| 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 | 57.1 | Low | 68.1 | Low | 195 Ų | 195 | 119 Ų | 119 | 96% | 0.961 | 57% | 0.57 | S | S | * | * | 0 | -44 | 0 | -153 | 163.2 | 157.8 | 0 | 0 | 112.3 | L3 | M1-L3 PolarHBondContact O-N 2.9Š| |||
| 2 | S | 71.5 | Confident | 67.4 | Low | 86 Ų | 86 | 113.8 Ų | 113.8 | 60% | 0.601 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.5 | -43.3 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 115.5 | W4 I5 L6 | S2-W4 PolarHBondContact O-N 3.34Å; S2-I5 PolarHBondContact O-N 3.4Å; S2-L6 PolarHBondContact O-N 2.77Å |
| 3 | L | 66.5 | Low | 66.4 | Low | 119 Ų | 119 | 119.2 Ų | 119.2 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64 | -37.8 | -176.9 | -157.7 | 82.5 | 0 | 0 | 0 | 113.5 | M1 I5 L6 I7 | M1-L3 PolarHBondContact O-N 2.9Å; L3-I5 VanDerWaalsContact C-N 3.35Å; L3-L6 PolarHBondContact O-N 2.72Å; L3-I7 HydrophobicContact CD2-CD1 4.38Å; L3-I7 HydrophobicContact CG-CD1 4.29Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.46Å; L3-I7 PolarHBondContact O-N 3.09Å |
| 4 | W | 65.2 | Low | 65.2 | Low | 186 Ų | 186 | 113.8 Ų | 113.8 | 71% | 0.705 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.6 | -31.5 | 179.4 | -74 | 95.6 | 0 | 0 | 0 | 112.6 | S2 Y8 | S2-W4 PolarHBondContact O-N 3.34Å; W4-Y8 VanDerWaalsContact O-CB 3.29Å; W4-Y8 WeakPolarHBondContact O-CB 3.26Å; W4-Y8 PolarHBondContact O-N 2.73Å |
| 5 | I | 72.7 | Confident | 64.2 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 46% | 0.456 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 174.6 | -63.5 | 167.6 | 0 | 0 | 0 | 109.8 | S2 L3 Y8 L9 | S2-I5 PolarHBondContact O-N 3.4Å; L3-I5 VanDerWaalsContact C-N 3.35Å; I5-Y8 PolarHBondContact O-N 2.59Å; I5-L9 HydrophobicContact CG2-CD1 3.84Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-L9 WeakPolarHBondContact O-CB 3.38Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.26Å; I5-L9 PolarHBondContact O-N 3.27Å |
| 6 | L | 70.9 | Confident | 63.1 | Low | 106 Ų | 106 | 118.9 Ų | 118.9 | 56% | 0.555 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.3 | -43 | 175.9 | -75.7 | 165.4 | 0 | 0 | 0 | 112.2 | S2 L3 L9 F10 | S2-L6 PolarHBondContact O-N 2.77Å; L3-L6 PolarHBondContact O-N 2.72Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-F10 VanDerWaalsContact O-CB 3.32Å; L6-F10 WeakPolarHBondContact O-CB 3.45Å; L6-F10 PolarHBondContact O-N 3.18Å |
| 7 | I | 73.1 | Confident | 62.2 | Low | 63 Ų | 63 | 123.1 Ų | 123.1 | 32% | 0.323 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -46.8 | 176.2 | -69.9 | 167.6 | 0 | 0 | 0 | 110.5 | L3 F10 F11 | L3-I7 HydrophobicContact CD2-CD1 4.38Å; L3-I7 HydrophobicContact CG-CD1 4.29Å; L3-I7 VanDerWaalsContact O-CG1 3.29Å; L3-I7 WeakPolarHBondContact O-CG1 3.46Å; L3-I7 PolarHBondContact O-N 3.09Å; I7-F10 PolarHBondContact O-N 3.04Å; I7-F11 HydrophobicContact CG2-CD2 3.48Å; I7-F11 VanDerWaalsContact CG2-CD2 3.48Å; I7-F11 HydrophobicContact CG2-CE2 3.35Å; I7-F11 WeakPolarHBondContact O-CD2 3.41Å; I7-F11 PolarHBondContact O-N 3.11Å |
| 8 | Y | 70.7 | Confident | 61.2 | Low | 160 Ų | 160 | 125.1 Ų | 125.1 | 63% | 0.627 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.8 | -44.7 | 177.3 | -176.2 | -97.5 | 0 | 0 | 0 | 112 | W4 I5 F10 F11 V12 | W4-Y8 VanDerWaalsContact O-CB 3.29Å; W4-Y8 WeakPolarHBondContact O-CB 3.26Å; W4-Y8 PolarHBondContact O-N 2.73Å; I5-Y8 PolarHBondContact O-N 2.59Å; Y8-F10 VanDerWaalsContact C-N 3.32Å; Y8-F10 PolarHBondContact O-N 3.2Å; Y8-F11 PolarHBondContact O-N 2.91Å; Y8-V12 HydrophobicContact CD1-CG2 3.87Å; Y8-V12 HydrophobicContact CD2-CG2 4.19Å; Y8-V12 HydrophobicContact CE1-CG2 3.52Å; Y8-V12 HydrophobicContact CE2-CG2 3.86Å; Y8-V12 HydrophobicContact CG-CG2 4.2Å; Y8-V12 VanDerWaalsContact O-CB 3.27Å; Y8-V12 WeakPolarHBondContact O-CB 3.39Å; Y8-V12 VanDerWaalsContact O-CG2 3.23Å; Y8-V12 WeakPolarHBondContact O-CG2 3.27Å; Y8-V12 PolarHBondContact O-N 2.94Å |
| 9 | L | 69.6 | Low | 60.3 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -40.4 | 175.3 | -74.1 | 171.3 | 0 | 0 | 0 | 111.4 | I5 L6 W13 | I5-L9 HydrophobicContact CG2-CD1 3.84Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-L9 WeakPolarHBondContact O-CB 3.38Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.26Å; I5-L9 PolarHBondContact O-N 3.27Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-W13 WeakPolarHBondContact O-CA 3.18Å; L9-W13 WeakPolarHBondContact O-CB 3.26Å; L9-W13 PolarHBondContact O-N 3.49Å |
| 10 | F | 69.5 | Low | 59.9 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 47% | 0.474 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 176.2 | -173.3 | -96.5 | 0 | 0 | 0 | 111.5 | L6 I7 Y8 N14 | L6-F10 VanDerWaalsContact O-CB 3.32Å; L6-F10 WeakPolarHBondContact O-CB 3.45Å; L6-F10 PolarHBondContact O-N 3.18Å; I7-F10 PolarHBondContact O-N 3.04Å; Y8-F10 VanDerWaalsContact C-N 3.32Å; Y8-F10 PolarHBondContact O-N 3.2Å; F10-N14 WeakPolarHBondContact CD1-ND2 3.25Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.19Å; F10-N14 WeakPolarHBondContact CE2-ND2 3.39Å; F10-N14 VanDerWaalsContact CZ-ND2 3.26Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.38Å; F10-N14 WeakPolarHBondContact O-CB 3.38Å; F10-N14 PolarHBondContact O-N 2.9Å; F10-N14 PolarHBondContact O-ND2 2.6Å |
| 11 | F | 61.9 | Low | 59.9 | Low | 99 Ų | 99 | 114.3 Ų | 114.3 | 43% | 0.434 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 177.4 | -77.7 | -64.1 | 0 | 0 | 0 | 112.4 | I7 Y8 Y15 P373 | I7-F11 HydrophobicContact CG2-CD2 3.48Å; I7-F11 VanDerWaalsContact CG2-CD2 3.48Å; I7-F11 HydrophobicContact CG2-CE2 3.35Å; I7-F11 WeakPolarHBondContact O-CD2 3.41Å; I7-F11 PolarHBondContact O-N 3.11Å; Y8-F11 PolarHBondContact O-N 2.91Å; F11-Y15 WeakPolarHBondContact O-CB 3.3Å; F11-Y15 PolarHBondContact O-N 3.48Å; F11-P373 HydrophobicContact CE1-CB 4.14Å; F11-P373 HydrophobicContact CZ-CB 4.05Å |
| 12 | V | 60.1 | Low | 60.1 | Low | 56 Ų | 56 | 109.3 Ų | 109.3 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -39.9 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | Y8 Y15 K16 | Y8-V12 HydrophobicContact CD1-CG2 3.87Å; Y8-V12 HydrophobicContact CD2-CG2 4.19Å; Y8-V12 HydrophobicContact CE1-CG2 3.52Å; Y8-V12 HydrophobicContact CE2-CG2 3.86Å; Y8-V12 HydrophobicContact CG-CG2 4.2Å; Y8-V12 VanDerWaalsContact O-CB 3.27Å; Y8-V12 WeakPolarHBondContact O-CB 3.39Å; Y8-V12 VanDerWaalsContact O-CG2 3.23Å; Y8-V12 WeakPolarHBondContact O-CG2 3.27Å; Y8-V12 PolarHBondContact O-N 2.94Å; V12-Y15 PolarHBondContact O-N 3.03Å; V12-K16 WeakPolarHBondContact O-CB 3.23Å; V12-K16 PolarHBondContact O-N 3.35Å |
| 13 | W | 54.3 | Low | 59.8 | Low | 185 Ų | 185 | 105.3 Ų | 105.3 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.7 | -48.6 | 177.3 | -170.8 | -60.7 | 0 | 0 | 0 | 111 | L9 K16 R17 | L9-W13 WeakPolarHBondContact O-CA 3.18Å; L9-W13 WeakPolarHBondContact O-CB 3.26Å; L9-W13 PolarHBondContact O-N 3.49Å; W13-K16 PolarHBondContact O-N 3.32Å; W13-R17 WeakPolarHBondContact O-CB 3.48Å; W13-R17 PolarHBondContact O-N 3.13Å |
| 14 | N | 50.3 | Low | 59.8 | Low | 43 Ų | 43 | 101.6 Ų | 101.6 | 23% | 0.23 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 176 | -76.6 | -70.7 | 0 | 0 | 0 | 110.4 | F10 K16 R17 F18 | F10-N14 WeakPolarHBondContact CD1-ND2 3.25Å; F10-N14 WeakPolarHBondContact CE1-ND2 3.19Å; F10-N14 WeakPolarHBondContact CE2-ND2 3.39Å; F10-N14 VanDerWaalsContact CZ-ND2 3.26Å; F10-N14 WeakPolarHBondContact CZ-ND2 3.38Å; F10-N14 WeakPolarHBondContact O-CB 3.38Å; F10-N14 PolarHBondContact O-N 2.9Å; F10-N14 PolarHBondContact O-ND2 2.6Å; N14-K16 VanDerWaalsContact C-N 3.3Å; N14-K16 PolarHBondContact O-N 2.74Å; N14-R17 PolarHBondContact O-N 2.92Å; N14-R17 VanDerWaalsContact O-N 3.14Å; N14-F18 HydrophobicContact CB-CD2 4.22Å; N14-F18 HydrophobicContact CB-CE2 4.15Å; N14-F18 WeakPolarHBondContact O-CB 3.43Å; N14-F18 WeakPolarHBondContact O-CD2 3.5Å; N14-F18 PolarHBondContact O-N 2.91Å |
| 15 | Y | 49.3 | Very low | 59.8 | Low | 169 Ų | 169 | 98.6 Ų | 98.6 | 66% | 0.663 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 177.2 | -174.9 | -93.9 | 0 | 0 | 0 | 112.6 | F11 V12 N19 | F11-Y15 WeakPolarHBondContact O-CB 3.3Å; F11-Y15 PolarHBondContact O-N 3.48Å; V12-Y15 PolarHBondContact O-N 3.03Å; Y15-N19 WeakPolarHBondContact CE1-ND2 3.34Å; Y15-N19 VanDerWaalsContact CE2-ND2 3.25Å; Y15-N19 WeakPolarHBondContact CE2-ND2 3.31Å; Y15-N19 WeakPolarHBondContact O-CB 3.16Å; Y15-N19 PolarHBondContact O-N 3.25Å; Y15-N19 PolarHBondContact O-ND2 3.11Å; Y15-N19 PolarHBondContact OH-ND2 2.85Å |
| 16 | K | 47.7 | Very low | 59.3 | Low | 140 Ų | 140 | 100 Ų | 100 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -72 | -34.5 | 178.3 | -158.9 | 177.5 | -175.9 | -170.4 | 0 | 111.8 | V12 W13 N14 C20 | V12-K16 WeakPolarHBondContact O-CB 3.23Å; V12-K16 PolarHBondContact O-N 3.35Å; W13-K16 PolarHBondContact O-N 3.32Å; N14-K16 VanDerWaalsContact C-N 3.3Å; N14-K16 PolarHBondContact O-N 2.74Å; K16-C20 WeakPolarHBondContact O-CB 3.17Å; K16-C20 PolarHBondContact O-N 3.47Å; K16-C20 PolarHBondContact O-SG 2.8Å |
| 17 | R | 46.6 | Very low | 58.8 | Low | 190 Ų | 190 | 99.3 Ų | 99.3 | 72% | 0.717 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72 | -31.7 | 175.5 | -165.2 | 178.6 | -178.4 | 177.7 | 1.5 | 112.7 | W13 N14 | W13-R17 WeakPolarHBondContact O-CB 3.48Å; W13-R17 PolarHBondContact O-N 3.13Å; N14-R17 PolarHBondContact O-N 2.92Å; N14-R17 VanDerWaalsContact O-N 3.14Å |
| 18 | F | 45.6 | Very low | 58 | Low | 159 Ų | 159 | 101.8 Ų | 101.8 | 70% | 0.697 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -81.6 | -18 | 177.6 | -76.9 | -64.8 | 0 | 0 | 0 | 113.9 | N14 | N14-F18 HydrophobicContact CB-CD2 4.22Å; N14-F18 HydrophobicContact CB-CE2 4.15Å; N14-F18 WeakPolarHBondContact O-CB 3.43Å; N14-F18 WeakPolarHBondContact O-CD2 3.5Å; N14-F18 PolarHBondContact O-N 2.91Å |
| 19 | N | 43.1 | Very low | 57.4 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -112.1 | -1.2 | -175.1 | -76.6 | -32.8 | 0 | 0 | 0 | 115.1 | Y15 | Y15-N19 WeakPolarHBondContact CE1-ND2 3.34Å; Y15-N19 VanDerWaalsContact CE2-ND2 3.25Å; Y15-N19 WeakPolarHBondContact CE2-ND2 3.31Å; Y15-N19 WeakPolarHBondContact O-CB 3.16Å; Y15-N19 PolarHBondContact O-N 3.25Å; Y15-N19 PolarHBondContact O-ND2 3.11Å; Y15-N19 PolarHBondContact OH-ND2 2.85Å |
| 20 | C | 51.7 | Low | 56.8 | Low | 44 Ų | 44 | 95.6 Ų | 95.6 | 30% | 0.297 | 44% | 0.441 | S | S | . | . | trans | -106.9 | 90.1 | 176.9 | -74.3 | 0 | 0 | 0 | 0 | 108.1 | K16 E25 | K16-C20 WeakPolarHBondContact O-CB 3.17Å; K16-C20 PolarHBondContact O-N 3.47Å; K16-C20 PolarHBondContact O-SG 2.8Å; C20-E25 PolarHBondContact SG-OE1 2.86Å | ||
| 21 | N | 59.6 | Low | 56.3 | Low | 33 Ų | 33 | 95.6 Ų | 95.6 | 18% | 0.176 | 45% | 0.451 | C | S | . | . | trans | -72.7 | 124.2 | 165.8 | -158.2 | 31.1 | 0 | 0 | 0 | 107.9 | Y23 C24 Y48 I188 | N21-Y23 PolarHBondContact O-N 2.84Å; N21-C24 VanDerWaalsContact O-CB 3.26Å; N21-C24 WeakPolarHBondContact O-CB 3.36Å; N21-C24 PolarHBondContact O-N 2.85Å; N21-Y48 PolarHBondContact ND2-OH 2.83Å; N21-Y48 PolarHBondContact OD1-OH 3.41Å; N21-I188 HydrophobicContact CB-CG2 4.14Å; N21-I188 WeakPolarHBondContact ND2-CG2 3.29Å | ||
| 22 | D | 61.6 | Low | 56.5 | Low | 90 Ų | 90 | 92.5 Ų | 92.5 | 48% | 0.481 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -54.5 | -29.6 | -174.1 | -82.6 | -12.6 | 0 | 0 | 0 | 112.5 | C24 E25 R26 | D22-C24 VanDerWaalsContact C-N 3.25Å; D22-C24 PolarHBondContact O-N 2.81Å; D22-E25 PolarHBondContact O-N 2.83Å; D22-E25 VanDerWaalsContact O-N 3.14Å; D22-R26 PolarHBondContact O-N 2.85Å; D22-R26 VanDerWaalsContact O-N 3.1Å |
| 23 | Y | 65 | Low | 57.6 | Low | 2 Ų | 2 | 93.7 Ų | 93.7 | 1% | 0.008 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -55.7 | -37.3 | 173.3 | -161.8 | -102.5 | 0 | 0 | 0 | 113.7 | N21 E25 L29 Y30 Y48 I188 A195 E196 H197 | N21-Y23 PolarHBondContact O-N 2.84Å; Y23-E25 VanDerWaalsContact C-N 3.32Å; Y23-E25 PolarHBondContact O-N 2.85Å; Y23-L29 HydrophobicContact CD2-CB 4.06Å; Y23-L29 HydrophobicContact CE2-CB 4.28Å; Y23-Y30 HydrophobicContact CD1-CE2 4.37Å; Y23-Y30 HydrophobicContact CE1-CD1 4.27Å; Y23-Y30 HydrophobicContact CE1-CD2 4.15Å; Y23-Y30 AromaticContact CE1-CE1 3.89Å; Y23-Y30 HydrophobicContact CE1-CE1 3.89Å; Y23-Y30 AromaticContact CE1-CE2 3.79Å; Y23-Y30 HydrophobicContact CE1-CE2 3.79Å; Y23-Y30 HydrophobicContact CE1-CG 4.42Å; Y23-Y30 AromaticContact CE1-CZ 3.65Å; Y23-Y30 HydrophobicContact CE2-CD2 4.4Å; Y23-Y30 AromaticContact CZ-CD1 3.92Å; Y23-Y30 AromaticContact CZ-CD2 3.87Å; Y23-Y30 AromaticContact CZ-CG 3.87Å; Y23-Y30 WeakPolarHBondContact OH-CD1 3.38Å; Y23-Y30 WeakPolarHBondContact OH-CE1 3.44Å; Y23-Y30 VanDerWaalsContact OH-CG 3.32Å; Y23-Y48 AromaticContact CD2-CD1 3.68Å; Y23-Y48 HydrophobicContact CD2-CD1 3.68Å; Y23-Y48 AromaticContact CD2-CD2 3.91Å; Y23-Y48 HydrophobicContact CD2-CD2 3.91Å; Y23-Y48 AromaticContact CD2-CE1 3.9Å; Y23-Y48 HydrophobicContact CD2-CE1 3.9Å; Y23-Y48 HydrophobicContact CD2-CE2 4.14Å; Y23-Y48 AromaticContact CD2-CG 3.7Å; Y23-Y48 HydrophobicContact CD2-CG 3.7Å; Y23-Y48 HydrophobicContact CE2-CD1 4.2Å; Y23-Y48 HydrophobicContact CE2-CG 4.19Å; Y23-Y48 HydrophobicContact CG-CD1 4.22Å; Y23-Y48 HydrophobicContact CG-CE1 4Å; Y23-I188 HydrophobicContact CD1-CB 4.45Å; Y23-I188 HydrophobicContact CD1-CD1 3.38Å; Y23-I188 HydrophobicContact CD1-CG2 4.36Å; Y23-I188 HydrophobicContact CD2-CD1 4.23Å; Y23-I188 HydrophobicContact CE1-CD1 3.77Å; Y23-I188 HydrophobicContact CG-CD1 3.62Å; Y23-A195 HydrophobicContact CD1-CB 3.62Å; Y23-A195 HydrophobicContact CE1-CB 3.68Å; Y23-E196 PolarHBondContact OH-O 2.86Å; Y23-H197 HydrophobicContact CE1-CB 4.2Å; Y23-H197 HydrophobicContact CE2-CB 4.14Å; Y23-H197 AromaticContact CE2-CD2 3.5Å; Y23-H197 AromaticContact CZ-CD2 3.78Å |
| 24 | C | 67 | Low | 58.8 | Low | 41 Ų | 41 | 85.9 Ų | 85.9 | 28% | 0.277 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.2 | -25.3 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | N21 D22 C190 | N21-C24 VanDerWaalsContact O-CB 3.26Å; N21-C24 WeakPolarHBondContact O-CB 3.36Å; N21-C24 PolarHBondContact O-N 2.85Å; D22-C24 VanDerWaalsContact C-N 3.25Å; D22-C24 PolarHBondContact O-N 2.81Å; C24-C190 HydrophobicContact CB-CB 3.62Å; C24-C190 WeakPolarHBondContact CB-SG 3.3Å; C24-C190 WeakPolarHBondContact SG-CA 3.3Å; C24-C190 WeakPolarHBondContact SG-CB 3.31Å; C24-C190 CovalentContact SG-SG 2.02Å; C24-C190 PolarHBondContact SG-SG 2.88Å |
| 25 | E | 64.4 | Low | 60.5 | Low | 123 Ų | 123 | 85.8 Ų | 85.8 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -94.2 | -17.2 | -179.2 | -62.4 | -168.3 | 174.5 | 0 | 0 | 112.5 | C20 D22 Y23 | C20-E25 PolarHBondContact SG-OE1 2.86Å; D22-E25 PolarHBondContact O-N 2.83Å; D22-E25 VanDerWaalsContact O-N 3.14Å; Y23-E25 VanDerWaalsContact C-N 3.32Å; Y23-E25 PolarHBondContact O-N 2.85Å |
| 26 | R | 63.9 | Low | 62.1 | Low | 119 Ų | 119 | 78.1 Ų | 78.1 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | trans | -129.1 | 85 | -174.5 | -68 | -168.2 | -170.3 | 178.6 | 8 | 112 | D22 D28 L29 | D22-R26 PolarHBondContact O-N 2.85Å; D22-R26 VanDerWaalsContact O-N 3.1Å; R26-D28 VanDerWaalsContact C-OD1 3.27Å; R26-D28 VanDerWaalsContact CA-OD1 3.28Å; R26-D28 WeakPolarHBondContact CA-OD1 3.46Å; R26-D28 VanDerWaalsContact CB-OD1 3.22Å; R26-D28 WeakPolarHBondContact CB-OD1 3.39Å; R26-D28 PolarHBondContact O-N 2.86Å; R26-D28 VanDerWaalsContact O-N 3.09Å; R26-L29 HydrophobicContact CB-CD1 3.71Å; R26-L29 HydrophobicContact CB-CG 3.74Å; R26-L29 WeakPolarHBondContact O-CB 3.41Å; R26-L29 PolarHBondContact O-N 3.49Å | ||
| 27 | P | 59.2 | Low | 63.9 | Low | 92 Ų | 92 | 72.8 Ų | 72.8 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -59.6 | -19.3 | 175.8 | -20.8 | 31.6 | 0 | 0 | 0 | 113.7 | L29 Y30 | P27-L29 PolarHBondContact O-N 2.62Å; P27-Y30 HydrophobicContact CB-CD2 4.29Å; P27-Y30 HydrophobicContact CB-CE2 4.31Å; P27-Y30 WeakPolarHBondContact O-CB 3.46Å; P27-Y30 WeakPolarHBondContact O-CD2 3.39Å; P27-Y30 PolarHBondContact O-N 2.66Å |
| 28 | D | 57.5 | Low | 66 | Low | 115 Ų | 115 | 68.2 Ų | 68.2 | 62% | 0.615 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -65 | -14.3 | 171.7 | 54.6 | -60.8 | 0 | 0 | 0 | 113.5 | R26 Y30 | R26-D28 VanDerWaalsContact C-OD1 3.27Å; R26-D28 VanDerWaalsContact CA-OD1 3.28Å; R26-D28 WeakPolarHBondContact CA-OD1 3.46Å; R26-D28 VanDerWaalsContact CB-OD1 3.22Å; R26-D28 WeakPolarHBondContact CB-OD1 3.39Å; R26-D28 PolarHBondContact O-N 2.86Å; R26-D28 VanDerWaalsContact O-N 3.09Å; D28-Y30 VanDerWaalsContact C-N 3.35Å |
| 29 | L | 57.3 | Low | 68.3 | Low | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -83.1 | -5 | 173.7 | -59.9 | 177.5 | 0 | 0 | 0 | 113.7 | Y23 R26 P27 Y32 | Y23-L29 HydrophobicContact CD2-CB 4.06Å; Y23-L29 HydrophobicContact CE2-CB 4.28Å; R26-L29 HydrophobicContact CB-CD1 3.71Å; R26-L29 HydrophobicContact CB-CG 3.74Å; R26-L29 WeakPolarHBondContact O-CB 3.41Å; R26-L29 PolarHBondContact O-N 3.49Å; P27-L29 PolarHBondContact O-N 2.62Å; L29-Y32 HydrophobicContact CD2-CD2 3.41Å; L29-Y32 VanDerWaalsContact CD2-CD2 3.41Å; L29-Y32 HydrophobicContact CD2-CE2 3.76Å; L29-Y32 HydrophobicContact CD2-CG 4.29Å; L29-Y32 WeakPolarHBondContact O-CB 3.43Å; L29-Y32 PolarHBondContact O-N 2.82Å |
| 30 | Y | 57 | Low | 70.7 | Confident | 107 Ų | 107 | 68 Ų | 68 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -39.7 | -178.1 | -87.1 | -106.7 | 0 | 0 | 0 | 114.5 | Y23 P27 D28 A195 | Y23-Y30 HydrophobicContact CD1-CE2 4.37Å; Y23-Y30 HydrophobicContact CE1-CD1 4.27Å; Y23-Y30 HydrophobicContact CE1-CD2 4.15Å; Y23-Y30 AromaticContact CE1-CE1 3.89Å; Y23-Y30 HydrophobicContact CE1-CE1 3.89Å; Y23-Y30 AromaticContact CE1-CE2 3.79Å; Y23-Y30 HydrophobicContact CE1-CE2 3.79Å; Y23-Y30 HydrophobicContact CE1-CG 4.42Å; Y23-Y30 AromaticContact CE1-CZ 3.65Å; Y23-Y30 HydrophobicContact CE2-CD2 4.4Å; Y23-Y30 AromaticContact CZ-CD1 3.92Å; Y23-Y30 AromaticContact CZ-CD2 3.87Å; Y23-Y30 AromaticContact CZ-CG 3.87Å; Y23-Y30 WeakPolarHBondContact OH-CD1 3.38Å; Y23-Y30 WeakPolarHBondContact OH-CE1 3.44Å; Y23-Y30 VanDerWaalsContact OH-CG 3.32Å; P27-Y30 HydrophobicContact CB-CD2 4.29Å; P27-Y30 HydrophobicContact CB-CE2 4.31Å; P27-Y30 WeakPolarHBondContact O-CB 3.46Å; P27-Y30 WeakPolarHBondContact O-CD2 3.39Å; P27-Y30 PolarHBondContact O-N 2.66Å; D28-Y30 VanDerWaalsContact C-N 3.35Å; Y30-A195 VanDerWaalsContact OH-CB 3.28Å; Y30-A195 WeakPolarHBondContact OH-CB 3.45Å |
| 31 | P | 59.4 | Low | 72.7 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 70% | 0.695 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 29 | 173.5 | 38.3 | -33.8 | 0 | 0 | 0 | 112.1 | E33 | P31-E33 PolarHBondContact O-N 2.87Š|
| 32 | Y | 66.5 | Low | 74.4 | Confident | 35 Ų | 35 | 69 Ų | 69 | 14% | 0.137 | 36% | 0.355 | C | S | . | . | trans | -66.1 | 85.9 | -175.9 | -168.4 | -88.6 | 0 | 0 | 0 | 110.4 | L29 I34 I46 H47 K248 | L29-Y32 HydrophobicContact CD2-CD2 3.41Å; L29-Y32 VanDerWaalsContact CD2-CD2 3.41Å; L29-Y32 HydrophobicContact CD2-CE2 3.76Å; L29-Y32 HydrophobicContact CD2-CG 4.29Å; L29-Y32 WeakPolarHBondContact O-CB 3.43Å; L29-Y32 PolarHBondContact O-N 2.82Å; Y32-I34 HydrophobicContact CE1-CD1 3.88Å; Y32-I34 HydrophobicContact CE1-CG1 4.24Å; Y32-I34 HydrophobicContact CE2-CD1 4.32Å; Y32-I46 HydrophobicContact CE1-CG2 4.24Å; Y32-H47 VanDerWaalsContact O-CA 3.24Å; Y32-H47 WeakPolarHBondContact O-CA 3.37Å; Y32-K248 HydrophobicContact CE2-CD 4.39Å; Y32-K248 VanDerWaalsContact CZ-NZ 3.3Å; Y32-K248 WeakPolarHBondContact OH-CD 3.38Å; Y32-K248 PolarHBondContact OH-NZ 3.05Å | ||
| 33 | E | 82.7 | Confident | 76 | Confident | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.4 | 165.2 | 174.1 | 174.8 | -156.3 | 0 | 0 | 107.5 | P31 V35 R43 I46 H47 | P31-E33 PolarHBondContact O-N 2.87Å; E33-V35 HydrophobicContact CG-CG2 4.17Å; E33-R43 IonicContact OE1-CZ 3.25Å; E33-R43 IonicContact OE1-NE 2.75Å; E33-R43 IonicContact OE1-NH2 2.98Å; E33-R43 PolarHBondContact OE1-NH2 3.07Å; E33-R43 IonicContact OE2-NH2 3.8Å; E33-I46 CarbonylContact C-O 3.59Å; E33-I46 WeakPolarHBondContact CA-O 3.49Å; E33-H47 VanDerWaalsContact CG-CE1 3.42Å; E33-H47 WeakPolarHBondContact CG-CE1 3.41Å; E33-H47 IonicContact OE1-CE1 4Å; E33-H47 IonicContact OE1-NE2 3.61Å |
| 34 | I | 80 | Confident | 77.3 | Confident | 20 Ų | 20 | 65.8 Ų | 65.8 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 107.9 | 171.8 | -49.4 | 175.6 | 0 | 0 | 0 | 107.5 | Y32 I36 S45 I46 K248 | Y32-I34 HydrophobicContact CE1-CD1 3.88Å; Y32-I34 HydrophobicContact CE1-CG1 4.24Å; Y32-I34 HydrophobicContact CE2-CD1 4.32Å; I34-I36 HydrophobicContact CB-CD1 4.37Å; I34-I36 HydrophobicContact CG2-CD1 3.7Å; I34-I36 PolarHBondContact O-N 2.75Å; I34-S45 CarbonylContact O-C 3.58Å; I34-S45 WeakPolarHBondContact O-CA 3.29Å; I34-I46 HydrophobicContact CB-CB 4.49Å; I34-I46 PolarHBondContact N-O 3.46Å; I34-I46 PolarHBondContact O-N 3.16Å; I34-K248 HydrophobicContact CD1-CD 3.43Å; I34-K248 VanDerWaalsContact CD1-CD 3.43Å; I34-K248 HydrophobicContact CD1-CG 4.41Å |
| 35 | V | 86.5 | Confident | 78.3 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 26% | 0.255 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 111 | 172.8 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | E33 E38 R43 | E33-V35 HydrophobicContact CG-CG2 4.17Å; V35-E38 HydrophobicContact CG1-CB 3.8Å; V35-R43 HydrophobicContact CG1-CG 4.41Å |
| 36 | I | 81 | Confident | 79.3 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -55.2 | 180 | -50.5 | -62.3 | 0 | 0 | 0 | 108.4 | I34 Y44 I46 K245 I250 | I34-I36 HydrophobicContact CB-CD1 4.37Å; I34-I36 HydrophobicContact CG2-CD1 3.7Å; I34-I36 PolarHBondContact O-N 2.75Å; I36-Y44 HydrophobicContact CB-CD1 3.89Å; I36-Y44 HydrophobicContact CG1-CD1 3.89Å; I36-Y44 HydrophobicContact CG1-CE1 4.07Å; I36-Y44 HydrophobicContact CG2-CD1 4.44Å; I36-Y44 PolarHBondContact N-O 3.41Å; I36-I46 HydrophobicContact CD1-CD1 3.92Å; I36-I46 HydrophobicContact CD1-CG1 4.36Å; I36-I46 HydrophobicContact CG1-CD1 3.99Å; I36-I46 HydrophobicContact CG1-CG1 4.08Å; I36-K245 PolarHBondContact O-NZ 3.21Å; I36-I250 HydrophobicContact CD1-CG2 4.47Å |
