NH1 3.33Å; E188-R243 IonicContact OE1-CZ 2.78Å; E188-R243 IonicContact OE1-NH1 2.77Å; E188-R243 PolarHBondContact OE1-NH1 3.01Å; E188-R243 IonicContact OE1-NH2 2.73Å; E188-R243 PolarHBondContact OE1-NH2 3.14Å; E188-R243 VanDerWaalsContact OE1-NH2 3.12Å; E188-R243 IonicContact OE2-CZ 3.41Å; E188-R243 IonicContact OE2-NH1 3.25Å; E188-R243 IonicContact OE2-NH2 2.73Å; E188-R243 PolarHBondContact OE2-NH2 2.84Å |
| 244 | I | 61.9 | Low | 57.9 | Low | 40 Ų | 40 | 66.1 Ų | 66.1 | 21% | 0.205 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.4 | 174.9 | -59.5 | 171.4 | 0 | 0 | 0 | 107.1 | V24 K26 Y246 | V24-I244 PolarHBondContact N-O 3.37Å; V24-I244 PolarHBondContact O-N 3.39Å; K26-I244 HydrophobicContact CB-CD1 4.34Å; K26-I244 HydrophobicContact CD-CD1 4.21Å; I244-Y246 HydrophobicContact CB-CE2 4.28Å; I244-Y246 HydrophobicContact CG2-CD2 4.36Å; I244-Y246 HydrophobicContact CG2-CE1 4.07Å; I244-Y246 HydrophobicContact CG2-CE2 3.85Å |
| 245 | C | 55.4 | Low | 58.5 | Low | 32 Ų | 32 | 69.6 Ų | 69.6 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129 | 166.9 | -101.9 | 0 | 0 | 0 | 0 | 111.1 | Q21 F23 W85 | Q21-C245 HydrophobicContact CG-CB 4.14Å; Q21-C245 WeakPolarHBondContact CG-SG 3.43Å; Q21-C245 VanDerWaalsContact NE2-CB 3.31Å; Q21-C245 PolarHBondContact NE2-SG 3.37Å; F23-C245 WeakPolarHBondContact CD1-SG 3.39Å; F23-C245 WeakPolarHBondContact CE1-SG 3.46Å; F23-C245 WeakPolarHBondContact CE2-SG 3.28Å; F23-C245 VanDerWaalsContact CG-SG 3.51Å; F23-C245 WeakPolarHBondContact CZ-SG 3.34Å; W85-C245 HydrophobicContact CH2-CB 4.37Å; W85-C245 HydrophobicContact CZ3-CB 3.68Å; W85-C245 WeakPolarHBondContact CZ3-SG 3.34Å |
| 246 | Y | 56.1 | Low | 58.9 | Low | 116 Ų | 116 | 74.5 Ų | 74.5 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.2 | 161.7 | -60.9 | -78.8 | 0 | 0 | 0 | 108 | K22 V24 I244 A248 | K22-Y246 PolarHBondContact O-N 3.45Å; V24-Y246 HydrophobicContact CB-CD2 4.06Å; V24-Y246 HydrophobicContact CB-CE2 3.78Å; V24-Y246 HydrophobicContact CG1-CE2 4.35Å; V24-Y246 HydrophobicContact CG2-CD2 3.62Å; V24-Y246 HydrophobicContact CG2-CE2 3.73Å; I244-Y246 HydrophobicContact CB-CE2 4.28Å; I244-Y246 HydrophobicContact CG2-CD2 4.36Å; I244-Y246 HydrophobicContact CG2-CE1 4.07Å; I244-Y246 HydrophobicContact CG2-CE2 3.85Å; Y246-A248 PolarHBondContact O-N 3.17Å |
| 247 | N | 44 | Very low | 59.5 | Low | 107 Ų | 107 | 78.5 Ų | 78.5 | 57% | 0.572 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 118.8 | 156.1 | -78.9 | -19.4 | 0 | 0 | 0 | 106.4 | K249 T250 | N247-K249 PolarHBondContact O-N 3.21Å; N247-T250 PolarHBondContact O-N 3.26Å; N247-T250 PolarHBondContact O-OG1 3.1Å |
| 248 | A | 48 | Very low | 60.4 | Low | 75 Ų | 75 | 83.7 Ų | 83.7 | 62% | 0.62 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -11.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y246 T250 | Y246-A248 PolarHBondContact O-N 3.17Å; A248-T250 VanDerWaalsContact C-N 3.29Å; A248-T250 PolarHBondContact O-N 3.28Å |
| 249 | K | 43.2 | Very low | 60.8 | Low | 197 Ų | 197 | 88.8 Ų | 88.8 | 86% | 0.857 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.6 | 172.5 | -66.1 | -169.3 | 178.6 | -177.1 | 0 | 114.8 | N247 Q251 | N247-K249 PolarHBondContact O-N 3.21Å; K249-Q251 PolarHBondContact O-N 3.17Å |
| 250 | T | 44.3 | Very low | 61.6 | Low | 100 Ų | 100 | 88.2 Ų | 88.2 | 61% | 0.613 | 43% | 0.429 | S | S | * | . | trans | -80.5 | 68.5 | 161.6 | 42.8 | 0 | 0 | 0 | 0 | 108.9 | N247 A248 I252 | N247-T250 PolarHBondContact O-N 3.26Å; N247-T250 PolarHBondContact O-OG1 3.1Å; A248-T250 VanDerWaalsContact C-N 3.29Å; A248-T250 PolarHBondContact O-N 3.28Å; T250-I252 PolarHBondContact O-N 2.88Å | ||
| 251 | Q | 44.3 | Very low | 62.8 | Low | 172 Ų | 172 | 92.2 Ų | 92.2 | 80% | 0.804 | 45% | 0.449 | S | S | * | . | trans | -63.1 | 89.2 | 151.1 | -69.3 | -167.5 | 9 | 0 | 0 | 105.2 | K249 T253 | K249-Q251 PolarHBondContact O-N 3.17Å; Q251-T253 PolarHBondContact O-N 3.24Å | ||
| 252 | I | 54.5 | Low | 63.9 | Low | 59 Ų | 59 | 94.7 Ų | 94.7 | 30% | 0.303 | 46% | 0.461 | S | S | . | . | trans | -50.2 | 114.3 | 163.7 | -63.1 | 178.1 | 0 | 0 | 0 | 104.1 | T250 Q256 R257 | T250-I252 PolarHBondContact O-N 2.88Å; I252-Q256 HydrophobicContact CG2-CB 3.36Å; I252-R257 HydrophobicContact CG2-CB 3.94Å; I252-R257 VanDerWaalsContact CG2-N 3.28Å | ||
| 253 | T | 63.2 | Low | 65.1 | Low | 74 Ų | 74 | 98.6 Ų | 98.6 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | trans | -55.5 | 149 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 108 | Q251 E255 Q256 R257 | Q251-T253 PolarHBondContact O-N 3.24Å; T253-E255 CarbonylContact O-C 3.52Å; T253-E255 PolarHBondContact O-N 2.9Å; T253-Q256 PolarHBondContact O-N 3.07Å; T253-Q256 WeakPolarHBondContact OG1-CG 3.42Å; T253-Q256 PolarHBondContact OG1-N 2.85Å; T253-R257 PolarHBondContact O-N 3.31Å | ||
| 254 | D | 72.8 | Confident | 65.8 | Low | 126 Ų | 126 | 102.8 Ų | 102.8 | 67% | 0.674 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -52.3 | -29.2 | 178.2 | -70.2 | -37.3 | 0 | 0 | 0 | 111.5 | R258 | D254-R258 WeakPolarHBondContact O-CB 3.36Å; D254-R258 PolarHBondContact O-N 3.48Å |
| 255 | E | 77.9 | Confident | 66.8 | Low | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 171.9 | -161.9 | -167.1 | 157.3 | 0 | 0 | 114.1 | T253 R257 R258 K259 | T253-E255 CarbonylContact O-C 3.52Å; T253-E255 PolarHBondContact O-N 2.9Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.49Å; E255-R258 PolarHBondContact O-N 3.07Å; E255-K259 WeakPolarHBondContact O-CG 3.4Å; E255-K259 PolarHBondContact O-N 3Å; E255-K259 WeakPolarHBondContact OE1-CE 3.32Å; E255-K259 IonicContact OE1-NZ 2.74Å; E255-K259 PolarHBondContact OE1-NZ 2.8Å |
| 256 | Q | 74.2 | Confident | 68.4 | Low | 103 Ų | 103 | 110 Ų | 110 | 48% | 0.481 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 175.7 | -76.4 | 175.1 | -19.2 | 0 | 0 | 111.2 | I252 T253 R258 K259 Q260 | I252-Q256 HydrophobicContact CG2-CB 3.36Å; T253-Q256 PolarHBondContact O-N 3.07Å; T253-Q256 WeakPolarHBondContact OG1-CG 3.42Å; T253-Q256 PolarHBondContact OG1-N 2.85Å; Q256-R258 VanDerWaalsContact C-N 3.34Å; Q256-K259 PolarHBondContact O-N 3.45Å; Q256-Q260 WeakPolarHBondContact O-CG 3.28Å; Q256-Q260 PolarHBondContact O-N 3.45Å |
| 257 | R | 70.7 | Confident | 69.7 | Low | 148 Ų | 148 | 109.7 Ų | 109.7 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | 175.3 | -173 | -175.8 | -60.5 | 169.3 | 7.6 | 110.6 | I252 T253 E255 Q260 L261 | I252-R257 HydrophobicContact CG2-CB 3.94Å; I252-R257 VanDerWaalsContact CG2-N 3.28Å; T253-R257 PolarHBondContact O-N 3.31Å; E255-R257 VanDerWaalsContact C-N 3.3Å; E255-R257 PolarHBondContact O-N 3.49Å; R257-Q260 PolarHBondContact O-N 2.74Å; R257-L261 WeakPolarHBondContact O-CB 3.38Å; R257-L261 PolarHBondContact O-N 3.43Å |
| 258 | R | 77.8 | Confident | 71.4 | Confident | 120 Ų | 120 | 107.3 Ų | 107.3 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 174.4 | -178.1 | 179.5 | 63.2 | 89.4 | -1.6 | 111.6 | D254 E255 Q256 Q260 L261 E262 | D254-R258 WeakPolarHBondContact O-CB 3.36Å; D254-R258 PolarHBondContact O-N 3.48Å; E255-R258 PolarHBondContact O-N 3.07Å; Q256-R258 VanDerWaalsContact C-N 3.34Å; R258-Q260 VanDerWaalsContact C-N 3.33Å; R258-Q260 PolarHBondContact O-N 3.45Å; R258-L261 PolarHBondContact O-N 3.44Å; R258-E262 WeakPolarHBondContact CD-OE1 3.16Å; R258-E262 HydrophobicContact CG-CG 4.3Å; R258-E262 VanDerWaalsContact CG-OE1 3.27Å; R258-E262 WeakPolarHBondContact CG-OE1 3.19Å; R258-E262 IonicContact CZ-OE1 3.81Å; R258-E262 IonicContact NE-OE1 2.73Å; R258-E262 IonicContact NH1-OE1 3.17Å; R258-E262 PolarHBondContact NH1-OE1 3.02Å; R258-E262 IonicContact NH1-OE2 3.65Å; R258-E262 PolarHBondContact NH1-OE2 3.29Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.31Å; R258-E262 PolarHBondContact O-N 3.48Å |
| 259 | K | 85.4 | Confident | 73.2 | Confident | 107 Ų | 107 | 110.3 Ų | 110.3 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.5 | -74.6 | 176.4 | -176.6 | 166.7 | 0 | 112.3 | E255 Q256 E262 E263 | E255-K259 WeakPolarHBondContact O-CG 3.4Å; E255-K259 PolarHBondContact O-N 3Å; E255-K259 WeakPolarHBondContact OE1-CE 3.32Å; E255-K259 IonicContact OE1-NZ 2.74Å; E255-K259 PolarHBondContact OE1-NZ 2.8Å; Q256-K259 PolarHBondContact O-N 3.45Å; K259-E262 PolarHBondContact O-N 2.88Å; K259-E263 WeakPolarHBondContact O-CB 3.35Å; K259-E263 PolarHBondContact O-N 3.03Å |
| 260 | Q | 75.4 | Confident | 75.3 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 175.8 | -73.7 | 177.7 | -15.4 | 0 | 0 | 112.2 | Q256 R257 R258 F264 | Q256-Q260 WeakPolarHBondContact O-CG 3.28Å; Q256-Q260 PolarHBondContact O-N 3.45Å; R257-Q260 PolarHBondContact O-N 2.74Å; R258-Q260 VanDerWaalsContact C-N 3.33Å; R258-Q260 PolarHBondContact O-N 3.45Å; Q260-F264 VanDerWaalsContact O-CB 3.3Å; Q260-F264 WeakPolarHBondContact O-CB 3.22Å; Q260-F264 PolarHBondContact O-N 3.5Å |
| 261 | L | 78.3 | Confident | 77.1 | Confident | 85 Ų | 85 | 108.1 Ų | 108.1 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 175.8 | -172.5 | 66.8 | 0 | 0 | 0 | 111.3 | R257 R258 E263 F264 E265 | R257-L261 WeakPolarHBondContact O-CB 3.38Å; R257-L261 PolarHBondContact O-N 3.43Å; R258-L261 PolarHBondContact O-N 3.44Å; L261-E263 PolarHBondContact O-N 2.98Å; L261-F264 WeakPolarHBondContact O-CB 3.48Å; L261-F264 PolarHBondContact O-N 3.4Å; L261-E265 WeakPolarHBondContact O-CB 3Å; L261-E265 WeakPolarHBondContact O-CG 3.41Å; L261-E265 PolarHBondContact O-N 3Å |
| 262 | E | 88.2 | Confident | 78.8 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 175.3 | -74.3 | 170.5 | -177.4 | 0 | 0 | 111.7 | R258 K259 E265 R266 | R258-E262 WeakPolarHBondContact CD-OE1 3.16Å; R258-E262 HydrophobicContact CG-CG 4.3Å; R258-E262 VanDerWaalsContact CG-OE1 3.27Å; R258-E262 WeakPolarHBondContact CG-OE1 3.19Å; R258-E262 IonicContact CZ-OE1 3.81Å; R258-E262 IonicContact NE-OE1 2.73Å; R258-E262 IonicContact NH1-OE1 3.17Å; R258-E262 PolarHBondContact NH1-OE1 3.02Å; R258-E262 IonicContact NH1-OE2 3.65Å; R258-E262 PolarHBondContact NH1-OE2 3.29Å; R258-E262 WeakPolarHBondContact O-CB 3.45Å; R258-E262 WeakPolarHBondContact O-CG 3.31Å; R258-E262 PolarHBondContact O-N 3.48Å; K259-E262 PolarHBondContact O-N 2.88Å; E262-E265 PolarHBondContact O-N 3.37Å; E262-R266 WeakPolarHBondContact O-CB 3.33Å; E262-R266 PolarHBondContact O-N 3.29Å |