| 37 | I | 86.6 | Confident | 80.4 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 14% | 0.138 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.7 | -177.2 | -57.6 | 170.6 | 0 | 0 | 0 | 108.2 | Y42 R43 Y44 D256 D259 | I37-Y42 HydrophobicContact CB-CD1 4.48Å; I37-Y42 HydrophobicContact CB-CE1 4.33Å; I37-Y42 HydrophobicContact CG2-CD1 4.01Å; I37-Y42 HydrophobicContact CG2-CE1 4.27Å; I37-R43 CarbonylContact O-C 3.59Å; I37-R43 WeakPolarHBondContact O-CA 3.45Å; I37-Y44 PolarHBondContact N-O 3.29Å; I37-Y44 PolarHBondContact O-N 2.95Å; I37-D256 WeakPolarHBondContact CD1-O 3.31Å; I37-D259 HydrophobicContact CD1-CB 3.86Å |
| 38 | E | 91.5 | Very high | 81.3 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 127.5 | 172.1 | -177.9 | 164.5 | -153.3 | 0 | 0 | 109.3 | V35 Y42 R43 W205 | V35-E38 HydrophobicContact CG1-CB 3.8Å; E38-Y42 CarbonylContact C-O 3.6Å; E38-Y42 WeakPolarHBondContact CA-O 3.42Å; E38-R43 HydrophobicContact CG-CB 4.48Å; E38-R43 HydrophobicContact CG-CG 4.48Å; E38-R43 IonicContact OE1-CZ 3.08Å; E38-R43 IonicContact OE1-NH1 3.45Å; E38-R43 PolarHBondContact OE1-NH1 3.11Å; E38-R43 IonicContact OE2-CZ 2.72Å; E38-R43 IonicContact OE2-NH1 3.87Å; E38-R43 PolarHBondContact OE2-NH1 3.47Å; E38-W205 HydrophobicContact CG-CZ2 3.96Å; E38-W205 PolarHBondContact OE1-NE1 3.32Å |
| 39 | N | 92.9 | Very high | 82.4 | Confident | 75 Ų | 75 | 46.1 Ų | 46.1 | 40% | 0.401 | 24% | 0.235 | S | C | . | . | trans | -140.7 | -174.6 | 170.1 | 68.9 | 46.1 | 0 | 0 | 0 | 109.6 | T41 Y42 W205 | N39-T41 PolarHBondContact O-N 2.85Å; N39-T41 PolarHBondContact OD1-N 2.87Å; N39-T41 PolarHBondContact OD1-OG1 3.05Å; N39-T41 VanDerWaalsContact OD1-OG1 3.05Å; N39-Y42 PolarHBondContact N-O 3.3Å; N39-Y42 PolarHBondContact OD1-N 3.17Å; N39-W205 WeakPolarHBondContact O-CH2 2.98Å; N39-W205 WeakPolarHBondContact O-CZ2 3.19Å | ||
| 40 | D | 92.9 | Very high | 83.9 | Confident | 152 Ų | 152 | 45.3 Ų | 45.3 | 81% | 0.813 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -63.6 | -15.2 | -175.1 | -65.1 | -16 | 0 | 0 | 0 | 115.4 | H56 | D40-H56 PolarHBondContact O-CD2 3.11Å; D40-H56 VanDerWaalsContact O-CD2 3.31Å |
| 41 | T | 94.8 | Very high | 85.4 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 42% | 0.417 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -128 | -15.7 | -173.4 | 57.8 | 0 | 0 | 0 | 0 | 114.5 | N39 Q55 H56 | N39-T41 PolarHBondContact O-N 2.85Å; N39-T41 PolarHBondContact OD1-N 2.87Å; N39-T41 PolarHBondContact OD1-OG1 3.05Å; N39-T41 VanDerWaalsContact OD1-OG1 3.05Å; T41-Q55 WeakPolarHBondContact O-CA 3.34Å; T41-H56 PolarHBondContact O-N 2.93Å |
| 42 | Y | 95.3 | Very high | 87.1 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 11% | 0.114 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 132.4 | -170.6 | -177.3 | -91.7 | 0 | 0 | 0 | 111.5 | I37 E38 N39 R53 I54 Q55 W205 D256 | I37-Y42 HydrophobicContact CB-CD1 4.48Å; I37-Y42 HydrophobicContact CB-CE1 4.33Å; I37-Y42 HydrophobicContact CG2-CD1 4.01Å; I37-Y42 HydrophobicContact CG2-CE1 4.27Å; E38-Y42 CarbonylContact C-O 3.6Å; E38-Y42 WeakPolarHBondContact CA-O 3.42Å; N39-Y42 PolarHBondContact N-O 3.3Å; N39-Y42 PolarHBondContact OD1-N 3.17Å; Y42-R53 HydrophobicContact CE2-CG 3.62Å; Y42-R53 PolarHBondContact OH-NE 2.96Å; Y42-I54 CarbonylContact C-O 3.59Å; Y42-I54 WeakPolarHBondContact CA-O 3.33Å; Y42-Q55 HydrophobicContact CD2-CG 3.84Å; Y42-Q55 HydrophobicContact CE2-CG 4.02Å; Y42-W205 WeakPolarHBondContact O-CH2 3.15Å; Y42-D256 WeakPolarHBondContact OH-CB 3.4Å; Y42-D256 PolarHBondContact OH-OD2 2.94Å |
| 43 | R | 94.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 133.1 | 171.3 | 176.4 | 175.3 | 178.1 | 126.6 | -5.6 | 109.9 | E33 V35 I37 E38 R53 I54 W205 | E33-R43 IonicContact OE1-CZ 3.25Å; E33-R43 IonicContact OE1-NE 2.75Å; E33-R43 IonicContact OE1-NH2 2.98Å; E33-R43 PolarHBondContact OE1-NH2 3.07Å; E33-R43 IonicContact OE2-NH2 3.8Å; V35-R43 HydrophobicContact CG1-CG 4.41Å; I37-R43 CarbonylContact O-C 3.59Å; I37-R43 WeakPolarHBondContact O-CA 3.45Å; E38-R43 HydrophobicContact CG-CB 4.48Å; E38-R43 HydrophobicContact CG-CG 4.48Å; E38-R43 IonicContact OE1-CZ 3.08Å; E38-R43 IonicContact OE1-NH1 3.45Å; E38-R43 PolarHBondContact OE1-NH1 3.11Å; E38-R43 IonicContact OE2-CZ 2.72Å; E38-R43 IonicContact OE2-NH1 3.87Å; E38-R43 PolarHBondContact OE2-NH1 3.47Å; R43-R53 CarbonylContact O-C 3.49Å; R43-R53 WeakPolarHBondContact O-CA 3.1Å; R43-I54 HydrophobicContact CB-CB 4.27Å; R43-I54 HydrophobicContact CB-CG1 4.48Å; R43-I54 PolarHBondContact N-O 3.42Å; R43-I54 PolarHBondContact O-N 3.29Å; R43-W205 HydrophobicContact CB-CD2 4.28Å; R43-W205 HydrophobicContact CB-CE3 4.29Å; R43-W205 HydrophobicContact CB-CH2 3.5Å; R43-W205 HydrophobicContact CB-CZ2 3.48Å; R43-W205 VanDerWaalsContact CB-CZ2 3.48Å; R43-W205 HydrophobicContact CB-CZ3 3.91Å; R43-W205 HydrophobicContact CG-CZ2 4.37Å |
| 44 | Y | 91.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.6 | 172.1 | -176.1 | -107.1 | 0 | 0 | 0 | 109.5 | I36 I37 I46 S51 R53 L254 | I36-Y44 HydrophobicContact CB-CD1 3.89Å; I36-Y44 HydrophobicContact CG1-CD1 3.89Å; I36-Y44 HydrophobicContact CG1-CE1 4.07Å; I36-Y44 HydrophobicContact CG2-CD1 4.44Å; I36-Y44 PolarHBondContact N-O 3.41Å; I37-Y44 PolarHBondContact N-O 3.29Å; I37-Y44 PolarHBondContact O-N 2.95Å; Y44-I46 HydrophobicContact CE1-CD1 4.32Å; Y44-I46 HydrophobicContact CE1-CG1 4.02Å; Y44-S51 WeakPolarHBondContact OH-CB 3.27Å; Y44-R53 HydrophobicContact CD2-CB 4.15Å; Y44-L254 HydrophobicContact CE2-CD2 3.96Å; Y44-L254 WeakPolarHBondContact OH-CD1 3.35Å |
| 45 | S | 89.7 | Confident | 90.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 147.6 | -177.2 | 57 | 0 | 0 | 0 | 0 | 111.2 | I34 H47 S51 M52 | I34-S45 CarbonylContact O-C 3.58Å; I34-S45 WeakPolarHBondContact O-CA 3.29Å; S45-H47 PolarHBondContact OG-NE2 2.82Å; S45-S51 CarbonylContact O-C 3.59Å; S45-S51 WeakPolarHBondContact O-CA 3.24Å; S45-M52 PolarHBondContact N-O 3.21Å; S45-M52 PolarHBondContact O-N 3.17Å; S45-M52 VanDerWaalsContact OG-CE 3.25Å; S45-M52 WeakPolarHBondContact OG-CE 3.39Å; S45-M52 PolarHBondContact OG-O 2.86Å |
| 46 | I | 84.8 | Confident | 90.6 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.9 | 177.5 | -65.3 | 176.7 | 0 | 0 | 0 | 108 | Y32 E33 I34 I36 Y44 I217 I250 | Y32-I46 HydrophobicContact CE1-CG2 4.24Å; E33-I46 CarbonylContact C-O 3.59Å; E33-I46 WeakPolarHBondContact CA-O 3.49Å; I34-I46 HydrophobicContact CB-CB 4.49Å; I34-I46 PolarHBondContact N-O 3.46Å; I34-I46 PolarHBondContact O-N 3.16Å; I36-I46 HydrophobicContact CD1-CD1 3.92Å; I36-I46 HydrophobicContact CD1-CG1 4.36Å; I36-I46 HydrophobicContact CG1-CD1 3.99Å; I36-I46 HydrophobicContact CG1-CG1 4.08Å; Y44-I46 HydrophobicContact CE1-CD1 4.32Å; Y44-I46 HydrophobicContact CE1-CG1 4.02Å; I46-I217 HydrophobicContact CB-CD1 4.34Å; I46-I217 HydrophobicContact CG1-CD1 4.19Å; I46-I217 HydrophobicContact CG2-CD1 3.67Å; I46-I250 HydrophobicContact CD1-CB 3.73Å; I46-I250 HydrophobicContact CD1-CD1 4.5Å; I46-I250 HydrophobicContact CD1-CG2 3.3Å |
| 47 | H | 86.2 | Confident | 91.2 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 174.5 | 178.1 | -60.9 | -94.4 | 0 | 0 | 0 | 110.1 | Y32 E33 S45 N49 Y50 I199 | Y32-H47 VanDerWaalsContact O-CA 3.24Å; Y32-H47 WeakPolarHBondContact O-CA 3.37Å; E33-H47 VanDerWaalsContact CG-CE1 3.42Å; E33-H47 WeakPolarHBondContact CG-CE1 3.41Å; E33-H47 IonicContact OE1-CE1 4Å; E33-H47 IonicContact OE1-NE2 3.61Å; S45-H47 PolarHBondContact OG-NE2 2.82Å; H47-N49 PolarHBondContact O-N 2.97Å; H47-Y50 CarbonylContact C-O 3.55Å; H47-Y50 WeakPolarHBondContact CA-O 3.28Å; H47-Y50 WeakPolarHBondContact CB-O 3.45Å; H47-Y50 PolarHBondContact N-O 2.91Å; H47-Y50 PolarHBondContact O-N 3.48Å; H47-Y50 VanDerWaalsContact O-O 3.09Å; H47-I199 HydrophobicContact CB-CD1 3.47Å; H47-I199 VanDerWaalsContact CB-CD1 3.47Å; H47-I199 HydrophobicContact CB-CG1 3.75Å; H47-I199 HydrophobicContact CB-CG2 4.49Å |
| 48 | Y | 78.2 | Confident | 91.7 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 122.7 | 172 | -175.8 | -103.1 | 0 | 0 | 0 | 110.3 | N21 Y23 Y50 I188 H197 | N21-Y48 PolarHBondContact ND2-OH 2.83Å; N21-Y48 PolarHBondContact OD1-OH 3.41Å; Y23-Y48 AromaticContact CD2-CD1 3.68Å; Y23-Y48 HydrophobicContact CD2-CD1 3.68Å; Y23-Y48 AromaticContact CD2-CD2 3.91Å; Y23-Y48 HydrophobicContact CD2-CD2 3.91Å; Y23-Y48 AromaticContact CD2-CE1 3.9Å; Y23-Y48 HydrophobicContact CD2-CE1 3.9Å; Y23-Y48 HydrophobicContact CD2-CE2 4.14Å; Y23-Y48 AromaticContact CD2-CG 3.7Å; Y23-Y48 HydrophobicContact CD2-CG 3.7Å; Y23-Y48 HydrophobicContact CE2-CD1 4.2Å; Y23-Y48 HydrophobicContact CE2-CG 4.19Å; Y23-Y48 HydrophobicContact CG-CD1 4.22Å; Y23-Y48 HydrophobicContact CG-CE1 4Å; Y48-Y50 PolarHBondContact O-N 3.43Å; Y48-I188 HydrophobicContact CD1-CD1 3.93Å; Y48-I188 HydrophobicContact CE1-CD1 3.54Å; Y48-H197 VanDerWaalsContact CB-NE2 3.28Å; Y48-H197 WeakPolarHBondContact CB-NE2 3.32Å |
| 49 | N | 79.9 | Confident | 91.9 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 20% | 0.198 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 0.6 | -176.2 | -68.6 | -6.2 | 0 | 0 | 0 | 117.2 | H47 A216 I217 | H47-N49 PolarHBondContact O-N 2.97Å; N49-A216 CarbonylContact O-C 3.49Å; N49-A216 VanDerWaalsContact O-CA 3.3Å; N49-A216 WeakPolarHBondContact O-CA 3.47Å; N49-I217 PolarHBondContact O-N 2.92Å |
| 50 | Y | 88.9 | Confident | 92 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 146.3 | -174.6 | -78.8 | -91.1 | 0 | 0 | 0 | 112.5 | H47 Y48 Y86 I184 I199 F214 E215 A216 I217 | H47-Y50 CarbonylContact C-O 3.55Å; H47-Y50 WeakPolarHBondContact CA-O 3.28Å; H47-Y50 WeakPolarHBondContact CB-O 3.45Å; H47-Y50 PolarHBondContact N-O 2.91Å; H47-Y50 PolarHBondContact O-N 3.48Å; H47-Y50 VanDerWaalsContact O-O 3.09Å; Y48-Y50 PolarHBondContact O-N 3.43Å; Y50-Y86 HydrophobicContact CD2-CD1 4.5Å; Y50-Y86 HydrophobicContact CD2-CE1 4.01Å; Y50-Y86 HydrophobicContact CD2-CE2 4.21Å; Y50-Y86 AromaticContact CD2-CZ 3.86Å; Y50-Y86 AromaticContact CE2-CD1 3.93Å; Y50-Y86 HydrophobicContact CE2-CD1 3.93Å; Y50-Y86 AromaticContact CE2-CD2 3.67Å; Y50-Y86 HydrophobicContact CE2-CD2 3.67Å; Y50-Y86 AromaticContact CE2-CE1 3.83Å; Y50-Y86 HydrophobicContact CE2-CE1 3.83Å; Y50-Y86 AromaticContact CE2-CE2 3.61Å; Y50-Y86 HydrophobicContact CE2-CE2 3.61Å; Y50-Y86 AromaticContact CE2-CG 3.84Å; Y50-Y86 HydrophobicContact CE2-CG 3.84Å; Y50-Y86 AromaticContact CE2-CZ 3.67Å; Y50-Y86 PolarHBondContact OH-N 2.97Å; Y50-I184 HydrophobicContact CD1-CD1 4.2Å; Y50-I184 HydrophobicContact CD2-CD1 4.46Å; Y50-I184 HydrophobicContact CE1-CD1 4.31Å; Y50-I184 HydrophobicContact CG-CD1 4.27Å; Y50-I199 HydrophobicContact CD2-CD1 4.2Å; Y50-I199 HydrophobicContact CG-CD1 4.07Å; Y50-F214 HydrophobicContact CD1-CB 4.08Å; Y50-E215 CarbonylContact C-O 3.48Å; Y50-E215 VanDerWaalsContact CA-O 3.23Å; Y50-E215 WeakPolarHBondContact CA-O 3.45Å; Y50-A216 HydrophobicContact CE1-CB 4.27Å; Y50-I217 WeakPolarHBondContact O-CD1 3.1Å |
| 51 | S | 90.3 | Very high | 92 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 146 | 160.5 | 47.5 | 0 | 0 | 0 | 0 | 108.8 | Y44 S45 F214 E215 I217 | Y44-S51 WeakPolarHBondContact OH-CB 3.27Å; S45-S51 CarbonylContact O-C 3.59Å; S45-S51 WeakPolarHBondContact O-CA 3.24Å; S51-F214 VanDerWaalsContact O-CA 3.29Å; S51-F214 WeakPolarHBondContact O-CA 3.08Å; S51-E215 PolarHBondContact N-O 3.36Å; S51-E215 PolarHBondContact O-N 2.94Å; S51-E215 PolarHBondContact OG-O 3.12Å; S51-I217 VanDerWaalsContact N-CD1 3.31Å |
| 52 | M | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.3 | 170.1 | 178.5 | 179.7 | 64.4 | 0 | 0 | 109.2 | S45 I54 I199 V201 V212 E213 F214 | S45-M52 PolarHBondContact N-O 3.21Å; S45-M52 PolarHBondContact O-N 3.17Å; S45-M52 VanDerWaalsContact OG-CE 3.25Å; S45-M52 WeakPolarHBondContact OG-CE 3.39Å; S45-M52 PolarHBondContact OG-O 2.86Å; M52-I54 HydrophobicContact CE-CD1 3.98Å; M52-I54 HydrophobicContact CE-CG1 4.47Å; M52-I54 HydrophobicContact CG-CD1 4.49Å; M52-I54 HydrophobicContact CG-CG1 4.05Å; M52-I54 HydrophobicContact SD-CD1 4.09Å; M52-I54 HydrophobicContact SD-CG1 4.29Å; M52-I199 HydrophobicContact SD-CG2 4.28Å; M52-V201 HydrophobicContact SD-CG2 4.31Å; M52-V212 HydrophobicContact CG-CG1 3.83Å; M52-V212 HydrophobicContact SD-CG1 4.05Å; M52-E213 CarbonylContact C-O 3.55Å; M52-E213 WeakPolarHBondContact CA-O 3.03Å; M52-F214 HydrophobicContact CB-CD1 4.04Å; M52-F214 HydrophobicContact CB-CE1 4.05Å; M52-F214 HydrophobicContact CG-CD1 4.13Å; M52-F214 HydrophobicContact CG-CE1 3.77Å; M52-F214 HydrophobicContact CG-CZ 4.36Å; M52-F214 HydrophobicContact SD-CE1 3.63Å; M52-F214 HydrophobicContact SD-CZ 4.03Å |
| 53 | R | 95.7 | Very high | 92.1 | Very high | 40 Ų | 40 | 34.5 Ų | 34.5 | 15% | 0.151 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.2 | 170.2 | -174.6 | -172.3 | -67.6 | 132.8 | -0.8 | 108.8 | Y42 R43 Y44 Q55 V212 E213 E215 D256 | Y42-R53 HydrophobicContact CE2-CG 3.62Å; Y42-R53 PolarHBondContact OH-NE 2.96Å; R43-R53 CarbonylContact O-C 3.49Å; R43-R53 WeakPolarHBondContact O-CA 3.1Å; Y44-R53 HydrophobicContact CD2-CB 4.15Å; R53-Q55 HydrophobicContact CG-CG 4.05Å; R53-V212 CarbonylContact O-C 3.56Å; R53-V212 WeakPolarHBondContact O-CA 3.24Å; R53-E213 HydrophobicContact CB-CB 4.42Å; R53-E213 PolarHBondContact N-O 2.81Å; R53-E213 IonicContact NH1-OE2 3.39Å; R53-E213 PolarHBondContact NH1-OE2 3.34Å; R53-E213 VanDerWaalsContact NH1-OE2 3.08Å; R53-E213 PolarHBondContact O-N 3.47Å; R53-E215 IonicContact NH1-OE1 3.8Å; R53-D256 IonicContact CZ-OD2 3.57Å; R53-D256 VanDerWaalsContact CZ-OD2 3.25Å; R53-D256 IonicContact NE-OD2 2.59Å; R53-D256 PolarHBondContact NE-OD2 2.82Å; R53-D256 IonicContact NH2-OD2 3.49Å; R53-D256 PolarHBondContact NH2-OD2 3.33Å |
| 54 | I | 98 | Very high | 92 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.7 | 174.4 | -43.3 | -179.7 | 0 | 0 | 0 | 109.3 | Y42 R43 M52 V201 W205 T210 L211 V212 | Y42-I54 CarbonylContact C-O 3.59Å; Y42-I54 WeakPolarHBondContact CA-O 3.33Å; R43-I54 HydrophobicContact CB-CB 4.27Å; R43-I54 HydrophobicContact CB-CG1 4.48Å; R43-I54 PolarHBondContact N-O 3.42Å; R43-I54 PolarHBondContact O-N 3.29Å; M52-I54 HydrophobicContact CE-CD1 3.98Å; M52-I54 HydrophobicContact CE-CG1 4.47Å; M52-I54 HydrophobicContact CG-CD1 4.49Å; M52-I54 HydrophobicContact CG-CG1 4.05Å; M52-I54 HydrophobicContact SD-CD1 4.09Å; M52-I54 HydrophobicContact SD-CG1 4.29Å; I54-V201 HydrophobicContact CD1-CG1 4.1Å; I54-W205 HydrophobicContact CB-CD2 4.29Å; I54-W205 HydrophobicContact CB-CE3 3.65Å; I54-W205 HydrophobicContact CB-CZ3 4.1Å; I54-W205 HydrophobicContact CD1-CB 3.99Å; I54-W205 HydrophobicContact CD1-CD2 4.07Å; I54-W205 HydrophobicContact CD1-CE3 4.31Å; I54-W205 HydrophobicContact CD1-CG 3.94Å; I54-W205 HydrophobicContact CG2-CB 4.17Å; I54-W205 HydrophobicContact CG2-CD2 4.06Å; I54-W205 HydrophobicContact CG2-CE3 3.31Å; I54-W205 HydrophobicContact CG2-CG 4.44Å; I54-W205 HydrophobicContact CG2-CZ3 4.07Å; I54-T210 HydrophobicContact CG2-CG2 3.34Å; I54-L211 CarbonylContact C-O 3.57Å; I54-L211 WeakPolarHBondContact CA-O 3.28Å; I54-V212 HydrophobicContact CG1-CG1 4.29Å; I54-V212 HydrophobicContact CG1-CG2 4.27Å; I54-V212 HydrophobicContact CG2-CG2 3.93Å |
| 55 | Q | 97.8 | Very high | 92.2 | Very high | 50 Ų | 50 | 42.2 Ų | 42.2 | 23% | 0.234 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.7 | -179.1 | -52.4 | -171 | 94 | 0 | 0 | 110.1 | T41 Y42 R53 Q58 T210 L211 | T41-Q55 WeakPolarHBondContact O-CA 3.34Å; Y42-Q55 HydrophobicContact CD2-CG 3.84Å; Y42-Q55 HydrophobicContact CE2-CG 4.02Å; R53-Q55 HydrophobicContact CG-CG 4.05Å; Q55-Q58 HydrophobicContact CB-CG 3.73Å; Q55-Q58 WeakPolarHBondContact O-CG 3.01Å; Q55-T210 CarbonylContact O-C 3.53Å; Q55-T210 WeakPolarHBondContact O-CA 3.24Å; Q55-T210 WeakPolarHBondContact O-CG2 3.49Å; Q55-L211 PolarHBondContact N-O 2.59Å; Q55-L211 PolarHBondContact O-N 2.75Å |
| 56 | H | 96.2 | Very high | 92.5 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -85.9 | 167.9 | 172.4 | -68.5 | -39.8 | 0 | 0 | 0 | 112.2 | D40 T41 Q58 W205 K207 G209 T210 | D40-H56 PolarHBondContact O-CD2 3.11Å; D40-H56 VanDerWaalsContact O-CD2 3.31Å; T41-H56 PolarHBondContact O-N 2.93Å; H56-Q58 PolarHBondContact O-N 3.48Å; H56-Q58 PolarHBondContact O-NE2 2.81Å; H56-W205 AromaticContact CD2-CE3 3.82Å; H56-W205 AromaticContact CD2-CZ3 3.61Å; H56-W205 AromaticContact CE1-CE3 3.31Å; H56-W205 AromaticContact CE1-CZ3 3.9Å; H56-W205 PolarHBondContact CE1-O 3.18Å; H56-W205 AromaticContact NE2-CD2 3.75Å; H56-W205 AromaticContact NE2-CE3 3.11Å; H56-W205 AromaticContact NE2-CZ3 3.38Å; H56-W205 WeakPolarHBondContact NE2-CZ3 3.16Å; H56-K207 WeakPolarHBondContact CD2-CE 3.45Å; H56-K207 PolarHBondContact CD2-NZ 3.07Å; H56-K207 WeakPolarHBondContact CE1-CE 3.49Å; H56-K207 WeakPolarHBondContact ND1-CE 3.4Å; H56-K207 WeakPolarHBondContact NE2-CE 3.45Å; H56-K207 PolarHBondContact NE2-NZ 3Å; H56-G209 CarbonylContact C-O 3.51Å; H56-T210 PolarHBondContact CE1-OG1 3.45Å; H56-T210 VanDerWaalsContact ND1-CG2 3.33Å; H56-T210 WeakPolarHBondContact ND1-CG2 3.24Å; H56-T210 PolarHBondContact ND1-OG1 2.89Å |
| 57 | N | 94.8 | Very high | 93.1 | Very high | 136 Ų | 136 | 46 Ų | 46 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 55.6 | 31.9 | 176.8 | -52.7 | -41 | 0 | 0 | 0 | 113.6 | G209 | N57-G209 PolarHBondContact N-O 2.89Š|
| 58 | Q | 97 | Very high | 93.3 | Very high | 67 Ų | 67 | 53.7 Ų | 53.7 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -82 | 144.7 | 176.6 | -60.2 | -56.6 | -60.6 | 0 | 0 | 110.1 | Q55 H56 Y167 G209 L211 | Q55-Q58 HydrophobicContact CB-CG 3.73Å; Q55-Q58 WeakPolarHBondContact O-CG 3.01Å; H56-Q58 PolarHBondContact O-N 3.48Å; H56-Q58 PolarHBondContact O-NE2 2.81Å; Q58-Y167 HydrophobicContact CB-CE2 4.3Å; Q58-Y167 PolarHBondContact O-OH 3.1Å; Q58-G209 PolarHBondContact N-O 3.34Å; Q58-L211 HydrophobicContact CB-CB 4.01Å; Q58-L211 HydrophobicContact CG-CB 3.78Å |
| 59 | S | 95.2 | Very high | 93.9 | Very high | 107 Ų | 107 | 57.5 Ų | 57.5 | 75% | 0.748 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 158 | 168.1 | -66 | 0 | 0 | 0 | 0 | 110.1 | P61 | S59-P61 WeakPolarHBondContact O-CD 3.35Š|
| 60 | Q | 94.2 | Very high | 94.6 | Very high | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 122.8 | 176.7 | -170.9 | -178.4 | 15.8 | 0 | 0 | 109.8 | V62 S64 Y167 D169 | Q60-V62 WeakPolarHBondContact CG-O 3.36Å; Q60-V62 PolarHBondContact NE2-O 3.2Å; Q60-V62 PolarHBondContact O-N 2.89Å; Q60-S64 PolarHBondContact NE2-OG 2.87Å; Q60-Y167 VanDerWaalsContact CA-CZ 3.49Å; Q60-Y167 HydrophobicContact CB-CE1 3.77Å; Q60-Y167 HydrophobicContact CG-CD1 4.08Å; Q60-Y167 HydrophobicContact CG-CE1 3.69Å; Q60-Y167 PolarHBondContact N-OH 3.47Å; Q60-D169 VanDerWaalsContact CD-OD1 3.23Å; Q60-D169 WeakPolarHBondContact CG-OD1 3.35Å; Q60-D169 PolarHBondContact NE2-OD1 2.78Å |
| 61 | P | 94.5 | Very high | 94.8 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -67.8 | -26.4 | -176.1 | 25.5 | -34 | 0 | 0 | 0 | 112.4 | S59 L157 Y167 L211 | S59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-L157 HydrophobicContact CB-CD1 4.07Å; P61-L157 HydrophobicContact CG-CD1 3.7Å; P61-Y167 VanDerWaalsContact CD-CG 3.45Å; P61-Y167 HydrophobicContact CG-CD2 4.38Å; P61-Y167 HydrophobicContact CG-CG 4.05Å; P61-L211 HydrophobicContact CG-CD1 4.43Å |
| 62 | V | 95.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -142.7 | 123.4 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | Q60 S64 R66 F67 L129 L134 L157 | Q60-V62 WeakPolarHBondContact CG-O 3.36Å; Q60-V62 PolarHBondContact NE2-O 3.2Å; Q60-V62 PolarHBondContact O-N 2.89Å; V62-S64 PolarHBondContact O-N 2.74Å; V62-R66 HydrophobicContact CG1-CB 4.02Å; V62-R66 HydrophobicContact CG1-CG 4.37Å; V62-F67 HydrophobicContact CB-CE2 4.34Å; V62-F67 HydrophobicContact CG1-CE2 4.04Å; V62-F67 HydrophobicContact CG1-CZ 4.49Å; V62-L129 HydrophobicContact CG1-CD2 3.99Å; V62-L134 HydrophobicContact CG2-CD2 3.73Å; V62-L157 HydrophobicContact CB-CD1 4.42Å; V62-L157 HydrophobicContact CG2-CD1 3.55Å; V62-L157 HydrophobicContact CG2-CD2 3.98Å; V62-L157 HydrophobicContact CG2-CG 4.44Å |
| 63 | P | 95.3 | Very high | 94.8 | Very high | 64 Ų | 64 | 72.2 Ų | 72.2 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | trans | -56.7 | 137.7 | 177.3 | -24.8 | 33.2 | 0 | 0 | 0 | 112.6 | E65 R66 | P63-E65 VanDerWaalsContact CB-OE2 3.26Å; P63-E65 WeakPolarHBondContact CB-OE2 3.45Å; P63-E65 PolarHBondContact O-N 2.84Å; P63-E65 VanDerWaalsContact O-N 3.11Å; P63-R66 WeakPolarHBondContact O-CB 3.18Å; P63-R66 PolarHBondContact O-N 2.81Å | ||
| 64 | S | 94.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 73.2 Ų | 73.2 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -57.8 | -26.9 | -176.9 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | Q60 V62 R66 F67 Q138 | Q60-S64 PolarHBondContact NE2-OG 2.87Å; V62-S64 PolarHBondContact O-N 2.74Å; S64-R66 PolarHBondContact O-N 3.49Å; S64-F67 PolarHBondContact O-N 2.79Å; S64-Q138 PolarHBondContact OG-NE2 2.81Å |
| 65 | E | 94.6 | Very high | 94.8 | Very high | 151 Ų | 151 | 75.1 Ų | 75.1 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -66 | -17.3 | 178.3 | -58.6 | 78 | -169.9 | 0 | 0 | 113.5 | P63 F67 | P63-E65 VanDerWaalsContact CB-OE2 3.26Å; P63-E65 WeakPolarHBondContact CB-OE2 3.45Å; P63-E65 PolarHBondContact O-N 2.84Å; P63-E65 VanDerWaalsContact O-N 3.11Å; E65-F67 VanDerWaalsContact C-N 3.32Å |
| 66 | R | 96.4 | Very high | 94.7 | Very high | 86 Ų | 86 | 78.8 Ų | 78.8 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -74.6 | -23 | 176.4 | -67.3 | -175.1 | 61.8 | -171.9 | 2.8 | 112.4 | V62 P63 S64 K68 L129 E131 | V62-R66 HydrophobicContact CG1-CB 4.02Å; V62-R66 HydrophobicContact CG1-CG 4.37Å; P63-R66 WeakPolarHBondContact O-CB 3.18Å; P63-R66 PolarHBondContact O-N 2.81Å; S64-R66 PolarHBondContact O-N 3.49Å; R66-K68 PolarHBondContact O-N 2.91Å; R66-K68 VanDerWaalsContact O-N 3.09Å; R66-L129 HydrophobicContact CB-CD1 3.77Å; R66-L129 VanDerWaalsContact O-CD1 3.26Å; R66-L129 WeakPolarHBondContact O-CD1 3.45Å; R66-E131 IonicContact CZ-OE1 3.71Å; R66-E131 IonicContact CZ-OE2 2.84Å; R66-E131 IonicContact NE-OE1 3.79Å; R66-E131 PolarHBondContact NE-OE1 3.33Å; R66-E131 IonicContact NH2-OE1 3.65Å; R66-E131 PolarHBondContact NH2-OE1 3.11Å; R66-E131 IonicContact NH2-OE2 3.94Å; R66-E131 PolarHBondContact NH2-OE2 3.02Å |