| 263 | E | 85.4 | Confident | 80.3 | Confident | 83 Ų | 83 | 105.5 Ų | 105.5 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.7 | -174 | -176.3 | 165.5 | 0 | 0 | 111.6 | K259 L261 R266 K267 | K259-E263 WeakPolarHBondContact O-CB 3.35Å; K259-E263 PolarHBondContact O-N 3.03Å; L261-E263 PolarHBondContact O-N 2.98Å; E263-R266 PolarHBondContact O-N 3.16Å; E263-K267 WeakPolarHBondContact O-CG 3.4Å; E263-K267 PolarHBondContact O-N 2.85Å; E263-K267 WeakPolarHBondContact OE1-CE 3.36Å; E263-K267 IonicContact OE1-NZ 3.12Å; E263-K267 PolarHBondContact OE1-NZ 3.26Å |
| 264 | F | 80.5 | Confident | 81.1 | Confident | 116 Ų | 116 | 104.6 Ų | 104.6 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 175.6 | 177.3 | -99.8 | 0 | 0 | 0 | 111.3 | Q260 L261 R266 K267 V268 | Q260-F264 VanDerWaalsContact O-CB 3.3Å; Q260-F264 WeakPolarHBondContact O-CB 3.22Å; Q260-F264 PolarHBondContact O-N 3.5Å; L261-F264 WeakPolarHBondContact O-CB 3.48Å; L261-F264 PolarHBondContact O-N 3.4Å; F264-R266 VanDerWaalsContact C-N 3.31Å; F264-R266 PolarHBondContact O-N 2.9Å; F264-K267 PolarHBondContact O-N 2.95Å; F264-V268 HydrophobicContact CD1-CG2 4.35Å; F264-V268 HydrophobicContact CE1-CG2 3.97Å; F264-V268 HydrophobicContact CE2-CG2 4.39Å; F264-V268 HydrophobicContact CZ-CG2 3.99Å; F264-V268 WeakPolarHBondContact O-CG2 3.27Å; F264-V268 PolarHBondContact O-N 3.39Å |
| 265 | E | 83.1 | Confident | 81.4 | Confident | 86 Ų | 86 | 103.9 Ų | 103.9 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 176.7 | -73.8 | 179.4 | -178.6 | 0 | 0 | 112.2 | L261 E262 V268 K269 | L261-E265 WeakPolarHBondContact O-CB 3Å; L261-E265 WeakPolarHBondContact O-CG 3.41Å; L261-E265 PolarHBondContact O-N 3Å; E262-E265 PolarHBondContact O-N 3.37Å; E265-V268 PolarHBondContact O-N 3.5Å; E265-K269 PolarHBondContact O-N 2.88Å |
| 266 | R | 88 | Confident | 81.5 | Confident | 137 Ų | 137 | 105.4 Ų | 105.4 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 174.2 | -171.8 | -176.5 | 69.7 | -147.7 | -4.9 | 111.5 | E262 E263 F264 V268 K269 E270 | E262-R266 WeakPolarHBondContact O-CB 3.33Å; E262-R266 PolarHBondContact O-N 3.29Å; E263-R266 PolarHBondContact O-N 3.16Å; F264-R266 VanDerWaalsContact C-N 3.31Å; F264-R266 PolarHBondContact O-N 2.9Å; R266-V268 VanDerWaalsContact C-N 3.31Å; R266-V268 PolarHBondContact O-N 3.11Å; R266-K269 PolarHBondContact O-N 3.23Å; R266-E270 IonicContact NE-OE1 2.68Å; R266-E270 WeakPolarHBondContact O-CG 3.22Å; R266-E270 PolarHBondContact O-N 3.35Å |
| 267 | K | 84.2 | Confident | 81.9 | Confident | 110 Ų | 110 | 106.6 Ų | 106.6 | 48% | 0.478 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 178.3 | -75.5 | -179.3 | -176.5 | 165.3 | 0 | 112.6 | E263 F264 E270 F271 | E263-K267 WeakPolarHBondContact O-CG 3.4Å; E263-K267 PolarHBondContact O-N 2.85Å; E263-K267 WeakPolarHBondContact OE1-CE 3.36Å; E263-K267 IonicContact OE1-NZ 3.12Å; E263-K267 PolarHBondContact OE1-NZ 3.26Å; F264-K267 PolarHBondContact O-N 2.95Å; K267-E270 PolarHBondContact O-N 3.36Å; K267-F271 WeakPolarHBondContact O-CB 3.09Å; K267-F271 PolarHBondContact O-N 3.44Å |
| 268 | V | 79.1 | Confident | 82.2 | Confident | 56 Ų | 56 | 105.1 Ų | 105.1 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | F264 E265 R266 E270 F271 E272 | F264-V268 HydrophobicContact CD1-CG2 4.35Å; F264-V268 HydrophobicContact CE1-CG2 3.97Å; F264-V268 HydrophobicContact CE2-CG2 4.39Å; F264-V268 HydrophobicContact CZ-CG2 3.99Å; F264-V268 WeakPolarHBondContact O-CG2 3.27Å; F264-V268 PolarHBondContact O-N 3.39Å; E265-V268 PolarHBondContact O-N 3.5Å; R266-V268 VanDerWaalsContact C-N 3.31Å; R266-V268 PolarHBondContact O-N 3.11Å; V268-E270 PolarHBondContact O-N 2.83Å; V268-F271 WeakPolarHBondContact O-CB 3.41Å; V268-F271 PolarHBondContact O-N 3.46Å; V268-E272 WeakPolarHBondContact O-CG 3.15Å; V268-E272 PolarHBondContact O-N 2.64Å |
| 269 | K | 87.6 | Confident | 82.2 | Confident | 138 Ų | 138 | 104.4 Ų | 104.4 | 60% | 0.6 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 176.1 | -74 | 178.9 | 179.6 | 176.6 | 0 | 112.7 | E265 R266 F271 E272 T273 | E265-K269 PolarHBondContact O-N 2.88Å; R266-K269 PolarHBondContact O-N 3.23Å; K269-F271 VanDerWaalsContact C-N 3.31Å; K269-F271 PolarHBondContact O-N 2.88Å; K269-E272 PolarHBondContact O-N 3.42Å; K269-T273 WeakPolarHBondContact O-CB 3.08Å; K269-T273 PolarHBondContact O-N 3.25Å; K269-T273 PolarHBondContact O-OG1 2.85Å |
| 270 | E | 87.1 | Confident | 81.9 | Confident | 106 Ų | 106 | 102.9 Ų | 102.9 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 175.8 | -75.2 | 168.9 | -172.7 | 0 | 0 | 111.3 | R266 K267 V268 T273 A274 | R266-E270 IonicContact NE-OE1 2.68Å; R266-E270 WeakPolarHBondContact O-CG 3.22Å; R266-E270 PolarHBondContact O-N 3.35Å; K267-E270 PolarHBondContact O-N 3.36Å; V268-E270 PolarHBondContact O-N 2.83Å; E270-T273 PolarHBondContact O-N 2.72Å; E270-A274 VanDerWaalsContact O-CB 3.27Å; E270-A274 WeakPolarHBondContact O-CB 3.32Å; E270-A274 PolarHBondContact O-N 3.41Å |
| 271 | F | 81.6 | Confident | 82.3 | Confident | 146 Ų | 146 | 104.4 Ų | 104.4 | 64% | 0.64 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 176.3 | 179.3 | -101 | 0 | 0 | 0 | 112.4 | K267 V268 K269 A274 K275 | K267-F271 WeakPolarHBondContact O-CB 3.09Å; K267-F271 PolarHBondContact O-N 3.44Å; V268-F271 WeakPolarHBondContact O-CB 3.41Å; V268-F271 PolarHBondContact O-N 3.46Å; K269-F271 VanDerWaalsContact C-N 3.31Å; K269-F271 PolarHBondContact O-N 2.88Å; F271-A274 PolarHBondContact O-N 3.39Å; F271-K275 WeakPolarHBondContact O-CB 3.32Å; F271-K275 PolarHBondContact O-N 3.48Å |
| 272 | E | 78.9 | Confident | 82.4 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 176 | -72 | 179.6 | 161.5 | 0 | 0 | 111.6 | V268 K269 A274 K275 E276 | V268-E272 WeakPolarHBondContact O-CG 3.15Å; V268-E272 PolarHBondContact O-N 2.64Å; K269-E272 PolarHBondContact O-N 3.42Å; E272-A274 PolarHBondContact O-N 3.09Å; E272-K275 WeakPolarHBondContact O-CB 3.37Å; E272-K275 PolarHBondContact O-N 2.73Å; E272-E276 WeakPolarHBondContact O-CG 3.32Å; E272-E276 PolarHBondContact O-N 2.74Å |
| 273 | T | 86.5 | Confident | 81.3 | Confident | 67 Ų | 67 | 104.3 Ų | 104.3 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 177.8 | -43.4 | 0 | 0 | 0 | 0 | 111.2 | K269 E270 K275 E276 K277 | K269-T273 WeakPolarHBondContact O-CB 3.08Å; K269-T273 PolarHBondContact O-N 3.25Å; K269-T273 PolarHBondContact O-OG1 2.85Å; E270-T273 PolarHBondContact O-N 2.72Å; T273-K275 VanDerWaalsContact C-N 3.34Å; T273-E276 PolarHBondContact O-N 2.77Å; T273-K277 WeakPolarHBondContact O-CB 3.46Å; T273-K277 WeakPolarHBondContact O-CG 3.17Å; T273-K277 PolarHBondContact O-N 3.01Å |
| 274 | A | 81.3 | Confident | 79.9 | Confident | 55 Ų | 55 | 108.1 Ų | 108.1 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E270 F271 E272 K277 F278 | E270-A274 VanDerWaalsContact O-CB 3.27Å; E270-A274 WeakPolarHBondContact O-CB 3.32Å; E270-A274 PolarHBondContact O-N 3.41Å; F271-A274 PolarHBondContact O-N 3.39Å; E272-A274 PolarHBondContact O-N 3.09Å; A274-K277 PolarHBondContact O-N 3.18Å; A274-F278 VanDerWaalsContact O-CB 3.26Å; A274-F278 WeakPolarHBondContact O-CB 3.42Å; A274-F278 PolarHBondContact O-N 3.02Å |
| 275 | K | 78.4 | Confident | 78.7 | Confident | 112 Ų | 112 | 103.8 Ų | 103.8 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.9 | -173.5 | 178 | -176.9 | 175.3 | 0 | 111.8 | F271 E272 T273 K279 | F271-K275 WeakPolarHBondContact O-CB 3.32Å; F271-K275 PolarHBondContact O-N 3.48Å; E272-K275 WeakPolarHBondContact O-CB 3.37Å; E272-K275 PolarHBondContact O-N 2.73Å; T273-K275 VanDerWaalsContact C-N 3.34Å; K275-K279 VanDerWaalsContact O-CG 3.31Å; K275-K279 WeakPolarHBondContact O-CG 3.46Å; K275-K279 PolarHBondContact O-N 2.85Å; K275-K279 VanDerWaalsContact O-N 3.09Å |
| 276 | E | 79.6 | Confident | 76.9 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.3 | -45.4 | 175.4 | -73.6 | -179.5 | 171.2 | 0 | 0 | 112.4 | E272 T273 F278 K279 A280 | E272-E276 WeakPolarHBondContact O-CG 3.32Å; E272-E276 PolarHBondContact O-N 2.74Å; T273-E276 PolarHBondContact O-N 2.77Å; E276-F278 VanDerWaalsContact C-N 3.34Å; E276-F278 PolarHBondContact O-N 2.9Å; E276-K279 WeakPolarHBondContact O-CB 3.3Å; E276-K279 PolarHBondContact O-N 2.88Å; E276-A280 PolarHBondContact O-N 2.92Å |
| 277 | K | 83.6 | Confident | 74.6 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.8 | -45.6 | 174 | -77.8 | -178.8 | 176.7 | -174.6 | 0 | 111.7 | T273 A274 K279 A280 E281 | T273-K277 WeakPolarHBondContact O-CB 3.46Å; T273-K277 WeakPolarHBondContact O-CG 3.17Å; T273-K277 PolarHBondContact O-N 3.01Å; A274-K277 PolarHBondContact O-N 3.18Å; K277-K279 VanDerWaalsContact C-N 3.29Å; K277-K279 PolarHBondContact O-N 2.73Å; K277-A280 PolarHBondContact O-N 2.83Å; K277-E281 WeakPolarHBondContact O-CB 3.42Å; K277-E281 WeakPolarHBondContact O-CG 3.34Å; K277-E281 PolarHBondContact O-N 3.08Å |
| 278 | F | 77.3 | Confident | 72.3 | Confident | 118 Ų | 118 | 111.9 Ų | 111.9 | 52% | 0.518 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.3 | -43.9 | 176 | -176.3 | -96.9 | 0 | 0 | 0 | 111.4 | A274 E276 A280 H282 | A274-F278 VanDerWaalsContact O-CB 3.26Å; A274-F278 WeakPolarHBondContact O-CB 3.42Å; A274-F278 PolarHBondContact O-N 3.02Å; E276-F278 VanDerWaalsContact C-N 3.34Å; E276-F278 PolarHBondContact O-N 2.9Å; F278-A280 VanDerWaalsContact C-N 3.34Å; F278-A280 PolarHBondContact O-N 2.82Å; F278-H282 AromaticContact CD2-CE1 3.65Å; F278-H282 AromaticContact CD2-ND1 3.65Å; F278-H282 AromaticContact CE2-CE1 3.52Å; F278-H282 AromaticContact CE2-ND1 3.69Å; F278-H282 AromaticContact CE2-NE2 3.98Å; F278-H282 WeakPolarHBondContact O-CB 3.49Å; F278-H282 PolarHBondContact O-N 3.44Å; F278-H282 PolarHBondContact O-ND1 3.34Å |
| 279 | K | 77.4 | Confident | 70.4 | Confident | 104 Ų | 104 | 111.9 Ų | 111.9 | 45% | 0.452 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 174.5 | -74.7 | 176.3 | 175.4 | -167.4 | 0 | 113.7 | K275 E276 K277 H282 | K275-K279 VanDerWaalsContact O-CG 3.31Å; K275-K279 WeakPolarHBondContact O-CG 3.46Å; K275-K279 PolarHBondContact O-N 2.85Å; K275-K279 VanDerWaalsContact O-N 3.09Å; E276-K279 WeakPolarHBondContact O-CB 3.3Å; E276-K279 PolarHBondContact O-N 2.88Å; K277-K279 VanDerWaalsContact C-N 3.29Å; K277-K279 PolarHBondContact O-N 2.73Å; K279-H282 CarbonylContact O-C 3.54Å |
| 280 | A | 79.4 | Confident | 67.9 | Low | 76 Ų | 76 | 107.8 Ų | 107.8 | 63% | 0.628 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.9 | -37.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E276 K277 F278 H282 P283 | E276-A280 PolarHBondContact O-N 2.92Å; K277-A280 PolarHBondContact O-N 2.83Å; F278-A280 VanDerWaalsContact C-N 3.34Å; F278-A280 PolarHBondContact O-N 2.82Å; A280-H282 VanDerWaalsContact C-N 3.32Å; A280-P283 WeakPolarHBondContact O-CD 3.46Å |