| 67 | F | 96.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.009 | 40% | 0.401 | C | S | . | . | trans | -81 | 86.5 | 175.5 | -62.2 | -93 | 0 | 0 | 0 | 110.4 | V62 S64 E65 R127 L129 V137 Q138 T155 L157 | V62-F67 HydrophobicContact CB-CE2 4.34Å; V62-F67 HydrophobicContact CG1-CE2 4.04Å; V62-F67 HydrophobicContact CG1-CZ 4.49Å; S64-F67 PolarHBondContact O-N 2.79Å; E65-F67 VanDerWaalsContact C-N 3.32Å; F67-R127 HydrophobicContact CB-CB 3.72Å; F67-R127 WeakPolarHBondContact O-CD 3.43Å; F67-L129 HydrophobicContact CD1-CB 3.63Å; F67-L129 HydrophobicContact CE1-CB 3.62Å; F67-L129 HydrophobicContact CE1-CD2 4.4Å; F67-L129 HydrophobicContact CG-CB 4.3Å; F67-L129 HydrophobicContact CZ-CB 4.29Å; F67-L129 HydrophobicContact CZ-CD2 4.29Å; F67-V137 VanDerWaalsContact CE1-C 3.48Å; F67-Q138 HydrophobicContact CB-CB 4.37Å; F67-Q138 HydrophobicContact CD1-CB 3.78Å; F67-Q138 HydrophobicContact CD2-CB 4.07Å; F67-Q138 HydrophobicContact CE1-CB 4.04Å; F67-Q138 HydrophobicContact CE2-CB 4.31Å; F67-Q138 HydrophobicContact CG-CB 3.81Å; F67-Q138 HydrophobicContact CZ-CB 4.29Å; F67-T155 HydrophobicContact CE1-CG2 4.24Å; F67-T155 HydrophobicContact CE2-CG2 4.14Å; F67-T155 HydrophobicContact CZ-CG2 3.49Å; F67-T155 VanDerWaalsContact CZ-CG2 3.49Å; F67-L157 HydrophobicContact CZ-CD2 3.97Å | ||
| 68 | K | 90 | Very high | 94.8 | Very high | 173 Ų | 173 | 78.7 Ų | 78.7 | 75% | 0.752 | 39% | 0.392 | S | S | * | . | trans | -87.9 | -32.5 | -166.8 | -68.9 | 169.2 | -174 | 170.9 | 0 | 114 | R66 V128 | R66-K68 PolarHBondContact O-N 2.91Å; R66-K68 VanDerWaalsContact O-N 3.09Å; K68-V128 PolarHBondContact N-O 3.1Å | ||
| 69 | E | 91.7 | Very high | 94.7 | Very high | 101 Ų | 101 | 76.6 Ų | 76.6 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.6 | -168.8 | -174.8 | 168.3 | -177.7 | 0 | 0 | 110.9 | Y75 R127 V128 | E69-Y75 VanDerWaalsContact CD-CE2 3.42Å; E69-Y75 HydrophobicContact CG-CE2 4.47Å; E69-Y75 WeakPolarHBondContact OE1-CE2 3.31Å; E69-Y75 VanDerWaalsContact OE2-CE2 3.27Å; E69-Y75 WeakPolarHBondContact OE2-CE2 3.33Å; E69-R127 CarbonylContact O-C 3.51Å; E69-R127 WeakPolarHBondContact O-CA 3.36Å; E69-V128 PolarHBondContact O-N 2.81Å |
| 70 | K | 95 | Very high | 94.8 | Very high | 130 Ų | 130 | 77.4 Ų | 77.4 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127.3 | 174.6 | 179.4 | 169.9 | 177.1 | 161.5 | 0 | 110.3 | E125 | K70-E125 HydrophobicContact CD-CG 4.15Å; K70-E125 WeakPolarHBondContact CE-OE2 3.48Å; K70-E125 HydrophobicContact CG-CG 4.3Å; K70-E125 IonicContact NZ-OE1 2.72Å; K70-E125 IonicContact NZ-OE2 3.03Å; K70-E125 PolarHBondContact NZ-OE2 3.1Å |
| 71 | V | 93.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 75.6 Ų | 75.6 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 138 | -177.9 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | I74 Y75 L126 V128 | V71-I74 VanDerWaalsContact CG1-C 3.48Å; V71-I74 WeakPolarHBondContact CG1-O 3.31Å; V71-Y75 HydrophobicContact CG2-CD2 4.1Å; V71-Y75 HydrophobicContact CG2-CG 4.22Å; V71-L126 HydrophobicContact CB-CB 4.21Å; V71-L126 HydrophobicContact CB-CD2 3.87Å; V71-L126 HydrophobicContact CB-CG 4.08Å; V71-L126 HydrophobicContact CG1-CD2 3.96Å; V71-L126 HydrophobicContact CG2-CD2 4.18Å; V71-L126 HydrophobicContact CG2-CG 4.28Å; V71-L126 PolarHBondContact N-O 2.95Å; V71-V128 HydrophobicContact CG2-CG2 3.47Å; V71-V128 VanDerWaalsContact CG2-CG2 3.47Å |
| 72 | V | 92.1 | Very high | 94.7 | Very high | 125 Ų | 125 | 76.4 Ų | 76.4 | 76% | 0.758 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -86.6 | -44.8 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | N97 | V72-N97 PolarHBondContact O-ND2 3.03Š|
| 73 | D | 92.5 | Very high | 94.7 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -135.8 | -67.5 | -174.8 | -170.4 | 20.6 | 0 | 0 | 0 | 110.7 | N97 | D73-N97 WeakPolarHBondContact O-CB 3.48Å; D73-N97 PolarHBondContact O-N 2.83Å |
| 74 | I | 95.6 | Very high | 94.5 | Very high | 61 Ų | 61 | 75.4 Ų | 75.4 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.2 | -178.1 | -168 | 176.3 | 0 | 0 | 0 | 111.3 | V71 L94 F95 Y96 | V71-I74 VanDerWaalsContact CG1-C 3.48Å; V71-I74 WeakPolarHBondContact CG1-O 3.31Å; I74-L94 HydrophobicContact CD1-CB 4.06Å; I74-L94 HydrophobicContact CD1-CD1 4.12Å; I74-L94 HydrophobicContact CD1-CD2 4.19Å; I74-L94 HydrophobicContact CD1-CG 4.35Å; I74-L94 HydrophobicContact CG1-CB 4.37Å; I74-F95 WeakPolarHBondContact CA-O 3.39Å; I74-Y96 HydrophobicContact CB-CD1 4.45Å; I74-Y96 HydrophobicContact CB-CE1 4.4Å; I74-Y96 HydrophobicContact CD1-CD1 4.4Å; I74-Y96 HydrophobicContact CD1-CE1 3.7Å; I74-Y96 HydrophobicContact CD1-CE2 4.01Å; I74-Y96 VanDerWaalsContact CD1-CZ 3.48Å; I74-Y96 HydrophobicContact CG1-CD1 4.34Å; I74-Y96 HydrophobicContact CG1-CE1 4.13Å; I74-Y96 HydrophobicContact CG1-CE2 4.42Å |
| 75 | Y | 96.8 | Very high | 94.5 | Very high | 40 Ų | 40 | 73.7 Ų | 73.7 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 123.2 | 167.1 | -176.8 | -84.7 | 0 | 0 | 0 | 110.4 | E69 V71 A77 F95 V128 N130 | E69-Y75 VanDerWaalsContact CD-CE2 3.42Å; E69-Y75 HydrophobicContact CG-CE2 4.47Å; E69-Y75 WeakPolarHBondContact OE1-CE2 3.31Å; E69-Y75 VanDerWaalsContact OE2-CE2 3.27Å; E69-Y75 WeakPolarHBondContact OE2-CE2 3.33Å; V71-Y75 HydrophobicContact CG2-CD2 4.1Å; V71-Y75 HydrophobicContact CG2-CG 4.22Å; Y75-A77 HydrophobicContact CD1-CB 3.92Å; Y75-A77 HydrophobicContact CE1-CB 3.79Å; Y75-F95 AromaticContact CD1-CD2 3.98Å; Y75-F95 HydrophobicContact CD1-CD2 3.98Å; Y75-F95 PolarHBondContact N-O 3.21Å; Y75-F95 PolarHBondContact O-N 2.78Å; Y75-V128 HydrophobicContact CD1-CG1 4.01Å; Y75-V128 HydrophobicContact CD1-CG2 4.01Å; Y75-V128 HydrophobicContact CD2-CG2 4.14Å; Y75-V128 HydrophobicContact CE1-CG1 3.7Å; Y75-V128 HydrophobicContact CE1-CG2 4.47Å; Y75-V128 HydrophobicContact CE2-CG1 4.49Å; Y75-V128 HydrophobicContact CG-CG1 4.5Å; Y75-V128 HydrophobicContact CG-CG2 3.8Å; Y75-N130 PolarHBondContact OH-ND2 3.18Å; Y75-N130 VanDerWaalsContact OH-ND2 3.13Å |
| 76 | E | 96.9 | Very high | 94.3 | Very high | 127 Ų | 127 | 67.4 Ų | 67.4 | 59% | 0.593 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 108.7 | 176.6 | -65.2 | 172.8 | -158.3 | 0 | 0 | 109.4 | L94 | E76-L94 HydrophobicContact CB-CD2 4.22Å; E76-L94 HydrophobicContact CG-CD2 3.63Å |
| 77 | A | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.4 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y75 E92 I93 F95 L135 | Y75-A77 HydrophobicContact CD1-CB 3.92Å; Y75-A77 HydrophobicContact CE1-CB 3.79Å; A77-E92 CarbonylContact O-C 3.46Å; A77-E92 WeakPolarHBondContact O-CA 3.4Å; A77-I93 PolarHBondContact N-O 3.43Å; A77-I93 PolarHBondContact O-N 3.19Å; A77-F95 HydrophobicContact CB-CD2 3.82Å; A77-F95 HydrophobicContact CB-CE2 3.37Å; A77-F95 HydrophobicContact CB-CZ 4.36Å; A77-L135 HydrophobicContact CB-CD1 3.96Å; A77-L135 HydrophobicContact CB-CD2 4.01Å |
| 78 | R | 96.5 | Very high | 93.5 | Very high | 145 Ų | 145 | 68.8 Ų | 68.8 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | trans | -111.2 | 113.1 | 166.8 | -62.9 | -175 | -177.7 | 167.2 | -0.2 | 108.4 | K80 E92 | R78-K80 PolarHBondContact O-N 2.91Å; R78-E92 IonicContact CZ-OE1 2.59Å; R78-E92 IonicContact NE-OE1 3.27Å; R78-E92 PolarHBondContact NE-OE1 3.47Å; R78-E92 VanDerWaalsContact NE-OE1 3.16Å; R78-E92 IonicContact NH2-OE1 3.78Å; R78-E92 PolarHBondContact NH2-OE1 2.96Å; R78-E92 VanDerWaalsContact NH2-OE1 3.13Å | ||
| 79 | P | 95.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 14% | 0.143 | 35% | 0.349 | C | S | . | . | trans | -51.9 | 132.1 | 176.8 | -26.3 | 33.7 | 0 | 0 | 0 | 111.2 | F81 V90 I93 L135 | P79-F81 HydrophobicContact CB-CD2 4.42Å; P79-F81 HydrophobicContact CB-CE1 4.49Å; P79-F81 HydrophobicContact CB-CE2 4.28Å; P79-F81 HydrophobicContact CB-CZ 4.32Å; P79-F81 PolarHBondContact O-N 3.32Å; P79-V90 HydrophobicContact CG-CG1 4.19Å; P79-I93 HydrophobicContact CG-CD1 3.98Å; P79-L135 HydrophobicContact CB-CD2 4.43Å; P79-L135 HydrophobicContact CG-CD2 3.91Å | ||
| 80 | K | 95.8 | Very high | 93.9 | Very high | 125 Ų | 125 | 61 Ų | 61 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -80.9 | 2.6 | 177.6 | -64.7 | 175.2 | -174.5 | 165.7 | 0 | 112.9 | R78 N130 | R78-K80 PolarHBondContact O-N 2.91Å; K80-N130 WeakPolarHBondContact CE-OD1 3.3Å; K80-N130 PolarHBondContact NZ-O 3.47Å |
| 81 | F | 95.1 | Very high | 93.9 | Very high | 31 Ų | 31 | 57.1 Ų | 57.1 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -131.5 | 163.6 | -179.2 | 51.2 | -93 | 0 | 0 | 0 | 109.6 | P79 Y83 E132 L135 M158 P160 | P79-F81 HydrophobicContact CB-CD2 4.42Å; P79-F81 HydrophobicContact CB-CE1 4.49Å; P79-F81 HydrophobicContact CB-CE2 4.28Å; P79-F81 HydrophobicContact CB-CZ 4.32Å; P79-F81 PolarHBondContact O-N 3.32Å; F81-Y83 AromaticContact CE2-CD2 3.82Å; F81-Y83 HydrophobicContact CE2-CD2 3.82Å; F81-Y83 HydrophobicContact CE2-CG 4.04Å; F81-Y83 PolarHBondContact O-N 3.46Å; F81-E132 WeakPolarHBondContact CD1-O 3.33Å; F81-L135 HydrophobicContact CE1-CB 3.99Å; F81-L135 HydrophobicContact CZ-CB 3.91Å; F81-M158 HydrophobicContact CZ-CB 4.41Å; F81-M158 WeakPolarHBondContact CZ-O 3.32Å; F81-P160 HydrophobicContact CB-CB 4.14Å; F81-P160 HydrophobicContact CB-CG 4.18Å; F81-P160 HydrophobicContact CD1-CG 4.22Å; F81-P160 HydrophobicContact CD2-CB 4.12Å; F81-P160 HydrophobicContact CD2-CG 4.14Å; F81-P160 HydrophobicContact CG-CB 4.16Å; F81-P160 HydrophobicContact CG-CG 3.93Å |
| 82 | S | 92.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | trans | -70.2 | 124 | 172.4 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 83 | Y | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 2% | 0.024 | 28% | 0.281 | C | S | . | . | trans | -136.4 | 138.3 | 179.9 | -171.1 | -109.8 | 0 | 0 | 0 | 109.6 | F81 V90 M158 H159 | F81-Y83 AromaticContact CE2-CD2 3.82Å; F81-Y83 HydrophobicContact CE2-CD2 3.82Å; F81-Y83 HydrophobicContact CE2-CG 4.04Å; F81-Y83 PolarHBondContact O-N 3.46Å; Y83-V90 HydrophobicContact CD1-CB 3.96Å; Y83-V90 HydrophobicContact CD1-CG1 4.41Å; Y83-V90 HydrophobicContact CD1-CG2 3.61Å; Y83-V90 HydrophobicContact CE1-CG2 4.16Å; Y83-V90 PolarHBondContact O-N 3.24Å; Y83-M158 HydrophobicContact CD1-SD 4.42Å; Y83-M158 HydrophobicContact CD2-CB 4.49Å; Y83-M158 HydrophobicContact CE1-CB 4.43Å; Y83-M158 HydrophobicContact CE1-CG 4.3Å; Y83-M158 HydrophobicContact CE1-SD 3.84Å; Y83-M158 HydrophobicContact CE2-CB 3.96Å; Y83-M158 HydrophobicContact CE2-CG 4.5Å; Y83-H159 WeakPolarHBondContact CD2-O 3.42Å | ||
| 84 | S | 92.6 | Very high | 94.6 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 139.2 | 179.3 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | S88 | S84-S88 CarbonylContact C-O 3.55Å; S84-S88 WeakPolarHBondContact CA-O 3.43Å |
| 85 | F | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.9 | 177.4 | -172.7 | -105 | 0 | 0 | 0 | 108.8 | G87 S88 V90 V103 I111 I114 L164 I184 F185 | F85-G87 PolarHBondContact O-N 2.96Å; F85-G87 VanDerWaalsContact O-N 3.16Å; F85-S88 PolarHBondContact N-O 2.89Å; F85-S88 PolarHBondContact O-N 3.49Å; F85-V90 HydrophobicContact CB-CG2 3.58Å; F85-V103 HydrophobicContact CB-CG1 4.17Å; F85-V103 HydrophobicContact CD1-CB 4.18Å; F85-V103 HydrophobicContact CD1-CG1 4.13Å; F85-V103 HydrophobicContact CD1-CG2 4.23Å; F85-V103 HydrophobicContact CE1-CG2 4.27Å; F85-V103 HydrophobicContact CG-CG1 4.3Å; F85-I111 HydrophobicContact CB-CD1 4.18Å; F85-I111 HydrophobicContact CD1-CD1 4.34Å; F85-I111 HydrophobicContact CD1-CG1 4.4Å; F85-I114 HydrophobicContact CD2-CD1 4.22Å; F85-I114 HydrophobicContact CD2-CG1 4.48Å; F85-I114 HydrophobicContact CE2-CD1 3.92Å; F85-I114 HydrophobicContact CE2-CG1 3.72Å; F85-I114 HydrophobicContact CZ-CD1 4.41Å; F85-I114 HydrophobicContact CZ-CG1 3.84Å; F85-L164 HydrophobicContact CE2-CD2 4.33Å; F85-I184 HydrophobicContact CE2-CB 4.44Å; F85-I184 HydrophobicContact CZ-CB 4.35Å; F85-F185 VanDerWaalsContact CE1-O 3.27Å; F85-F185 WeakPolarHBondContact CE1-O 3.04Å; F85-F185 WeakPolarHBondContact CZ-O 3.48Å |
| 86 | Y | 89.6 | Confident | 94.6 | Very high | 19 Ų | 19 | 47 Ų | 47 | 8% | 0.075 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 42.4 | -172.1 | -82.9 | -90.8 | 0 | 0 | 0 | 113.6 | Y50 S88 I184 G186 H197 I199 | Y50-Y86 HydrophobicContact CD2-CD1 4.5Å; Y50-Y86 HydrophobicContact CD2-CE1 4.01Å; Y50-Y86 HydrophobicContact CD2-CE2 4.21Å; Y50-Y86 AromaticContact CD2-CZ 3.86Å; Y50-Y86 AromaticContact CE2-CD1 3.93Å; Y50-Y86 HydrophobicContact CE2-CD1 3.93Å; Y50-Y86 AromaticContact CE2-CD2 3.67Å; Y50-Y86 HydrophobicContact CE2-CD2 3.67Å; Y50-Y86 AromaticContact CE2-CE1 3.83Å; Y50-Y86 HydrophobicContact CE2-CE1 3.83Å; Y50-Y86 AromaticContact CE2-CE2 3.61Å; Y50-Y86 HydrophobicContact CE2-CE2 3.61Å; Y50-Y86 AromaticContact CE2-CG 3.84Å; Y50-Y86 HydrophobicContact CE2-CG 3.84Å; Y50-Y86 AromaticContact CE2-CZ 3.67Å; Y50-Y86 PolarHBondContact OH-N 2.97Å; Y86-S88 PolarHBondContact O-N 2.69Å; Y86-I184 HydrophobicContact CE2-CD1 4.3Å; Y86-G186 VanDerWaalsContact CD2-CA 3.41Å; Y86-H197 HydrophobicContact CE1-CB 4.18Å; Y86-H197 AromaticContact CE1-ND1 3.58Å; Y86-H197 AromaticContact CZ-ND1 3.67Å; Y86-H197 PolarHBondContact OH-ND1 3.23Å; Y86-I199 WeakPolarHBondContact OH-CD1 3.28Å |
| 87 | G | 86.3 | Confident | 94.3 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 77% | 0.773 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F85 | F85-G87 PolarHBondContact O-N 2.96Å; F85-G87 VanDerWaalsContact O-N 3.16Å |
| 88 | S | 90.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 141.3 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | S84 F85 Y86 V90 | S84-S88 CarbonylContact C-O 3.55Å; S84-S88 WeakPolarHBondContact CA-O 3.43Å; F85-S88 PolarHBondContact N-O 2.89Å; F85-S88 PolarHBondContact O-N 3.49Å; Y86-S88 PolarHBondContact O-N 2.69Å; S88-V90 PolarHBondContact O-N 2.72Å |
| 89 | N | 93.6 | Very high | 93.4 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 122.2 | 176.5 | -70.1 | -51.8 | 0 | 0 | 0 | 110.1 | D105 F106 | N89-D105 WeakPolarHBondContact O-CA 3.38Å; N89-F106 HydrophobicContact CB-CD2 4.02Å; N89-F106 HydrophobicContact CB-CE2 4.03Å |
| 90 | V | 96.5 | Very high | 93.1 | Very high | 9 Ų | 9 | 42.3 Ų | 42.3 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.5 | -178.9 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | P79 Y83 F85 S88 I93 V103 I111 | P79-V90 HydrophobicContact CG-CG1 4.19Å; Y83-V90 HydrophobicContact CD1-CB 3.96Å; Y83-V90 HydrophobicContact CD1-CG1 4.41Å; Y83-V90 HydrophobicContact CD1-CG2 3.61Å; Y83-V90 HydrophobicContact CE1-CG2 4.16Å; Y83-V90 PolarHBondContact O-N 3.24Å; F85-V90 HydrophobicContact CB-CG2 3.58Å; S88-V90 PolarHBondContact O-N 2.72Å; V90-I93 HydrophobicContact CG1-CD1 3.91Å; V90-I93 HydrophobicContact CG1-CG1 3.7Å; V90-V103 HydrophobicContact CB-CG1 4.29Å; V90-V103 HydrophobicContact CG1-CG1 3.73Å; V90-V103 HydrophobicContact CG2-CG1 3.62Å; V90-I111 HydrophobicContact CG2-CD1 4.23Å |
| 91 | H | 96.5 | Very high | 93.1 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 22% | 0.218 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -45.9 | 172.8 | 179.3 | 57.1 | 0 | 0 | 0 | 111.4 | F104 D105 F106 | H91-F104 PolarHBondContact N-O 3.48Å; H91-D105 VanDerWaalsContact CB-O 3.3Å; H91-D105 WeakPolarHBondContact CB-O 3.06Å; H91-F106 HydrophobicContact CB-CB 4.44Å; H91-F106 HydrophobicContact CB-CD1 4.09Å; H91-F106 HydrophobicContact CB-CD2 4.05Å; H91-F106 HydrophobicContact CB-CE1 4.36Å; H91-F106 HydrophobicContact CB-CE2 4.29Å; H91-F106 HydrophobicContact CB-CG 3.94Å; H91-F106 HydrophobicContact CB-CZ 4.45Å; H91-F106 AromaticContact CG-CD1 3.93Å; H91-F106 AromaticContact ND1-CD1 3.4Å; H91-F106 WeakPolarHBondContact ND1-CD1 3.25Å; H91-F106 AromaticContact ND1-CE1 3.3Å; H91-F106 VanDerWaalsContact ND1-CE1 3.3Å; H91-F106 WeakPolarHBondContact ND1-CE1 3.38Å; H91-F106 AromaticContact ND1-CZ 3.96Å |
| 92 | E | 97.7 | Very high | 93.2 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.8 | -171.4 | -170.8 | 165.5 | -92.9 | 0 | 0 | 110.3 | A77 R78 L94 F104 | A77-E92 CarbonylContact O-C 3.46Å; A77-E92 WeakPolarHBondContact O-CA 3.4Å; R78-E92 IonicContact CZ-OE1 2.59Å; R78-E92 IonicContact NE-OE1 3.27Å; R78-E92 PolarHBondContact NE-OE1 3.47Å; R78-E92 VanDerWaalsContact NE-OE1 3.16Å; R78-E92 IonicContact NH2-OE1 3.78Å; R78-E92 PolarHBondContact NH2-OE1 2.96Å; R78-E92 VanDerWaalsContact NH2-OE1 3.13Å; E92-L94 HydrophobicContact CG-CD2 4.11Å; E92-F104 HydrophobicContact CB-CB 4.44Å; E92-F104 PolarHBondContact N-O 3.49Å; E92-F104 PolarHBondContact O-N 3.05Å |
| 93 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.3 | 171.9 | -61.3 | 149.8 | 0 | 0 | 0 | 107.3 | A77 P79 V90 F95 D101 Y102 V103 L135 M158 | A77-I93 PolarHBondContact N-O 3.43Å; A77-I93 PolarHBondContact O-N 3.19Å; P79-I93 HydrophobicContact CG-CD1 3.98Å; V90-I93 HydrophobicContact CG1-CD1 3.91Å; V90-I93 HydrophobicContact CG1-CG1 3.7Å; I93-F95 HydrophobicContact CB-CZ 4.27Å; I93-F95 HydrophobicContact CG2-CD1 3.92Å; I93-F95 HydrophobicContact CG2-CE1 3.52Å; I93-F95 HydrophobicContact CG2-CE2 4.24Å; I93-F95 HydrophobicContact CG2-CG 4.39Å; I93-F95 HydrophobicContact CG2-CZ 3.7Å; I93-D101 HydrophobicContact CG2-CB 4.29Å; I93-Y102 CarbonylContact C-O 3.6Å; I93-Y102 WeakPolarHBondContact CA-O 3.04Å; I93-V103 HydrophobicContact CG1-CG1 4.17Å; I93-V103 HydrophobicContact CG1-CG2 4.43Å; I93-L135 HydrophobicContact CD1-CD2 3.72Å; I93-M158 HydrophobicContact CD1-CE 3.78Å; I93-M158 HydrophobicContact CD1-SD 3.27Å; I93-M158 WeakPolarHBondContact CD1-SD 3.14Å; I93-M158 HydrophobicContact CG1-SD 4.5Å; I93-M158 HydrophobicContact CG2-CE 4.29Å |
| 94 | L | 97.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.9 | 175 | -58.6 | -173.6 | 0 | 0 | 0 | 108.5 | I74 E76 E92 Y96 D101 Y102 F104 | I74-L94 HydrophobicContact CD1-CB 4.06Å; I74-L94 HydrophobicContact CD1-CD1 4.12Å; I74-L94 HydrophobicContact CD1-CD2 4.19Å; I74-L94 HydrophobicContact CD1-CG 4.35Å; I74-L94 HydrophobicContact CG1-CB 4.37Å; E76-L94 HydrophobicContact CB-CD2 4.22Å; E76-L94 HydrophobicContact CG-CD2 3.63Å; E92-L94 HydrophobicContact CG-CD2 4.11Å; L94-Y96 HydrophobicContact CB-CD2 4.23Å; L94-Y96 HydrophobicContact CB-CE2 3.63Å; L94-Y96 HydrophobicContact CD1-CE2 4.34Å; L94-Y96 WeakPolarHBondContact O-CD2 3.5Å; L94-D101 WeakPolarHBondContact O-CA 3.34Å; L94-Y102 PolarHBondContact N-O 2.99Å; L94-Y102 PolarHBondContact O-N 3.34Å; L94-F104 HydrophobicContact CB-CE2 4.44Å; L94-F104 HydrophobicContact CD1-CD2 4.32Å; L94-F104 HydrophobicContact CD1-CE2 3.48Å; L94-F104 VanDerWaalsContact CD1-CE2 3.48Å; L94-F104 HydrophobicContact CD1-CZ 4Å; L94-F104 HydrophobicContact CG-CD2 4.15Å; L94-F104 HydrophobicContact CG-CE2 3.69Å |
| 95 | F | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111.9 | 175.7 | -62.1 | -65 | 0 | 0 | 0 | 110.2 | I74 Y75 A77 I93 D101 L126 L135 V137 M158 | I74-F95 WeakPolarHBondContact CA-O 3.39Å; Y75-F95 AromaticContact CD1-CD2 3.98Å; Y75-F95 HydrophobicContact CD1-CD2 3.98Å; Y75-F95 PolarHBondContact N-O 3.21Å; Y75-F95 PolarHBondContact O-N 2.78Å; A77-F95 HydrophobicContact CB-CD2 3.82Å; A77-F95 HydrophobicContact CB-CE2 3.37Å; A77-F95 HydrophobicContact CB-CZ 4.36Å; I93-F95 HydrophobicContact CB-CZ 4.27Å; I93-F95 HydrophobicContact CG2-CD1 3.92Å; I93-F95 HydrophobicContact CG2-CE1 3.52Å; I93-F95 HydrophobicContact CG2-CE2 4.24Å; I93-F95 HydrophobicContact CG2-CG 4.39Å; I93-F95 HydrophobicContact CG2-CZ 3.7Å; F95-D101 VanDerWaalsContact CA-OD1 3.31Å; F95-D101 WeakPolarHBondContact CA-OD1 3.34Å; F95-D101 HydrophobicContact CD1-CB 4.02Å; F95-D101 VanDerWaalsContact CD1-CG 3.41Å; F95-D101 WeakPolarHBondContact CD1-OD1 3.34Å; F95-D101 HydrophobicContact CE1-CB 4.38Å; F95-L126 HydrophobicContact CB-CD2 4Å; F95-L135 HydrophobicContact CE2-CD1 4.06Å; F95-L135 HydrophobicContact CE2-CD2 4.21Å; F95-L135 HydrophobicContact CE2-CG 4.14Å; F95-L135 HydrophobicContact CZ-CD1 4.44Å; F95-L135 HydrophobicContact CZ-CD2 4.05Å; F95-L135 HydrophobicContact CZ-CG 4.03Å; F95-V137 HydrophobicContact CB-CG1 4.02Å; F95-V137 HydrophobicContact CD1-CB 4.4Å; F95-V137 HydrophobicContact CD1-CG1 3.51Å; F95-V137 HydrophobicContact CD1-CG2 3.96Å; F95-V137 HydrophobicContact CD2-CG1 3.7Å; F95-V137 HydrophobicContact CE1-CG1 3.83Å; F95-V137 HydrophobicContact CE1-CG2 4.1Å; F95-V137 HydrophobicContact CE2-CG1 3.96Å; F95-V137 HydrophobicContact CG-CG1 3.48Å; F95-V137 VanDerWaalsContact CG-CG1 3.48Å; F95-V137 HydrophobicContact CZ-CG1 4.05Å; F95-M158 HydrophobicContact CE1-CE 3.88Å; F95-M158 HydrophobicContact CZ-CE 4.06Å |
| 96 | Y | 94.2 | Very high | 93.8 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 26% | 0.255 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 138.4 | 177.4 | -72.8 | -93.8 | 0 | 0 | 0 | 111.2 | I74 L94 H98 D99 G100 D101 Y102 R139 | I74-Y96 HydrophobicContact CB-CD1 4.45Å; I74-Y96 HydrophobicContact CB-CE1 4.4Å; I74-Y96 HydrophobicContact CD1-CD1 4.4Å; I74-Y96 HydrophobicContact CD1-CE1 3.7Å; I74-Y96 HydrophobicContact CD1-CE2 4.01Å; I74-Y96 VanDerWaalsContact CD1-CZ 3.48Å; I74-Y96 HydrophobicContact CG1-CD1 4.34Å; I74-Y96 HydrophobicContact CG1-CE1 4.13Å; I74-Y96 HydrophobicContact CG1-CE2 4.42Å; L94-Y96 HydrophobicContact CB-CD2 4.23Å; L94-Y96 HydrophobicContact CB-CE2 3.63Å; L94-Y96 HydrophobicContact CD1-CE2 4.34Å; L94-Y96 WeakPolarHBondContact O-CD2 3.5Å; Y96-H98 PolarHBondContact O-N 2.86Å; Y96-D99 HydrophobicContact CG-CB 4.32Å; Y96-G100 WeakPolarHBondContact CD2-O 3.42Å; Y96-D101 PolarHBondContact N-OD1 2.92Å; Y96-Y102 AromaticContact CD2-CD2 3.57Å; Y96-Y102 HydrophobicContact CD2-CD2 3.57Å; Y96-Y102 AromaticContact CD2-CE2 3.96Å; Y96-Y102 HydrophobicContact CD2-CE2 3.96Å; Y96-Y102 AromaticContact CE2-CD2 3.36Å; Y96-Y102 HydrophobicContact CE2-CD2 3.36Å; Y96-Y102 AromaticContact CE2-CE2 3.86Å; Y96-Y102 HydrophobicContact CE2-CE2 3.86Å; Y96-Y102 HydrophobicContact CE2-CG 4.17Å; Y96-R139 PolarHBondContact O-NH2 2.85Å |
| 97 | N | 91.3 | Very high | 93.8 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -73 | -21.3 | 173.8 | -172.6 | 36.3 | 0 | 0 | 0 | 112.3 | V72 D73 S124 L126 | V72-N97 PolarHBondContact O-ND2 3.03Å; D73-N97 WeakPolarHBondContact O-CB 3.48Å; D73-N97 PolarHBondContact O-N 2.83Å; N97-S124 PolarHBondContact ND2-OG 3.16Å; N97-S124 PolarHBondContact O-OG 3.13Å; N97-S124 PolarHBondContact OD1-OG 2.83Å; N97-L126 HydrophobicContact CB-CB 4.13Å; N97-L126 HydrophobicContact CB-CD2 4.39Å; N97-L126 VanDerWaalsContact OD1-CB 3.32Å; N97-L126 WeakPolarHBondContact OD1-CB 3.48Å; N97-L126 PolarHBondContact OD1-N 3Å; N97-L126 VanDerWaalsContact OD1-N 3.11Å |