| 281 | E | 82.1 | Confident | 65.5 | Low | 141 Ų | 141 | 106.9 Ų | 106.9 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.9 | -25.7 | 176.1 | -71.6 | 173.3 | -176.8 | 0 | 0 | 112.2 | K277 P283 | K277-E281 WeakPolarHBondContact O-CB 3.42Å; K277-E281 WeakPolarHBondContact O-CG 3.34Å; K277-E281 PolarHBondContact O-N 3.08Å; E281-P283 WeakPolarHBondContact O-CD 3.49Å |
| 282 | H | 81.4 | Confident | 63.2 | Low | 81 Ų | 81 | 104.4 Ų | 104.4 | 38% | 0.375 | 54% | 0.537 | S | S | . | . | trans | -115.5 | 64.4 | 177.5 | -53.4 | 77.1 | 0 | 0 | 0 | 111.1 | F278 K279 A280 Q284 A285 | F278-H282 AromaticContact CD2-CE1 3.65Å; F278-H282 AromaticContact CD2-ND1 3.65Å; F278-H282 AromaticContact CE2-CE1 3.52Å; F278-H282 AromaticContact CE2-ND1 3.69Å; F278-H282 AromaticContact CE2-NE2 3.98Å; F278-H282 WeakPolarHBondContact O-CB 3.49Å; F278-H282 PolarHBondContact O-N 3.44Å; F278-H282 PolarHBondContact O-ND1 3.34Å; K279-H282 CarbonylContact O-C 3.54Å; A280-H282 VanDerWaalsContact C-N 3.32Å; H282-Q284 VanDerWaalsContact C-N 3.26Å; H282-Q284 PolarHBondContact O-N 3.15Å; H282-A285 HydrophobicContact CB-CB 3.73Å; H282-A285 WeakPolarHBondContact O-CB 3.36Å; H282-A285 PolarHBondContact O-N 3.46Å; H282-A285 VanDerWaalsContact O-N 3.09Å | ||
| 283 | P | 65.2 | Low | 61.2 | Low | 90 Ų | 90 | 103.7 Ų | 103.7 | 58% | 0.584 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -29.9 | -179.9 | 26.8 | -31.8 | 0 | 0 | 0 | 112.1 | A280 E281 A285 K286 | A280-P283 WeakPolarHBondContact O-CD 3.46Å; E281-P283 WeakPolarHBondContact O-CD 3.49Å; P283-A285 VanDerWaalsContact C-N 3.27Å; P283-A285 PolarHBondContact O-N 2.88Å; P283-K286 PolarHBondContact O-N 2.86Å |
| 284 | Q | 55.9 | Low | 58.9 | Low | 163 Ų | 163 | 103.4 Ų | 103.4 | 76% | 0.762 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.3 | 174.3 | -66 | -174.6 | -7 | 0 | 0 | 113.2 | H282 K286 H287 E288 | H282-Q284 VanDerWaalsContact C-N 3.26Å; H282-Q284 PolarHBondContact O-N 3.15Å; Q284-K286 PolarHBondContact O-N 2.86Å; Q284-H287 PolarHBondContact O-N 2.89Å; Q284-E288 PolarHBondContact O-N 2.7Å |
| 285 | A | 54.3 | Low | 56.6 | Low | 26 Ų | 26 | 104.5 Ų | 104.5 | 22% | 0.215 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -59.6 | -29.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | H282 P283 H287 I289 | H282-A285 HydrophobicContact CB-CB 3.73Å; H282-A285 WeakPolarHBondContact O-CB 3.36Å; H282-A285 PolarHBondContact O-N 3.46Å; H282-A285 VanDerWaalsContact O-N 3.09Å; P283-A285 VanDerWaalsContact C-N 3.27Å; P283-A285 PolarHBondContact O-N 2.88Å; A285-H287 PolarHBondContact O-N 2.76Å; A285-I289 HydrophobicContact CB-CD1 3.67Å; A285-I289 HydrophobicContact CB-CG1 4.14Å; A285-I289 VanDerWaalsContact O-CA 3.27Å; A285-I289 WeakPolarHBondContact O-CA 3.25Å; A285-I289 WeakPolarHBondContact O-CB 3.2Å; A285-I289 WeakPolarHBondContact O-CG1 3.25Å; A285-I289 PolarHBondContact O-N 2.72Å |
| 286 | K | 46.6 | Very low | 54.3 | Low | 158 Ų | 158 | 101.4 Ų | 101.4 | 69% | 0.687 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -15.7 | 173.6 | -81.5 | -175.4 | 173.3 | -177.9 | 0 | 115.7 | P283 Q284 | P283-K286 PolarHBondContact O-N 2.86Å; Q284-K286 PolarHBondContact O-N 2.86Å |
| 287 | H | 40.4 | Very low | 52.3 | Low | 171 Ų | 171 | 98.1 Ų | 98.1 | 79% | 0.792 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -106.9 | -14 | -175.8 | -151.2 | -64.5 | 0 | 0 | 0 | 113.5 | Q284 A285 | Q284-H287 PolarHBondContact O-N 2.89Å; A285-H287 PolarHBondContact O-N 2.76Å |
| 288 | E | 35.7 | Very low | 50.2 | Low | 173 Ų | 173 | 99.7 Ų | 99.7 | 81% | 0.808 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -113.5 | -23.1 | 169.9 | -72.6 | -178.6 | 169.3 | 0 | 0 | 112.9 | Q284 S290 | Q284-E288 PolarHBondContact O-N 2.7Å; E288-S290 PolarHBondContact O-N 2.95Å |
| 289 | I | 38.1 | Very low | 48.3 | Very low | 57 Ų | 57 | 99.6 Ų | 99.6 | 29% | 0.292 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -79.9 | 73.4 | 157.8 | -50.4 | -178.3 | 0 | 0 | 0 | 105.4 | A285 E293 E294 | A285-I289 HydrophobicContact CB-CD1 3.67Å; A285-I289 HydrophobicContact CB-CG1 4.14Å; A285-I289 VanDerWaalsContact O-CA 3.27Å; A285-I289 WeakPolarHBondContact O-CA 3.25Å; A285-I289 WeakPolarHBondContact O-CB 3.2Å; A285-I289 WeakPolarHBondContact O-CG1 3.25Å; A285-I289 PolarHBondContact O-N 2.72Å; I289-E293 HydrophobicContact CB-CB 4.36Å; I289-E293 HydrophobicContact CG2-CB 3.34Å; I289-E293 HydrophobicContact CG2-CG 4.48Å; I289-E294 HydrophobicContact CG2-CG 4.38Å |
| 290 | S | 34.7 | Very low | 46.6 | Very low | 52 Ų | 52 | 100.9 Ų | 100.9 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | trans | -48.2 | 158.6 | 168.3 | 66.8 | 0 | 0 | 0 | 0 | 109.8 | E288 D292 E293 | E288-S290 PolarHBondContact O-N 2.95Å; S290-D292 PolarHBondContact O-N 3.36Å; S290-E293 PolarHBondContact O-N 3.32Å | ||
| 291 | S | 37.2 | Very low | 44.9 | Very low | 87 Ų | 87 | 100.7 Ų | 100.7 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -41.4 | -26 | 173 | 45.3 | 0 | 0 | 0 | 0 | 114 | E293 D295 | S291-E293 PolarHBondContact O-N 3.46Å; S291-D295 WeakPolarHBondContact O-CB 3.3Å; S291-D295 VanDerWaalsContact O-CG 3.29Å; S291-D295 PolarHBondContact O-N 3.09Å |
| 292 | D | 32.7 | Very low | 43.5 | Very low | 94 Ų | 94 | 96.4 Ų | 96.4 | 50% | 0.503 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.8 | -27.9 | 179.4 | -57.8 | -13.8 | 0 | 0 | 0 | 113.2 | S290 D295 E296 | S290-D292 PolarHBondContact O-N 3.36Å; D292-D295 CarbonylContact O-C 3.42Å; D292-E296 WeakPolarHBondContact O-CB 3.49Å; D292-E296 VanDerWaalsContact O-CG 3.23Å; D292-E296 WeakPolarHBondContact O-CG 3.47Å; D292-E296 PolarHBondContact O-N 2.96Å |
| 293 | E | 38.1 | Very low | 42 | Very low | 93 Ų | 93 | 98.3 Ų | 98.3 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -95.7 | -28.6 | 179.6 | -78.9 | -172.4 | -168.9 | 0 | 0 | 114.2 | I289 S290 S291 E296 S297 | I289-E293 HydrophobicContact CB-CB 4.36Å; I289-E293 HydrophobicContact CG2-CB 3.34Å; I289-E293 HydrophobicContact CG2-CG 4.48Å; S290-E293 PolarHBondContact O-N 3.32Å; S291-E293 PolarHBondContact O-N 3.46Å; E293-E296 PolarHBondContact O-N 3.06Å; E293-S297 WeakPolarHBondContact O-CB 3.44Å; E293-S297 PolarHBondContact O-N 3.34Å; E293-S297 PolarHBondContact O-OG 3.12Å |
| 294 | E | 37.1 | Very low | 41.3 | Very low | 61 Ų | 61 | 95.8 Ų | 95.8 | 29% | 0.285 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -32.6 | 161.8 | -82.3 | -155.3 | -171.9 | 0 | 0 | 110.5 | I289 S297 R298 | I289-E294 HydrophobicContact CG2-CG 4.38Å; E294-S297 PolarHBondContact O-OG 3.01Å; E294-R298 VanDerWaalsContact O-CB 3.23Å; E294-R298 WeakPolarHBondContact O-CB 3.36Å; E294-R298 WeakPolarHBondContact O-CG 3.21Å; E294-R298 PolarHBondContact O-N 2.94Å; E294-R298 IonicContact OE2-CZ 3.95Å; E294-R298 IonicContact OE2-NH2 3.38Å; E294-R298 PolarHBondContact OE2-NH2 2.91Å |
| 295 | D | 32.8 | Very low | 41.3 | Very low | 78 Ų | 78 | 91.6 Ų | 91.6 | 42% | 0.417 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.1 | -35.6 | 167.1 | -80 | -26.6 | 0 | 0 | 0 | 111.8 | S291 D292 Q299 | S291-D295 WeakPolarHBondContact O-CB 3.3Å; S291-D295 VanDerWaalsContact O-CG 3.29Å; S291-D295 PolarHBondContact O-N 3.09Å; D292-D295 CarbonylContact O-C 3.42Å; D295-Q299 WeakPolarHBondContact O-CA 3.24Å; D295-Q299 WeakPolarHBondContact O-CB 3.13Å; D295-Q299 VanDerWaalsContact O-CD 3.27Å; D295-Q299 WeakPolarHBondContact O-CG 3.31Å; D295-Q299 PolarHBondContact O-N 3.24Å |
| 296 | E | 29.9 | Very low | 41.7 | Very low | 46 Ų | 46 | 97 Ų | 97 | 22% | 0.215 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 172.7 | -79.1 | 168.7 | -140.5 | 0 | 0 | 112.3 | R41 D292 E293 R298 Q299 E300 | R41-E296 VanDerWaalsContact CZ-CD 3.44Å; R41-E296 IonicContact CZ-OE1 2.7Å; R41-E296 IonicContact NE-OE1 2.72Å; R41-E296 PolarHBondContact NE-OE1 3.29Å; R41-E296 IonicContact NH1-OE1 3.12Å; R41-E296 PolarHBondContact NH1-OE1 2.93Å; R41-E296 IonicContact NH2-OE1 2.69Å; R41-E296 PolarHBondContact NH2-OE1 2.69Å; D292-E296 WeakPolarHBondContact O-CB 3.49Å; D292-E296 VanDerWaalsContact O-CG 3.23Å; D292-E296 WeakPolarHBondContact O-CG 3.47Å; D292-E296 PolarHBondContact O-N 2.96Å; E293-E296 PolarHBondContact O-N 3.06Å; E296-R298 VanDerWaalsContact C-N 3.34Å; E296-R298 PolarHBondContact O-N 2.61Å; E296-Q299 CarbonylContact O-C 3.52Å; E296-Q299 WeakPolarHBondContact O-CA 3.3Å; E296-Q299 PolarHBondContact O-N 2.83Å; E296-Q299 VanDerWaalsContact O-N 3.14Å; E296-E300 WeakPolarHBondContact O-CA 3.47Å; E296-E300 WeakPolarHBondContact O-CB 3.46Å; E296-E300 WeakPolarHBondContact O-CG 3.24Å; E296-E300 PolarHBondContact O-N 2.77Å |
| 297 | S | 38.1 | Very low | 42.4 | Very low | 64 Ų | 64 | 95.5 Ų | 95.5 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.9 | -29 | 178.8 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | E293 E294 | E293-S297 WeakPolarHBondContact O-CB 3.44Å; E293-S297 PolarHBondContact O-N 3.34Å; E293-S297 PolarHBondContact O-OG 3.12Å; E294-S297 PolarHBondContact O-OG 3.01Å |
| 298 | R | 40.1 | Very low | 43.4 | Very low | 161 Ų | 161 | 93.1 Ų | 93.1 | 61% | 0.608 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -80.5 | -26.7 | 169.5 | -68.5 | 177.2 | -165.2 | -178.7 | 10.9 | 112.6 | E294 E296 E300 | E294-R298 VanDerWaalsContact O-CB 3.23Å; E294-R298 WeakPolarHBondContact O-CB 3.36Å; E294-R298 WeakPolarHBondContact O-CG 3.21Å; E294-R298 PolarHBondContact O-N 2.94Å; E294-R298 IonicContact OE2-CZ 3.95Å; E294-R298 IonicContact OE2-NH2 3.38Å; E294-R298 PolarHBondContact OE2-NH2 2.91Å; E296-R298 VanDerWaalsContact C-N 3.34Å; E296-R298 PolarHBondContact O-N 2.61Å; R298-E300 VanDerWaalsContact C-N 3.35Å |
| 299 | Q | 36.2 | Very low | 45.1 | Very low | 116 Ų | 116 | 89.4 Ų | 89.4 | 54% | 0.542 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -78.3 | -21.1 | 169.3 | -72.6 | 168.3 | 26.5 | 0 | 0 | 112 | D295 E296 E301 | D295-Q299 WeakPolarHBondContact O-CA 3.24Å; D295-Q299 WeakPolarHBondContact O-CB 3.13Å; D295-Q299 VanDerWaalsContact O-CD 3.27Å; D295-Q299 WeakPolarHBondContact O-CG 3.31Å; D295-Q299 PolarHBondContact O-N 3.24Å; E296-Q299 CarbonylContact O-C 3.52Å; E296-Q299 WeakPolarHBondContact O-CA 3.3Å; E296-Q299 PolarHBondContact O-N 2.83Å; E296-Q299 VanDerWaalsContact O-N 3.14Å; Q299-E301 VanDerWaalsContact C-N 3.32Å |