| 98 | H | 86.2 | Confident | 94.1 | Very high | 106 Ų | 106 | 48.6 Ų | 48.6 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -124 | 1.6 | -170.3 | -60.1 | -57 | 0 | 0 | 0 | 115 | Y96 Y121 S124 | Y96-H98 PolarHBondContact O-N 2.86Å; H98-Y121 VanDerWaalsContact CA-OH 3.3Å; H98-Y121 WeakPolarHBondContact CA-OH 3.31Å; H98-Y121 WeakPolarHBondContact CB-OH 3.41Å; H98-Y121 AromaticContact ND1-CZ 3.97Å; H98-Y121 PolarHBondContact ND1-OH 2.93Å; H98-S124 PolarHBondContact CE1-OG 3Å; H98-S124 PolarHBondContact ND1-OG 2.94Å |
| 99 | D | 86.8 | Confident | 94.3 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -146.7 | -178 | -177.5 | -152 | -15.9 | 0 | 0 | 0 | 109.9 | Y96 Y102 | Y96-D99 HydrophobicContact CG-CB 4.32Å; D99-Y102 PolarHBondContact OD2-OH 2.86Å |
| 100 | G | 89.9 | Confident | 94.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 168.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y96 Y102 D115 | Y96-G100 WeakPolarHBondContact CD2-O 3.42Å; G100-Y102 WeakPolarHBondContact O-CD2 3.27Å; G100-D115 WeakPolarHBondContact CA-OD1 3.44Å |
| 101 | D | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.3 | 178.7 | -59.3 | -40 | 0 | 0 | 0 | 109.9 | I93 L94 F95 Y96 N113 I114 R139 | I93-D101 HydrophobicContact CG2-CB 4.29Å; L94-D101 WeakPolarHBondContact O-CA 3.34Å; F95-D101 VanDerWaalsContact CA-OD1 3.31Å; F95-D101 WeakPolarHBondContact CA-OD1 3.34Å; F95-D101 HydrophobicContact CD1-CB 4.02Å; F95-D101 VanDerWaalsContact CD1-CG 3.41Å; F95-D101 WeakPolarHBondContact CD1-OD1 3.34Å; F95-D101 HydrophobicContact CE1-CB 4.38Å; Y96-D101 PolarHBondContact N-OD1 2.92Å; D101-N113 CarbonylContact O-C 3.58Å; D101-N113 WeakPolarHBondContact O-CA 3.3Å; D101-I114 HydrophobicContact CB-CB 4.14Å; D101-I114 VanDerWaalsContact CB-O 3.26Å; D101-I114 WeakPolarHBondContact CB-O 3.37Å; D101-I114 PolarHBondContact N-O 3.37Å; D101-I114 PolarHBondContact O-N 3.39Å; D101-R139 IonicContact OD1-CZ 3.82Å; D101-R139 IonicContact OD1-NH1 3.16Å; D101-R139 IonicContact OD1-NH2 3.62Å; D101-R139 PolarHBondContact OD1-NH2 2.79Å; D101-R139 IonicContact OD2-CZ 3.44Å; D101-R139 IonicContact OD2-NH1 3.13Å; D101-R139 PolarHBondContact OD2-NH1 2.79Å; D101-R139 IonicContact OD2-NH2 2.69Å; D101-R139 PolarHBondContact OD2-NH2 2.87Å |
| 102 | Y | 97.4 | Very high | 94.3 | Very high | 68 Ų | 68 | 45.3 Ų | 45.3 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129 | -177 | -69.3 | -108.6 | 0 | 0 | 0 | 110.1 | I93 L94 Y96 D99 G100 H110 N113 | I93-Y102 CarbonylContact C-O 3.6Å; I93-Y102 WeakPolarHBondContact CA-O 3.04Å; L94-Y102 PolarHBondContact N-O 2.99Å; L94-Y102 PolarHBondContact O-N 3.34Å; Y96-Y102 AromaticContact CD2-CD2 3.57Å; Y96-Y102 HydrophobicContact CD2-CD2 3.57Å; Y96-Y102 AromaticContact CD2-CE2 3.96Å; Y96-Y102 HydrophobicContact CD2-CE2 3.96Å; Y96-Y102 AromaticContact CE2-CD2 3.36Å; Y96-Y102 HydrophobicContact CE2-CD2 3.36Å; Y96-Y102 AromaticContact CE2-CE2 3.86Å; Y96-Y102 HydrophobicContact CE2-CE2 3.86Å; Y96-Y102 HydrophobicContact CE2-CG 4.17Å; D99-Y102 PolarHBondContact OD2-OH 2.86Å; G100-Y102 WeakPolarHBondContact O-CD2 3.27Å; Y102-H110 AromaticContact CD1-CD2 3.82Å; Y102-H110 AromaticContact CD1-CE1 3.88Å; Y102-H110 AromaticContact CD1-NE2 3.35Å; Y102-H110 VanDerWaalsContact CD1-NE2 3.35Å; Y102-H110 WeakPolarHBondContact CD1-NE2 3.48Å; Y102-N113 WeakPolarHBondContact CD1-ND2 3.5Å; Y102-N113 WeakPolarHBondContact CE1-ND2 3.37Å |
| 103 | V | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.1 | -175.9 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | F85 V90 I93 H110 I111 G112 I114 | F85-V103 HydrophobicContact CB-CG1 4.17Å; F85-V103 HydrophobicContact CD1-CB 4.18Å; F85-V103 HydrophobicContact CD1-CG1 4.13Å; F85-V103 HydrophobicContact CD1-CG2 4.23Å; F85-V103 HydrophobicContact CE1-CG2 4.27Å; F85-V103 HydrophobicContact CG-CG1 4.3Å; V90-V103 HydrophobicContact CB-CG1 4.29Å; V90-V103 HydrophobicContact CG1-CG1 3.73Å; V90-V103 HydrophobicContact CG2-CG1 3.62Å; I93-V103 HydrophobicContact CG1-CG1 4.17Å; I93-V103 HydrophobicContact CG1-CG2 4.43Å; V103-H110 PolarHBondContact O-CD2 2.9Å; V103-I111 HydrophobicContact CB-CG1 4.02Å; V103-I111 HydrophobicContact CG1-CD1 3.81Å; V103-I111 HydrophobicContact CG1-CG1 3.84Å; V103-I111 VanDerWaalsContact O-CG1 3.28Å; V103-I111 WeakPolarHBondContact O-CG1 3.11Å; V103-I111 PolarHBondContact O-N 3.18Å; V103-G112 WeakPolarHBondContact CB-O 3.26Å; V103-G112 PolarHBondContact N-O 3.49Å; V103-I114 HydrophobicContact CG2-CD1 3.82Å; V103-I114 HydrophobicContact CG2-CG1 4.01Å |
| 104 | F | 97.8 | Very high | 94.2 | Very high | 42 Ų | 42 | 44.7 Ų | 44.7 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.4 | -178.3 | -62.7 | -96.6 | 0 | 0 | 0 | 111.7 | H91 E92 L94 S109 H110 | H91-F104 PolarHBondContact N-O 3.48Å; E92-F104 HydrophobicContact CB-CB 4.44Å; E92-F104 PolarHBondContact N-O 3.49Å; E92-F104 PolarHBondContact O-N 3.05Å; L94-F104 HydrophobicContact CB-CE2 4.44Å; L94-F104 HydrophobicContact CD1-CD2 4.32Å; L94-F104 HydrophobicContact CD1-CE2 3.48Å; L94-F104 VanDerWaalsContact CD1-CE2 3.48Å; L94-F104 HydrophobicContact CD1-CZ 4Å; L94-F104 HydrophobicContact CG-CD2 4.15Å; L94-F104 HydrophobicContact CG-CE2 3.69Å; F104-S109 VanDerWaalsContact CA-O 3.3Å; F104-S109 WeakPolarHBondContact CA-O 3.31Å; F104-H110 HydrophobicContact CD1-CB 4.07Å; F104-H110 HydrophobicContact CE1-CB 3.72Å; F104-H110 HydrophobicContact CZ-CB 4.34Å |
| 105 | D | 95.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 179 | 173.5 | 76 | 3 | 0 | 0 | 0 | 112.9 | N89 H91 G107 E108 S109 I111 | N89-D105 WeakPolarHBondContact O-CA 3.38Å; H91-D105 VanDerWaalsContact CB-O 3.3Å; H91-D105 WeakPolarHBondContact CB-O 3.06Å; D105-G107 PolarHBondContact O-N 3.38Å; D105-G107 VanDerWaalsContact OD1-CA 3.24Å; D105-G107 WeakPolarHBondContact OD1-CA 3.48Å; D105-G107 PolarHBondContact OD1-N 3.39Å; D105-E108 PolarHBondContact O-N 2.89Å; D105-E108 PolarHBondContact OD1-N 3.44Å; D105-S109 PolarHBondContact N-O 3.1Å; D105-S109 WeakPolarHBondContact OD1-CB 3.49Å; D105-S109 PolarHBondContact OD1-N 2.83Å; D105-I111 HydrophobicContact CB-CD1 4.44Å; D105-I111 HydrophobicContact CB-CG2 3.85Å |
| 106 | F | 92.9 | Very high | 94.1 | Very high | 144 Ų | 144 | 44.6 Ų | 44.6 | 63% | 0.632 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11.6 | 177.8 | -77.6 | -88.7 | 0 | 0 | 0 | 114.3 | N89 H91 E108 | N89-F106 HydrophobicContact CB-CD2 4.02Å; N89-F106 HydrophobicContact CB-CE2 4.03Å; H91-F106 HydrophobicContact CB-CB 4.44Å; H91-F106 HydrophobicContact CB-CD1 4.09Å; H91-F106 HydrophobicContact CB-CD2 4.05Å; H91-F106 HydrophobicContact CB-CE1 4.36Å; H91-F106 HydrophobicContact CB-CE2 4.29Å; H91-F106 HydrophobicContact CB-CG 3.94Å; H91-F106 HydrophobicContact CB-CZ 4.45Å; H91-F106 AromaticContact CG-CD1 3.93Å; H91-F106 AromaticContact ND1-CD1 3.4Å; H91-F106 WeakPolarHBondContact ND1-CD1 3.25Å; H91-F106 AromaticContact ND1-CE1 3.3Å; H91-F106 VanDerWaalsContact ND1-CE1 3.3Å; H91-F106 WeakPolarHBondContact ND1-CE1 3.38Å; H91-F106 AromaticContact ND1-CZ 3.96Å; F106-E108 VanDerWaalsContact C-N 3.26Å |
| 107 | G | 91.6 | Very high | 94 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 56% | 0.557 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 10.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D105 S109 | D105-G107 PolarHBondContact O-N 3.38Å; D105-G107 VanDerWaalsContact OD1-CA 3.24Å; D105-G107 WeakPolarHBondContact OD1-CA 3.48Å; D105-G107 PolarHBondContact OD1-N 3.39Å; G107-S109 PolarHBondContact O-N 2.59Å; G107-S109 VanDerWaalsContact O-N 3.14Å |
| 108 | E | 92.3 | Very high | 94.1 | Very high | 163 Ų | 163 | 42.9 Ų | 42.9 | 76% | 0.762 | 22% | 0.22 | S | C | * | . | S | Bend | trans | 57.7 | 21.2 | -173.4 | -57.2 | 178.7 | 176.5 | 0 | 0 | 112.6 | D105 F106 | D105-E108 PolarHBondContact O-N 2.89Å; D105-E108 PolarHBondContact OD1-N 3.44Å; F106-E108 VanDerWaalsContact C-N 3.26Å |
| 109 | S | 93.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 40.7 Ų | 40.7 | 45% | 0.448 | 21% | 0.212 | S | C | . | . | trans | -88.2 | 132 | 178.7 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | F104 D105 G107 I111 | F104-S109 VanDerWaalsContact CA-O 3.3Å; F104-S109 WeakPolarHBondContact CA-O 3.31Å; D105-S109 PolarHBondContact N-O 3.1Å; D105-S109 WeakPolarHBondContact OD1-CB 3.49Å; D105-S109 PolarHBondContact OD1-N 2.83Å; G107-S109 PolarHBondContact O-N 2.59Å; G107-S109 VanDerWaalsContact O-N 3.14Å; S109-I111 PolarHBondContact O-N 3.16Å | ||
| 110 | H | 95.5 | Very high | 94.5 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 27% | 0.269 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 120.7 | 171.7 | 179.1 | -126.5 | 0 | 0 | 0 | 109 | Y102 V103 F104 G112 N113 I187 | Y102-H110 AromaticContact CD1-CD2 3.82Å; Y102-H110 AromaticContact CD1-CE1 3.88Å; Y102-H110 AromaticContact CD1-NE2 3.35Å; Y102-H110 VanDerWaalsContact CD1-NE2 3.35Å; Y102-H110 WeakPolarHBondContact CD1-NE2 3.48Å; V103-H110 PolarHBondContact O-CD2 2.9Å; F104-H110 HydrophobicContact CD1-CB 4.07Å; F104-H110 HydrophobicContact CE1-CB 3.72Å; F104-H110 HydrophobicContact CZ-CB 4.34Å; H110-G112 PolarHBondContact NE2-O 3.5Å; H110-N113 PolarHBondContact CE1-OD1 2.83Å; H110-N113 PolarHBondContact NE2-OD1 2.88Å; H110-I187 VanDerWaalsContact ND1-CD1 3.33Å; H110-I187 WeakPolarHBondContact ND1-CD1 3.15Å; H110-I187 WeakPolarHBondContact O-CD1 3.42Å |
| 111 | I | 94.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -8 | -176.5 | 58 | 167.9 | 0 | 0 | 0 | 113.2 | F85 V90 V103 D105 S109 I187 | F85-I111 HydrophobicContact CB-CD1 4.18Å; F85-I111 HydrophobicContact CD1-CD1 4.34Å; F85-I111 HydrophobicContact CD1-CG1 4.4Å; V90-I111 HydrophobicContact CG2-CD1 4.23Å; V103-I111 HydrophobicContact CB-CG1 4.02Å; V103-I111 HydrophobicContact CG1-CD1 3.81Å; V103-I111 HydrophobicContact CG1-CG1 3.84Å; V103-I111 VanDerWaalsContact O-CG1 3.28Å; V103-I111 WeakPolarHBondContact O-CG1 3.11Å; V103-I111 PolarHBondContact O-N 3.18Å; D105-I111 HydrophobicContact CB-CD1 4.44Å; D105-I111 HydrophobicContact CB-CG2 3.85Å; S109-I111 PolarHBondContact O-N 3.16Å; I111-I187 PolarHBondContact O-N 3.02Å |
| 112 | G | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.2 | -171.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V103 H110 F185 | V103-G112 WeakPolarHBondContact CB-O 3.26Å; V103-G112 PolarHBondContact N-O 3.49Å; H110-G112 PolarHBondContact NE2-O 3.5Å; G112-F185 CarbonylContact C-O 3.46Å; G112-F185 WeakPolarHBondContact CA-O 3.17Å |
| 113 | N | 96.6 | Very high | 94.3 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.6 | -170.3 | -64.9 | 91.5 | 0 | 0 | 0 | 112 | D101 Y102 H110 F185 | D101-N113 CarbonylContact O-C 3.58Å; D101-N113 WeakPolarHBondContact O-CA 3.3Å; Y102-N113 WeakPolarHBondContact CD1-ND2 3.5Å; Y102-N113 WeakPolarHBondContact CE1-ND2 3.37Å; H110-N113 PolarHBondContact CE1-OD1 2.83Å; H110-N113 PolarHBondContact NE2-OD1 2.88Å; N113-F185 HydrophobicContact CB-CB 4.26Å; N113-F185 HydrophobicContact CB-CD1 4.15Å; N113-F185 PolarHBondContact N-O 3.1Å; N113-F185 PolarHBondContact O-N 3.25Å; N113-F185 WeakPolarHBondContact OD1-CD1 3.21Å |
| 114 | I | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.6 | 171.5 | -62.6 | 170 | 0 | 0 | 0 | 107.1 | F85 D101 V103 T156 M158 L164 F166 | F85-I114 HydrophobicContact CD2-CD1 4.22Å; F85-I114 HydrophobicContact CD2-CG1 4.48Å; F85-I114 HydrophobicContact CE2-CD1 3.92Å; F85-I114 HydrophobicContact CE2-CG1 3.72Å; F85-I114 HydrophobicContact CZ-CD1 4.41Å; F85-I114 HydrophobicContact CZ-CG1 3.84Å; D101-I114 HydrophobicContact CB-CB 4.14Å; D101-I114 VanDerWaalsContact CB-O 3.26Å; D101-I114 WeakPolarHBondContact CB-O 3.37Å; D101-I114 PolarHBondContact N-O 3.37Å; D101-I114 PolarHBondContact O-N 3.39Å; V103-I114 HydrophobicContact CG2-CD1 3.82Å; V103-I114 HydrophobicContact CG2-CG1 4.01Å; I114-T156 HydrophobicContact CG2-CG2 3.89Å; I114-M158 HydrophobicContact CD1-CE 3.42Å; I114-M158 VanDerWaalsContact CD1-CE 3.42Å; I114-M158 HydrophobicContact CD1-SD 4.39Å; I114-L164 HydrophobicContact CD1-CD1 4.09Å; I114-L164 HydrophobicContact CD1-CD2 3.92Å; I114-L164 HydrophobicContact CG1-CD2 4Å; I114-L164 HydrophobicContact CG2-CD1 4.1Å; I114-L164 HydrophobicContact CG2-CD2 4.05Å; I114-F166 HydrophobicContact CG2-CE1 3.56Å; I114-F166 HydrophobicContact CG2-CZ 3.78Å |
| 115 | D | 96 | Very high | 94 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 8% | 0.075 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.3 | -171.6 | -71 | -5.8 | 0 | 0 | 0 | 108.6 | G100 Y117 S182 K183 | G100-D115 WeakPolarHBondContact CA-OD1 3.44Å; D115-Y117 HydrophobicContact CB-CD1 3.78Å; D115-Y117 HydrophobicContact CB-CE1 3.65Å; D115-S182 CarbonylContact O-C 3.55Å; D115-S182 WeakPolarHBondContact O-CA 3.5Å; D115-K183 HydrophobicContact CB-CG 3.56Å; D115-K183 PolarHBondContact N-O 3.07Å; D115-K183 PolarHBondContact O-N 3.43Å; D115-K183 VanDerWaalsContact O-O 3.06Å; D115-K183 WeakPolarHBondContact OD2-CE 3.38Å |
| 116 | N | 96.1 | Very high | 94 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 78.1 | 173.2 | -169.8 | 21.3 | 0 | 0 | 0 | 108.7 | M154 T155 T156 F166 Y168 S182 | N116-M154 WeakPolarHBondContact OD1-CE 3.46Å; N116-T155 PolarHBondContact ND2-O 2.96Å; N116-T155 VanDerWaalsContact ND2-O 3.16Å; N116-T156 VanDerWaalsContact CB-OG1 3.25Å; N116-T156 WeakPolarHBondContact CB-OG1 3.29Å; N116-T156 PolarHBondContact ND2-OG1 2.85Å; N116-T156 VanDerWaalsContact ND2-OG1 3.1Å; N116-F166 HydrophobicContact CB-CD1 3.97Å; N116-F166 HydrophobicContact CB-CD2 4.42Å; N116-F166 HydrophobicContact CB-CE1 3.95Å; N116-F166 HydrophobicContact CB-CE2 4.38Å; N116-F166 HydrophobicContact CB-CG 4.22Å; N116-F166 HydrophobicContact CB-CZ 4.16Å; N116-Y168 WeakPolarHBondContact OD1-CE1 3.43Å; N116-S182 PolarHBondContact OD1-OG 2.84Å |
| 117 | Y | 91.6 | Very high | 94.2 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 167.1 | -166.8 | 73.1 | -89.8 | 0 | 0 | 0 | 112.5 | D115 N119 Q181 | D115-Y117 HydrophobicContact CB-CD1 3.78Å; D115-Y117 HydrophobicContact CB-CE1 3.65Å; Y117-N119 WeakPolarHBondContact CE2-OD1 3.07Å; Y117-Q181 HydrophobicContact CD1-CB 3.94Å; Y117-Q181 HydrophobicContact CD2-CB 4.01Å; Y117-Q181 HydrophobicContact CD2-CG 4.42Å; Y117-Q181 HydrophobicContact CE1-CB 3.56Å; Y117-Q181 HydrophobicContact CE1-CG 4.39Å; Y117-Q181 HydrophobicContact CE2-CB 3.62Å; Y117-Q181 HydrophobicContact CE2-CG 3.72Å; Y117-Q181 HydrophobicContact CG-CB 4.15Å; Y117-Q181 PolarHBondContact N-O 3.48Å; Y117-Q181 CarbonylContact O-C 3.44Å; Y117-Q181 WeakPolarHBondContact O-CA 3.09Å; Y117-Q181 PolarHBondContact O-N 2.94Å; Y117-Q181 VanDerWaalsContact O-O 3.09Å |
| 118 | I | 93.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.2 | 172.7 | -52.7 | -174.7 | 0 | 0 | 0 | 108.7 | Y121 F141 I143 A152 M154 I171 I175 K179 L180 | I118-Y121 WeakPolarHBondContact O-CD1 3.46Å; I118-F141 HydrophobicContact CB-CD2 4.18Å; I118-F141 HydrophobicContact CB-CG 4.24Å; I118-F141 HydrophobicContact CD1-CD2 4.17Å; I118-F141 HydrophobicContact CG1-CD2 3.93Å; I118-F141 HydrophobicContact CG1-CE2 4.25Å; I118-F141 HydrophobicContact CG1-CG 4.44Å; I118-I143 HydrophobicContact CB-CD1 4.15Å; I118-I143 HydrophobicContact CD1-CD1 3.87Å; I118-I143 HydrophobicContact CG2-CD1 3.52Å; I118-A152 HydrophobicContact CD1-CB 3.25Å; I118-M154 HydrophobicContact CD1-SD 3.98Å; I118-M154 HydrophobicContact CG1-SD 3.53Å; I118-M154 VanDerWaalsContact CG1-SD 3.53Å; I118-I171 HydrophobicContact CD1-CD1 4.46Å; I118-I175 HydrophobicContact CD1-CD1 4.42Å; I118-I175 HydrophobicContact CG2-CG2 4.44Å; I118-K179 CarbonylContact C-O 3.55Å; I118-K179 WeakPolarHBondContact CA-O 3.47Å; I118-K179 HydrophobicContact CG2-CB 3.76Å; I118-L180 HydrophobicContact CD1-CD2 3.64Å; I118-L180 HydrophobicContact CG1-CD2 3.81Å; I118-L180 HydrophobicContact CG2-CD2 4.33Å |
| 119 | N | 91.6 | Very high | 94.7 | Very high | 60 Ų | 60 | 41.2 Ų | 41.2 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -82 | 157.7 | 173.5 | -88 | -38.8 | 0 | 0 | 0 | 112.4 | Y117 Y121 K179 Q181 | Y117-N119 WeakPolarHBondContact CE2-OD1 3.07Å; N119-Y121 PolarHBondContact O-N 3.33Å; N119-K179 PolarHBondContact N-O 2.86Å; N119-Q181 WeakPolarHBondContact ND2-CG 3.42Å |
| 120 | N | 89.2 | Confident | 94.8 | Very high | 128 Ų | 128 | 40 Ų | 40 | 68% | 0.684 | 19% | 0.188 | S | C | * | . | S | Bend | trans | 57.1 | 45.6 | 174.2 | -58.8 | -34.1 | 0 | 0 | 0 | 113.8 | K179 | N120-K179 HydrophobicContact CB-CD 4.41Š|
| 121 | Y | 92.4 | Very high | 94.8 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 24% | 0.239 | 19% | 0.19 | C | C | . | . | trans | -89.6 | 160.3 | 171.3 | 61.3 | -88.9 | 0 | 0 | 0 | 111.5 | H98 I118 N119 K123 S124 F141 | H98-Y121 VanDerWaalsContact CA-OH 3.3Å; H98-Y121 WeakPolarHBondContact CA-OH 3.31Å; H98-Y121 WeakPolarHBondContact CB-OH 3.41Å; H98-Y121 AromaticContact ND1-CZ 3.97Å; H98-Y121 PolarHBondContact ND1-OH 2.93Å; I118-Y121 WeakPolarHBondContact O-CD1 3.46Å; N119-Y121 PolarHBondContact O-N 3.33Å; Y121-K123 VanDerWaalsContact CD2-C 3.49Å; Y121-S124 WeakPolarHBondContact CE2-OG 3.46Å; Y121-F141 AromaticContact CD1-CD1 3.77Å; Y121-F141 HydrophobicContact CD1-CD1 3.77Å; Y121-F141 HydrophobicContact CD1-CE1 4.09Å; Y121-F141 HydrophobicContact CD2-CD1 4.24Å; Y121-F141 HydrophobicContact CE1-CD1 4.2Å; Y121-F141 HydrophobicContact CE1-CE1 4.09Å; Y121-F141 AromaticContact CG-CD1 3.78Å; Y121-F141 HydrophobicContact CG-CD1 3.78Å; Y121-F141 HydrophobicContact CG-CE1 4.48Å | ||
| 122 | E | 93.4 | Very high | 94.8 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 52% | 0.523 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -90.2 | -40 | 174.5 | -64.5 | -167.4 | 160.1 | 0 | 0 | 112.4 | S142 N144 | E122-S142 PolarHBondContact N-O 2.72Å; E122-N144 HydrophobicContact CG-CB 4.27Å; E122-N144 WeakPolarHBondContact OE1-CB 3.46Å |
| 123 | K | 93.8 | Very high | 94.7 | Very high | 133 Ų | 133 | 52.7 Ų | 52.7 | 58% | 0.578 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 143.4 | 178.4 | -57.3 | 171.9 | -171.9 | 152.4 | 0 | 109.9 | Y121 F141 S142 | Y121-K123 VanDerWaalsContact CD2-C 3.49Å; K123-F141 WeakPolarHBondContact O-CA 3.38Å; K123-S142 PolarHBondContact N-O 3.38Å; K123-S142 PolarHBondContact O-N 3.11Å |
| 124 | S | 94.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.4 | 169.2 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | N97 H98 Y121 N140 | N97-S124 PolarHBondContact ND2-OG 3.16Å; N97-S124 PolarHBondContact O-OG 3.13Å; N97-S124 PolarHBondContact OD1-OG 2.83Å; H98-S124 PolarHBondContact CE1-OG 3Å; H98-S124 PolarHBondContact ND1-OG 2.94Å; Y121-S124 WeakPolarHBondContact CE2-OG 3.46Å; S124-N140 CarbonylContact C-O 3.52Å; S124-N140 VanDerWaalsContact CA-O 3.28Å; S124-N140 WeakPolarHBondContact CA-O 3.43Å |
| 125 | E | 95.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 122.9 | 168.7 | 173.7 | 170.1 | 151.5 | 0 | 0 | 109.4 | K70 R127 R139 N140 | K70-E125 HydrophobicContact CD-CG 4.15Å; K70-E125 WeakPolarHBondContact CE-OE2 3.48Å; K70-E125 HydrophobicContact CG-CG 4.3Å; K70-E125 IonicContact NZ-OE1 2.72Å; K70-E125 IonicContact NZ-OE2 3.03Å; K70-E125 PolarHBondContact NZ-OE2 3.1Å; E125-R127 HydrophobicContact CG-CG 4.43Å; E125-R127 IonicContact OE1-CZ 3.95Å; E125-R127 IonicContact OE1-NE 2.77Å; E125-R127 PolarHBondContact OE1-NE 2.82Å; E125-R127 IonicContact OE1-NH2 3.18Å; E125-R127 PolarHBondContact OE1-NH2 2.77Å; E125-R139 CarbonylContact O-C 3.52Å; E125-R139 WeakPolarHBondContact O-CA 3.43Å; E125-N140 HydrophobicContact CB-CB 4.37Å; E125-N140 PolarHBondContact N-O 3.32Å; E125-N140 PolarHBondContact O-N 3.48Å |
| 126 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.9 | 175 | 177.1 | 67.7 | 0 | 0 | 0 | 110.1 | V71 F95 N97 V137 R139 | V71-L126 HydrophobicContact CB-CB 4.21Å; V71-L126 HydrophobicContact CB-CD2 3.87Å; V71-L126 HydrophobicContact CB-CG 4.08Å; V71-L126 HydrophobicContact CG1-CD2 3.96Å; V71-L126 HydrophobicContact CG2-CD2 4.18Å; V71-L126 HydrophobicContact CG2-CG 4.28Å; V71-L126 PolarHBondContact N-O 2.95Å; F95-L126 HydrophobicContact CB-CD2 4Å; N97-L126 HydrophobicContact CB-CB 4.13Å; N97-L126 HydrophobicContact CB-CD2 4.39Å; N97-L126 VanDerWaalsContact OD1-CB 3.32Å; N97-L126 WeakPolarHBondContact OD1-CB 3.48Å; N97-L126 PolarHBondContact OD1-N 3Å; N97-L126 VanDerWaalsContact OD1-N 3.11Å; L126-V137 HydrophobicContact CD1-CB 3.6Å; L126-V137 HydrophobicContact CD1-CG1 3.89Å; L126-V137 HydrophobicContact CD1-CG2 4.2Å; L126-R139 HydrophobicContact CD1-CG 3.64Å |
| 127 | R | 97.2 | Very high | 94.8 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 34% | 0.343 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.4 | 169.6 | -61.3 | -172.6 | -177.9 | 179.1 | 3.2 | 111.6 | F67 E69 E125 V137 Q138 | F67-R127 HydrophobicContact CB-CB 3.72Å; F67-R127 WeakPolarHBondContact O-CD 3.43Å; E69-R127 CarbonylContact O-C 3.51Å; E69-R127 WeakPolarHBondContact O-CA 3.36Å; E125-R127 HydrophobicContact CG-CG 4.43Å; E125-R127 IonicContact OE1-CZ 3.95Å; E125-R127 IonicContact OE1-NE 2.77Å; E125-R127 PolarHBondContact OE1-NE 2.82Å; E125-R127 IonicContact OE1-NH2 3.18Å; E125-R127 PolarHBondContact OE1-NH2 2.77Å; R127-V137 CarbonylContact O-C 3.52Å; R127-V137 VanDerWaalsContact O-CA 3.25Å; R127-V137 WeakPolarHBondContact O-CA 3.36Å; R127-Q138 PolarHBondContact N-O 3.36Å; R127-Q138 PolarHBondContact O-N 3.26Å |
| 128 | V | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.03 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144.6 | -173.9 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | K68 E69 V71 Y75 N130 V137 | K68-V128 PolarHBondContact N-O 3.1Å; E69-V128 PolarHBondContact O-N 2.81Å; V71-V128 HydrophobicContact CG2-CG2 3.47Å; V71-V128 VanDerWaalsContact CG2-CG2 3.47Å; Y75-V128 HydrophobicContact CD1-CG1 4.01Å; Y75-V128 HydrophobicContact CD1-CG2 4.01Å; Y75-V128 HydrophobicContact CD2-CG2 4.14Å; Y75-V128 HydrophobicContact CE1-CG1 3.7Å; Y75-V128 HydrophobicContact CE1-CG2 4.47Å; Y75-V128 HydrophobicContact CE2-CG1 4.49Å; Y75-V128 HydrophobicContact CG-CG1 4.5Å; Y75-V128 HydrophobicContact CG-CG2 3.8Å; V128-N130 HydrophobicContact CG1-CB 4.17Å; V128-V137 HydrophobicContact CG2-CG1 3.92Å |