| 300 | E | 42.3 | Very low | 46.6 | Very low | 131 Ų | 131 | 90.2 Ų | 90.2 | 61% | 0.612 | 45% | 0.448 | S | S | * | . | trans | -83.8 | -3.5 | 174.5 | -81.5 | -178.2 | 170.5 | 0 | 0 | 112.7 | E296 R298 D302 | E296-E300 WeakPolarHBondContact O-CA 3.47Å; E296-E300 WeakPolarHBondContact O-CB 3.46Å; E296-E300 WeakPolarHBondContact O-CG 3.24Å; E296-E300 PolarHBondContact O-N 2.77Å; R298-E300 VanDerWaalsContact C-N 3.35Å; E300-D302 PolarHBondContact O-N 2.74Å | ||
| 301 | E | 43.2 | Very low | 48.2 | Very low | 72 Ų | 72 | 91.2 Ų | 91.2 | 34% | 0.336 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -62.8 | 90.6 | 159 | -80.9 | -168 | 160 | 0 | 0 | 108.4 | Q299 Q303 R309 | Q299-E301 VanDerWaalsContact C-N 3.32Å; E301-Q303 PolarHBondContact O-N 2.79Å; E301-R309 IonicContact OE1-CZ 3.54Å; E301-R309 IonicContact OE1-NH1 2.81Å; E301-R309 PolarHBondContact OE1-NH1 2.81Å; E301-R309 IonicContact OE2-CZ 3.66Å; E301-R309 IonicContact OE2-NH1 3.51Å; E301-R309 PolarHBondContact OE2-NH1 2.67Å; E301-R309 IonicContact OE2-NH2 2.73Å |
| 302 | D | 52.6 | Low | 49.9 | Very low | 51 Ų | 51 | 91.5 Ų | 91.5 | 27% | 0.273 | 44% | 0.443 | S | S | . | . | trans | -39.4 | 130.2 | 171.5 | 178.8 | -17.8 | 0 | 0 | 0 | 108.7 | Y34 E300 S304 V305 R306 | Y34-D302 PolarHBondContact OH-OD1 3.1Å; E300-D302 PolarHBondContact O-N 2.74Å; D302-S304 PolarHBondContact O-N 2.8Å; D302-S304 PolarHBondContact OD1-N 2.92Å; D302-S304 PolarHBondContact OD1-OG 2.98Å; D302-S304 PolarHBondContact OD2-OG 2.83Å; D302-S304 VanDerWaalsContact OD2-OG 3.12Å; D302-V305 HydrophobicContact CB-CB 4.33Å; D302-V305 HydrophobicContact CB-CG2 4.03Å; D302-V305 CarbonylContact O-C 3.44Å; D302-V305 WeakPolarHBondContact O-CA 3.33Å; D302-V305 WeakPolarHBondContact O-CB 3.11Å; D302-V305 PolarHBondContact O-N 3.17Å; D302-R306 PolarHBondContact O-N 2.87Å | ||
| 303 | Q | 51.4 | Low | 51.9 | Low | 121 Ų | 121 | 91 Ų | 91 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -50.5 | -31.8 | -176.8 | -69.7 | -174.5 | -14.3 | 0 | 0 | 111.9 | E301 H307 | E301-Q303 PolarHBondContact O-N 2.79Å; Q303-H307 VanDerWaalsContact O-CB 3.27Å; Q303-H307 WeakPolarHBondContact O-CB 3.13Å; Q303-H307 PolarHBondContact O-N 2.76Å |
| 304 | S | 50.7 | Low | 53.5 | Low | 37 Ų | 37 | 89.1 Ų | 89.1 | 26% | 0.259 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.9 | -39.2 | 177.1 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | D302 H307 L308 | D302-S304 PolarHBondContact O-N 2.8Å; D302-S304 PolarHBondContact OD1-N 2.92Å; D302-S304 PolarHBondContact OD1-OG 2.98Å; D302-S304 PolarHBondContact OD2-OG 2.83Å; D302-S304 VanDerWaalsContact OD2-OG 3.12Å; S304-H307 PolarHBondContact O-N 2.84Å; S304-L308 VanDerWaalsContact O-CB 3.3Å; S304-L308 WeakPolarHBondContact O-CB 3.34Å; S304-L308 PolarHBondContact O-N 2.98Å |
| 305 | V | 54.1 | Low | 55.1 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 172.1 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | D302 L308 R309 | D302-V305 HydrophobicContact CB-CB 4.33Å; D302-V305 HydrophobicContact CB-CG2 4.03Å; D302-V305 CarbonylContact O-C 3.44Å; D302-V305 WeakPolarHBondContact O-CA 3.33Å; D302-V305 WeakPolarHBondContact O-CB 3.11Å; D302-V305 PolarHBondContact O-N 3.17Å; V305-L308 PolarHBondContact O-N 2.63Å; V305-R309 WeakPolarHBondContact O-CB 3.3Å; V305-R309 PolarHBondContact O-N 3.09Å |
| 306 | R | 62.7 | Low | 57.1 | Low | 139 Ų | 139 | 90.8 Ų | 90.8 | 53% | 0.525 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 173.2 | -174.5 | -179.9 | 173.7 | -144 | -1 | 111.5 | D302 L308 R309 L310 | D302-R306 PolarHBondContact O-N 2.87Å; R306-L308 VanDerWaalsContact C-N 3.35Å; R306-R309 PolarHBondContact O-N 2.79Å; R306-L310 HydrophobicContact CG-CD1 4.14Å; R306-L310 WeakPolarHBondContact O-CB 3.47Å; R306-L310 VanDerWaalsContact O-CG 3.23Å; R306-L310 WeakPolarHBondContact O-CG 3.39Å; R306-L310 PolarHBondContact O-N 2.83Å |
| 307 | H | 61.5 | Low | 59.2 | Low | 127 Ų | 127 | 93.7 Ų | 93.7 | 59% | 0.588 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 176.3 | -127.1 | 94 | 0 | 0 | 0 | 110.9 | Q303 S304 R309 L310 I311 | Q303-H307 VanDerWaalsContact O-CB 3.27Å; Q303-H307 WeakPolarHBondContact O-CB 3.13Å; Q303-H307 PolarHBondContact O-N 2.76Å; S304-H307 PolarHBondContact O-N 2.84Å; H307-R309 VanDerWaalsContact C-N 3.35Å; H307-L310 PolarHBondContact O-N 3.3Å; H307-I311 WeakPolarHBondContact O-CB 3.48Å; H307-I311 VanDerWaalsContact O-CG1 3.24Å; H307-I311 WeakPolarHBondContact O-CG1 3.37Å; H307-I311 PolarHBondContact O-N 3.46Å |
| 308 | L | 63.2 | Low | 60.6 | Low | 121 Ų | 121 | 95.7 Ų | 95.7 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 178.4 | -169.1 | 69.7 | 0 | 0 | 0 | 111.1 | S304 V305 R306 I311 L312 | S304-L308 VanDerWaalsContact O-CB 3.3Å; S304-L308 WeakPolarHBondContact O-CB 3.34Å; S304-L308 PolarHBondContact O-N 2.98Å; V305-L308 PolarHBondContact O-N 2.63Å; R306-L308 VanDerWaalsContact C-N 3.35Å; L308-I311 PolarHBondContact O-N 2.82Å; L308-L312 VanDerWaalsContact O-CB 3.28Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 PolarHBondContact O-N 3.48Å |
| 309 | R | 69.8 | Low | 61.9 | Low | 95 Ų | 95 | 93.3 Ų | 93.3 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.4 | -168.7 | -174.1 | 75.9 | -153.9 | -10.3 | 111.1 | E301 V305 R306 H307 I311 L312 E313 | E301-R309 IonicContact OE1-CZ 3.54Å; E301-R309 IonicContact OE1-NH1 2.81Å; E301-R309 PolarHBondContact OE1-NH1 2.81Å; E301-R309 IonicContact OE2-CZ 3.66Å; E301-R309 IonicContact OE2-NH1 3.51Å; E301-R309 PolarHBondContact OE2-NH1 2.67Å; E301-R309 IonicContact OE2-NH2 2.73Å; V305-R309 WeakPolarHBondContact O-CB 3.3Å; V305-R309 PolarHBondContact O-N 3.09Å; R306-R309 PolarHBondContact O-N 2.79Å; H307-R309 VanDerWaalsContact C-N 3.35Å; R309-I311 VanDerWaalsContact C-N 3.35Å; R309-I311 PolarHBondContact O-N 3.09Å; R309-L312 PolarHBondContact O-N 2.78Å; R309-E313 WeakPolarHBondContact CD-OE1 3.42Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 WeakPolarHBondContact CG-OE1 3.42Å; R309-E313 IonicContact NE-OE1 3.51Å; R309-E313 PolarHBondContact NE-OE1 2.94Å; R309-E313 VanDerWaalsContact NE-OE1 3.09Å; R309-E313 WeakPolarHBondContact O-CB 3.17Å; R309-E313 VanDerWaalsContact O-CG 3.31Å; R309-E313 WeakPolarHBondContact O-CG 3.49Å; R309-E313 PolarHBondContact O-N 3.49Å |
| 310 | L | 70 | Confident | 63.6 | Low | 74 Ų | 74 | 91 Ų | 91 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.6 | -71.2 | 170.7 | 0 | 0 | 0 | 112.1 | R306 H307 S314 | R306-L310 HydrophobicContact CG-CD1 4.14Å; R306-L310 WeakPolarHBondContact O-CB 3.47Å; R306-L310 VanDerWaalsContact O-CG 3.23Å; R306-L310 WeakPolarHBondContact O-CG 3.39Å; R306-L310 PolarHBondContact O-N 2.83Å; H307-L310 PolarHBondContact O-N 3.3Å; L310-S314 WeakPolarHBondContact O-CB 3.19Å; L310-S314 PolarHBondContact O-N 3.4Å |
| 311 | I | 68.7 | Low | 64.8 | Low | 72 Ų | 72 | 86.7 Ų | 86.7 | 37% | 0.369 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.1 | -50.3 | 173.2 | -71.5 | 164.9 | 0 | 0 | 0 | 109.5 | H307 L308 R309 E313 S314 Q315 | H307-I311 WeakPolarHBondContact O-CB 3.48Å; H307-I311 VanDerWaalsContact O-CG1 3.24Å; H307-I311 WeakPolarHBondContact O-CG1 3.37Å; H307-I311 PolarHBondContact O-N 3.46Å; L308-I311 PolarHBondContact O-N 2.82Å; R309-I311 VanDerWaalsContact C-N 3.35Å; R309-I311 PolarHBondContact O-N 3.09Å; I311-E313 PolarHBondContact O-N 3.09Å; I311-S314 PolarHBondContact O-N 2.89Å; I311-S314 PolarHBondContact O-OG 3.46Å; I311-Q315 HydrophobicContact CG2-CG 4.33Å; I311-Q315 WeakPolarHBondContact O-CB 3.09Å; I311-Q315 WeakPolarHBondContact O-CG 3.41Å; I311-Q315 PolarHBondContact O-N 3.16Å |
| 312 | L | 72.6 | Confident | 65.8 | Low | 93 Ų | 93 | 89 Ų | 89 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | -178.1 | -166 | 73.6 | 0 | 0 | 0 | 111.4 | L308 R309 Q315 N316 | L308-L312 VanDerWaalsContact O-CB 3.28Å; L308-L312 WeakPolarHBondContact O-CB 3.47Å; L308-L312 PolarHBondContact O-N 3.48Å; R309-L312 PolarHBondContact O-N 2.78Å; L312-Q315 PolarHBondContact O-N 3.26Å; L312-N316 VanDerWaalsContact O-CB 3.31Å; L312-N316 WeakPolarHBondContact O-CB 3.49Å; L312-N316 PolarHBondContact O-N 2.88Å |
| 313 | E | 75.8 | Confident | 66.7 | Low | 84 Ų | 84 | 91 Ų | 91 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 172.8 | -76.8 | 171.1 | -171.2 | 0 | 0 | 111 | R309 I311 Q315 N316 N317 | R309-E313 WeakPolarHBondContact CD-OE1 3.42Å; R309-E313 HydrophobicContact CG-CG 4.31Å; R309-E313 WeakPolarHBondContact CG-OE1 3.42Å; R309-E313 IonicContact NE-OE1 3.51Å; R309-E313 PolarHBondContact NE-OE1 2.94Å; R309-E313 VanDerWaalsContact NE-OE1 3.09Å; R309-E313 WeakPolarHBondContact O-CB 3.17Å; R309-E313 VanDerWaalsContact O-CG 3.31Å; R309-E313 WeakPolarHBondContact O-CG 3.49Å; R309-E313 PolarHBondContact O-N 3.49Å; I311-E313 PolarHBondContact O-N 3.09Å; E313-Q315 VanDerWaalsContact C-N 3.32Å; E313-Q315 PolarHBondContact O-N 2.65Å; E313-N316 PolarHBondContact O-N 2.53Å; E313-N317 WeakPolarHBondContact O-CB 3.32Å; E313-N317 PolarHBondContact O-N 3.1Å; E313-N317 PolarHBondContact O-ND2 3.49Å |
| 314 | S | 69.8 | Low | 67.4 | Low | 54 Ų | 54 | 93.7 Ų | 93.7 | 38% | 0.378 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 176.3 | 86.7 | 0 | 0 | 0 | 0 | 111.6 | L310 I311 N317 M318 | L310-S314 WeakPolarHBondContact O-CB 3.19Å; L310-S314 PolarHBondContact O-N 3.4Å; I311-S314 PolarHBondContact O-N 2.89Å; I311-S314 PolarHBondContact O-OG 3.46Å; S314-N317 PolarHBondContact O-N 3.01Å; S314-M318 WeakPolarHBondContact O-CB 3.23Å; S314-M318 VanDerWaalsContact O-CG 3.29Å; S314-M318 WeakPolarHBondContact O-CG 3.4Å; S314-M318 PolarHBondContact O-N 2.87Å |
| 315 | Q | 72.1 | Confident | 67.8 | Low | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 177 | -76.8 | -177.8 | -9.6 | 0 | 0 | 111.2 | I311 L312 E313 M318 R319 | I311-Q315 HydrophobicContact CG2-CG 4.33Å; I311-Q315 WeakPolarHBondContact O-CB 3.09Å; I311-Q315 WeakPolarHBondContact O-CG 3.41Å; I311-Q315 PolarHBondContact O-N 3.16Å; L312-Q315 PolarHBondContact O-N 3.26Å; E313-Q315 VanDerWaalsContact C-N 3.32Å; E313-Q315 PolarHBondContact O-N 2.65Å; Q315-M318 HydrophobicContact CG-CE 4.11Å; Q315-M318 PolarHBondContact O-N 2.89Å; Q315-R319 WeakPolarHBondContact O-CB 3.06Å; Q315-R319 PolarHBondContact O-N 3.23Å |
| 316 | N | 74 | Confident | 67.8 | Low | 68 Ų | 68 | 96.8 Ų | 96.8 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 177.9 | -146.1 | 15.5 | 0 | 0 | 0 | 110.9 | L312 E313 R319 L320 | L312-N316 VanDerWaalsContact O-CB 3.31Å; L312-N316 WeakPolarHBondContact O-CB 3.49Å; L312-N316 PolarHBondContact O-N 2.88Å; E313-N316 PolarHBondContact O-N 2.53Å; N316-R319 PolarHBondContact O-N 3.04Å; N316-R319 VanDerWaalsContact OD1-CZ 3.3Å; N316-R319 PolarHBondContact OD1-NE 3.31Å; N316-R319 VanDerWaalsContact OD1-NE 3.15Å; N316-R319 PolarHBondContact OD1-NH2 2.89Å; N316-L320 WeakPolarHBondContact O-CB 3.34Å; N316-L320 VanDerWaalsContact O-CG 3.27Å; N316-L320 WeakPolarHBondContact O-CG 3.17Å; N316-L320 PolarHBondContact O-N 3.01Å |
| 317 | N | 75.2 | Confident | 67.4 | Low | 107 Ų | 107 | 95.1 Ų | 95.1 | 57% | 0.572 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 173.4 | -71.4 | -21.1 | 0 | 0 | 0 | 111.8 | E313 S314 L320 A321 | E313-N317 WeakPolarHBondContact O-CB 3.32Å; E313-N317 PolarHBondContact O-N 3.1Å; E313-N317 PolarHBondContact O-ND2 3.49Å; S314-N317 PolarHBondContact O-N 3.01Å; N317-L320 PolarHBondContact O-N 2.85Å; N317-A321 VanDerWaalsContact O-CB 3.28Å; N317-A321 WeakPolarHBondContact O-CB 3.49Å; N317-A321 PolarHBondContact O-N 3.39Å |
| 318 | M | 67.1 | Low | 66.8 | Low | 106 Ų | 106 | 94.6 Ų | 94.6 | 52% | 0.522 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 173.1 | -77.9 | -171.1 | -70.9 | 0 | 0 | 111.5 | S314 Q315 L320 A321 I322 | S314-M318 WeakPolarHBondContact O-CB 3.23Å; S314-M318 VanDerWaalsContact O-CG 3.29Å; S314-M318 WeakPolarHBondContact O-CG 3.4Å; S314-M318 PolarHBondContact O-N 2.87Å; Q315-M318 HydrophobicContact CG-CE 4.11Å; Q315-M318 PolarHBondContact O-N 2.89Å; M318-L320 PolarHBondContact O-N 2.89Å; M318-A321 PolarHBondContact O-N 3.34Å; M318-I322 VanDerWaalsContact O-CG1 3.27Å; M318-I322 WeakPolarHBondContact O-CG1 3.34Å; M318-I322 PolarHBondContact O-N 2.82Å |
| 319 | R | 67.2 | Low | 65.8 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 175.1 | 178 | 178.7 | 68 | 148.5 | -1.3 | 111 | Q315 N316 A321 I322 E323 | Q315-R319 WeakPolarHBondContact O-CB 3.06Å; Q315-R319 PolarHBondContact O-N 3.23Å; N316-R319 PolarHBondContact O-N 3.04Å; N316-R319 VanDerWaalsContact OD1-CZ 3.3Å; N316-R319 PolarHBondContact OD1-NE 3.31Å; N316-R319 VanDerWaalsContact OD1-NE 3.15Å; N316-R319 PolarHBondContact OD1-NH2 2.89Å; R319-A321 VanDerWaalsContact C-N 3.32Å; R319-A321 PolarHBondContact O-N 2.87Å; R319-I322 PolarHBondContact O-N 2.83Å; R319-E323 WeakPolarHBondContact O-CG 3.42Å; R319-E323 PolarHBondContact O-N 2.83Å |
| 320 | L | 71.2 | Confident | 64.8 | Low | 68 Ų | 68 | 95.4 Ų | 95.4 | 36% | 0.356 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 178.5 | -70.1 | 171.4 | 0 | 0 | 0 | 112.1 | N316 N317 M318 E323 R324 | N316-L320 WeakPolarHBondContact O-CB 3.34Å; N316-L320 VanDerWaalsContact O-CG 3.27Å; N316-L320 WeakPolarHBondContact O-CG 3.17Å; N316-L320 PolarHBondContact O-N 3.01Å; N317-L320 PolarHBondContact O-N 2.85Å; M318-L320 PolarHBondContact O-N 2.89Å; L320-E323 PolarHBondContact O-N 2.92Å; L320-R324 WeakPolarHBondContact O-CB 3.44Å; L320-R324 VanDerWaalsContact O-CG 3.3Å; L320-R324 WeakPolarHBondContact O-CG 3.23Å; L320-R324 PolarHBondContact O-N 3.07Å |
| 321 | A | 67.2 | Low | 63.6 | Low | 39 Ų | 39 | 95 Ų | 95 | 32% | 0.322 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111 | N317 M318 R319 E323 R324 F325 | N317-A321 VanDerWaalsContact O-CB 3.28Å; N317-A321 WeakPolarHBondContact O-CB 3.49Å; N317-A321 PolarHBondContact O-N 3.39Å; M318-A321 PolarHBondContact O-N 3.34Å; R319-A321 VanDerWaalsContact C-N 3.32Å; R319-A321 PolarHBondContact O-N 2.87Å; A321-E323 VanDerWaalsContact C-N 3.34Å; A321-E323 PolarHBondContact O-N 2.87Å; A321-R324 PolarHBondContact O-N 2.85Å; A321-F325 WeakPolarHBondContact O-CD2 3.23Å; A321-F325 PolarHBondContact O-N 2.68Å |
| 322 | I | 64.8 | Low | 62.3 | Low | 122 Ų | 122 | 99.7 Ų | 99.7 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 175.6 | -68.8 | 164.7 | 0 | 0 | 0 | 110.7 | M318 R319 F325 G326 | M318-I322 VanDerWaalsContact O-CG1 3.27Å; M318-I322 WeakPolarHBondContact O-CG1 3.34Å; M318-I322 PolarHBondContact O-N 2.82Å; R319-I322 PolarHBondContact O-N 2.83Å; I322-F325 PolarHBondContact O-N 3.25Å; I322-G326 PolarHBondContact O-N 3.42Å |
| 323 | E | 71.6 | Confident | 60.8 | Low | 93 Ų | 93 | 99.1 Ų | 99.1 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.4 | -74.5 | 175 | -175.1 | 0 | 0 | 111.8 | R319 L320 A321 G326 N327 | R319-E323 WeakPolarHBondContact O-CG 3.42Å; R319-E323 PolarHBondContact O-N 2.83Å; L320-E323 PolarHBondContact O-N 2.92Å; A321-E323 VanDerWaalsContact C-N 3.34Å; A321-E323 PolarHBondContact O-N 2.87Å; E323-G326 PolarHBondContact O-N 3.36Å; E323-N327 WeakPolarHBondContact O-CB 3.32Å; E323-N327 VanDerWaalsContact O-CG 3.31Å; E323-N327 PolarHBondContact O-N 3.04Å; E323-N327 PolarHBondContact O-ND2 3.18Å |
| 324 | R | 67.1 | Low | 58.9 | Low | 176 Ų | 176 | 101.9 Ų | 101.9 | 66% | 0.664 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -45.2 | 172.9 | -75.7 | -179.3 | -162.7 | -166.9 | 5.9 | 111.5 | L320 A321 G326 N327 I328 | L320-R324 WeakPolarHBondContact O-CB 3.44Å; L320-R324 VanDerWaalsContact O-CG 3.3Å; L320-R324 WeakPolarHBondContact O-CG 3.23Å; L320-R324 PolarHBondContact O-N 3.07Å; A321-R324 PolarHBondContact O-N 2.85Å; R324-G326 VanDerWaalsContact C-N 3.32Å; R324-G326 PolarHBondContact O-N 2.83Å; R324-N327 PolarHBondContact O-N 2.97Å; R324-I328 WeakPolarHBondContact O-CB 3.38Å; R324-I328 WeakPolarHBondContact O-CD1 3.36Å; R324-I328 WeakPolarHBondContact O-CG1 3.15Å; R324-I328 PolarHBondContact O-N 2.8Å |
| 325 | F | 59.1 | Low | 57.6 | Low | 150 Ų | 150 | 103.2 Ų | 103.2 | 66% | 0.658 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63 | -38.9 | 175.5 | -80.5 | -66.6 | 0 | 0 | 0 | 111.9 | A321 I322 I328 S329 | A321-F325 WeakPolarHBondContact O-CD2 3.23Å; A321-F325 PolarHBondContact O-N 2.68Å; I322-F325 PolarHBondContact O-N 3.25Å; F325-I328 PolarHBondContact O-N 3.42Å; F325-S329 VanDerWaalsContact O-CB 3.29Å; F325-S329 WeakPolarHBondContact O-CB 3.32Å; F325-S329 PolarHBondContact O-N 2.83Å; F325-S329 PolarHBondContact O-OG 2.82Å; F325-S329 VanDerWaalsContact O-OG 3.11Å |
| 326 | G | 52.4 | Low | 56.2 | Low | 27 Ų | 27 | 106.5 Ų | 106.5 | 28% | 0.278 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65 | -36 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I322 E323 R324 S329 K330 | I322-G326 PolarHBondContact O-N 3.42Å; E323-G326 PolarHBondContact O-N 3.36Å; R324-G326 VanDerWaalsContact C-N 3.32Å; R324-G326 PolarHBondContact O-N 2.83Å; G326-S329 WeakPolarHBondContact CA-OG 3.42Å; G326-S329 PolarHBondContact O-OG 2.87Å; G326-K330 WeakPolarHBondContact O-CG 3.24Å; G326-K330 PolarHBondContact O-N 2.94Å; G326-K330 VanDerWaalsContact O-N 3.17Å |
| 327 | N | 55.6 | Low | 54.8 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -79 | -35 | 176.7 | -72.8 | -21.8 | 0 | 0 | 0 | 112.2 | E323 R324 S329 K330 G331 | E323-N327 WeakPolarHBondContact O-CB 3.32Å; E323-N327 VanDerWaalsContact O-CG 3.31Å; E323-N327 PolarHBondContact O-N 3.04Å; E323-N327 PolarHBondContact O-ND2 3.18Å; R324-N327 PolarHBondContact O-N 2.97Å; N327-S329 VanDerWaalsContact C-N 3.34Å; N327-K330 PolarHBondContact O-N 2.94Å; N327-G331 PolarHBondContact O-N 2.85Å |
| 328 | I | 49 | Very low | 53.4 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 60% | 0.595 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.4 | -38.8 | 171.7 | -67.7 | 163.6 | 0 | 0 | 0 | 110.4 | R324 F325 G331 | R324-I328 WeakPolarHBondContact O-CB 3.38Å; R324-I328 WeakPolarHBondContact O-CD1 3.36Å; R324-I328 WeakPolarHBondContact O-CG1 3.15Å; R324-I328 PolarHBondContact O-N 2.8Å; F325-I328 PolarHBondContact O-N 3.42Å; I328-G331 PolarHBondContact O-N 3.07Å; I328-G331 VanDerWaalsContact O-N 3.12Å |
| 329 | S | 42.2 | Very low | 52.5 | Low | 55 Ų | 55 | 107.5 Ų | 107.5 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.5 | -29.5 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | F325 G326 N327 G331 K332 | F325-S329 VanDerWaalsContact O-CB 3.29Å; F325-S329 WeakPolarHBondContact O-CB 3.32Å; F325-S329 PolarHBondContact O-N 2.83Å; F325-S329 PolarHBondContact O-OG 2.82Å; F325-S329 VanDerWaalsContact O-OG 3.11Å; G326-S329 WeakPolarHBondContact CA-OG 3.42Å; G326-S329 PolarHBondContact O-OG 2.87Å; N327-S329 VanDerWaalsContact C-N 3.34Å; S329-G331 PolarHBondContact O-N 3.13Å; S329-K332 PolarHBondContact O-N 3.17Å |
| 330 | K | 47.8 | Very low | 51.6 | Low | 178 Ų | 178 | 103.7 Ų | 103.7 | 77% | 0.774 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -24.9 | 167.7 | -76.1 | 176.6 | -178 | 178.2 | 0 | 112.9 | G326 N327 | G326-K330 WeakPolarHBondContact O-CG 3.24Å; G326-K330 PolarHBondContact O-N 2.94Å; G326-K330 VanDerWaalsContact O-N 3.17Å; N327-K330 PolarHBondContact O-N 2.94Å |
| 331 | G | 44.6 | Very low | 50.4 | Low | 64 Ų | 64 | 108.4 Ų | 108.4 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -16 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N327 I328 S329 | N327-G331 PolarHBondContact O-N 2.85Å; I328-G331 PolarHBondContact O-N 3.07Å; I328-G331 VanDerWaalsContact O-N 3.12Å; S329-G331 PolarHBondContact O-N 3.13Å |
| 332 | K | 40.9 | Very low | 49.5 | Very low | 171 Ų | 171 | 112.2 Ų | 112.2 | 74% | 0.743 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.7 | 88.5 | -177.4 | -71.2 | -173.4 | 178.9 | -178.9 | 0 | 111.3 | S329 F334 | S329-K332 PolarHBondContact O-N 3.17Å; K332-F334 WeakPolarHBondContact O-CB 3.47Å; K332-F334 PolarHBondContact O-N 2.84Å |
| 333 | G | 41 | Very low | 48.9 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 84% | 0.835 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46 | 6.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | A335 | G333-A335 VanDerWaalsContact C-N 3.34Å; G333-A335 PolarHBondContact O-N 3.07Å |
| 334 | F | 36.3 | Very low | 47.9 | Very low | 143 Ų | 143 | 112.9 Ų | 112.9 | 63% | 0.627 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 8.6 | -169.9 | -123.7 | -105.9 | 0 | 0 | 0 | 112.6 | K332 K336 S337 | K332-F334 WeakPolarHBondContact O-CB 3.47Å; K332-F334 PolarHBondContact O-N 2.84Å; F334-K336 PolarHBondContact O-N 3.29Å; F334-S337 WeakPolarHBondContact CD1-OG 3.13Å; F334-S337 WeakPolarHBondContact CE1-OG 3.29Å; F334-S337 PolarHBondContact O-N 2.96Å; F334-S337 VanDerWaalsContact O-N 3.1Å |
| 335 | A | 43.5 | Very low | 47 | Very low | 82 Ų | 82 | 109.1 Ų | 109.1 | 68% | 0.678 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57 | -22.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G333 | G333-A335 VanDerWaalsContact C-N 3.34Å; G333-A335 PolarHBondContact O-N 3.07Å |
| 336 | K | 42.5 | Very low | 46.5 | Very low | 174 Ų | 174 | 109.2 Ų | 109.2 | 76% | 0.757 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.8 | -28.9 | 177.2 | -71.5 | -171.6 | 176 | -173.4 | 0 | 114.1 | F334 Y394 | F334-K336 PolarHBondContact O-N 3.29Å; K336-Y394 PolarHBondContact O-OH 3.48Å |