| 129 | L | 97 | Very high | 95.3 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116 | 166.1 | 178.6 | 72.9 | 0 | 0 | 0 | 108.1 | V62 R66 F67 E131 L134 L135 G136 L157 | V62-L129 HydrophobicContact CG1-CD2 3.99Å; R66-L129 HydrophobicContact CB-CD1 3.77Å; R66-L129 VanDerWaalsContact O-CD1 3.26Å; R66-L129 WeakPolarHBondContact O-CD1 3.45Å; F67-L129 HydrophobicContact CD1-CB 3.63Å; F67-L129 HydrophobicContact CE1-CB 3.62Å; F67-L129 HydrophobicContact CE1-CD2 4.4Å; F67-L129 HydrophobicContact CG-CB 4.3Å; F67-L129 HydrophobicContact CZ-CB 4.29Å; F67-L129 HydrophobicContact CZ-CD2 4.29Å; L129-E131 HydrophobicContact CD1-CG 3.88Å; L129-E131 VanDerWaalsContact CD1-OE1 3.26Å; L129-E131 WeakPolarHBondContact CD1-OE1 3.38Å; L129-E131 HydrophobicContact CG-CG 4.34Å; L129-L134 HydrophobicContact CD2-CB 4.43Å; L129-L134 HydrophobicContact CD2-CD2 3.62Å; L129-L134 HydrophobicContact CD2-CG 3.86Å; L129-L135 CarbonylContact O-C 3.53Å; L129-L135 WeakPolarHBondContact O-CA 3.34Å; L129-L135 WeakPolarHBondContact O-CD1 3.37Å; L129-G136 PolarHBondContact N-O 2.85Å; L129-G136 PolarHBondContact O-N 2.88Å; L129-L157 HydrophobicContact CD2-CD2 4.36Å |
| 130 | N | 95.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 20% | 0.198 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 81.8 | -178.2 | -176.6 | -2.2 | 0 | 0 | 0 | 110.8 | Y75 K80 V128 L135 | Y75-N130 PolarHBondContact OH-ND2 3.18Å; Y75-N130 VanDerWaalsContact OH-ND2 3.13Å; K80-N130 WeakPolarHBondContact CE-OD1 3.3Å; K80-N130 PolarHBondContact NZ-O 3.47Å; V128-N130 HydrophobicContact CG1-CB 4.17Å; N130-L135 HydrophobicContact CB-CD1 3.87Å |
| 131 | E | 95 | Very high | 95.8 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 30% | 0.304 | 20% | 0.199 | S | C | . | . | trans | -110.1 | 176 | -176.9 | -61.4 | -173.5 | -172.8 | 0 | 0 | 111.7 | R66 L129 E133 L134 | R66-E131 IonicContact CZ-OE1 3.71Å; R66-E131 IonicContact CZ-OE2 2.84Å; R66-E131 IonicContact NE-OE1 3.79Å; R66-E131 PolarHBondContact NE-OE1 3.33Å; R66-E131 IonicContact NH2-OE1 3.65Å; R66-E131 PolarHBondContact NH2-OE1 3.11Å; R66-E131 IonicContact NH2-OE2 3.94Å; R66-E131 PolarHBondContact NH2-OE2 3.02Å; L129-E131 HydrophobicContact CD1-CG 3.88Å; L129-E131 VanDerWaalsContact CD1-OE1 3.26Å; L129-E131 WeakPolarHBondContact CD1-OE1 3.38Å; L129-E131 HydrophobicContact CG-CG 4.34Å; E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3Å; E131-L134 PolarHBondContact N-O 2.88Å | ||
| 132 | E | 94.5 | Very high | 95.9 | Very high | 156 Ų | 156 | 41.2 Ų | 41.2 | 73% | 0.729 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -66.9 | -33.4 | -175.3 | -68.2 | -174.4 | 171.7 | 0 | 0 | 113.4 | F81 | F81-E132 WeakPolarHBondContact CD1-O 3.33Š|
| 133 | E | 94.1 | Very high | 96 | Very high | 115 Ų | 115 | 35.9 Ų | 35.9 | 54% | 0.537 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -119.8 | 13 | -176.8 | -60.9 | -170.3 | 152.1 | 0 | 0 | 112.7 | E131 P160 H348 | E131-E133 VanDerWaalsContact C-N 3.34Å; E131-E133 PolarHBondContact O-N 3Å; E133-P160 HydrophobicContact CB-CG 4.05Å; E133-P160 WeakPolarHBondContact O-CD 3.43Å; E133-P160 WeakPolarHBondContact O-CG 3.29Å; E133-H348 IonicContact OE2-CE1 2.73Å |
| 134 | L | 96.4 | Very high | 96 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | trans | -159.8 | 126.8 | -179.4 | -162.8 | 57.5 | 0 | 0 | 0 | 111.4 | V62 L129 E131 L157 | V62-L134 HydrophobicContact CG2-CD2 3.73Å; L129-L134 HydrophobicContact CD2-CB 4.43Å; L129-L134 HydrophobicContact CD2-CD2 3.62Å; L129-L134 HydrophobicContact CD2-CG 3.86Å; E131-L134 PolarHBondContact N-O 2.88Å; L134-L157 HydrophobicContact CD1-CB 4.38Å; L134-L157 HydrophobicContact CD1-CD2 4.37Å; L134-L157 HydrophobicContact CD2-CD2 4.39Å; L134-L157 HydrophobicContact CG-CD2 4.37Å | ||
| 135 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139.1 | 169.8 | -179.6 | 66.6 | 0 | 0 | 0 | 108.2 | A77 P79 F81 I93 F95 L129 N130 L157 M158 | A77-L135 HydrophobicContact CB-CD1 3.96Å; A77-L135 HydrophobicContact CB-CD2 4.01Å; P79-L135 HydrophobicContact CB-CD2 4.43Å; P79-L135 HydrophobicContact CG-CD2 3.91Å; F81-L135 HydrophobicContact CE1-CB 3.99Å; F81-L135 HydrophobicContact CZ-CB 3.91Å; I93-L135 HydrophobicContact CD1-CD2 3.72Å; F95-L135 HydrophobicContact CE2-CD1 4.06Å; F95-L135 HydrophobicContact CE2-CD2 4.21Å; F95-L135 HydrophobicContact CE2-CG 4.14Å; F95-L135 HydrophobicContact CZ-CD1 4.44Å; F95-L135 HydrophobicContact CZ-CD2 4.05Å; F95-L135 HydrophobicContact CZ-CG 4.03Å; L129-L135 CarbonylContact O-C 3.53Å; L129-L135 WeakPolarHBondContact O-CA 3.34Å; L129-L135 WeakPolarHBondContact O-CD1 3.37Å; N130-L135 HydrophobicContact CB-CD1 3.87Å; L135-L157 CarbonylContact O-C 3.59Å; L135-M158 HydrophobicContact CB-CB 4.4Å; L135-M158 HydrophobicContact CD2-SD 4.29Å; L135-M158 PolarHBondContact N-O 3.29Å; L135-M158 PolarHBondContact O-N 2.87Å |
| 136 | G | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.7 | 173.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | L129 T156 | L129-G136 PolarHBondContact N-O 2.85Å; L129-G136 PolarHBondContact O-N 2.88Å; G136-T156 CarbonylContact C-O 3.59Å; G136-T156 WeakPolarHBondContact CA-O 3.13Å |
| 137 | V | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146 | 178.9 | -68.5 | 0 | 0 | 0 | 0 | 111.6 | F67 F95 L126 R127 V128 T155 T156 | F67-V137 VanDerWaalsContact CE1-C 3.48Å; F95-V137 HydrophobicContact CB-CG1 4.02Å; F95-V137 HydrophobicContact CD1-CB 4.4Å; F95-V137 HydrophobicContact CD1-CG1 3.51Å; F95-V137 HydrophobicContact CD1-CG2 3.96Å; F95-V137 HydrophobicContact CD2-CG1 3.7Å; F95-V137 HydrophobicContact CE1-CG1 3.83Å; F95-V137 HydrophobicContact CE1-CG2 4.1Å; F95-V137 HydrophobicContact CE2-CG1 3.96Å; F95-V137 HydrophobicContact CG-CG1 3.48Å; F95-V137 VanDerWaalsContact CG-CG1 3.48Å; F95-V137 HydrophobicContact CZ-CG1 4.05Å; L126-V137 HydrophobicContact CD1-CB 3.6Å; L126-V137 HydrophobicContact CD1-CG1 3.89Å; L126-V137 HydrophobicContact CD1-CG2 4.2Å; R127-V137 CarbonylContact O-C 3.52Å; R127-V137 VanDerWaalsContact O-CA 3.25Å; R127-V137 WeakPolarHBondContact O-CA 3.36Å; V128-V137 HydrophobicContact CG2-CG1 3.92Å; V137-T155 CarbonylContact O-C 3.5Å; V137-T155 WeakPolarHBondContact O-CA 3.46Å; V137-T156 PolarHBondContact N-O 2.89Å; V137-T156 PolarHBondContact O-N 3.4Å |
| 138 | Q | 97.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.4 | 169.7 | -178.2 | 178 | 88 | 0 | 0 | 108.9 | S64 F67 R127 T153 M154 T155 | S64-Q138 PolarHBondContact OG-NE2 2.81Å; F67-Q138 HydrophobicContact CB-CB 4.37Å; F67-Q138 HydrophobicContact CD1-CB 3.78Å; F67-Q138 HydrophobicContact CD2-CB 4.07Å; F67-Q138 HydrophobicContact CE1-CB 4.04Å; F67-Q138 HydrophobicContact CE2-CB 4.31Å; F67-Q138 HydrophobicContact CG-CB 3.81Å; F67-Q138 HydrophobicContact CZ-CB 4.29Å; R127-Q138 PolarHBondContact N-O 3.36Å; R127-Q138 PolarHBondContact O-N 3.26Å; Q138-T153 HydrophobicContact CG-CG2 3.79Å; Q138-M154 WeakPolarHBondContact CA-O 3.44Å; Q138-T155 PolarHBondContact NE2-OG1 2.85Å |
| 139 | R | 96.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 2% | 0.023 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.4 | 178.7 | -69.6 | -177.4 | 170.4 | 89.1 | 11.3 | 110.4 | Y96 D101 E125 L126 F141 T153 M154 | Y96-R139 PolarHBondContact O-NH2 2.85Å; D101-R139 IonicContact OD1-CZ 3.82Å; D101-R139 IonicContact OD1-NH1 3.16Å; D101-R139 IonicContact OD1-NH2 3.62Å; D101-R139 PolarHBondContact OD1-NH2 2.79Å; D101-R139 IonicContact OD2-CZ 3.44Å; D101-R139 IonicContact OD2-NH1 3.13Å; D101-R139 PolarHBondContact OD2-NH1 2.79Å; D101-R139 IonicContact OD2-NH2 2.69Å; D101-R139 PolarHBondContact OD2-NH2 2.87Å; E125-R139 CarbonylContact O-C 3.52Å; E125-R139 WeakPolarHBondContact O-CA 3.43Å; L126-R139 HydrophobicContact CD1-CG 3.64Å; R139-F141 HydrophobicContact CB-CD2 4.34Å; R139-F141 HydrophobicContact CB-CE2 3.59Å; R139-F141 HydrophobicContact CB-CZ 3.84Å; R139-F141 HydrophobicContact CG-CZ 4.36Å; R139-T153 CarbonylContact O-C 3.47Å; R139-T153 VanDerWaalsContact O-CA 3.31Å; R139-T153 WeakPolarHBondContact O-CA 2.86Å; R139-M154 PolarHBondContact N-O 2.85Å; R139-M154 PolarHBondContact O-N 3.06Å |
| 140 | N | 96 | Very high | 95.2 | Very high | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.9 | 170 | -66.9 | -54.6 | 0 | 0 | 0 | 109.4 | S124 E125 T151 A152 T153 | S124-N140 CarbonylContact C-O 3.52Å; S124-N140 VanDerWaalsContact CA-O 3.28Å; S124-N140 WeakPolarHBondContact CA-O 3.43Å; E125-N140 HydrophobicContact CB-CB 4.37Å; E125-N140 PolarHBondContact N-O 3.32Å; E125-N140 PolarHBondContact O-N 3.48Å; N140-T151 HydrophobicContact CB-CG2 4.45Å; N140-A152 CarbonylContact C-O 3.48Å; N140-A152 VanDerWaalsContact CA-O 3.3Å; N140-A152 WeakPolarHBondContact CA-O 3.33Å; N140-T153 WeakPolarHBondContact OD1-CB 3.32Å; N140-T153 WeakPolarHBondContact OD1-CG2 3.38Å; N140-T153 PolarHBondContact OD1-OG1 3.01Å |
| 141 | F | 96 | Very high | 95.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.1 | 177.8 | -59.6 | -81.1 | 0 | 0 | 0 | 110 | I118 Y121 K123 R139 I143 T151 A152 M154 | I118-F141 HydrophobicContact CB-CD2 4.18Å; I118-F141 HydrophobicContact CB-CG 4.24Å; I118-F141 HydrophobicContact CD1-CD2 4.17Å; I118-F141 HydrophobicContact CG1-CD2 3.93Å; I118-F141 HydrophobicContact CG1-CE2 4.25Å; I118-F141 HydrophobicContact CG1-CG 4.44Å; Y121-F141 AromaticContact CD1-CD1 3.77Å; Y121-F141 HydrophobicContact CD1-CD1 3.77Å; Y121-F141 HydrophobicContact CD1-CE1 4.09Å; Y121-F141 HydrophobicContact CD2-CD1 4.24Å; Y121-F141 HydrophobicContact CE1-CD1 4.2Å; Y121-F141 HydrophobicContact CE1-CE1 4.09Å; Y121-F141 AromaticContact CG-CD1 3.78Å; Y121-F141 HydrophobicContact CG-CD1 3.78Å; Y121-F141 HydrophobicContact CG-CE1 4.48Å; K123-F141 WeakPolarHBondContact O-CA 3.38Å; R139-F141 HydrophobicContact CB-CD2 4.34Å; R139-F141 HydrophobicContact CB-CE2 3.59Å; R139-F141 HydrophobicContact CB-CZ 3.84Å; R139-F141 HydrophobicContact CG-CZ 4.36Å; F141-I143 HydrophobicContact CB-CD1 4.24Å; F141-I143 HydrophobicContact CB-CG1 4.37Å; F141-T151 CarbonylContact O-C 3.51Å; F141-T151 VanDerWaalsContact O-CA 3.3Å; F141-T151 WeakPolarHBondContact O-CA 3.44Å; F141-A152 PolarHBondContact N-O 2.97Å; F141-A152 PolarHBondContact O-N 2.83Å; F141-M154 HydrophobicContact CD2-SD 4.44Å; F141-M154 HydrophobicContact CE2-SD 4.09Å |
| 142 | S | 95.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 45 Ų | 45 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.6 | 165.5 | -79.3 | 0 | 0 | 0 | 0 | 109.4 | E122 K123 E149 F150 | E122-S142 PolarHBondContact N-O 2.72Å; K123-S142 PolarHBondContact N-O 3.38Å; K123-S142 PolarHBondContact O-N 3.11Å; S142-E149 VanDerWaalsContact CB-OE1 3.23Å; S142-E149 WeakPolarHBondContact CB-OE1 3.3Å; S142-E149 PolarHBondContact OG-OE1 3.03Å; S142-F150 CarbonylContact C-O 3.59Å; S142-F150 WeakPolarHBondContact CA-O 3.19Å |
| 143 | I | 94.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130 | -178.1 | -60.4 | 156.7 | 0 | 0 | 0 | 108.7 | I118 F141 V145 F150 A152 I175 | I118-I143 HydrophobicContact CB-CD1 4.15Å; I118-I143 HydrophobicContact CD1-CD1 3.87Å; I118-I143 HydrophobicContact CG2-CD1 3.52Å; F141-I143 HydrophobicContact CB-CD1 4.24Å; F141-I143 HydrophobicContact CB-CG1 4.37Å; I143-V145 HydrophobicContact CG2-CG2 4.09Å; I143-F150 PolarHBondContact N-O 3.08Å; I143-F150 PolarHBondContact O-N 3.31Å; I143-A152 HydrophobicContact CD1-CB 4.49Å; I143-I175 HydrophobicContact CD1-CD1 3.59Å; I143-I175 HydrophobicContact CD1-CG1 4.08Å; I143-I175 HydrophobicContact CD1-CG2 4.35Å |
| 144 | N | 93.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 33 Ų | 33 | 34% | 0.342 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.1 | 172.4 | -168.2 | -58.4 | 0 | 0 | 0 | 110.6 | E122 G147 A148 | E122-N144 HydrophobicContact CG-CB 4.27Å; E122-N144 WeakPolarHBondContact OE1-CB 3.46Å; N144-G147 VanDerWaalsContact OD1-CA 3.24Å; N144-G147 WeakPolarHBondContact OD1-CA 3.3Å; N144-G147 PolarHBondContact OD1-N 2.98Å; N144-A148 WeakPolarHBondContact CA-O 3.4Å |
| 145 | V | 92.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 32.4 Ų | 32.4 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 112.4 | 173 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | I143 G147 A148 F150 E174 | I143-V145 HydrophobicContact CG2-CG2 4.09Å; V145-G147 PolarHBondContact O-N 3.49Å; V145-G147 VanDerWaalsContact O-N 3.17Å; V145-A148 PolarHBondContact N-O 2.76Å; V145-A148 PolarHBondContact O-N 2.91Å; V145-F150 HydrophobicContact CB-CD2 3.95Å; V145-F150 HydrophobicContact CB-CE2 3.86Å; V145-F150 HydrophobicContact CG2-CD2 4.02Å; V145-F150 HydrophobicContact CG2-CE2 4.39Å; V145-E174 HydrophobicContact CG1-CB 4.35Å |
| 146 | N | 91.7 | Very high | 95.7 | Very high | 170 Ų | 170 | 32.4 Ų | 32.4 | 91% | 0.909 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 34.5 | 178.3 | -57.7 | -36.1 | 0 | 0 | 0 | 114.4 | ||
| 147 | G | 92 | Very high | 95.8 | Very high | 64 Ų | 64 | 32.5 Ų | 32.5 | 66% | 0.66 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -5.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | N144 V145 | N144-G147 VanDerWaalsContact OD1-CA 3.24Å; N144-G147 WeakPolarHBondContact OD1-CA 3.3Å; N144-G147 PolarHBondContact OD1-N 2.98Å; V145-G147 PolarHBondContact O-N 3.49Å; V145-G147 VanDerWaalsContact O-N 3.17Å |
| 148 | A | 94.8 | Very high | 95.8 | Very high | 45 Ų | 45 | 32.5 Ų | 32.5 | 37% | 0.372 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 135 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N144 V145 F150 | N144-A148 WeakPolarHBondContact CA-O 3.4Å; V145-A148 PolarHBondContact N-O 2.76Å; V145-A148 PolarHBondContact O-N 2.91Å; A148-F150 HydrophobicContact CB-CD2 4.43Å; A148-F150 HydrophobicContact CB-CE2 3.63Å; A148-F150 HydrophobicContact CB-CZ 4.03Å; A148-F150 WeakPolarHBondContact O-CD2 3.43Å |
| 149 | E | 94.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 34.2 Ų | 34.2 | 50% | 0.5 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129 | 176.1 | -172.2 | 178.3 | -167.9 | 0 | 0 | 109.8 | S142 | S142-E149 VanDerWaalsContact CB-OE1 3.23Å; S142-E149 WeakPolarHBondContact CB-OE1 3.3Å; S142-E149 PolarHBondContact OG-OE1 3.03Å |
| 150 | F | 96.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.5 | 176.4 | -65.8 | -85.9 | 0 | 0 | 0 | 109.5 | S142 I143 V145 A148 P172 E174 | S142-F150 CarbonylContact C-O 3.59Å; S142-F150 WeakPolarHBondContact CA-O 3.19Å; I143-F150 PolarHBondContact N-O 3.08Å; I143-F150 PolarHBondContact O-N 3.31Å; V145-F150 HydrophobicContact CB-CD2 3.95Å; V145-F150 HydrophobicContact CB-CE2 3.86Å; V145-F150 HydrophobicContact CG2-CD2 4.02Å; V145-F150 HydrophobicContact CG2-CE2 4.39Å; A148-F150 HydrophobicContact CB-CD2 4.43Å; A148-F150 HydrophobicContact CB-CE2 3.63Å; A148-F150 HydrophobicContact CB-CZ 4.03Å; A148-F150 WeakPolarHBondContact O-CD2 3.43Å; F150-P172 HydrophobicContact CB-CB 4.03Å; F150-P172 HydrophobicContact CB-CG 3.95Å; F150-P172 HydrophobicContact CD1-CB 3.81Å; F150-P172 HydrophobicContact CD1-CG 4.31Å; F150-P172 HydrophobicContact CG-CB 4.17Å; F150-E174 HydrophobicContact CD2-CB 4.36Å; F150-E174 HydrophobicContact CE1-CB 4.12Å; F150-E174 VanDerWaalsContact CE1-CD 3.46Å; F150-E174 HydrophobicContact CE1-CG 3.81Å; F150-E174 WeakPolarHBondContact CE1-OE2 3.25Å; F150-E174 HydrophobicContact CE2-CB 3.89Å; F150-E174 HydrophobicContact CE2-CG 4.13Å; F150-E174 HydrophobicContact CZ-CB 3.76Å; F150-E174 HydrophobicContact CZ-CG 3.5Å; F150-E174 VanDerWaalsContact CZ-CG 3.5Å |
| 151 | T | 96.7 | Very high | 95.1 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.7 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | N140 F141 N170 P172 | N140-T151 HydrophobicContact CB-CG2 4.45Å; F141-T151 CarbonylContact O-C 3.51Å; F141-T151 VanDerWaalsContact O-CA 3.3Å; F141-T151 WeakPolarHBondContact O-CA 3.44Å; T151-N170 PolarHBondContact O-ND2 3.2Å; T151-P172 WeakPolarHBondContact O-CG 3.15Å |
| 152 | A | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I118 N140 F141 I143 N170 I171 I175 | I118-A152 HydrophobicContact CD1-CB 3.25Å; N140-A152 CarbonylContact C-O 3.48Å; N140-A152 VanDerWaalsContact CA-O 3.3Å; N140-A152 WeakPolarHBondContact CA-O 3.33Å; F141-A152 PolarHBondContact N-O 2.97Å; F141-A152 PolarHBondContact O-N 2.83Å; I143-A152 HydrophobicContact CD1-CB 4.49Å; A152-N170 CarbonylContact C-O 3.58Å; A152-N170 WeakPolarHBondContact CA-O 3.18Å; A152-I171 HydrophobicContact CB-CD1 4.38Å; A152-I175 HydrophobicContact CB-CD1 3.86Å |
| 153 | T | 97 | Very high | 94.8 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.7 | -178.8 | -55.3 | 0 | 0 | 0 | 0 | 109.1 | Q138 R139 N140 D169 N170 | Q138-T153 HydrophobicContact CG-CG2 3.79Å; R139-T153 CarbonylContact O-C 3.47Å; R139-T153 VanDerWaalsContact O-CA 3.31Å; R139-T153 WeakPolarHBondContact O-CA 2.86Å; N140-T153 WeakPolarHBondContact OD1-CB 3.32Å; N140-T153 WeakPolarHBondContact OD1-CG2 3.38Å; N140-T153 PolarHBondContact OD1-OG1 3.01Å; T153-D169 HydrophobicContact CG2-CB 3.66Å; T153-D169 PolarHBondContact O-N 2.9Å; T153-D169 VanDerWaalsContact O-N 3.07Å; T153-N170 PolarHBondContact N-O 3.05Å; T153-N170 PolarHBondContact O-N 2.98Å; T153-N170 VanDerWaalsContact O-N 3.11Å |
| 154 | M | 97 | Very high | 95 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133 | -176.4 | -53.7 | 178.8 | 89.2 | 0 | 0 | 109.4 | N116 I118 Q138 R139 F141 Y168 I171 I206 | N116-M154 WeakPolarHBondContact OD1-CE 3.46Å; I118-M154 HydrophobicContact CD1-SD 3.98Å; I118-M154 HydrophobicContact CG1-SD 3.53Å; I118-M154 VanDerWaalsContact CG1-SD 3.53Å; Q138-M154 WeakPolarHBondContact CA-O 3.44Å; R139-M154 PolarHBondContact N-O 2.85Å; R139-M154 PolarHBondContact O-N 3.06Å; F141-M154 HydrophobicContact CD2-SD 4.44Å; F141-M154 HydrophobicContact CE2-SD 4.09Å; M154-Y168 HydrophobicContact CE-CD1 3.54Å; M154-Y168 HydrophobicContact CE-CE1 3.4Å; M154-Y168 VanDerWaalsContact CE-CE1 3.4Å; M154-Y168 HydrophobicContact CG-CD1 4.36Å; M154-I171 HydrophobicContact CE-CD1 4.19Å; M154-I171 HydrophobicContact CG-CD1 3.9Å; M154-I171 HydrophobicContact SD-CD1 4.29Å; M154-I206 HydrophobicContact CE-CG2 4.13Å |
| 155 | T | 97.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.2 | -177.5 | -61.2 | 0 | 0 | 0 | 0 | 110.3 | F67 N116 V137 Q138 L157 F166 Y167 D169 | F67-T155 HydrophobicContact CE1-CG2 4.24Å; F67-T155 HydrophobicContact CE2-CG2 4.14Å; F67-T155 HydrophobicContact CZ-CG2 3.49Å; F67-T155 VanDerWaalsContact CZ-CG2 3.49Å; N116-T155 PolarHBondContact ND2-O 2.96Å; N116-T155 VanDerWaalsContact ND2-O 3.16Å; V137-T155 CarbonylContact O-C 3.5Å; V137-T155 WeakPolarHBondContact O-CA 3.46Å; Q138-T155 PolarHBondContact NE2-OG1 2.85Å; T155-L157 HydrophobicContact CG2-CD1 4.47Å; T155-L157 HydrophobicContact CG2-CD2 4.11Å; T155-L157 HydrophobicContact CG2-CG 4Å; T155-F166 CarbonylContact O-C 3.6Å; T155-F166 WeakPolarHBondContact O-CA 3.21Å; T155-Y167 PolarHBondContact N-O 2.84Å; T155-Y167 PolarHBondContact O-N 2.84Å; T155-D169 WeakPolarHBondContact CB-OD2 3.38Å; T155-D169 PolarHBondContact N-OD2 3.28Å; T155-D169 PolarHBondContact OG1-OD2 3.49Å |
| 156 | T | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.6 | 173.2 | -63.1 | 0 | 0 | 0 | 0 | 109.2 | I114 N116 G136 V137 L164 S165 F166 | I114-T156 HydrophobicContact CG2-CG2 3.89Å; N116-T156 VanDerWaalsContact CB-OG1 3.25Å; N116-T156 WeakPolarHBondContact CB-OG1 3.29Å; N116-T156 PolarHBondContact ND2-OG1 2.85Å; N116-T156 VanDerWaalsContact ND2-OG1 3.1Å; G136-T156 CarbonylContact C-O 3.59Å; G136-T156 WeakPolarHBondContact CA-O 3.13Å; V137-T156 PolarHBondContact N-O 2.89Å; V137-T156 PolarHBondContact O-N 3.4Å; T156-L164 HydrophobicContact CG2-CD1 3.8Å; T156-S165 CarbonylContact C-O 3.51Å; T156-S165 WeakPolarHBondContact CA-O 3.39Å; T156-F166 HydrophobicContact CG2-CD1 3.94Å; T156-F166 HydrophobicContact CG2-CE1 3.76Å |
| 157 | L | 97.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 139.9 | -177.7 | -62.6 | 171.6 | 0 | 0 | 0 | 111.1 | P61 V62 F67 L129 L134 L135 T155 L164 S165 | P61-L157 HydrophobicContact CB-CD1 4.07Å; P61-L157 HydrophobicContact CG-CD1 3.7Å; V62-L157 HydrophobicContact CB-CD1 4.42Å; V62-L157 HydrophobicContact CG2-CD1 3.55Å; V62-L157 HydrophobicContact CG2-CD2 3.98Å; V62-L157 HydrophobicContact CG2-CG 4.44Å; F67-L157 HydrophobicContact CZ-CD2 3.97Å; L129-L157 HydrophobicContact CD2-CD2 4.36Å; L134-L157 HydrophobicContact CD1-CB 4.38Å; L134-L157 HydrophobicContact CD1-CD2 4.37Å; L134-L157 HydrophobicContact CD2-CD2 4.39Å; L134-L157 HydrophobicContact CG-CD2 4.37Å; L135-L157 CarbonylContact O-C 3.59Å; T155-L157 HydrophobicContact CG2-CD1 4.47Å; T155-L157 HydrophobicContact CG2-CD2 4.11Å; T155-L157 HydrophobicContact CG2-CG 4Å; L157-L164 CarbonylContact O-C 3.44Å; L157-L164 WeakPolarHBondContact O-CA 3.35Å; L157-L164 WeakPolarHBondContact O-CD1 3.48Å; L157-S165 PolarHBondContact N-O 2.9Å; L157-S165 PolarHBondContact O-N 2.9Å |
| 158 | M | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.3 | 177.1 | -59.5 | 179.8 | -162.4 | 0 | 0 | 109.2 | F81 Y83 I93 F95 I114 L135 L164 | F81-M158 HydrophobicContact CZ-CB 4.41Å; F81-M158 WeakPolarHBondContact CZ-O 3.32Å; Y83-M158 HydrophobicContact CD1-SD 4.42Å; Y83-M158 HydrophobicContact CD2-CB 4.49Å; Y83-M158 HydrophobicContact CE1-CB 4.43Å; Y83-M158 HydrophobicContact CE1-CG 4.3Å; Y83-M158 HydrophobicContact CE1-SD 3.84Å; Y83-M158 HydrophobicContact CE2-CB 3.96Å; Y83-M158 HydrophobicContact CE2-CG 4.5Å; I93-M158 HydrophobicContact CD1-CE 3.78Å; I93-M158 HydrophobicContact CD1-SD 3.27Å; I93-M158 WeakPolarHBondContact CD1-SD 3.14Å; I93-M158 HydrophobicContact CG1-SD 4.5Å; I93-M158 HydrophobicContact CG2-CE 4.29Å; F95-M158 HydrophobicContact CE1-CE 3.88Å; F95-M158 HydrophobicContact CZ-CE 4.06Å; I114-M158 HydrophobicContact CD1-CE 3.42Å; I114-M158 VanDerWaalsContact CD1-CE 3.42Å; I114-M158 HydrophobicContact CD1-SD 4.39Å; L135-M158 HydrophobicContact CB-CB 4.4Å; L135-M158 HydrophobicContact CD2-SD 4.29Å; L135-M158 PolarHBondContact N-O 3.29Å; L135-M158 PolarHBondContact O-N 2.87Å; M158-L164 HydrophobicContact CE-CD1 4.4Å; M158-L164 HydrophobicContact CG-CD1 3.84Å |
| 159 | H | 95.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 23 Ų | 23 | 19% | 0.19 | 12% | 0.121 | C | C | . | . | trans | -109.1 | 151.9 | -172.4 | -63.8 | -91.8 | 0 | 0 | 0 | 111.8 | Y83 N161 G162 K163 | Y83-H159 WeakPolarHBondContact CD2-O 3.42Å; H159-N161 WeakPolarHBondContact CB-OD1 3.33Å; H159-N161 PolarHBondContact O-N 3.19Å; H159-N161 VanDerWaalsContact O-N 3.1Å; H159-G162 PolarHBondContact O-N 3.11Å; H159-K163 HydrophobicContact CB-CB 4.22Å; H159-K163 PolarHBondContact N-O 2.81Å | ||
| 160 | P | 92.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 21.1 Ų | 21.1 | 23% | 0.227 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -23.3 | 178.1 | -27 | 34.7 | 0 | 0 | 0 | 115.2 | F81 E133 G162 | F81-P160 HydrophobicContact CB-CB 4.14Å; F81-P160 HydrophobicContact CB-CG 4.18Å; F81-P160 HydrophobicContact CD1-CG 4.22Å; F81-P160 HydrophobicContact CD2-CB 4.12Å; F81-P160 HydrophobicContact CD2-CG 4.14Å; F81-P160 HydrophobicContact CG-CB 4.16Å; F81-P160 HydrophobicContact CG-CG 3.93Å; E133-P160 HydrophobicContact CB-CG 4.05Å; E133-P160 WeakPolarHBondContact O-CD 3.43Å; E133-P160 WeakPolarHBondContact O-CG 3.29Å; P160-G162 PolarHBondContact O-N 2.87Å |
| 161 | N | 88.1 | Confident | 96.3 | Very high | 59 Ų | 59 | 19.5 Ų | 19.5 | 32% | 0.316 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 4.4 | 175.8 | 67 | -1.5 | 0 | 0 | 0 | 113.5 | H159 K163 M351 | H159-N161 WeakPolarHBondContact CB-OD1 3.33Å; H159-N161 PolarHBondContact O-N 3.19Å; H159-N161 VanDerWaalsContact O-N 3.1Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 WeakPolarHBondContact OD1-CB 3.32Å; N161-K163 PolarHBondContact OD1-N 3.21Å; N161-M351 HydrophobicContact CB-CE 3.81Å; N161-M351 HydrophobicContact CB-CG 4.39Å; N161-M351 HydrophobicContact CB-SD 3.69Å; N161-M351 WeakPolarHBondContact ND2-CE 3.19Å; N161-M351 PolarHBondContact ND2-SD 3.33Å; N161-M351 VanDerWaalsContact ND2-SD 3.36Å |
| 162 | G | 89.9 | Confident | 96.3 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 13% | 0.134 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 86.8 | -4.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H159 P160 | H159-G162 PolarHBondContact O-N 3.11Å; P160-G162 PolarHBondContact O-N 2.87Å |
| 163 | K | 94.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 26.9 Ų | 26.9 | 17% | 0.174 | 14% | 0.136 | C | C | . | . | trans | -67.3 | 135.6 | 176.8 | -172.8 | 171.7 | 69 | 172.6 | 0 | 110.9 | H159 N161 E213 F214 E215 | H159-K163 HydrophobicContact CB-CB 4.22Å; H159-K163 PolarHBondContact N-O 2.81Å; N161-K163 VanDerWaalsContact C-N 3.32Å; N161-K163 WeakPolarHBondContact OD1-CB 3.32Å; N161-K163 PolarHBondContact OD1-N 3.21Å; K163-E213 HydrophobicContact CD-CB 4.18Å; K163-E213 HydrophobicContact CD-CG 4.3Å; K163-E213 WeakPolarHBondContact CD-OE1 3.42Å; K163-E213 WeakPolarHBondContact CE-OE1 3.48Å; K163-E213 HydrophobicContact CG-CB 4.45Å; K163-E213 IonicContact NZ-OE1 3.71Å; K163-E213 PolarHBondContact NZ-OE1 3.27Å; K163-F214 WeakPolarHBondContact CA-O 3.34Å; K163-E215 HydrophobicContact CB-CG 4.25Å; K163-E215 HydrophobicContact CD-CG 4.15Å; K163-E215 WeakPolarHBondContact CD-OE1 3.47Å; K163-E215 HydrophobicContact CG-CG 3.9Å | ||
| 164 | L | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130 | 170.1 | 173.1 | 65.3 | 0 | 0 | 0 | 108.5 | F85 I114 T156 L157 M158 F166 I184 E213 F214 | F85-L164 HydrophobicContact CE2-CD2 4.33Å; I114-L164 HydrophobicContact CD1-CD1 4.09Å; I114-L164 HydrophobicContact CD1-CD2 3.92Å; I114-L164 HydrophobicContact CG1-CD2 4Å; I114-L164 HydrophobicContact CG2-CD1 4.1Å; I114-L164 HydrophobicContact CG2-CD2 4.05Å; T156-L164 HydrophobicContact CG2-CD1 3.8Å; L157-L164 CarbonylContact O-C 3.44Å; L157-L164 WeakPolarHBondContact O-CA 3.35Å; L157-L164 WeakPolarHBondContact O-CD1 3.48Å; M158-L164 HydrophobicContact CE-CD1 4.4Å; M158-L164 HydrophobicContact CG-CD1 3.84Å; L164-F166 HydrophobicContact CD1-CE1 4.24Å; L164-F166 HydrophobicContact CD2-CE1 4.36Å; L164-F166 HydrophobicContact CG-CE1 4.26Å; L164-I184 HydrophobicContact CD2-CG2 3.45Å; L164-I184 VanDerWaalsContact CD2-CG2 3.45Å; L164-E213 WeakPolarHBondContact O-CA 3.41Å; L164-F214 HydrophobicContact CB-CB 4.27Å; L164-F214 HydrophobicContact CB-CD2 4.45Å; L164-F214 HydrophobicContact CD2-CD2 4.19Å; L164-F214 HydrophobicContact CG-CD2 4.18Å; L164-F214 PolarHBondContact N-O 3.13Å; L164-F214 PolarHBondContact O-N 2.93Å |
| 165 | S | 98.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134.8 | -177.9 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | T156 L157 V212 | T156-S165 CarbonylContact C-O 3.51Å; T156-S165 WeakPolarHBondContact CA-O 3.39Å; L157-S165 PolarHBondContact N-O 2.9Å; L157-S165 PolarHBondContact O-N 2.9Å; S165-V212 CarbonylContact C-O 3.51Å; S165-V212 WeakPolarHBondContact CA-O 3.48Å |
| 166 | F | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.8 | 163.5 | -56.8 | -25.6 | 0 | 0 | 0 | 109 | I114 N116 T155 T156 L164 Y168 I184 V201 L211 V212 F214 | I114-F166 HydrophobicContact CG2-CE1 3.56Å; I114-F166 HydrophobicContact CG2-CZ 3.78Å; N116-F166 HydrophobicContact CB-CD1 3.97Å; N116-F166 HydrophobicContact CB-CD2 4.42Å; N116-F166 HydrophobicContact CB-CE1 3.95Å; N116-F166 HydrophobicContact CB-CE2 4.38Å; N116-F166 HydrophobicContact CB-CG 4.22Å; N116-F166 HydrophobicContact CB-CZ 4.16Å; T155-F166 CarbonylContact O-C 3.6Å; T155-F166 WeakPolarHBondContact O-CA 3.21Å; T156-F166 HydrophobicContact CG2-CD1 3.94Å; T156-F166 HydrophobicContact CG2-CE1 3.76Å; L164-F166 HydrophobicContact CD1-CE1 4.24Å; L164-F166 HydrophobicContact CD2-CE1 4.36Å; L164-F166 HydrophobicContact CG-CE1 4.26Å; F166-Y168 HydrophobicContact CB-CE1 4.24Å; F166-I184 HydrophobicContact CE2-CG2 4.28Å; F166-I184 HydrophobicContact CZ-CG2 3.76Å; F166-V201 HydrophobicContact CD2-CG2 4.1Å; F166-V201 HydrophobicContact CE2-CG2 4.43Å; F166-L211 WeakPolarHBondContact O-CA 3.28Å; F166-V212 HydrophobicContact CB-CB 4.17Å; F166-V212 PolarHBondContact N-O 3.01Å; F166-V212 PolarHBondContact O-N 2.84Å; F166-F214 AromaticContact CD2-CE2 3.7Å; F166-F214 HydrophobicContact CD2-CE2 3.7Å; F166-F214 HydrophobicContact CD2-CZ 4.29Å; F166-F214 AromaticContact CE2-CE2 3.58Å; F166-F214 HydrophobicContact CE2-CE2 3.58Å; F166-F214 HydrophobicContact CE2-CZ 4.04Å; F166-F214 HydrophobicContact CG-CE2 4.29Å; F166-F214 HydrophobicContact CZ-CE2 4.06Å |
| 167 | Y | 98.5 | Very high | 95.5 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134 | 172.1 | -178.7 | -103.9 | 0 | 0 | 0 | 109.5 | Q58 Q60 P61 T155 D169 T210 L211 | Q58-Y167 HydrophobicContact CB-CE2 4.3Å; Q58-Y167 PolarHBondContact O-OH 3.1Å; Q60-Y167 VanDerWaalsContact CA-CZ 3.49Å; Q60-Y167 HydrophobicContact CB-CE1 3.77Å; Q60-Y167 HydrophobicContact CG-CD1 4.08Å; Q60-Y167 HydrophobicContact CG-CE1 3.69Å; Q60-Y167 PolarHBondContact N-OH 3.47Å; P61-Y167 VanDerWaalsContact CD-CG 3.45Å; P61-Y167 HydrophobicContact CG-CD2 4.38Å; P61-Y167 HydrophobicContact CG-CG 4.05Å; T155-Y167 PolarHBondContact N-O 2.84Å; T155-Y167 PolarHBondContact O-N 2.84Å; Y167-D169 HydrophobicContact CD1-CB 4.27Å; Y167-D169 VanDerWaalsContact CD1-CG 3.45Å; Y167-D169 WeakPolarHBondContact CD1-OD1 3.33Å; Y167-D169 HydrophobicContact CE1-CB 4.03Å; Y167-D169 WeakPolarHBondContact CE1-OD1 3.28Å; Y167-T210 WeakPolarHBondContact CA-O 3.24Å; Y167-T210 WeakPolarHBondContact CD2-O 3.39Å; Y167-L211 HydrophobicContact CD2-CB 4.3Å; Y167-L211 HydrophobicContact CD2-CD1 4.3Å |
| 168 | Y | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 88.8 | 179.6 | -55.3 | -43.2 | 0 | 0 | 0 | 109.1 | N116 M154 F166 N170 I171 S182 I206 K207 S208 G209 T210 V212 | N116-Y168 WeakPolarHBondContact OD1-CE1 3.43Å; M154-Y168 HydrophobicContact CE-CD1 3.54Å; M154-Y168 HydrophobicContact CE-CE1 3.4Å; M154-Y168 VanDerWaalsContact CE-CE1 3.4Å; M154-Y168 HydrophobicContact CG-CD1 4.36Å; F166-Y168 HydrophobicContact CB-CE1 4.24Å; Y168-N170 VanDerWaalsContact C-N 3.35Å; Y168-N170 PolarHBondContact O-N 2.7Å; Y168-I171 HydrophobicContact CG-CG1 4.28Å; Y168-S182 WeakPolarHBondContact CE1-OG 3.41Å; Y168-S182 WeakPolarHBondContact OH-CB 3.3Å; Y168-S182 PolarHBondContact OH-OG 2.87Å; Y168-I206 HydrophobicContact CD1-CG2 4.06Å; Y168-I206 HydrophobicContact CD2-CB 4.3Å; Y168-I206 HydrophobicContact CD2-CG2 3.86Å; Y168-I206 HydrophobicContact CE1-CG2 3.85Å; Y168-I206 HydrophobicContact CE2-CB 3.94Å; Y168-I206 HydrophobicContact CE2-CG1 3.94Å; Y168-I206 HydrophobicContact CE2-CG2 3.73Å; Y168-I206 HydrophobicContact CG-CG2 4.09Å; Y168-K207 WeakPolarHBondContact CB-O 3.22Å; Y168-S208 CarbonylContact O-C 3.58Å; Y168-S208 VanDerWaalsContact O-CA 3.3Å; Y168-S208 WeakPolarHBondContact O-CA 3.37Å; Y168-G209 PolarHBondContact O-N 2.87Å; Y168-T210 HydrophobicContact CD2-CG2 4.35Å; Y168-T210 HydrophobicContact CE2-CG2 4.45Å; Y168-T210 PolarHBondContact N-O 2.88Å; Y168-V212 HydrophobicContact CE2-CG2 3.95Å |
| 169 | D | 97.2 | Very high | 95 | Very high | 31 Ų | 31 | 42 Ų | 42 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | -44.4 | -178.1 | -55.9 | -102.8 | 0 | 0 | 0 | 111.7 | Q60 T153 T155 Y167 | Q60-D169 VanDerWaalsContact CD-OD1 3.23Å; Q60-D169 WeakPolarHBondContact CG-OD1 3.35Å; Q60-D169 PolarHBondContact NE2-OD1 2.78Å; T153-D169 HydrophobicContact CG2-CB 3.66Å; T153-D169 PolarHBondContact O-N 2.9Å; T153-D169 VanDerWaalsContact O-N 3.07Å; T155-D169 WeakPolarHBondContact CB-OD2 3.38Å; T155-D169 PolarHBondContact N-OD2 3.28Å; T155-D169 PolarHBondContact OG1-OD2 3.49Å; Y167-D169 HydrophobicContact CD1-CB 4.27Å; Y167-D169 VanDerWaalsContact CD1-CG 3.45Å; Y167-D169 WeakPolarHBondContact CD1-OD1 3.33Å; Y167-D169 HydrophobicContact CE1-CB 4.03Å; Y167-D169 WeakPolarHBondContact CE1-OD1 3.28Å |
| 170 | N | 96.8 | Very high | 95 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 119 | 176.5 | -174 | 42.4 | 0 | 0 | 0 | 111.5 | T151 A152 T153 Y168 | T151-N170 PolarHBondContact O-ND2 3.2Å; A152-N170 CarbonylContact C-O 3.58Å; A152-N170 WeakPolarHBondContact CA-O 3.18Å; T153-N170 PolarHBondContact N-O 3.05Å; T153-N170 PolarHBondContact O-N 2.98Å; T153-N170 VanDerWaalsContact O-N 3.11Å; Y168-N170 VanDerWaalsContact C-N 3.35Å; Y168-N170 PolarHBondContact O-N 2.7Å |
| 171 | I | 97.2 | Very high | 95 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | trans | -125 | 97.2 | 171.9 | -53.4 | -66.6 | 0 | 0 | 0 | 107.9 | I118 A152 M154 Y168 K173 L180 I206 S208 | I118-I171 HydrophobicContact CD1-CD1 4.46Å; A152-I171 HydrophobicContact CB-CD1 4.38Å; M154-I171 HydrophobicContact CE-CD1 4.19Å; M154-I171 HydrophobicContact CG-CD1 3.9Å; M154-I171 HydrophobicContact SD-CD1 4.29Å; Y168-I171 HydrophobicContact CG-CG1 4.28Å; I171-K173 PolarHBondContact O-N 2.89Å; I171-L180 HydrophobicContact CD1-CD2 4.5Å; I171-L180 HydrophobicContact CG2-CD1 4.02Å; I171-L180 HydrophobicContact CG2-CD2 4.15Å; I171-I206 HydrophobicContact CD1-CG2 4.41Å; I171-I206 HydrophobicContact CG1-CG2 4.41Å; I171-S208 PolarHBondContact N-OG 3.3Å; I171-S208 PolarHBondContact O-OG 3.16Å | ||
| 172 | P | 96.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 10% | 0.097 | 20% | 0.202 | C | C | . | . | trans | -52.9 | 134.9 | 173.2 | -28.7 | 34.2 | 0 | 0 | 0 | 112.3 | F150 T151 E174 I175 | F150-P172 HydrophobicContact CB-CB 4.03Å; F150-P172 HydrophobicContact CB-CG 3.95Å; F150-P172 HydrophobicContact CD1-CB 3.81Å; F150-P172 HydrophobicContact CD1-CG 4.31Å; F150-P172 HydrophobicContact CG-CB 4.17Å; T151-P172 WeakPolarHBondContact O-CG 3.15Å; P172-E174 PolarHBondContact O-N 3.05Å; P172-I175 HydrophobicContact CB-CD1 3.96Å; P172-I175 HydrophobicContact CB-CG1 4.2Å; P172-I175 HydrophobicContact CG-CD1 3.94Å; P172-I175 PolarHBondContact O-N 3.35Å | ||
| 173 | K | 95.2 | Very high | 95.8 | Very high | 203 Ų | 203 | 39.8 Ų | 39.8 | 88% | 0.883 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -18.7 | -175.6 | -66.2 | -178 | 179.5 | 179.8 | 0 | 113 | I171 I175 | I171-K173 PolarHBondContact O-N 2.89Å; K173-I175 VanDerWaalsContact C-N 3.28Å |
| 174 | E | 94.8 | Very high | 95.9 | Very high | 104 Ų | 104 | 37.9 Ų | 37.9 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18 | 178.9 | -62.1 | 80.6 | -177.5 | 0 | 0 | 112.5 | V145 F150 P172 D176 | V145-E174 HydrophobicContact CG1-CB 4.35Å; F150-E174 HydrophobicContact CD2-CB 4.36Å; F150-E174 HydrophobicContact CE1-CB 4.12Å; F150-E174 VanDerWaalsContact CE1-CD 3.46Å; F150-E174 HydrophobicContact CE1-CG 3.81Å; F150-E174 WeakPolarHBondContact CE1-OE2 3.25Å; F150-E174 HydrophobicContact CE2-CB 3.89Å; F150-E174 HydrophobicContact CE2-CG 4.13Å; F150-E174 HydrophobicContact CZ-CB 3.76Å; F150-E174 HydrophobicContact CZ-CG 3.5Å; F150-E174 VanDerWaalsContact CZ-CG 3.5Å; P172-E174 PolarHBondContact O-N 3.05Å; E174-D176 PolarHBondContact O-N 3.33Å |
| 175 | I | 93.5 | Very high | 95.6 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -73.6 | 124.2 | 175.9 | -63.2 | 167.1 | 0 | 0 | 0 | 108.6 | I118 I143 A152 P172 K173 G177 K179 L180 | I118-I175 HydrophobicContact CD1-CD1 4.42Å; I118-I175 HydrophobicContact CG2-CG2 4.44Å; I143-I175 HydrophobicContact CD1-CD1 3.59Å; I143-I175 HydrophobicContact CD1-CG1 4.08Å; I143-I175 HydrophobicContact CD1-CG2 4.35Å; A152-I175 HydrophobicContact CB-CD1 3.86Å; P172-I175 HydrophobicContact CB-CD1 3.96Å; P172-I175 HydrophobicContact CB-CG1 4.2Å; P172-I175 HydrophobicContact CG-CD1 3.94Å; P172-I175 PolarHBondContact O-N 3.35Å; K173-I175 VanDerWaalsContact C-N 3.28Å; I175-G177 PolarHBondContact O-N 2.91Å; I175-K179 HydrophobicContact CG2-CB 4.35Å; I175-K179 HydrophobicContact CG2-CD 4.38Å; I175-L180 HydrophobicContact CG2-CD2 4.1Å |
| 176 | D | 93.5 | Very high | 95.4 | Very high | 96 Ų | 96 | 38.7 Ų | 38.7 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | trans | -60.2 | 125.6 | 172.5 | 178.4 | 2.8 | 0 | 0 | 0 | 110.4 | E174 S178 K179 | E174-D176 PolarHBondContact O-N 3.33Å; D176-S178 PolarHBondContact O-N 3.15Å; D176-S178 VanDerWaalsContact O-N 3.11Å; D176-S178 PolarHBondContact OD1-N 3.32Å; D176-S178 PolarHBondContact OD1-OG 2.89Å; D176-S178 PolarHBondContact OD2-OG 3.28Å; D176-K179 HydrophobicContact CB-CG 4.43Å; D176-K179 VanDerWaalsContact O-CB 3.31Å; D176-K179 WeakPolarHBondContact O-CB 3.16Å; D176-K179 PolarHBondContact O-N 3.16Å | ||
| 177 | G | 93 | Very high | 95 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -56 | -26.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I175 K179 L180 V203 | I175-G177 PolarHBondContact O-N 2.91Å; G177-K179 PolarHBondContact O-N 3.19Å; G177-K179 VanDerWaalsContact O-N 3.13Å; G177-L180 WeakPolarHBondContact O-CB 3.47Å; G177-L180 PolarHBondContact O-N 2.94Å; G177-V203 VanDerWaalsContact CA-CG1 3.48Å; G177-V203 VanDerWaalsContact O-CG1 3.29Å; G177-V203 WeakPolarHBondContact O-CG1 3.21Å |
| 178 | S | 92.8 | Very high | 94.4 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 54% | 0.538 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -60.1 | -23 | 174.3 | 76.2 | 0 | 0 | 0 | 0 | 113.4 | D176 Q181 | D176-S178 PolarHBondContact O-N 3.15Å; D176-S178 VanDerWaalsContact O-N 3.11Å; D176-S178 PolarHBondContact OD1-N 3.32Å; D176-S178 PolarHBondContact OD1-OG 2.89Å; D176-S178 PolarHBondContact OD2-OG 3.28Å; S178-Q181 PolarHBondContact O-NE2 2.96Å |
| 179 | K | 93.7 | Very high | 93.6 | Very high | 37 Ų | 37 | 47 Ų | 47 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -81 | -21.4 | 176.7 | -60.3 | -175.4 | 176 | -168.5 | 0 | 113 | I118 N119 N120 I175 D176 G177 Q181 | I118-K179 CarbonylContact C-O 3.55Å; I118-K179 WeakPolarHBondContact CA-O 3.47Å; I118-K179 HydrophobicContact CG2-CB 3.76Å; N119-K179 PolarHBondContact N-O 2.86Å; N120-K179 HydrophobicContact CB-CD 4.41Å; I175-K179 HydrophobicContact CG2-CB 4.35Å; I175-K179 HydrophobicContact CG2-CD 4.38Å; D176-K179 HydrophobicContact CB-CG 4.43Å; D176-K179 VanDerWaalsContact O-CB 3.31Å; D176-K179 WeakPolarHBondContact O-CB 3.16Å; D176-K179 PolarHBondContact O-N 3.16Å; G177-K179 PolarHBondContact O-N 3.19Å; G177-K179 VanDerWaalsContact O-N 3.13Å; K179-Q181 PolarHBondContact O-N 2.8Å |
| 180 | L | 95.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 121.3 | -175.7 | -56.5 | 175.5 | 0 | 0 | 0 | 109.5 | I118 I171 I175 G177 I206 | I118-L180 HydrophobicContact CD1-CD2 3.64Å; I118-L180 HydrophobicContact CG1-CD2 3.81Å; I118-L180 HydrophobicContact CG2-CD2 4.33Å; I171-L180 HydrophobicContact CD1-CD2 4.5Å; I171-L180 HydrophobicContact CG2-CD1 4.02Å; I171-L180 HydrophobicContact CG2-CD2 4.15Å; I175-L180 HydrophobicContact CG2-CD2 4.1Å; G177-L180 WeakPolarHBondContact O-CB 3.47Å; G177-L180 PolarHBondContact O-N 2.94Å; L180-I206 HydrophobicContact CB-CB 4.46Å; L180-I206 HydrophobicContact CB-CD1 3.92Å; L180-I206 HydrophobicContact CB-CG2 4.14Å; L180-I206 HydrophobicContact CD1-CB 3.87Å; L180-I206 HydrophobicContact CD1-CG2 3.74Å; L180-I206 HydrophobicContact CD2-CG2 4.4Å; L180-I206 HydrophobicContact CG-CG2 4.31Å |
| 181 | Q | 93.2 | Very high | 91.9 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 93.7 | -177.8 | -61.5 | -62.8 | -45.8 | 0 | 0 | 109.4 | Y117 N119 S178 K179 | Y117-Q181 HydrophobicContact CD1-CB 3.94Å; Y117-Q181 HydrophobicContact CD2-CB 4.01Å; Y117-Q181 HydrophobicContact CD2-CG 4.42Å; Y117-Q181 HydrophobicContact CE1-CB 3.56Å; Y117-Q181 HydrophobicContact CE1-CG 4.39Å; Y117-Q181 HydrophobicContact CE2-CB 3.62Å; Y117-Q181 HydrophobicContact CE2-CG 3.72Å; Y117-Q181 HydrophobicContact CG-CB 4.15Å; Y117-Q181 PolarHBondContact N-O 3.48Å; Y117-Q181 CarbonylContact O-C 3.44Å; Y117-Q181 WeakPolarHBondContact O-CA 3.09Å; Y117-Q181 PolarHBondContact O-N 2.94Å; Y117-Q181 VanDerWaalsContact O-O 3.09Å; N119-Q181 WeakPolarHBondContact ND2-CG 3.42Å; S178-Q181 PolarHBondContact O-NE2 2.96Å; K179-Q181 PolarHBondContact O-N 2.8Å |
| 182 | S | 97.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.3 | 170.5 | -63.8 | 0 | 0 | 0 | 0 | 109.7 | D115 N116 Y168 V201 | D115-S182 CarbonylContact O-C 3.55Å; D115-S182 WeakPolarHBondContact O-CA 3.5Å; N116-S182 PolarHBondContact OD1-OG 2.84Å; Y168-S182 WeakPolarHBondContact CE1-OG 3.41Å; Y168-S182 WeakPolarHBondContact OH-CB 3.3Å; Y168-S182 PolarHBondContact OH-OG 2.87Å; S182-V201 PolarHBondContact O-N 3.14Å |
| 183 | K | 96.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 161.5 | 179.9 | 62.9 | 174.3 | -172.1 | 172.5 | 0 | 112.1 | D115 E198 I199 R200 | D115-K183 HydrophobicContact CB-CG 3.56Å; D115-K183 PolarHBondContact N-O 3.07Å; D115-K183 PolarHBondContact O-N 3.43Å; D115-K183 VanDerWaalsContact O-O 3.06Å; D115-K183 WeakPolarHBondContact OD2-CE 3.38Å; K183-E198 HydrophobicContact CB-CG 4.34Å; K183-E198 HydrophobicContact CD-CG 3.83Å; K183-E198 WeakPolarHBondContact CD-OE1 3.32Å; K183-E198 IonicContact NZ-OE1 2.89Å; K183-E198 PolarHBondContact NZ-OE1 2.99Å; K183-E198 IonicContact NZ-OE2 2.89Å; K183-E198 PolarHBondContact NZ-OE2 3.45Å; K183-I199 CarbonylContact C-O 3.51Å; K183-I199 WeakPolarHBondContact CA-O 3.47Å; K183-I199 VanDerWaalsContact CB-O 3.29Å; K183-I199 WeakPolarHBondContact CB-O 3.27Å; K183-R200 HydrophobicContact CB-CG 4.12Å |
| 184 | I | 96.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.7 | 165.9 | 63 | 166.7 | 0 | 0 | 0 | 109 | Y50 F85 Y86 L164 F166 E198 I199 F214 | Y50-I184 HydrophobicContact CD1-CD1 4.2Å; Y50-I184 HydrophobicContact CD2-CD1 4.46Å; Y50-I184 HydrophobicContact CE1-CD1 4.31Å; Y50-I184 HydrophobicContact CG-CD1 4.27Å; F85-I184 HydrophobicContact CE2-CB 4.44Å; F85-I184 HydrophobicContact CZ-CB 4.35Å; Y86-I184 HydrophobicContact CE2-CD1 4.3Å; L164-I184 HydrophobicContact CD2-CG2 3.45Å; L164-I184 VanDerWaalsContact CD2-CG2 3.45Å; F166-I184 HydrophobicContact CE2-CG2 4.28Å; F166-I184 HydrophobicContact CZ-CG2 3.76Å; I184-E198 CarbonylContact O-C 3.6Å; I184-E198 WeakPolarHBondContact O-CA 3.32Å; I184-I199 HydrophobicContact CD1-CB 4.48Å; I184-I199 HydrophobicContact CD1-CD1 3.92Å; I184-I199 HydrophobicContact CG1-CB 3.78Å; I184-I199 HydrophobicContact CG1-CD1 4.1Å; I184-I199 HydrophobicContact CG1-CG1 4.27Å; I184-I199 PolarHBondContact N-O 3.45Å; I184-I199 PolarHBondContact O-N 3.2Å; I184-F214 HydrophobicContact CD1-CB 4.1Å; I184-F214 HydrophobicContact CD1-CD1 3.67Å; I184-F214 HydrophobicContact CD1-CE1 4.2Å; I184-F214 HydrophobicContact CD1-CG 3.85Å; I184-F214 HydrophobicContact CG1-CD1 4.12Å; I184-F214 HydrophobicContact CG1-CE1 4.13Å; I184-F214 HydrophobicContact CG2-CD2 4.29Å; I184-F214 HydrophobicContact CG2-CE2 4.14Å; I184-F214 HydrophobicContact CG2-CZ 4.35Å |
| 185 | F | 93.3 | Very high | 89 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130.3 | -173.8 | 164.6 | -90.9 | 0 | 0 | 0 | 109 | F85 G112 N113 I187 E196 H197 E198 | F85-F185 VanDerWaalsContact CE1-O 3.27Å; F85-F185 WeakPolarHBondContact CE1-O 3.04Å; F85-F185 WeakPolarHBondContact CZ-O 3.48Å; G112-F185 CarbonylContact C-O 3.46Å; G112-F185 WeakPolarHBondContact CA-O 3.17Å; N113-F185 HydrophobicContact CB-CB 4.26Å; N113-F185 HydrophobicContact CB-CD1 4.15Å; N113-F185 PolarHBondContact N-O 3.1Å; N113-F185 PolarHBondContact O-N 3.25Å; N113-F185 WeakPolarHBondContact OD1-CD1 3.21Å; F185-I187 HydrophobicContact CD1-CG1 4.49Å; F185-I187 HydrophobicContact CE1-CD1 4.07Å; F185-I187 HydrophobicContact CE1-CG1 3.53Å; F185-I187 HydrophobicContact CZ-CG1 3.95Å; F185-E196 HydrophobicContact CD2-CB 4.39Å; F185-E196 HydrophobicContact CE2-CB 3.44Å; F185-E196 VanDerWaalsContact CE2-CB 3.44Å; F185-E196 HydrophobicContact CE2-CG 3.47Å; F185-E196 VanDerWaalsContact CE2-CG 3.47Å; F185-E196 WeakPolarHBondContact CE2-OE2 3.34Å; F185-E196 HydrophobicContact CZ-CB 3.91Å; F185-E196 HydrophobicContact CZ-CG 3.39Å; F185-H197 CarbonylContact C-O 3.5Å; F185-H197 WeakPolarHBondContact CA-O 3.38Å; F185-E198 HydrophobicContact CD2-CB 4.48Å |
| 186 | G | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y86 H197 | Y86-G186 VanDerWaalsContact CD2-CA 3.41Å; G186-H197 PolarHBondContact N-O 3Å; G186-H197 PolarHBondContact O-N 3.14Å |
| 187 | I | 91.2 | Very high | 88.4 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.7 | 171.8 | -60.7 | 172.4 | 0 | 0 | 0 | 108.3 | H110 I111 F185 T194 | H110-I187 VanDerWaalsContact ND1-CD1 3.33Å; H110-I187 WeakPolarHBondContact ND1-CD1 3.15Å; H110-I187 WeakPolarHBondContact O-CD1 3.42Å; I111-I187 PolarHBondContact O-N 3.02Å; F185-I187 HydrophobicContact CD1-CG1 4.49Å; F185-I187 HydrophobicContact CE1-CD1 4.07Å; F185-I187 HydrophobicContact CE1-CG1 3.53Å; F185-I187 HydrophobicContact CZ-CG1 3.95Å; I187-T194 HydrophobicContact CG2-CG2 4.31Å |