| 337 | S | 44.3 | Very low | 46.3 | Very low | 46 Ų | 46 | 109.9 Ų | 109.9 | 32% | 0.322 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -85 | -30.1 | -179.5 | 88.1 | 0 | 0 | 0 | 0 | 113.1 | F334 F339 A340 Y341 | F334-S337 WeakPolarHBondContact CD1-OG 3.13Å; F334-S337 WeakPolarHBondContact CE1-OG 3.29Å; F334-S337 PolarHBondContact O-N 2.96Å; F334-S337 VanDerWaalsContact O-N 3.1Å; S337-F339 VanDerWaalsContact C-N 3.32Å; S337-F339 PolarHBondContact O-N 3.09Å; S337-A340 PolarHBondContact O-N 2.69Å; S337-A340 VanDerWaalsContact O-N 3.16Å; S337-Y341 PolarHBondContact O-N 2.83Å |
| 338 | H | 44.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 111.2 Ų | 111.2 | 53% | 0.528 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.4 | -34.4 | -176.7 | -149.2 | -84.7 | 0 | 0 | 0 | 112.1 | A340 Y341 Q342 | H338-A340 VanDerWaalsContact C-N 3.32Å; H338-A340 PolarHBondContact O-N 2.95Å; H338-Y341 PolarHBondContact O-N 3.33Å; H338-Q342 PolarHBondContact CE1-OE1 3.49Å; H338-Q342 PolarHBondContact ND1-OE1 2.83Å; H338-Q342 WeakPolarHBondContact O-CB 3.46Å; H338-Q342 PolarHBondContact O-N 2.76Å; H338-Q342 VanDerWaalsContact O-N 3.12Å |
| 339 | F | 48.9 | Very low | 46 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -36.9 | 174 | -121.4 | -87 | 0 | 0 | 0 | 111.7 | S337 Y343 | S337-F339 VanDerWaalsContact C-N 3.32Å; S337-F339 PolarHBondContact O-N 3.09Å; F339-Y343 HydrophobicContact CD1-CD2 4.18Å; F339-Y343 AromaticContact CD1-CE2 3.81Å; F339-Y343 HydrophobicContact CD1-CE2 3.81Å; F339-Y343 AromaticContact CE1-CE2 3.71Å; F339-Y343 HydrophobicContact CE1-CE2 3.71Å; F339-Y343 VanDerWaalsContact O-CD2 3.25Å; F339-Y343 WeakPolarHBondContact O-CD2 3.4Å |
| 340 | A | 48 | Very low | 46.3 | Very low | 31 Ų | 31 | 113.1 Ų | 113.1 | 26% | 0.256 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S337 H338 Q342 Y343 I344 | S337-A340 PolarHBondContact O-N 2.69Å; S337-A340 VanDerWaalsContact O-N 3.16Å; H338-A340 VanDerWaalsContact C-N 3.32Å; H338-A340 PolarHBondContact O-N 2.95Å; A340-Q342 PolarHBondContact O-N 3.06Å; A340-Y343 PolarHBondContact O-N 2.79Å; A340-I344 WeakPolarHBondContact O-CD1 3.05Å; A340-I344 VanDerWaalsContact O-CG1 3.23Å; A340-I344 WeakPolarHBondContact O-CG1 3.45Å; A340-I344 PolarHBondContact O-N 3.48Å |
| 341 | Y | 46.4 | Very low | 46.2 | Very low | 168 Ų | 168 | 106.4 Ų | 106.4 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.8 | -39.7 | -175.8 | -122.2 | -92.9 | 0 | 0 | 0 | 113.2 | S337 H338 Y343 I344 Q345 | S337-Y341 PolarHBondContact O-N 2.83Å; H338-Y341 PolarHBondContact O-N 3.33Å; Y341-Y343 PolarHBondContact O-N 2.84Å; Y341-I344 PolarHBondContact O-N 2.99Å; Y341-Q345 PolarHBondContact O-N 3.21Å |
| 342 | Q | 49.4 | Very low | 46.4 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.8 | -32.1 | -177.1 | -150.7 | 159.9 | -17 | 0 | 0 | 112.1 | H338 A340 F346 | H338-Q342 PolarHBondContact CE1-OE1 3.49Å; H338-Q342 PolarHBondContact ND1-OE1 2.83Å; H338-Q342 WeakPolarHBondContact O-CB 3.46Å; H338-Q342 PolarHBondContact O-N 2.76Å; H338-Q342 VanDerWaalsContact O-N 3.12Å; A340-Q342 PolarHBondContact O-N 3.06Å; Q342-F346 PolarHBondContact O-N 3.34Å |
| 343 | Y | 52.2 | Low | 46.7 | Very low | 142 Ų | 142 | 105.4 Ų | 105.4 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -81.2 | -22.6 | 175.9 | -82.9 | -93 | 0 | 0 | 0 | 114 | F339 A340 Y341 P347 | F339-Y343 HydrophobicContact CD1-CD2 4.18Å; F339-Y343 AromaticContact CD1-CE2 3.81Å; F339-Y343 HydrophobicContact CD1-CE2 3.81Å; F339-Y343 AromaticContact CE1-CE2 3.71Å; F339-Y343 HydrophobicContact CE1-CE2 3.71Å; F339-Y343 VanDerWaalsContact O-CD2 3.25Å; F339-Y343 WeakPolarHBondContact O-CD2 3.4Å; A340-Y343 PolarHBondContact O-N 2.79Å; Y341-Y343 PolarHBondContact O-N 2.84Å; Y343-P347 WeakPolarHBondContact O-CD 3.02Å |
| 344 | I | 50.4 | Low | 47 | Very low | 87 Ų | 87 | 105 Ų | 105 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -79.4 | -33.9 | 175.4 | -66.5 | 165.7 | 0 | 0 | 0 | 111.6 | A340 Y341 | A340-I344 WeakPolarHBondContact O-CD1 3.05Å; A340-I344 VanDerWaalsContact O-CG1 3.23Å; A340-I344 WeakPolarHBondContact O-CG1 3.45Å; A340-I344 PolarHBondContact O-N 3.48Å; Y341-I344 PolarHBondContact O-N 2.99Å |
| 345 | Q | 47.8 | Very low | 47.5 | Very low | 96 Ų | 96 | 102.4 Ų | 102.4 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -80.7 | -35.3 | -178.3 | -78.8 | -70.9 | -56.8 | 0 | 0 | 114 | Y341 Y348 I349 | Y341-Q345 PolarHBondContact O-N 3.21Å; Q345-Y348 WeakPolarHBondContact O-CB 3.16Å; Q345-Y348 PolarHBondContact O-N 2.84Å; Q345-I349 PolarHBondContact O-N 2.03Å; Q345-I349 VanDerWaalsContact O-N 3.13Å |
| 346 | F | 48.1 | Very low | 47.5 | Very low | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.671 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.9 | -41.3 | -175.5 | -145.5 | -92.2 | 0 | 0 | 0 | 113.8 | Q342 L350 | Q342-F346 PolarHBondContact O-N 3.34Å; F346-L350 PolarHBondContact O-N 2.89Å |
| 347 | P | 48 | Very low | 47.3 | Very low | 41 Ų | 41 | 98 Ų | 98 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.6 | -31.3 | 175.9 | -20.5 | 35.2 | 0 | 0 | 0 | 113.7 | Y343 L350 L351 M383 | Y343-P347 WeakPolarHBondContact O-CD 3.02Å; P347-L350 WeakPolarHBondContact O-CB 3.1Å; P347-L350 PolarHBondContact O-N 2.91Å; P347-L351 PolarHBondContact O-N 3.29Å; P347-M383 HydrophobicContact CB-CG 3.81Å; P347-M383 HydrophobicContact CB-SD 3.21Å; P347-M383 WeakPolarHBondContact CB-SD 3.49Å; P347-M383 HydrophobicContact CG-SD 4.48Å |
| 348 | Y | 48.5 | Very low | 47.2 | Very low | 133 Ų | 133 | 100.7 Ų | 100.7 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -37.9 | 179.2 | -152.8 | -94.4 | 0 | 0 | 0 | 111.7 | Q345 L350 L351 Q352 | Q345-Y348 WeakPolarHBondContact O-CB 3.16Å; Q345-Y348 PolarHBondContact O-N 2.84Å; Y348-L350 VanDerWaalsContact C-N 3.29Å; Y348-L350 PolarHBondContact O-N 2.72Å; Y348-L351 PolarHBondContact O-N 2.96Å; Y348-Q352 PolarHBondContact O-N 3.05Å; Y348-Q352 VanDerWaalsContact O-N 3.13Å |
| 349 | I | 50.6 | Low | 47.6 | Very low | 104 Ų | 104 | 101.1 Ų | 101.1 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 172.5 | -63.1 | 168.8 | 0 | 0 | 0 | 110.4 | Q345 Q352 A353 | Q345-I349 PolarHBondContact O-N 2.03Å; Q345-I349 VanDerWaalsContact O-N 3.13Å; I349-Q352 PolarHBondContact O-N 2.94Å; I349-A353 WeakPolarHBondContact O-CB 3.38Å; I349-A353 PolarHBondContact O-N 2.91Å; I349-A353 VanDerWaalsContact O-N 3.1Å |
| 350 | L | 47.2 | Very low | 47.4 | Very low | 107 Ų | 107 | 101.1 Ų | 101.1 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 177.6 | -146.6 | 86.5 | 0 | 0 | 0 | 112.3 | F346 P347 Y348 A353 | F346-L350 PolarHBondContact O-N 2.89Å; P347-L350 WeakPolarHBondContact O-CB 3.1Å; P347-L350 PolarHBondContact O-N 2.91Å; Y348-L350 VanDerWaalsContact C-N 3.29Å; Y348-L350 PolarHBondContact O-N 2.72Å; L350-A353 PolarHBondContact O-N 3.32Å |
| 351 | L | 46.9 | Very low | 47.1 | Very low | 37 Ų | 37 | 105.4 Ų | 105.4 | 19% | 0.194 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 176.1 | -169.9 | 71.1 | 0 | 0 | 0 | 111.9 | P347 Y348 A353 Q376 L380 M383 | P347-L351 PolarHBondContact O-N 3.29Å; Y348-L351 PolarHBondContact O-N 2.96Å; L351-A353 VanDerWaalsContact C-N 3.26Å; L351-A353 PolarHBondContact O-N 3.12Å; L351-Q376 HydrophobicContact CD1-CB 4.21Å; L351-Q376 HydrophobicContact CD1-CG 4.04Å; L351-L380 HydrophobicContact CD2-CD1 4.21Å; L351-M383 HydrophobicContact CD2-CE 4.13Å |
| 352 | Q | 47.9 | Very low | 46.6 | Very low | 145 Ų | 145 | 104.3 Ų | 104.3 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.7 | -20.2 | 174.1 | -69.8 | -172.9 | -20 | 0 | 0 | 113.3 | Y348 I349 L354 | Y348-Q352 PolarHBondContact O-N 3.05Å; Y348-Q352 VanDerWaalsContact O-N 3.13Å; I349-Q352 PolarHBondContact O-N 2.94Å; Q352-L354 VanDerWaalsContact C-N 3.31Å; Q352-L354 PolarHBondContact O-N 2.75Å |
| 353 | A | 47.8 | Very low | 46.2 | Very low | 69 Ų | 69 | 104.9 Ų | 104.9 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -2.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | I349 L350 L351 P355 | I349-A353 WeakPolarHBondContact O-CB 3.38Å; I349-A353 PolarHBondContact O-N 2.91Å; I349-A353 VanDerWaalsContact O-N 3.1Å; L350-A353 PolarHBondContact O-N 3.32Å; L351-A353 VanDerWaalsContact C-N 3.26Å; L351-A353 PolarHBondContact O-N 3.12Å; A353-P355 WeakPolarHBondContact O-CD 3.31Å |
| 354 | L | 48.4 | Very low | 46.1 | Very low | 72 Ų | 72 | 99.5 Ų | 99.5 | 38% | 0.377 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -89.3 | 101.8 | 171.3 | -76.3 | 165 | 0 | 0 | 0 | 109.1 | Q352 L356 Q376 L379 | Q352-L354 VanDerWaalsContact C-N 3.31Å; Q352-L354 PolarHBondContact O-N 2.75Å; L354-L356 PolarHBondContact O-N 3.05Å; L354-Q376 HydrophobicContact CD1-CG 3.94Å; L354-L379 HydrophobicContact CD1-CD1 3.84Å |
| 355 | P | 45.7 | Very low | 46.1 | Very low | 89 Ų | 89 | 99.8 Ų | 99.8 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | trans | -71.2 | 124 | -178.3 | 30 | -33.9 | 0 | 0 | 0 | 109.8 | A353 T357 | A353-P355 WeakPolarHBondContact O-CD 3.31Å; P355-T357 PolarHBondContact O-N 3.06Å | ||
| 356 | L | 44.2 | Very low | 46.4 | Very low | 67 Ų | 67 | 100.2 Ų | 100.2 | 35% | 0.351 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -77.7 | 12.6 | 167.5 | -70.3 | 172.3 | 0 | 0 | 0 | 112.4 | L354 L364 F369 A372 | L354-L356 PolarHBondContact O-N 3.05Å; L356-L364 WeakPolarHBondContact O-CD1 3.39Å; L356-F369 HydrophobicContact CB-CE2 4.5Å; L356-F369 HydrophobicContact CD1-CE2 4.49Å; L356-F369 HydrophobicContact CD2-CD2 4.29Å; L356-F369 HydrophobicContact CD2-CE2 3.93Å; L356-A372 HydrophobicContact CD2-CB 4.08Å |
| 357 | T | 38.4 | Very low | 47.1 | Very low | 97 Ų | 97 | 97.2 Ų | 97.2 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -144.3 | 127.7 | -178.8 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | P355 | P355-T357 PolarHBondContact O-N 3.06Š|
| 358 | N | 42.3 | Very low | 47.6 | Very low | 101 Ų | 101 | 100 Ų | 100 | 54% | 0.54 | 56% | 0.564 | S | S | . | * | trans | -70.3 | 162.4 | 170.3 | -84 | -10.6 | 0 | 0 | 0 | 111.2 | E360 | N358-E360 CarbonylContact O-C 3.57Å; N358-E360 PolarHBondContact O-N 2.76Å; N358-E360 VanDerWaalsContact O-N 3.09Å | ||