| 188 | I | 84.9 | Confident | 88.3 | Confident | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.046 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.8 | -179.3 | -68.3 | 166.2 | 0 | 0 | 0 | 108.3 | N21 Y23 Y48 C190 T194 A195 H197 | N21-I188 HydrophobicContact CB-CG2 4.14Å; N21-I188 WeakPolarHBondContact ND2-CG2 3.29Å; Y23-I188 HydrophobicContact CD1-CB 4.45Å; Y23-I188 HydrophobicContact CD1-CD1 3.38Å; Y23-I188 HydrophobicContact CD1-CG2 4.36Å; Y23-I188 HydrophobicContact CD2-CD1 4.23Å; Y23-I188 HydrophobicContact CE1-CD1 3.77Å; Y23-I188 HydrophobicContact CG-CD1 3.62Å; Y48-I188 HydrophobicContact CD1-CD1 3.93Å; Y48-I188 HydrophobicContact CE1-CD1 3.54Å; I188-C190 PolarHBondContact O-N 2.84Å; I188-T194 WeakPolarHBondContact O-CA 3.42Å; I188-A195 HydrophobicContact CB-CB 4.16Å; I188-A195 HydrophobicContact CG2-CB 4.36Å; I188-A195 PolarHBondContact N-O 3.3Å; I188-A195 PolarHBondContact O-N 3.01Å; I188-H197 HydrophobicContact CD1-CB 3.76Å |
| 189 | L | 82.1 | Confident | 88.4 | Confident | 141 Ų | 141 | 50.3 Ų | 50.3 | 74% | 0.738 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 115.5 | 174.6 | -63.3 | 176.3 | 0 | 0 | 0 | 109.9 | T194 | L189-T194 HydrophobicContact CD2-CG2 4.09Å |
| 190 | C | 80.4 | Confident | 88.5 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 19% | 0.189 | 28% | 0.275 | C | S | . | . | trans | -100.1 | 168.1 | 169.9 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | C24 I188 D192 D193 A195 | C24-C190 HydrophobicContact CB-CB 3.62Å; C24-C190 WeakPolarHBondContact CB-SG 3.3Å; C24-C190 WeakPolarHBondContact SG-CA 3.3Å; C24-C190 WeakPolarHBondContact SG-CB 3.31Å; C24-C190 CovalentContact SG-SG 2.02Å; C24-C190 PolarHBondContact SG-SG 2.88Å; I188-C190 PolarHBondContact O-N 2.84Å; C190-D192 VanDerWaalsContact C-N 3.3Å; C190-D192 PolarHBondContact O-N 2.89Å; C190-D193 CarbonylContact C-O 3.38Å; C190-D193 VanDerWaalsContact CA-O 3.26Å; C190-D193 WeakPolarHBondContact CA-O 3.48Å; C190-D193 WeakPolarHBondContact CB-O 3.23Å; C190-D193 PolarHBondContact N-O 3.2Å; C190-D193 VanDerWaalsContact O-O 3.07Å; C190-A195 VanDerWaalsContact SG-CB 3.57Å | ||
| 191 | K | 77.3 | Confident | 88.6 | Confident | 171 Ų | 171 | 56.1 Ų | 56.1 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -56.2 | -42.9 | -174.4 | -175 | -173 | 169.8 | -155 | 0 | 113.6 | ||
| 192 | D | 76.4 | Confident | 88.7 | Confident | 143 Ų | 143 | 55.1 Ų | 55.1 | 77% | 0.765 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -127 | 5.4 | -173.4 | -60.4 | -53.6 | 0 | 0 | 0 | 112.2 | C190 | C190-D192 VanDerWaalsContact C-N 3.3Å; C190-D192 PolarHBondContact O-N 2.89Å |
| 193 | D | 80.4 | Confident | 88.6 | Confident | 119 Ų | 119 | 57.9 Ų | 57.9 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -156 | 176.3 | -176.4 | -152.4 | -10.6 | 0 | 0 | 0 | 111.2 | C190 | C190-D193 CarbonylContact C-O 3.38Å; C190-D193 VanDerWaalsContact CA-O 3.26Å; C190-D193 WeakPolarHBondContact CA-O 3.48Å; C190-D193 WeakPolarHBondContact CB-O 3.23Å; C190-D193 PolarHBondContact N-O 3.2Å; C190-D193 VanDerWaalsContact O-O 3.07Å |
| 194 | T | 82.2 | Confident | 88.5 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.7 | 166.2 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | I187 I188 L189 | I187-T194 HydrophobicContact CG2-CG2 4.31Å; I188-T194 WeakPolarHBondContact O-CA 3.42Å; L189-T194 HydrophobicContact CD2-CG2 4.09Å |
| 195 | A | 83.4 | Confident | 88.6 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 150.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y23 Y30 I188 C190 | Y23-A195 HydrophobicContact CD1-CB 3.62Å; Y23-A195 HydrophobicContact CE1-CB 3.68Å; Y30-A195 VanDerWaalsContact OH-CB 3.28Å; Y30-A195 WeakPolarHBondContact OH-CB 3.45Å; I188-A195 HydrophobicContact CB-CB 4.16Å; I188-A195 HydrophobicContact CG2-CB 4.36Å; I188-A195 PolarHBondContact N-O 3.3Å; I188-A195 PolarHBondContact O-N 3.01Å; C190-A195 VanDerWaalsContact SG-CB 3.57Å |
| 196 | E | 86.8 | Confident | 88.8 | Confident | 113 Ų | 113 | 63.4 Ų | 63.4 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.1 | -176.7 | -74.5 | -172.9 | 178 | 0 | 0 | 108.8 | Y23 F185 | Y23-E196 PolarHBondContact OH-O 2.86Å; F185-E196 HydrophobicContact CD2-CB 4.39Å; F185-E196 HydrophobicContact CE2-CB 3.44Å; F185-E196 VanDerWaalsContact CE2-CB 3.44Å; F185-E196 HydrophobicContact CE2-CG 3.47Å; F185-E196 VanDerWaalsContact CE2-CG 3.47Å; F185-E196 WeakPolarHBondContact CE2-OE2 3.34Å; F185-E196 HydrophobicContact CZ-CB 3.91Å; F185-E196 HydrophobicContact CZ-CG 3.39Å |
| 197 | H | 87.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.009 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.2 | 176.3 | 179.6 | -92.8 | 0 | 0 | 0 | 110.5 | Y23 Y48 Y86 F185 G186 I188 I199 | Y23-H197 HydrophobicContact CE1-CB 4.2Å; Y23-H197 HydrophobicContact CE2-CB 4.14Å; Y23-H197 AromaticContact CE2-CD2 3.5Å; Y23-H197 AromaticContact CZ-CD2 3.78Å; Y48-H197 VanDerWaalsContact CB-NE2 3.28Å; Y48-H197 WeakPolarHBondContact CB-NE2 3.32Å; Y86-H197 HydrophobicContact CE1-CB 4.18Å; Y86-H197 AromaticContact CE1-ND1 3.58Å; Y86-H197 AromaticContact CZ-ND1 3.67Å; Y86-H197 PolarHBondContact OH-ND1 3.23Å; F185-H197 CarbonylContact C-O 3.5Å; F185-H197 WeakPolarHBondContact CA-O 3.38Å; G186-H197 PolarHBondContact N-O 3Å; G186-H197 PolarHBondContact O-N 3.14Å; I188-H197 HydrophobicContact CD1-CB 3.76Å; H197-I199 WeakPolarHBondContact CE1-CG1 3.39Å |
| 198 | E | 91.8 | Very high | 89.2 | Confident | 54 Ų | 54 | 68.1 Ų | 68.1 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.5 | -176.5 | -170.3 | 179.6 | 130.7 | 0 | 0 | 111.1 | K183 I184 F185 R200 | K183-E198 HydrophobicContact CB-CG 4.34Å; K183-E198 HydrophobicContact CD-CG 3.83Å; K183-E198 WeakPolarHBondContact CD-OE1 3.32Å; K183-E198 IonicContact NZ-OE1 2.89Å; K183-E198 PolarHBondContact NZ-OE1 2.99Å; K183-E198 IonicContact NZ-OE2 2.89Å; K183-E198 PolarHBondContact NZ-OE2 3.45Å; I184-E198 CarbonylContact O-C 3.6Å; I184-E198 WeakPolarHBondContact O-CA 3.32Å; F185-E198 HydrophobicContact CD2-CB 4.48Å; E198-R200 HydrophobicContact CG-CG 4.31Å; E198-R200 WeakPolarHBondContact OE1-CD 3.42Å; E198-R200 WeakPolarHBondContact OE1-CG 3.25Å; E198-R200 IonicContact OE1-CZ 3.54Å; E198-R200 IonicContact OE1-NE 3.82Å; E198-R200 PolarHBondContact OE1-NE 3.28Å; E198-R200 IonicContact OE1-NH2 2.72Å; E198-R200 PolarHBondContact OE1-NH2 3.36Å; E198-R200 IonicContact OE2-NH2 2.59Å |
| 199 | I | 94 | Very high | 89.8 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 115.1 | 171.7 | -56.3 | 169.8 | 0 | 0 | 0 | 107.8 | H47 Y50 M52 Y86 K183 I184 H197 F214 | H47-I199 HydrophobicContact CB-CD1 3.47Å; H47-I199 VanDerWaalsContact CB-CD1 3.47Å; H47-I199 HydrophobicContact CB-CG1 3.75Å; H47-I199 HydrophobicContact CB-CG2 4.49Å; Y50-I199 HydrophobicContact CD2-CD1 4.2Å; Y50-I199 HydrophobicContact CG-CD1 4.07Å; M52-I199 HydrophobicContact SD-CG2 4.28Å; Y86-I199 WeakPolarHBondContact OH-CD1 3.28Å; K183-I199 CarbonylContact C-O 3.51Å; K183-I199 WeakPolarHBondContact CA-O 3.47Å; K183-I199 VanDerWaalsContact CB-O 3.29Å; K183-I199 WeakPolarHBondContact CB-O 3.27Å; I184-I199 HydrophobicContact CD1-CB 4.48Å; I184-I199 HydrophobicContact CD1-CD1 3.92Å; I184-I199 HydrophobicContact CG1-CB 3.78Å; I184-I199 HydrophobicContact CG1-CD1 4.1Å; I184-I199 HydrophobicContact CG1-CG1 4.27Å; I184-I199 PolarHBondContact N-O 3.45Å; I184-I199 PolarHBondContact O-N 3.2Å; H197-I199 WeakPolarHBondContact CE1-CG1 3.39Å; I199-F214 HydrophobicContact CB-CE1 4.35Å; I199-F214 HydrophobicContact CG2-CD1 4.29Å; I199-F214 HydrophobicContact CG2-CE1 3.68Å |
| 200 | R | 95.5 | Very high | 90.6 | Very high | 161 Ų | 161 | 61.6 Ų | 61.6 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 138.4 | 176.7 | -66.9 | -178.1 | 175.4 | 131.7 | 21.1 | 110.7 | K183 E198 | K183-R200 HydrophobicContact CB-CG 4.12Å; E198-R200 HydrophobicContact CG-CG 4.31Å; E198-R200 WeakPolarHBondContact OE1-CD 3.42Å; E198-R200 WeakPolarHBondContact OE1-CG 3.25Å; E198-R200 IonicContact OE1-CZ 3.54Å; E198-R200 IonicContact OE1-NE 3.82Å; E198-R200 PolarHBondContact OE1-NE 3.28Å; E198-R200 IonicContact OE1-NH2 2.72Å; E198-R200 PolarHBondContact OE1-NH2 3.36Å; E198-R200 IonicContact OE2-NH2 2.59Å |
| 201 | V | 97.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 126 | 163.1 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | M52 I54 F166 S182 V203 W205 I206 V212 F214 | M52-V201 HydrophobicContact SD-CG2 4.31Å; I54-V201 HydrophobicContact CD1-CG1 4.1Å; F166-V201 HydrophobicContact CD2-CG2 4.1Å; F166-V201 HydrophobicContact CE2-CG2 4.43Å; S182-V201 PolarHBondContact O-N 3.14Å; V201-V203 PolarHBondContact O-N 2.87Å; V201-W205 HydrophobicContact CG1-CB 4.42Å; V201-I206 HydrophobicContact CB-CD1 4.3Å; V201-I206 HydrophobicContact CB-CG1 4.3Å; V201-I206 HydrophobicContact CG1-CD1 4.38Å; V201-I206 HydrophobicContact CG1-CG1 3.84Å; V201-V212 HydrophobicContact CG1-CG2 3.81Å; V201-V212 HydrophobicContact CG2-CB 4.49Å; V201-V212 HydrophobicContact CG2-CG1 3.91Å; V201-V212 HydrophobicContact CG2-CG2 4.1Å; V201-F214 HydrophobicContact CG2-CZ 3.87Å |
| 202 | P | 95.8 | Very high | 92.5 | Very high | 31 Ų | 31 | 53 Ų | 53 | 20% | 0.201 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 131.7 | 177.1 | -20.1 | 30.8 | 0 | 0 | 0 | 110.2 | D204 W205 | P202-D204 PolarHBondContact O-N 3.01Å; P202-D204 VanDerWaalsContact O-N 3.15Å; P202-W205 WeakPolarHBondContact O-CB 3.44Å; P202-W205 PolarHBondContact O-N 2.89Å |
| 203 | V | 95.6 | Very high | 93.5 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 38% | 0.382 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -57.3 | -35.7 | -170.8 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | G177 V201 W205 I206 | G177-V203 VanDerWaalsContact CA-CG1 3.48Å; G177-V203 VanDerWaalsContact O-CG1 3.29Å; G177-V203 WeakPolarHBondContact O-CG1 3.21Å; V201-V203 PolarHBondContact O-N 2.87Å; V203-W205 PolarHBondContact O-N 2.86Å; V203-W205 VanDerWaalsContact O-N 3.11Å; V203-I206 PolarHBondContact O-N 3.24Å |
| 204 | D | 94.6 | Very high | 94.3 | Very high | 149 Ų | 149 | 41.2 Ų | 41.2 | 80% | 0.797 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -62.8 | -18.7 | 178.3 | -64.3 | -27.9 | 0 | 0 | 0 | 113.5 | P202 | P202-D204 PolarHBondContact O-N 3.01Å; P202-D204 VanDerWaalsContact O-N 3.15Å |
| 205 | W | 96.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -91.6 | -11.5 | 176.8 | -69.1 | 74.4 | 0 | 0 | 0 | 112.8 | E38 N39 Y42 R43 I54 H56 V201 P202 V203 K207 T210 | E38-W205 HydrophobicContact CG-CZ2 3.96Å; E38-W205 PolarHBondContact OE1-NE1 3.32Å; N39-W205 WeakPolarHBondContact O-CH2 2.98Å; N39-W205 WeakPolarHBondContact O-CZ2 3.19Å; Y42-W205 WeakPolarHBondContact O-CH2 3.15Å; R43-W205 HydrophobicContact CB-CD2 4.28Å; R43-W205 HydrophobicContact CB-CE3 4.29Å; R43-W205 HydrophobicContact CB-CH2 3.5Å; R43-W205 HydrophobicContact CB-CZ2 3.48Å; R43-W205 VanDerWaalsContact CB-CZ2 3.48Å; R43-W205 HydrophobicContact CB-CZ3 3.91Å; R43-W205 HydrophobicContact CG-CZ2 4.37Å; I54-W205 HydrophobicContact CB-CD2 4.29Å; I54-W205 HydrophobicContact CB-CE3 3.65Å; I54-W205 HydrophobicContact CB-CZ3 4.1Å; I54-W205 HydrophobicContact CD1-CB 3.99Å; I54-W205 HydrophobicContact CD1-CD2 4.07Å; I54-W205 HydrophobicContact CD1-CE3 4.31Å; I54-W205 HydrophobicContact CD1-CG 3.94Å; I54-W205 HydrophobicContact CG2-CB 4.17Å; I54-W205 HydrophobicContact CG2-CD2 4.06Å; I54-W205 HydrophobicContact CG2-CE3 3.31Å; I54-W205 HydrophobicContact CG2-CG 4.44Å; I54-W205 HydrophobicContact CG2-CZ3 4.07Å; H56-W205 AromaticContact CD2-CE3 3.82Å; H56-W205 AromaticContact CD2-CZ3 3.61Å; H56-W205 AromaticContact CE1-CE3 3.31Å; H56-W205 AromaticContact CE1-CZ3 3.9Å; H56-W205 PolarHBondContact CE1-O 3.18Å; H56-W205 AromaticContact NE2-CD2 3.75Å; H56-W205 AromaticContact NE2-CE3 3.11Å; H56-W205 AromaticContact NE2-CZ3 3.38Å; H56-W205 WeakPolarHBondContact NE2-CZ3 3.16Å; V201-W205 HydrophobicContact CG1-CB 4.42Å; P202-W205 WeakPolarHBondContact O-CB 3.44Å; P202-W205 PolarHBondContact O-N 2.89Å; V203-W205 PolarHBondContact O-N 2.86Å; V203-W205 VanDerWaalsContact O-N 3.11Å; W205-K207 PolarHBondContact O-N 3.41Å; W205-T210 WeakPolarHBondContact O-CG2 3.32Å; W205-T210 PolarHBondContact O-OG1 2.97Å |
| 206 | I | 97.4 | Very high | 95 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | trans | -83.6 | 79.6 | 179.9 | -50.5 | 178.9 | 0 | 0 | 0 | 110 | M154 Y168 I171 L180 V201 V203 | M154-I206 HydrophobicContact CE-CG2 4.13Å; Y168-I206 HydrophobicContact CD1-CG2 4.06Å; Y168-I206 HydrophobicContact CD2-CB 4.3Å; Y168-I206 HydrophobicContact CD2-CG2 3.86Å; Y168-I206 HydrophobicContact CE1-CG2 3.85Å; Y168-I206 HydrophobicContact CE2-CB 3.94Å; Y168-I206 HydrophobicContact CE2-CG1 3.94Å; Y168-I206 HydrophobicContact CE2-CG2 3.73Å; Y168-I206 HydrophobicContact CG-CG2 4.09Å; I171-I206 HydrophobicContact CD1-CG2 4.41Å; I171-I206 HydrophobicContact CG1-CG2 4.41Å; L180-I206 HydrophobicContact CB-CB 4.46Å; L180-I206 HydrophobicContact CB-CD1 3.92Å; L180-I206 HydrophobicContact CB-CG2 4.14Å; L180-I206 HydrophobicContact CD1-CB 3.87Å; L180-I206 HydrophobicContact CD1-CG2 3.74Å; L180-I206 HydrophobicContact CD2-CG2 4.4Å; L180-I206 HydrophobicContact CG-CG2 4.31Å; V201-I206 HydrophobicContact CB-CD1 4.3Å; V201-I206 HydrophobicContact CB-CG1 4.3Å; V201-I206 HydrophobicContact CG1-CD1 4.38Å; V201-I206 HydrophobicContact CG1-CG1 3.84Å; V203-I206 PolarHBondContact O-N 3.24Å | ||
| 207 | K | 96.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 39.1 Ų | 39.1 | 39% | 0.391 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -136.1 | 159.8 | 175.8 | 64.4 | -176.6 | 170.4 | -159.4 | 0 | 112.1 | H56 Y168 W205 G209 T210 | H56-K207 WeakPolarHBondContact CD2-CE 3.45Å; H56-K207 PolarHBondContact CD2-NZ 3.07Å; H56-K207 WeakPolarHBondContact CE1-CE 3.49Å; H56-K207 WeakPolarHBondContact ND1-CE 3.4Å; H56-K207 WeakPolarHBondContact NE2-CE 3.45Å; H56-K207 PolarHBondContact NE2-NZ 3Å; Y168-K207 WeakPolarHBondContact CB-O 3.22Å; W205-K207 PolarHBondContact O-N 3.41Å; K207-G209 PolarHBondContact O-N 2.86Å; K207-T210 WeakPolarHBondContact CG-OG1 3.3Å; K207-T210 VanDerWaalsContact O-CB 3.31Å; K207-T210 WeakPolarHBondContact O-CB 3.47Å; K207-T210 PolarHBondContact O-N 2.83Å; K207-T210 PolarHBondContact O-OG1 2.94Å |
| 208 | S | 97.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 41.1 Ų | 41.1 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 137.2 | 178.9 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | Y168 I171 | Y168-S208 CarbonylContact O-C 3.58Å; Y168-S208 VanDerWaalsContact O-CA 3.3Å; Y168-S208 WeakPolarHBondContact O-CA 3.37Å; I171-S208 PolarHBondContact N-OG 3.3Å; I171-S208 PolarHBondContact O-OG 3.16Å |
| 209 | G | 97.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 21.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | H56 N57 Q58 Y168 K207 | H56-G209 CarbonylContact C-O 3.51Å; N57-G209 PolarHBondContact N-O 2.89Å; Q58-G209 PolarHBondContact N-O 3.34Å; Y168-G209 PolarHBondContact O-N 2.87Å; K207-G209 PolarHBondContact O-N 2.86Å |
| 210 | T | 98.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.8 | 174.4 | -47.8 | 0 | 0 | 0 | 0 | 110.6 | I54 Q55 H56 Y167 Y168 W205 K207 | I54-T210 HydrophobicContact CG2-CG2 3.34Å; Q55-T210 CarbonylContact O-C 3.53Å; Q55-T210 WeakPolarHBondContact O-CA 3.24Å; Q55-T210 WeakPolarHBondContact O-CG2 3.49Å; H56-T210 PolarHBondContact CE1-OG1 3.45Å; H56-T210 VanDerWaalsContact ND1-CG2 3.33Å; H56-T210 WeakPolarHBondContact ND1-CG2 3.24Å; H56-T210 PolarHBondContact ND1-OG1 2.89Å; Y167-T210 WeakPolarHBondContact CA-O 3.24Å; Y167-T210 WeakPolarHBondContact CD2-O 3.39Å; Y168-T210 HydrophobicContact CD2-CG2 4.35Å; Y168-T210 HydrophobicContact CE2-CG2 4.45Å; Y168-T210 PolarHBondContact N-O 2.88Å; W205-T210 WeakPolarHBondContact O-CG2 3.32Å; W205-T210 PolarHBondContact O-OG1 2.97Å; K207-T210 WeakPolarHBondContact CG-OG1 3.3Å; K207-T210 VanDerWaalsContact O-CB 3.31Å; K207-T210 WeakPolarHBondContact O-CB 3.47Å; K207-T210 PolarHBondContact O-N 2.83Å; K207-T210 PolarHBondContact O-OG1 2.94Å |
| 211 | L | 98.4 | Very high | 88.9 | Confident | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.8 | 170.3 | -176.9 | 65.8 | 0 | 0 | 0 | 109.1 | I54 Q55 Q58 P61 F166 Y167 E213 | I54-L211 CarbonylContact C-O 3.57Å; I54-L211 WeakPolarHBondContact CA-O 3.28Å; Q55-L211 PolarHBondContact N-O 2.59Å; Q55-L211 PolarHBondContact O-N 2.75Å; Q58-L211 HydrophobicContact CB-CB 4.01Å; Q58-L211 HydrophobicContact CG-CB 3.78Å; P61-L211 HydrophobicContact CG-CD1 4.43Å; F166-L211 WeakPolarHBondContact O-CA 3.28Å; Y167-L211 HydrophobicContact CD2-CB 4.3Å; Y167-L211 HydrophobicContact CD2-CD1 4.3Å; L211-E213 HydrophobicContact CD2-CG 4.05Å; L211-E213 HydrophobicContact CG-CG 3.93Å |
| 212 | V | 98.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.8 | 169.5 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | M52 R53 I54 S165 F166 Y168 V201 F214 | M52-V212 HydrophobicContact CG-CG1 3.83Å; M52-V212 HydrophobicContact SD-CG1 4.05Å; R53-V212 CarbonylContact O-C 3.56Å; R53-V212 WeakPolarHBondContact O-CA 3.24Å; I54-V212 HydrophobicContact CG1-CG1 4.29Å; I54-V212 HydrophobicContact CG1-CG2 4.27Å; I54-V212 HydrophobicContact CG2-CG2 3.93Å; S165-V212 CarbonylContact C-O 3.51Å; S165-V212 WeakPolarHBondContact CA-O 3.48Å; F166-V212 HydrophobicContact CB-CB 4.17Å; F166-V212 PolarHBondContact N-O 3.01Å; F166-V212 PolarHBondContact O-N 2.84Å; Y168-V212 HydrophobicContact CE2-CG2 3.95Å; V201-V212 HydrophobicContact CG1-CG2 3.81Å; V201-V212 HydrophobicContact CG2-CB 4.49Å; V201-V212 HydrophobicContact CG2-CG1 3.91Å; V201-V212 HydrophobicContact CG2-CG2 4.1Å; V212-F214 HydrophobicContact CG1-CD2 4.28Å; V212-F214 HydrophobicContact CG1-CE1 4.31Å; V212-F214 HydrophobicContact CG1-CE2 3.59Å; V212-F214 HydrophobicContact CG1-CZ 3.62Å |
| 213 | E | 97.9 | Very high | 85.8 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 7% | 0.065 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.8 | 177.9 | -57.1 | -176 | 116 | 0 | 0 | 109.9 | M52 R53 K163 L164 L211 | M52-E213 CarbonylContact C-O 3.55Å; M52-E213 WeakPolarHBondContact CA-O 3.03Å; R53-E213 HydrophobicContact CB-CB 4.42Å; R53-E213 PolarHBondContact N-O 2.81Å; R53-E213 IonicContact NH1-OE2 3.39Å; R53-E213 PolarHBondContact NH1-OE2 3.34Å; R53-E213 VanDerWaalsContact NH1-OE2 3.08Å; R53-E213 PolarHBondContact O-N 3.47Å; K163-E213 HydrophobicContact CD-CB 4.18Å; K163-E213 HydrophobicContact CD-CG 4.3Å; K163-E213 WeakPolarHBondContact CD-OE1 3.42Å; K163-E213 WeakPolarHBondContact CE-OE1 3.48Å; K163-E213 HydrophobicContact CG-CB 4.45Å; K163-E213 IonicContact NZ-OE1 3.71Å; K163-E213 PolarHBondContact NZ-OE1 3.27Å; L164-E213 WeakPolarHBondContact O-CA 3.41Å; L211-E213 HydrophobicContact CD2-CG 4.05Å; L211-E213 HydrophobicContact CG-CG 3.93Å |
| 214 | F | 96.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 128.6 | 170.9 | -53.8 | -88.1 | 0 | 0 | 0 | 109.4 | Y50 S51 M52 K163 L164 F166 I184 I199 V201 V212 | Y50-F214 HydrophobicContact CD1-CB 4.08Å; S51-F214 VanDerWaalsContact O-CA 3.29Å; S51-F214 WeakPolarHBondContact O-CA 3.08Å; M52-F214 HydrophobicContact CB-CD1 4.04Å; M52-F214 HydrophobicContact CB-CE1 4.05Å; M52-F214 HydrophobicContact CG-CD1 4.13Å; M52-F214 HydrophobicContact CG-CE1 3.77Å; M52-F214 HydrophobicContact CG-CZ 4.36Å; M52-F214 HydrophobicContact SD-CE1 3.63Å; M52-F214 HydrophobicContact SD-CZ 4.03Å; K163-F214 WeakPolarHBondContact CA-O 3.34Å; L164-F214 HydrophobicContact CB-CB 4.27Å; L164-F214 HydrophobicContact CB-CD2 4.45Å; L164-F214 HydrophobicContact CD2-CD2 4.19Å; L164-F214 HydrophobicContact CG-CD2 4.18Å; L164-F214 PolarHBondContact N-O 3.13Å; L164-F214 PolarHBondContact O-N 2.93Å; F166-F214 AromaticContact CD2-CE2 3.7Å; F166-F214 HydrophobicContact CD2-CE2 3.7Å; F166-F214 HydrophobicContact CD2-CZ 4.29Å; F166-F214 AromaticContact CE2-CE2 3.58Å; F166-F214 HydrophobicContact CE2-CE2 3.58Å; F166-F214 HydrophobicContact CE2-CZ 4.04Å; F166-F214 HydrophobicContact CG-CE2 4.29Å; F166-F214 HydrophobicContact CZ-CE2 4.06Å; I184-F214 HydrophobicContact CD1-CB 4.1Å; I184-F214 HydrophobicContact CD1-CD1 3.67Å; I184-F214 HydrophobicContact CD1-CE1 4.2Å; I184-F214 HydrophobicContact CD1-CG 3.85Å; I184-F214 HydrophobicContact CG1-CD1 4.12Å; I184-F214 HydrophobicContact CG1-CE1 4.13Å; I184-F214 HydrophobicContact CG2-CD2 4.29Å; I184-F214 HydrophobicContact CG2-CE2 4.14Å; I184-F214 HydrophobicContact CG2-CZ 4.35Å; I199-F214 HydrophobicContact CB-CE1 4.35Å; I199-F214 HydrophobicContact CG2-CD1 4.29Å; I199-F214 HydrophobicContact CG2-CE1 3.68Å; V201-F214 HydrophobicContact CG2-CZ 3.87Å; V212-F214 HydrophobicContact CG1-CD2 4.28Å; V212-F214 HydrophobicContact CG1-CE1 4.31Å; V212-F214 HydrophobicContact CG1-CE2 3.59Å; V212-F214 HydrophobicContact CG1-CZ 3.62Å |
| 215 | E | 92.8 | Very high | 83.6 | Confident | 56 Ų | 56 | 44.3 Ų | 44.3 | 26% | 0.262 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.1 | 177 | -66.5 | -177.1 | -165.9 | 0 | 0 | 109.6 | Y50 S51 R53 K163 I217 | Y50-E215 CarbonylContact C-O 3.48Å; Y50-E215 VanDerWaalsContact CA-O 3.23Å; Y50-E215 WeakPolarHBondContact CA-O 3.45Å; S51-E215 PolarHBondContact N-O 3.36Å; S51-E215 PolarHBondContact O-N 2.94Å; S51-E215 PolarHBondContact OG-O 3.12Å; R53-E215 IonicContact NH1-OE1 3.8Å; K163-E215 HydrophobicContact CB-CG 4.25Å; K163-E215 HydrophobicContact CD-CG 4.15Å; K163-E215 WeakPolarHBondContact CD-OE1 3.47Å; K163-E215 HydrophobicContact CG-CG 3.9Å; E215-I217 PolarHBondContact O-N 2.83Å |
| 216 | A | 87.6 | Confident | 82.7 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N49 Y50 | N49-A216 CarbonylContact O-C 3.49Å; N49-A216 VanDerWaalsContact O-CA 3.3Å; N49-A216 WeakPolarHBondContact O-CA 3.47Å; Y50-A216 HydrophobicContact CE1-CB 4.27Å |