| 359 | S | 51.4 | Low | 48.1 | Very low | 123 Ų | 123 | 97.7 Ų | 97.7 | 86% | 0.86 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -61.3 | -16.3 | -177.5 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 360 | E | 45.2 | Very low | 48.6 | Very low | 142 Ų | 142 | 94.2 Ų | 94.2 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -104.7 | 114.9 | 165.9 | -64.3 | 174.5 | -178.6 | 0 | 0 | 104.9 | N358 H362 | N358-E360 CarbonylContact O-C 3.57Å; N358-E360 PolarHBondContact O-N 2.76Å; N358-E360 VanDerWaalsContact O-N 3.09Å; E360-H362 PolarHBondContact O-N 2.93Å |
| 361 | S | 42.3 | Very low | 49.6 | Very low | 121 Ų | 121 | 94.2 Ų | 94.2 | 85% | 0.846 | 55% | 0.545 | S | S | * | . | trans | -63.3 | 57.8 | -173 | 45.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 362 | H | 36.7 | Very low | 50.4 | Low | 146 Ų | 146 | 93.8 Ų | 93.8 | 68% | 0.676 | 55% | 0.547 | S | S | * | . | trans | -109.1 | 126.7 | 169.4 | -69.6 | -71.4 | 0 | 0 | 0 | 107.9 | E360 L364 | E360-H362 PolarHBondContact O-N 2.93Å; H362-L364 PolarHBondContact O-N 2.89Å | ||
| 363 | C | 40.2 | Very low | 51.3 | Low | 130 Ų | 130 | 90.4 Ų | 90.4 | 88% | 0.878 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -51 | 125.6 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | N365 | C363-N365 PolarHBondContact O-N 2.83Š|
| 364 | L | 49.2 | Very low | 52.4 | Low | 29 Ų | 29 | 90.7 Ų | 90.7 | 15% | 0.152 | 53% | 0.528 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 137.8 | 176.8 | -75.6 | 158.7 | 0 | 0 | 0 | 110.1 | L356 H362 L368 F369 | L356-L364 WeakPolarHBondContact O-CD1 3.39Å; H362-L364 PolarHBondContact O-N 2.89Å; L364-L368 HydrophobicContact CB-CB 4.48Å; L364-L368 HydrophobicContact CD2-CB 4.23Å; L364-L368 HydrophobicContact CD2-CD2 4.33Å; L364-F369 HydrophobicContact CB-CB 4.28Å |
| 365 | N | 52.2 | Low | 53.4 | Low | 94 Ų | 94 | 90.5 Ų | 90.5 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 135.4 | 171.8 | -178.1 | -26.9 | 0 | 0 | 0 | 109.3 | C363 T367 L368 F369 | C363-N365 PolarHBondContact O-N 2.83Å; N365-T367 PolarHBondContact O-N 2.92Å; N365-T367 PolarHBondContact OD1-N 3.05Å; N365-T367 PolarHBondContact OD1-OG1 2.9Å; N365-L368 HydrophobicContact CB-CD1 4.45Å; N365-L368 PolarHBondContact O-N 3.22Å; N365-F369 PolarHBondContact O-N 3.16Å |
| 366 | P | 53.5 | Low | 54.6 | Low | 105 Ų | 105 | 87.9 Ų | 87.9 | 68% | 0.682 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -48.3 | -30.2 | -176.2 | 12.6 | -29.7 | 0 | 0 | 0 | 114.9 | G370 | P366-G370 PolarHBondContact O-N 3.28Å |
| 367 | T | 62.1 | Low | 55.8 | Low | 90 Ų | 90 | 87.6 Ų | 87.6 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -48.2 | 174.1 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | N365 G370 I371 | N365-T367 PolarHBondContact O-N 2.92Å; N365-T367 PolarHBondContact OD1-N 3.05Å; N365-T367 PolarHBondContact OD1-OG1 2.9Å; T367-G370 PolarHBondContact O-N 3.48Å; T367-I371 WeakPolarHBondContact O-CG1 3.13Å; T367-I371 PolarHBondContact O-N 2.85Å |
| 368 | L | 58.1 | Low | 57.4 | Low | 100 Ų | 100 | 90.4 Ų | 90.4 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 176.3 | -95.6 | 123.3 | 0 | 0 | 0 | 112 | L364 N365 I371 A372 | L364-L368 HydrophobicContact CB-CB 4.48Å; L364-L368 HydrophobicContact CD2-CB 4.23Å; L364-L368 HydrophobicContact CD2-CD2 4.33Å; N365-L368 HydrophobicContact CB-CD1 4.45Å; N365-L368 PolarHBondContact O-N 3.22Å; L368-I371 PolarHBondContact O-N 2.96Å; L368-A372 PolarHBondContact O-N 2.59Å |
| 369 | F | 59.8 | Low | 58.8 | Low | 84 Ų | 84 | 88.7 Ų | 88.7 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.4 | -170.3 | -103.4 | 0 | 0 | 0 | 111.6 | L356 L364 N365 I371 A372 L373 | L356-F369 HydrophobicContact CB-CE2 4.5Å; L356-F369 HydrophobicContact CD1-CE2 4.49Å; L356-F369 HydrophobicContact CD2-CD2 4.29Å; L356-F369 HydrophobicContact CD2-CE2 3.93Å; L364-F369 HydrophobicContact CB-CB 4.28Å; N365-F369 PolarHBondContact O-N 3.16Å; F369-I371 PolarHBondContact O-N 3.04Å; F369-A372 PolarHBondContact O-N 3.4Å; F369-L373 HydrophobicContact CD1-CD1 3.73Å; F369-L373 HydrophobicContact CD1-CG 4.41Å; F369-L373 HydrophobicContact CE1-CD1 3.4Å; F369-L373 HydrophobicContact CE1-CG 4.13Å; F369-L373 HydrophobicContact CZ-CD1 4.1Å; F369-L373 HydrophobicContact CZ-CG 4.42Å; F369-L373 PolarHBondContact O-N 2.87Å |
| 370 | G | 60.8 | Low | 59.8 | Low | 31 Ų | 31 | 86.9 Ų | 86.9 | 32% | 0.32 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P366 T367 L373 T374 | P366-G370 PolarHBondContact O-N 3.28Å; T367-G370 PolarHBondContact O-N 3.48Å; G370-L373 PolarHBondContact O-N 3.2Å; G370-T374 WeakPolarHBondContact O-CG2 3.49Å; G370-T374 PolarHBondContact O-N 3.46Å; G370-T374 PolarHBondContact O-OG1 2.66Å |
| 371 | I | 68.7 | Low | 61 | Low | 106 Ų | 106 | 84.3 Ų | 84.3 | 54% | 0.544 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 176.7 | -64.3 | 163.8 | 0 | 0 | 0 | 111.3 | T367 L368 F369 L373 T374 V375 | T367-I371 WeakPolarHBondContact O-CG1 3.13Å; T367-I371 PolarHBondContact O-N 2.85Å; L368-I371 PolarHBondContact O-N 2.96Å; F369-I371 PolarHBondContact O-N 3.04Å; I371-L373 VanDerWaalsContact C-N 3.32Å; I371-L373 PolarHBondContact O-N 3.34Å; I371-T374 WeakPolarHBondContact CA-OG1 2.96Å; I371-T374 PolarHBondContact O-N 2.79Å; I371-T374 PolarHBondContact O-OG1 3.26Å; I371-V375 HydrophobicContact CG2-CG2 4.4Å; I371-V375 WeakPolarHBondContact O-CG2 3.21Å; I371-V375 PolarHBondContact O-N 3.1Å |
| 372 | A | 62.7 | Low | 62.3 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 24% | 0.24 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L356 L368 F369 V375 Q376 | L356-A372 HydrophobicContact CD2-CB 4.08Å; L368-A372 PolarHBondContact O-N 2.59Å; F369-A372 PolarHBondContact O-N 3.4Å; A372-V375 PolarHBondContact O-N 2.99Å; A372-Q376 WeakPolarHBondContact O-CB 3.35Å; A372-Q376 WeakPolarHBondContact O-CG 3.5Å; A372-Q376 PolarHBondContact O-N 2.81Å |
| 373 | L | 67.5 | Low | 63.7 | Low | 73 Ų | 73 | 76.7 Ų | 76.7 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 176.2 | -79.2 | 172.8 | 0 | 0 | 0 | 113.1 | F369 G370 I371 Q376 S377 | F369-L373 HydrophobicContact CD1-CD1 3.73Å; F369-L373 HydrophobicContact CD1-CG 4.41Å; F369-L373 HydrophobicContact CE1-CD1 3.4Å; F369-L373 HydrophobicContact CE1-CG 4.13Å; F369-L373 HydrophobicContact CZ-CD1 4.1Å; F369-L373 HydrophobicContact CZ-CG 4.42Å; F369-L373 PolarHBondContact O-N 2.87Å; G370-L373 PolarHBondContact O-N 3.2Å; I371-L373 VanDerWaalsContact C-N 3.32Å; I371-L373 PolarHBondContact O-N 3.34Å; L373-Q376 PolarHBondContact O-N 2.81Å; L373-S377 WeakPolarHBondContact O-CB 3.06Å; L373-S377 PolarHBondContact O-N 3.03Å; L373-S377 PolarHBondContact O-OG 2.79Å |
| 374 | T | 70.2 | Confident | 65.3 | Low | 75 Ų | 75 | 75.4 Ų | 75.4 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.3 | -43.2 | 176.9 | 55 | 0 | 0 | 0 | 0 | 111.1 | G370 I371 Q376 S377 F378 | G370-T374 WeakPolarHBondContact O-CG2 3.49Å; G370-T374 PolarHBondContact O-N 3.46Å; G370-T374 PolarHBondContact O-OG1 2.66Å; I371-T374 WeakPolarHBondContact CA-OG1 2.96Å; I371-T374 PolarHBondContact O-N 2.79Å; I371-T374 PolarHBondContact O-OG1 3.26Å; T374-Q376 PolarHBondContact O-N 3.26Å; T374-S377 WeakPolarHBondContact O-CB 3.06Å; T374-S377 PolarHBondContact O-N 3.13Å; T374-F378 WeakPolarHBondContact O-CD2 3.22Å; T374-F378 PolarHBondContact O-N 2.85Å |
| 375 | V | 71.1 | Confident | 66.1 | Low | 68 Ų | 68 | 82.1 Ų | 82.1 | 41% | 0.412 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 175.4 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | I371 A372 S377 F378 L379 | I371-V375 HydrophobicContact CG2-CG2 4.4Å; I371-V375 WeakPolarHBondContact O-CG2 3.21Å; I371-V375 PolarHBondContact O-N 3.1Å; A372-V375 PolarHBondContact O-N 2.99Å; V375-S377 VanDerWaalsContact C-N 3.31Å; V375-S377 PolarHBondContact O-N 3.01Å; V375-F378 PolarHBondContact O-N 2.84Å; V375-L379 HydrophobicContact CG1-CD1 4.09Å; V375-L379 WeakPolarHBondContact O-CG 3.25Å; V375-L379 PolarHBondContact O-N 2.96Å |
| 376 | Q | 69.4 | Low | 66.8 | Low | 35 Ų | 35 | 83.1 Ų | 83.1 | 16% | 0.164 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.1 | -77.9 | -174 | -30.6 | 0 | 0 | 112.1 | L351 L354 A372 L373 T374 L379 L380 | L351-Q376 HydrophobicContact CD1-CB 4.21Å; L351-Q376 HydrophobicContact CD1-CG 4.04Å; L354-Q376 HydrophobicContact CD1-CG 3.94Å; A372-Q376 WeakPolarHBondContact O-CB 3.35Å; A372-Q376 WeakPolarHBondContact O-CG 3.5Å; A372-Q376 PolarHBondContact O-N 2.81Å; L373-Q376 PolarHBondContact O-N 2.81Å; T374-Q376 PolarHBondContact O-N 3.26Å; Q376-L379 PolarHBondContact O-N 2.76Å; Q376-L380 WeakPolarHBondContact O-CB 3.18Å; Q376-L380 PolarHBondContact O-N 3.13Å |
| 377 | S | 70.6 | Confident | 67.4 | Low | 61 Ų | 61 | 85.5 Ų | 85.5 | 43% | 0.427 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 177.1 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | L373 T374 V375 L380 I381 | L373-S377 WeakPolarHBondContact O-CB 3.06Å; L373-S377 PolarHBondContact O-N 3.03Å; L373-S377 PolarHBondContact O-OG 2.79Å; T374-S377 WeakPolarHBondContact O-CB 3.06Å; T374-S377 PolarHBondContact O-N 3.13Å; V375-S377 VanDerWaalsContact C-N 3.31Å; V375-S377 PolarHBondContact O-N 3.01Å; S377-L380 PolarHBondContact O-N 3.31Å; S377-I381 VanDerWaalsContact O-CG1 3.28Å; S377-I381 WeakPolarHBondContact O-CG1 3.39Å; S377-I381 PolarHBondContact O-N 2.59Å |
| 378 | F | 72.4 | Confident | 67.6 | Low | 155 Ų | 155 | 88.7 Ų | 88.7 | 68% | 0.68 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 175.6 | -91.9 | -77.6 | 0 | 0 | 0 | 112.2 | T374 V375 L380 I381 A382 | T374-F378 WeakPolarHBondContact O-CD2 3.22Å; T374-F378 PolarHBondContact O-N 2.85Å; V375-F378 PolarHBondContact O-N 2.84Å; F378-L380 VanDerWaalsContact C-N 3.35Å; F378-I381 PolarHBondContact O-N 3.25Å; F378-A382 WeakPolarHBondContact O-CB 3.41Å; F378-A382 PolarHBondContact O-N 3.28Å |
| 379 | L | 71.5 | Confident | 68 | Low | 66 Ų | 66 | 86 Ų | 86 | 35% | 0.346 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 175.2 | -71.9 | 172.8 | 0 | 0 | 0 | 111.3 | L354 V375 Q376 A382 M383 | L354-L379 HydrophobicContact CD1-CD1 3.84Å; V375-L379 HydrophobicContact CG1-CD1 4.09Å; V375-L379 WeakPolarHBondContact O-CG 3.25Å; V375-L379 PolarHBondContact O-N 2.96Å; Q376-L379 PolarHBondContact O-N 2.76Å; L379-A382 PolarHBondContact O-N 2.93Å; L379-M383 WeakPolarHBondContact O-CB 3.39Å; L379-M383 VanDerWaalsContact O-CG 3.24Å; L379-M383 WeakPolarHBondContact O-CG 3.44Å; L379-M383 PolarHBondContact O-N 3.24Å |
| 380 | L | 71 | Confident | 68.1 | Low | 85 Ų | 85 | 84.3 Ų | 84.3 | 45% | 0.445 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.7 | -165.9 | 83.7 | 0 | 0 | 0 | 111.8 | L351 Q376 S377 F378 M383 I384 | L351-L380 HydrophobicContact CD2-CD1 4.21Å; Q376-L380 WeakPolarHBondContact O-CB 3.18Å; Q376-L380 PolarHBondContact O-N 3.13Å; S377-L380 PolarHBondContact O-N 3.31Å; F378-L380 VanDerWaalsContact C-N 3.35Å; L380-M383 HydrophobicContact CB-CE 4.41Å; L380-M383 HydrophobicContact CD1-CE 3.88Å; L380-M383 WeakPolarHBondContact O-CB 3.49Å; L380-M383 PolarHBondContact O-N 3.1Å; L380-I384 HydrophobicContact CG-CD1 4.32Å; L380-I384 VanDerWaalsContact O-CG1 3.31Å; L380-I384 WeakPolarHBondContact O-CG1 3.32Å; L380-I384 PolarHBondContact O-N 3.15Å |
| 381 | I | 71.5 | Confident | 68.3 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 45% | 0.451 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 177.1 | -68 | 165.1 | 0 | 0 | 0 | 110.4 | S377 F378 M383 I384 Y385 | S377-I381 VanDerWaalsContact O-CG1 3.28Å; S377-I381 WeakPolarHBondContact O-CG1 3.39Å; S377-I381 PolarHBondContact O-N 2.59Å; F378-I381 PolarHBondContact O-N 3.25Å; I381-M383 VanDerWaalsContact C-N 3.28Å; I381-M383 PolarHBondContact O-N 3.42Å; I381-I384 PolarHBondContact O-N 2.92Å; I381-I384 VanDerWaalsContact O-N 3.12Å; I381-Y385 HydrophobicContact CG2-CD2 3.71Å; I381-Y385 HydrophobicContact CG2-CE2 3.76Å; I381-Y385 WeakPolarHBondContact O-CD2 3.2Å; I381-Y385 PolarHBondContact O-N 2.79Å |
| 382 | A | 69.7 | Low | 68 | Low | 59 Ų | 59 | 90.7 Ų | 90.7 | 49% | 0.488 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F378 L379 Y385 F386 | F378-A382 WeakPolarHBondContact O-CB 3.41Å; F378-A382 PolarHBondContact O-N 3.28Å; L379-A382 PolarHBondContact O-N 2.93Å; A382-Y385 PolarHBondContact O-N 3.05Å; A382-F386 WeakPolarHBondContact O-CB 3.4Å; A382-F386 PolarHBondContact O-N 2.96Å |
| 383 | M | 66.6 | Low | 67.9 | Low | 47 Ų | 47 | 94 Ų | 94 | 23% | 0.232 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 174.5 | -73.5 | -171.5 | -60.1 | 0 | 0 | 112.6 | P347 L351 L379 L380 I381 F386 R387 | P347-M383 HydrophobicContact CB-CG 3.81Å; P347-M383 HydrophobicContact CB-SD 3.21Å; P347-M383 WeakPolarHBondContact CB-SD 3.49Å; P347-M383 HydrophobicContact CG-SD 4.48Å; L351-M383 HydrophobicContact CD2-CE 4.13Å; L379-M383 WeakPolarHBondContact O-CB 3.39Å; L379-M383 VanDerWaalsContact O-CG 3.24Å; L379-M383 WeakPolarHBondContact O-CG 3.44Å; L379-M383 PolarHBondContact O-N 3.24Å; L380-M383 HydrophobicContact CB-CE 4.41Å; L380-M383 HydrophobicContact CD1-CE 3.88Å; L380-M383 WeakPolarHBondContact O-CB 3.49Å; L380-M383 PolarHBondContact O-N 3.1Å; I381-M383 VanDerWaalsContact C-N 3.28Å; I381-M383 PolarHBondContact O-N 3.42Å; M383-F386 PolarHBondContact O-N 3.25Å; M383-R387 VanDerWaalsContact O-CB 3.28Å; M383-R387 WeakPolarHBondContact O-CB 3.37Å; M383-R387 PolarHBondContact O-N 3.23Å |
| 384 | I | 72.1 | Confident | 67.1 | Low | 104 Ų | 104 | 95.6 Ų | 95.6 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.9 | -68.4 | 164.1 | 0 | 0 | 0 | 110.1 | L380 I381 F386 R387 Y388 | L380-I384 HydrophobicContact CG-CD1 4.32Å; L380-I384 VanDerWaalsContact O-CG1 3.31Å; L380-I384 WeakPolarHBondContact O-CG1 3.32Å; L380-I384 PolarHBondContact O-N 3.15Å; I381-I384 PolarHBondContact O-N 2.92Å; I381-I384 VanDerWaalsContact O-N 3.12Å; I384-F386 PolarHBondContact O-N 2.74Å; I384-R387 PolarHBondContact O-N 2.87Å; I384-Y388 WeakPolarHBondContact O-CB 2.98Å; I384-Y388 PolarHBondContact O-N 3.04Å |
| 385 | Y | 67.7 | Low | 66.3 | Low | 169 Ų | 169 | 98 Ų | 98 | 66% | 0.663 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 176.6 | -90.4 | -80.4 | 0 | 0 | 0 | 112.2 | I381 A382 Y388 A389 | I381-Y385 HydrophobicContact CG2-CD2 3.71Å; I381-Y385 HydrophobicContact CG2-CE2 3.76Å; I381-Y385 WeakPolarHBondContact O-CD2 3.2Å; I381-Y385 PolarHBondContact O-N 2.79Å; A382-Y385 PolarHBondContact O-N 3.05Å; Y385-Y388 PolarHBondContact O-N 3.01Å; Y385-A389 WeakPolarHBondContact O-CB 3.35Å; Y385-A389 PolarHBondContact O-N 3.11Å |
| 386 | F | 66.8 | Low | 65.2 | Low | 116 Ų | 116 | 103 Ų | 103 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | 178.2 | -171.6 | -97 | 0 | 0 | 0 | 111.5 | A382 M383 I384 Y388 A389 V390 | A382-F386 WeakPolarHBondContact O-CB 3.4Å; A382-F386 PolarHBondContact O-N 2.96Å; M383-F386 PolarHBondContact O-N 3.25Å; I384-F386 PolarHBondContact O-N 2.74Å; F386-Y388 VanDerWaalsContact C-N 3.3Å; F386-Y388 PolarHBondContact O-N 3.3Å; F386-A389 PolarHBondContact O-N 2.86Å; F386-V390 HydrophobicContact CD1-CG2 4.02Å; F386-V390 HydrophobicContact CE1-CG2 3.65Å; F386-V390 HydrophobicContact CZ-CG2 4Å; F386-V390 WeakPolarHBondContact O-CG2 3.23Å; F386-V390 PolarHBondContact O-N 2.74Å |
| 387 | R | 66.1 | Low | 63.9 | Low | 155 Ų | 155 | 109.3 Ų | 109.3 | 59% | 0.585 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 175.1 | -171.9 | 178.4 | -177.9 | -168.6 | 0.2 | 111.3 | M383 I384 V390 L391 | M383-R387 VanDerWaalsContact O-CB 3.28Å; M383-R387 WeakPolarHBondContact O-CB 3.37Å; M383-R387 PolarHBondContact O-N 3.23Å; I384-R387 PolarHBondContact O-N 2.87Å; R387-V390 PolarHBondContact O-N 3.38Å; R387-L391 HydrophobicContact CG-CD1 4.11Å; R387-L391 WeakPolarHBondContact O-CB 3.27Å; R387-L391 WeakPolarHBondContact O-CG 3.42Å; R387-L391 PolarHBondContact O-N 3.01Å |
| 388 | Y | 65.5 | Low | 62.4 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -41.9 | 175.6 | -168.5 | -96.2 | 0 | 0 | 0 | 111.8 | I384 Y385 F386 L391 R392 | I384-Y388 WeakPolarHBondContact O-CB 2.98Å; I384-Y388 PolarHBondContact O-N 3.04Å; Y385-Y388 PolarHBondContact O-N 3.01Å; F386-Y388 VanDerWaalsContact C-N 3.3Å; F386-Y388 PolarHBondContact O-N 3.3Å; Y388-L391 PolarHBondContact O-N 2.93Å; Y388-R392 WeakPolarHBondContact O-CB 3.14Å; Y388-R392 PolarHBondContact O-N 3.49Å |
| 389 | A | 65.9 | Low | 61.9 | Low | 44 Ų | 44 | 113.7 Ų | 113.7 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y385 F386 R392 I393 | Y385-A389 WeakPolarHBondContact O-CB 3.35Å; Y385-A389 PolarHBondContact O-N 3.11Å; F386-A389 PolarHBondContact O-N 2.86Å; A389-R392 PolarHBondContact O-N 3.5Å; A389-I393 VanDerWaalsContact O-CG1 3.31Å; A389-I393 WeakPolarHBondContact O-CG1 3.22Å; A389-I393 PolarHBondContact O-N 2.76Å |
| 390 | V | 62.9 | Low | 61.4 | Low | 49 Ų | 49 | 116.2 Ų | 116.2 | 30% | 0.297 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -44.9 | 176.3 | 173.9 | 0 | 0 | 0 | 0 | 111 | F386 R387 R392 I393 Y394 | F386-V390 HydrophobicContact CD1-CG2 4.02Å; F386-V390 HydrophobicContact CE1-CG2 3.65Å; F386-V390 HydrophobicContact CZ-CG2 4Å; F386-V390 WeakPolarHBondContact O-CG2 3.23Å; F386-V390 PolarHBondContact O-N 2.74Å; R387-V390 PolarHBondContact O-N 3.38Å; V390-R392 VanDerWaalsContact C-N 3.32Å; V390-R392 PolarHBondContact O-N 3.31Å; V390-I393 PolarHBondContact O-N 3.48Å; V390-Y394 HydrophobicContact CG1-CD2 4.04Å; V390-Y394 HydrophobicContact CG1-CE2 4.28Å; V390-Y394 WeakPolarHBondContact O-CD2 3.33Å; V390-Y394 PolarHBondContact O-N 2.77Å |
| 391 | L | 64.7 | Low | 60.9 | Low | 91 Ų | 91 | 117.9 Ų | 117.9 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -37.5 | 175.8 | -77 | 166.1 | 0 | 0 | 0 | 112.3 | R387 Y388 Y394 N395 | R387-L391 HydrophobicContact CG-CD1 4.11Å; R387-L391 WeakPolarHBondContact O-CB 3.27Å; R387-L391 WeakPolarHBondContact O-CG 3.42Å; R387-L391 PolarHBondContact O-N 3.01Å; Y388-L391 PolarHBondContact O-N 2.93Å; L391-Y394 PolarHBondContact O-N 3.33Å; L391-N395 PolarHBondContact O-N 3.45Å |
| 392 | R | 62.5 | Low | 60.3 | Low | 179 Ų | 179 | 119.6 Ų | 119.6 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.6 | -37.4 | 177.4 | -157.2 | -175.8 | -157.7 | -165.2 | 5.8 | 112.2 | Y388 A389 V390 F396 | Y388-R392 WeakPolarHBondContact O-CB 3.14Å; Y388-R392 PolarHBondContact O-N 3.49Å; A389-R392 PolarHBondContact O-N 3.5Å; V390-R392 VanDerWaalsContact C-N 3.32Å; V390-R392 PolarHBondContact O-N 3.31Å; R392-F396 WeakPolarHBondContact O-CB 3.16Å; R392-F396 PolarHBondContact O-N 3.04Å |
| 393 | I | 60.3 | Low | 59.7 | Low | 100 Ų | 100 | 123.4 Ų | 123.4 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -45.8 | 172 | -67.8 | 165.2 | 0 | 0 | 0 | 109.4 | A389 V390 F396 F397 | A389-I393 VanDerWaalsContact O-CG1 3.31Å; A389-I393 WeakPolarHBondContact O-CG1 3.22Å; A389-I393 PolarHBondContact O-N 2.76Å; V390-I393 PolarHBondContact O-N 3.48Å; I393-F396 PolarHBondContact O-N 3.13Å; I393-F396 VanDerWaalsContact O-N 3.14Å; I393-F397 HydrophobicContact CG2-CD2 3.95Å; I393-F397 HydrophobicContact CG2-CE2 3.98Å; I393-F397 VanDerWaalsContact O-CD2 3.28Å; I393-F397 WeakPolarHBondContact O-CD2 3.2Å; I393-F397 PolarHBondContact O-N 2.76Å |
| 394 | Y | 50.2 | Low | 59.2 | Low | 106 Ų | 106 | 128.5 Ų | 128.5 | 42% | 0.416 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.1 | -47.1 | 177.5 | -99.6 | -91 | 0 | 0 | 0 | 112.9 | K336 V390 L391 F396 F397 D398 | K336-Y394 PolarHBondContact O-OH 3.48Å; V390-Y394 HydrophobicContact CG1-CD2 4.04Å; V390-Y394 HydrophobicContact CG1-CE2 4.28Å; V390-Y394 WeakPolarHBondContact O-CD2 3.33Å; V390-Y394 PolarHBondContact O-N 2.77Å; L391-Y394 PolarHBondContact O-N 3.33Å; Y394-F396 PolarHBondContact O-N 2.67Å; Y394-F397 PolarHBondContact O-N 3.44Å; Y394-F397 VanDerWaalsContact O-N 3.09Å; Y394-D398 PolarHBondContact O-N 2.59Å |
| 395 | N | 53.9 | Low | 58.3 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -10.3 | 176.9 | -76.6 | -3.9 | 0 | 0 | 0 | 114.2 | L391 | L391-N395 PolarHBondContact O-N 3.45Š|
| 396 | F | 48.1 | Very low | 57.6 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 75% | 0.754 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -14.6 | 173.5 | -163.1 | -92.8 | 0 | 0 | 0 | 112.1 | R392 I393 Y394 | R392-F396 WeakPolarHBondContact O-CB 3.16Å; R392-F396 PolarHBondContact O-N 3.04Å; I393-F396 PolarHBondContact O-N 3.13Å; I393-F396 VanDerWaalsContact O-N 3.14Å; Y394-F396 PolarHBondContact O-N 2.67Å |
| 397 | F | 42.2 | Very low | 56.8 | Low | 168 Ų | 168 | 128.3 Ų | 128.3 | 74% | 0.737 | 60% | 0.595 | S | S | * | * | trans | -107.2 | 3 | -178.5 | -81.9 | -71.5 | 0 | 0 | 0 | 114.2 | I393 Y394 | I393-F397 HydrophobicContact CG2-CD2 3.95Å; I393-F397 HydrophobicContact CG2-CE2 3.98Å; I393-F397 VanDerWaalsContact O-CD2 3.28Å; I393-F397 WeakPolarHBondContact O-CD2 3.2Å; I393-F397 PolarHBondContact O-N 2.76Å; Y394-F397 PolarHBondContact O-N 3.44Å; Y394-F397 VanDerWaalsContact O-N 3.09Å | ||
| 398 | D | 39.8 | Very low | 56 | Low | 194 Ų | 194 | 125.8 Ų | 125.8 | 100% | 1.037 | 60% | 0.595 | S | S | * | * | trans | -101.5 | 0 | 159.4 | -75.9 | -27.2 | 0 | 0 | 0 | 108.7 | Y394 | Y394-D398 PolarHBondContact O-N 2.59Š|
Retrieved 398 of 398 residues in 110.1 ms
(Link to these results)