| 217 | I | 77.3 | Confident | 82 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | trans | -91.6 | 115.4 | 174.5 | -60.7 | 174 | 0 | 0 | 0 | 107.5 | I46 N49 Y50 S51 E215 I251 | I46-I217 HydrophobicContact CB-CD1 4.34Å; I46-I217 HydrophobicContact CG1-CD1 4.19Å; I46-I217 HydrophobicContact CG2-CD1 3.67Å; N49-I217 PolarHBondContact O-N 2.92Å; Y50-I217 WeakPolarHBondContact O-CD1 3.1Å; S51-I217 VanDerWaalsContact N-CD1 3.31Å; E215-I217 PolarHBondContact O-N 2.83Å; I217-I251 HydrophobicContact CG2-CD1 3.57Å; I217-I251 HydrophobicContact CG2-CG1 4.26Å | ||
| 218 | G | 65.5 | Low | 81.2 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | trans | -62.6 | 144.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I220 | G218-I220 PolarHBondContact O-N 2.82Š| ||
| 219 | E | 59.4 | Low | 80.5 | Confident | 138 Ų | 138 | 47.7 Ų | 47.7 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 0.3 | -168.3 | -62.5 | 177.6 | 165.5 | 0 | 0 | 117 | C221 | E219-C221 PolarHBondContact O-N 3.42Š|
| 220 | I | 59.2 | Low | 79.6 | Confident | 53 Ų | 53 | 47.1 Ų | 47.1 | 27% | 0.272 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -38.8 | -158.6 | -61.5 | 174.9 | 0 | 0 | 0 | 112.8 | G218 Q223 Y224 T235 T238 | G218-I220 PolarHBondContact O-N 2.82Å; I220-Q223 WeakPolarHBondContact O-CG 3.42Å; I220-Q223 PolarHBondContact O-NE2 3.16Å; I220-Y224 WeakPolarHBondContact O-CD2 3.25Å; I220-Y224 WeakPolarHBondContact O-CE2 3.49Å; I220-T235 HydrophobicContact CG2-CG2 3.78Å; I220-T238 HydrophobicContact CB-CG2 4.49Å |
| 221 | C | 66.3 | Low | 78.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -34 | -170.3 | -60.2 | 0 | 0 | 0 | 0 | 113.4 | E219 Q223 Y224 C240 C249 I251 | E219-C221 PolarHBondContact O-N 3.42Å; C221-Q223 PolarHBondContact O-N 2.92Å; C221-Q223 VanDerWaalsContact O-N 3.1Å; C221-Y224 VanDerWaalsContact O-CD2 3.31Å; C221-Y224 WeakPolarHBondContact O-CD2 3.41Å; C221-Y224 PolarHBondContact O-N 3.16Å; C221-C240 WeakPolarHBondContact CA-SG 3.41Å; C221-C240 HydrophobicContact CB-CB 3.82Å; C221-C240 WeakPolarHBondContact CB-SG 3.36Å; C221-C240 VanDerWaalsContact SG-CA 3.53Å; C221-C240 WeakPolarHBondContact SG-CB 3.35Å; C221-C240 CovalentContact SG-SG 2.02Å; C221-C240 PolarHBondContact SG-SG 2.98Å; C221-C249 HydrophobicContact CB-CB 4.44Å; C221-C249 VanDerWaalsContact O-CB 3.24Å; C221-C249 WeakPolarHBondContact O-CB 3.48Å; C221-C249 PolarHBondContact O-SG 2.74Å; C221-I251 HydrophobicContact CB-CG1 4.14Å; C221-I251 WeakPolarHBondContact SG-CG1 3.41Å |
| 222 | S | 64.5 | Low | 77.2 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.4 | -172.2 | -54.2 | 0 | 0 | 0 | 0 | 114.5 | Y224 | S222-Y224 PolarHBondContact O-N 3.39Š|
| 223 | Q | 63.9 | Low | 75.4 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.9 | 172.7 | 70.8 | -171.2 | -18.2 | 0 | 0 | 113.5 | I220 C221 | I220-Q223 WeakPolarHBondContact O-CG 3.42Å; I220-Q223 PolarHBondContact O-NE2 3.16Å; C221-Q223 PolarHBondContact O-N 2.92Å; C221-Q223 VanDerWaalsContact O-N 3.1Å |
| 224 | Y | 71.8 | Confident | 73.6 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 24% | 0.235 | 35% | 0.353 | C | S | . | . | trans | -93.8 | 105.9 | -177.8 | -56 | -65.4 | 0 | 0 | 0 | 110.6 | I220 C221 S222 T226 S233 C249 | I220-Y224 WeakPolarHBondContact O-CD2 3.25Å; I220-Y224 WeakPolarHBondContact O-CE2 3.49Å; C221-Y224 VanDerWaalsContact O-CD2 3.31Å; C221-Y224 WeakPolarHBondContact O-CD2 3.41Å; C221-Y224 PolarHBondContact O-N 3.16Å; S222-Y224 PolarHBondContact O-N 3.39Å; Y224-T226 VanDerWaalsContact C-N 3.34Å; Y224-S233 WeakPolarHBondContact CD2-OG 3.31Å; Y224-S233 WeakPolarHBondContact CE2-OG 3.38Å; Y224-S233 WeakPolarHBondContact OH-CB 3.43Å; Y224-C249 VanDerWaalsContact O-CB 3.25Å; Y224-C249 WeakPolarHBondContact O-CB 3.48Å | ||
| 225 | N | 72.1 | Confident | 71.8 | Confident | 114 Ų | 114 | 69.7 Ų | 69.7 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | trans | -90.9 | 6.2 | -174.5 | -60.1 | -21.6 | 0 | 0 | 0 | 113.6 | ||||
| 226 | T | 79 | Confident | 69.9 | Low | 55 Ų | 55 | 76.1 Ų | 76.1 | 34% | 0.337 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -135.9 | 150.8 | 178.4 | 85.5 | 0 | 0 | 0 | 0 | 111.1 | Y224 E228 T229 C230 | Y224-T226 VanDerWaalsContact C-N 3.34Å; T226-E228 WeakPolarHBondContact CB-OE2 3.28Å; T226-E228 PolarHBondContact O-N 2.84Å; T226-E228 PolarHBondContact OG1-OE2 2.67Å; T226-T229 PolarHBondContact N-OG1 3.3Å; T226-T229 PolarHBondContact O-N 2.89Å; T226-T229 PolarHBondContact O-OG1 3.43Å; T226-T229 WeakPolarHBondContact OG1-CG2 3.48Å; T226-T229 PolarHBondContact OG1-N 2.72Å; T226-T229 PolarHBondContact OG1-OG1 2.72Å; T226-C230 VanDerWaalsContact O-CB 3.31Å; T226-C230 WeakPolarHBondContact O-CB 3.1Å; T226-C230 PolarHBondContact O-N 3.29Å |
| 227 | S | 81.3 | Confident | 68.4 | Low | 34 Ų | 34 | 78 Ų | 78 | 24% | 0.238 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54.8 | -39.2 | 177.5 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | C230 Q231 | S227-C230 PolarHBondContact O-N 2.9Å; S227-Q231 WeakPolarHBondContact O-CB 3.38Å; S227-Q231 VanDerWaalsContact O-CG 3.28Å; S227-Q231 WeakPolarHBondContact O-CG 3.05Å; S227-Q231 PolarHBondContact O-N 3.01Å |
| 228 | E | 80.3 | Confident | 67.7 | Low | 94 Ų | 94 | 77.5 Ų | 77.5 | 44% | 0.439 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -72.5 | -37.3 | -176.9 | -50.1 | 80 | -175.6 | 0 | 0 | 111.9 | T226 R232 | T226-E228 WeakPolarHBondContact CB-OE2 3.28Å; T226-E228 PolarHBondContact O-N 2.84Å; T226-E228 PolarHBondContact OG1-OE2 2.67Å; E228-R232 WeakPolarHBondContact O-CB 3.04Å; E228-R232 WeakPolarHBondContact O-CD 3.05Å; E228-R232 WeakPolarHBondContact O-CG 3.35Å; E228-R232 PolarHBondContact O-N 3.36Å |
| 229 | T | 81.9 | Confident | 67.8 | Low | 53 Ų | 53 | 78.5 Ų | 78.5 | 33% | 0.325 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.9 | -34.6 | 177.6 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | T226 S233 | T226-T229 PolarHBondContact N-OG1 3.3Å; T226-T229 PolarHBondContact O-N 2.89Å; T226-T229 PolarHBondContact O-OG1 3.43Å; T226-T229 WeakPolarHBondContact OG1-CG2 3.48Å; T226-T229 PolarHBondContact OG1-N 2.72Å; T226-T229 PolarHBondContact OG1-OG1 2.72Å; T229-S233 PolarHBondContact O-N 3.11Å; T229-S233 PolarHBondContact O-OG 3.25Å |
| 230 | C | 79.1 | Confident | 68.5 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 113.3 | T226 S227 R232 S233 I241 W242 C249 | T226-C230 VanDerWaalsContact O-CB 3.31Å; T226-C230 WeakPolarHBondContact O-CB 3.1Å; T226-C230 PolarHBondContact O-N 3.29Å; S227-C230 PolarHBondContact O-N 2.9Å; C230-R232 PolarHBondContact O-N 3.41Å; C230-S233 PolarHBondContact O-N 3.08Å; C230-S233 VanDerWaalsContact O-N 3.16Å; C230-S233 PolarHBondContact O-OG 3.41Å; C230-I241 PolarHBondContact SG-O 2.98Å; C230-I241 VanDerWaalsContact SG-O 3.35Å; C230-W242 HydrophobicContact CB-CB 4.34Å; C230-W242 HydrophobicContact CB-CE3 3.72Å; C230-W242 HydrophobicContact CB-CZ3 4.46Å; C230-W242 PolarHBondContact SG-N 3.15Å; C230-W242 VanDerWaalsContact SG-N 3.45Å; C230-C249 WeakPolarHBondContact CA-SG 3.16Å; C230-C249 HydrophobicContact CB-CB 3.47Å; C230-C249 VanDerWaalsContact CB-CB 3.47Å; C230-C249 WeakPolarHBondContact CB-SG 3.17Å; C230-C249 WeakPolarHBondContact SG-CA 3.48Å; C230-C249 WeakPolarHBondContact SG-CB 3.09Å; C230-C249 CovalentContact SG-SG 2.01Å; C230-C249 PolarHBondContact SG-SG 2.78Å |
| 231 | Q | 75.6 | Confident | 69.3 | Low | 125 Ų | 125 | 70.6 Ų | 70.6 | 58% | 0.584 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.3 | -25.2 | -178.7 | -72.7 | 175.4 | -9.3 | 0 | 0 | 112.6 | S227 | S227-Q231 WeakPolarHBondContact O-CB 3.38Å; S227-Q231 VanDerWaalsContact O-CG 3.28Å; S227-Q231 WeakPolarHBondContact O-CG 3.05Å; S227-Q231 PolarHBondContact O-N 3.01Å |
| 232 | R | 71.2 | Confident | 69.9 | Low | 196 Ų | 196 | 72.6 Ų | 72.6 | 74% | 0.74 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.4 | 176.5 | -71.2 | 176.2 | -166.4 | 148.4 | 6.4 | 113.2 | E228 C230 I234 | E228-R232 WeakPolarHBondContact O-CB 3.04Å; E228-R232 WeakPolarHBondContact O-CD 3.05Å; E228-R232 WeakPolarHBondContact O-CG 3.35Å; E228-R232 PolarHBondContact O-N 3.36Å; C230-R232 PolarHBondContact O-N 3.41Å; R232-I234 VanDerWaalsContact C-N 3.34Å; R232-I234 PolarHBondContact O-N 3.42Å |
| 233 | S | 60.4 | Low | 70.3 | Confident | 8 Ų | 8 | 70 Ų | 70 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | trans | -86 | 82.6 | -177.7 | 60.6 | 0 | 0 | 0 | 0 | 111 | Y224 T229 C230 C240 | Y224-S233 WeakPolarHBondContact CD2-OG 3.31Å; Y224-S233 WeakPolarHBondContact CE2-OG 3.38Å; Y224-S233 WeakPolarHBondContact OH-CB 3.43Å; T229-S233 PolarHBondContact O-N 3.11Å; T229-S233 PolarHBondContact O-OG 3.25Å; C230-S233 PolarHBondContact O-N 3.08Å; C230-S233 VanDerWaalsContact O-N 3.16Å; C230-S233 PolarHBondContact O-OG 3.41Å; S233-C240 WeakPolarHBondContact OG-CB 3.19Å; S233-C240 PolarHBondContact OG-SG 2.9Å; S233-C240 VanDerWaalsContact OG-SG 3.32Å | ||
| 234 | I | 59.7 | Low | 71 | Confident | 128 Ų | 128 | 70.1 Ų | 70.1 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | B | Isolated β-bridge | trans | -101.2 | 112.8 | 167.6 | -57.5 | 171.5 | 0 | 0 | 0 | 106.6 | R232 | R232-I234 VanDerWaalsContact C-N 3.34Å; R232-I234 PolarHBondContact O-N 3.42Å |
| 235 | T | 58.4 | Low | 70.9 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 31% | 0.307 | 37% | 0.369 | S | S | . | . | trans | -98.7 | 162.1 | 163.2 | 65 | 0 | 0 | 0 | 0 | 108.7 | I220 K237 T238 | I220-T235 HydrophobicContact CG2-CG2 3.78Å; T235-K237 PolarHBondContact O-N 2.98Å; T235-T238 PolarHBondContact N-O 3.06Å; T235-T238 VanDerWaalsContact N-O 3.08Å; T235-T238 PolarHBondContact O-N 3.28Å; T235-T238 WeakPolarHBondContact OG1-CB 3.24Å; T235-T238 PolarHBondContact OG1-N 2.97Å; T235-T238 VanDerWaalsContact OG1-N 3.16Å; T235-T238 PolarHBondContact OG1-O 3.46Å; T235-T238 VanDerWaalsContact OG1-O 3.11Å | ||
| 236 | L | 53.4 | Low | 70.7 | Confident | 192 Ų | 192 | 70.1 Ų | 70.1 | 100% | 1.005 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -56.7 | -15.9 | 178.9 | -73.5 | 167 | 0 | 0 | 0 | 114.1 | ||
| 237 | K | 56.6 | Low | 70.5 | Confident | 101 Ų | 101 | 74.9 Ų | 74.9 | 44% | 0.439 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -120.8 | -16.2 | -173.7 | -63.4 | -168.9 | 174.4 | -162.4 | 0 | 114.8 | T235 N253 E358 | T235-K237 PolarHBondContact O-N 2.98Å; K237-N253 PolarHBondContact O-ND2 3.26Å; K237-N253 VanDerWaalsContact O-ND2 3.16Å; K237-E358 IonicContact NZ-OE1 2.67Å |
| 238 | T | 62.3 | Low | 70 | Confident | 16 Ų | 16 | 76.5 Ų | 76.5 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | trans | -144.6 | 119.4 | -167.9 | -49.4 | 0 | 0 | 0 | 0 | 108.4 | I220 T235 I251 | I220-T238 HydrophobicContact CB-CG2 4.49Å; T235-T238 PolarHBondContact N-O 3.06Å; T235-T238 VanDerWaalsContact N-O 3.08Å; T235-T238 PolarHBondContact O-N 3.28Å; T235-T238 WeakPolarHBondContact OG1-CB 3.24Å; T235-T238 PolarHBondContact OG1-N 2.97Å; T235-T238 VanDerWaalsContact OG1-N 3.16Å; T235-T238 PolarHBondContact OG1-O 3.46Å; T235-T238 VanDerWaalsContact OG1-O 3.11Å; T238-I251 HydrophobicContact CG2-CB 4.17Å; T238-I251 HydrophobicContact CG2-CD1 3.96Å; T238-I251 HydrophobicContact CG2-CG1 3.68Å; T238-I251 HydrophobicContact CG2-CG2 3.65Å | ||
| 239 | T | 67.8 | Low | 69.6 | Low | 65 Ų | 65 | 72.2 Ų | 72.2 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -94.2 | 131.7 | 168.7 | -59.1 | 0 | 0 | 0 | 0 | 106.5 | I251 S252 N253 | T239-I251 CarbonylContact O-C 3.48Å; T239-S252 WeakPolarHBondContact CB-OG 3.48Å; T239-S252 WeakPolarHBondContact CG2-OG 3.42Å; T239-S252 WeakPolarHBondContact O-CB 3.26Å; T239-S252 PolarHBondContact O-N 2.81Å; T239-N253 PolarHBondContact N-OD1 2.98Å |
| 240 | C | 73.7 | Confident | 69.1 | Low | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 142.4 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | C221 S233 C249 I250 | C221-C240 WeakPolarHBondContact CA-SG 3.41Å; C221-C240 HydrophobicContact CB-CB 3.82Å; C221-C240 WeakPolarHBondContact CB-SG 3.36Å; C221-C240 VanDerWaalsContact SG-CA 3.53Å; C221-C240 WeakPolarHBondContact SG-CB 3.35Å; C221-C240 CovalentContact SG-SG 2.02Å; C221-C240 PolarHBondContact SG-SG 2.98Å; S233-C240 WeakPolarHBondContact OG-CB 3.19Å; S233-C240 PolarHBondContact OG-SG 2.9Å; S233-C240 VanDerWaalsContact OG-SG 3.32Å; C240-C249 WeakPolarHBondContact CB-SG 3.13Å; C240-I250 CarbonylContact C-O 3.57Å; C240-I250 VanDerWaalsContact CA-O 3.25Å; C240-I250 WeakPolarHBondContact CA-O 3.39Å |
| 241 | I | 75.4 | Confident | 68.7 | Low | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.7 | 175.5 | -175.7 | 173.6 | 0 | 0 | 0 | 109.4 | C230 I250 T257 C260 H261 | C230-I241 PolarHBondContact SG-O 2.98Å; C230-I241 VanDerWaalsContact SG-O 3.35Å; I241-I250 HydrophobicContact CG2-CD1 3.97Å; I241-I250 HydrophobicContact CG2-CG1 3.4Å; I241-I250 VanDerWaalsContact CG2-CG1 3.4Å; I241-I250 PolarHBondContact N-O 2.83Å; I241-I250 WeakPolarHBondContact O-CG1 3.37Å; I241-I250 PolarHBondContact O-N 3.32Å; I241-T257 HydrophobicContact CG2-CG2 3.91Å; I241-C260 HydrophobicContact CD1-CB 4.09Å; I241-H261 WeakPolarHBondContact CD1-NE2 3.34Å |
| 242 | W | 78.9 | Confident | 68.1 | Low | 42 Ų | 42 | 66.8 Ų | 66.8 | 16% | 0.159 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.9 | 175.2 | -174.6 | -102.4 | 0 | 0 | 0 | 109.6 | C230 E247 C249 | C230-W242 HydrophobicContact CB-CB 4.34Å; C230-W242 HydrophobicContact CB-CE3 3.72Å; C230-W242 HydrophobicContact CB-CZ3 4.46Å; C230-W242 PolarHBondContact SG-N 3.15Å; C230-W242 VanDerWaalsContact SG-N 3.45Å; W242-E247 VanDerWaalsContact CH2-C 3.49Å; W242-E247 WeakPolarHBondContact CH2-O 2.92Å; W242-E247 VanDerWaalsContact CZ2-C 3.44Å; W242-E247 HydrophobicContact CZ2-CB 4.41Å; W242-E247 WeakPolarHBondContact CZ2-O 3.33Å; W242-C249 HydrophobicContact CE3-CB 4.08Å; W242-C249 HydrophobicContact CZ3-CB 4.29Å |
| 243 | C | 74.1 | Confident | 67.4 | Low | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 109 | 171 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | K245 G246 E247 K248 I250 C260 | C243-K245 PolarHBondContact O-N 2.85Å; C243-G246 PolarHBondContact O-N 2.71Å; C243-E247 WeakPolarHBondContact O-CA 2.9Å; C243-E247 PolarHBondContact O-N 3.04Å; C243-K248 PolarHBondContact N-O 3.08Å; C243-K248 PolarHBondContact O-N 2.83Å; C243-I250 HydrophobicContact CB-CD1 4.09Å; C243-I250 HydrophobicContact CB-CG1 4.39Å; C243-I250 HydrophobicContact CB-CG2 4.22Å; C243-C260 HydrophobicContact CB-CB 4.34Å |
| 244 | E | 78 | Confident | 67.1 | Low | 112 Ų | 112 | 62.4 Ų | 62.4 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -44.4 | 179.8 | -67 | -164.9 | 167.5 | 0 | 0 | 111.8 | G246 E247 | E244-G246 PolarHBondContact O-N 3.11Å; E244-E247 PolarHBondContact O-N 2.02Å; E244-E247 VanDerWaalsContact O-N 3.09Å |
| 245 | K | 70.4 | Confident | 66.8 | Low | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.1 | -179 | -172.9 | 178 | 172.7 | -167.5 | 0 | 113.1 | I36 C243 | I36-K245 PolarHBondContact O-NZ 3.21Å; C243-K245 PolarHBondContact O-N 2.85Å |
| 246 | G | 67.3 | Low | 66.5 | Low | 19 Ų | 19 | 63.5 Ų | 63.5 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -4.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C243 E244 K248 | C243-G246 PolarHBondContact O-N 2.71Å; E244-G246 PolarHBondContact O-N 3.11Å; G246-K248 WeakPolarHBondContact O-CG 3.25Å; G246-K248 PolarHBondContact O-N 3.31Å |
| 247 | E | 73.8 | Confident | 66.5 | Low | 154 Ų | 154 | 54.8 Ų | 54.8 | 72% | 0.72 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.6 | 39.2 | -168.7 | -62.4 | -172.3 | 160.8 | 0 | 0 | 113.4 | W242 C243 E244 | W242-E247 VanDerWaalsContact CH2-C 3.49Å; W242-E247 WeakPolarHBondContact CH2-O 2.92Å; W242-E247 VanDerWaalsContact CZ2-C 3.44Å; W242-E247 HydrophobicContact CZ2-CB 4.41Å; W242-E247 WeakPolarHBondContact CZ2-O 3.33Å; C243-E247 WeakPolarHBondContact O-CA 2.9Å; C243-E247 PolarHBondContact O-N 3.04Å; E244-E247 PolarHBondContact O-N 2.02Å; E244-E247 VanDerWaalsContact O-N 3.09Å |
| 248 | K | 71.2 | Confident | 66.3 | Low | 69 Ų | 69 | 56.8 Ų | 56.8 | 30% | 0.3 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.9 | -173.4 | -75.5 | -167.6 | -153.6 | 165.2 | 0 | 114.1 | Y32 I34 C243 G246 | Y32-K248 HydrophobicContact CE2-CD 4.39Å; Y32-K248 VanDerWaalsContact CZ-NZ 3.3Å; Y32-K248 WeakPolarHBondContact OH-CD 3.38Å; Y32-K248 PolarHBondContact OH-NZ 3.05Å; I34-K248 HydrophobicContact CD1-CD 3.43Å; I34-K248 VanDerWaalsContact CD1-CD 3.43Å; I34-K248 HydrophobicContact CD1-CG 4.41Å; C243-K248 PolarHBondContact N-O 3.08Å; C243-K248 PolarHBondContact O-N 2.83Å; G246-K248 WeakPolarHBondContact O-CG 3.25Å; G246-K248 PolarHBondContact O-N 3.31Å |
| 249 | C | 73.5 | Confident | 65.9 | Low | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.027 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.5 | 175.5 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | C221 Y224 C230 C240 W242 | C221-C249 HydrophobicContact CB-CB 4.44Å; C221-C249 VanDerWaalsContact O-CB 3.24Å; C221-C249 WeakPolarHBondContact O-CB 3.48Å; C221-C249 PolarHBondContact O-SG 2.74Å; Y224-C249 VanDerWaalsContact O-CB 3.25Å; Y224-C249 WeakPolarHBondContact O-CB 3.48Å; C230-C249 WeakPolarHBondContact CA-SG 3.16Å; C230-C249 HydrophobicContact CB-CB 3.47Å; C230-C249 VanDerWaalsContact CB-CB 3.47Å; C230-C249 WeakPolarHBondContact CB-SG 3.17Å; C230-C249 WeakPolarHBondContact SG-CA 3.48Å; C230-C249 WeakPolarHBondContact SG-CB 3.09Å; C230-C249 CovalentContact SG-SG 2.01Å; C230-C249 PolarHBondContact SG-SG 2.78Å; C240-C249 WeakPolarHBondContact CB-SG 3.13Å; W242-C249 HydrophobicContact CE3-CB 4.08Å; W242-C249 HydrophobicContact CZ3-CB 4.29Å |
| 250 | I | 71.1 | Confident | 65.3 | Low | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 162.2 | -177.1 | 70.5 | 171.7 | 0 | 0 | 0 | 109.9 | I36 I46 C240 I241 C243 T257 C260 | I36-I250 HydrophobicContact CD1-CG2 4.47Å; I46-I250 HydrophobicContact CD1-CB 3.73Å; I46-I250 HydrophobicContact CD1-CD1 4.5Å; I46-I250 HydrophobicContact CD1-CG2 3.3Å; C240-I250 CarbonylContact C-O 3.57Å; C240-I250 VanDerWaalsContact CA-O 3.25Å; C240-I250 WeakPolarHBondContact CA-O 3.39Å; I241-I250 HydrophobicContact CG2-CD1 3.97Å; I241-I250 HydrophobicContact CG2-CG1 3.4Å; I241-I250 VanDerWaalsContact CG2-CG1 3.4Å; I241-I250 PolarHBondContact N-O 2.83Å; I241-I250 WeakPolarHBondContact O-CG1 3.37Å; I241-I250 PolarHBondContact O-N 3.32Å; C243-I250 HydrophobicContact CB-CD1 4.09Å; C243-I250 HydrophobicContact CB-CG1 4.39Å; C243-I250 HydrophobicContact CB-CG2 4.22Å; I250-T257 HydrophobicContact CD1-CG2 3.66Å; I250-T257 HydrophobicContact CG1-CG2 4.28Å; I250-C260 WeakPolarHBondContact CD1-SG 3.28Å |
| 251 | I | 69.3 | Low | 64.3 | Low | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.7 | 177 | -63.2 | 177.7 | 0 | 0 | 0 | 109.4 | I217 C221 T238 T239 N253 T257 | I217-I251 HydrophobicContact CG2-CD1 3.57Å; I217-I251 HydrophobicContact CG2-CG1 4.26Å; C221-I251 HydrophobicContact CB-CG1 4.14Å; C221-I251 WeakPolarHBondContact SG-CG1 3.41Å; T238-I251 HydrophobicContact CG2-CB 4.17Å; T238-I251 HydrophobicContact CG2-CD1 3.96Å; T238-I251 HydrophobicContact CG2-CG1 3.68Å; T238-I251 HydrophobicContact CG2-CG2 3.65Å; T239-I251 CarbonylContact O-C 3.48Å; I251-N253 VanDerWaalsContact C-N 3.27Å; I251-N253 HydrophobicContact CG2-CB 3.67Å; I251-N253 VanDerWaalsContact CG2-OD1 3.28Å; I251-N253 WeakPolarHBondContact CG2-OD1 3.31Å; I251-N253 PolarHBondContact O-N 3.38Å; I251-T257 WeakPolarHBondContact O-CG2 3.32Å |
| 252 | S | 64 | Low | 62.6 | Low | 35 Ų | 35 | 67.7 Ų | 67.7 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6.9 | -179.9 | 103.6 | 0 | 0 | 0 | 0 | 113.8 | T239 L254 T257 | T239-S252 WeakPolarHBondContact CB-OG 3.48Å; T239-S252 WeakPolarHBondContact CG2-OG 3.42Å; T239-S252 WeakPolarHBondContact O-CB 3.26Å; T239-S252 PolarHBondContact O-N 2.81Å; S252-L254 PolarHBondContact O-N 3.49Å; S252-L254 VanDerWaalsContact O-N 3.16Å; S252-T257 PolarHBondContact O-OG1 3.35Å |
| 253 | N | 56.1 | Low | 60.4 | Low | 95 Ų | 95 | 73.6 Ų | 73.6 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.2 | -177.4 | -48.4 | 15.4 | 0 | 0 | 0 | 112.7 | K237 T239 I251 | K237-N253 PolarHBondContact O-ND2 3.26Å; K237-N253 VanDerWaalsContact O-ND2 3.16Å; T239-N253 PolarHBondContact N-OD1 2.98Å; I251-N253 VanDerWaalsContact C-N 3.27Å; I251-N253 HydrophobicContact CG2-CB 3.67Å; I251-N253 VanDerWaalsContact CG2-OD1 3.28Å; I251-N253 WeakPolarHBondContact CG2-OD1 3.31Å; I251-N253 PolarHBondContact O-N 3.38Å |
| 254 | L | 55.2 | Low | 58.2 | Low | 17 Ų | 17 | 82.8 Ų | 82.8 | 9% | 0.089 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -85.5 | 119.9 | 173.1 | -66.2 | 131.3 | 0 | 0 | 0 | 107.5 | Y44 S252 D256 T257 | Y44-L254 HydrophobicContact CE2-CD2 3.96Å; Y44-L254 WeakPolarHBondContact OH-CD1 3.35Å; S252-L254 PolarHBondContact O-N 3.49Å; S252-L254 VanDerWaalsContact O-N 3.16Å; L254-D256 PolarHBondContact O-N 2.75Å; L254-T257 HydrophobicContact CB-CG2 4.19Å; L254-T257 PolarHBondContact O-N 3Å; L254-T257 PolarHBondContact O-OG1 3.43Å |
| 255 | Q | 52.3 | Low | 55.8 | Low | 161 Ų | 161 | 83.1 Ų | 83.1 | 75% | 0.752 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -46.1 | -23.6 | 173.8 | -155.9 | 108.4 | -2.5 | 0 | 0 | 112.3 | T257 H258 | Q255-T257 VanDerWaalsContact C-N 3.34Å; Q255-T257 PolarHBondContact O-N 2.9Å; Q255-H258 PolarHBondContact O-CD2 3.42Å |
| 256 | D | 53.2 | Low | 54 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 21% | 0.214 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -84.6 | 1.5 | -176.7 | -47.5 | -47.7 | 0 | 0 | 0 | 114.4 | I37 Y42 R53 L254 H258 | I37-D256 WeakPolarHBondContact CD1-O 3.31Å; Y42-D256 WeakPolarHBondContact OH-CB 3.4Å; Y42-D256 PolarHBondContact OH-OD2 2.94Å; R53-D256 IonicContact CZ-OD2 3.57Å; R53-D256 VanDerWaalsContact CZ-OD2 3.25Å; R53-D256 IonicContact NE-OD2 2.59Å; R53-D256 PolarHBondContact NE-OD2 2.82Å; R53-D256 IonicContact NH2-OD2 3.49Å; R53-D256 PolarHBondContact NH2-OD2 3.33Å; L254-D256 PolarHBondContact O-N 2.75Å; D256-H258 VanDerWaalsContact C-N 3.29Å; D256-H258 PolarHBondContact O-N 2.98Å |
| 257 | T | 53.2 | Low | 52.2 | Low | 10 Ų | 10 | 87.2 Ų | 87.2 | 6% | 0.061 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -81.3 | -2.9 | 179.3 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | I241 I250 I251 S252 L254 Q255 D259 C260 | I241-T257 HydrophobicContact CG2-CG2 3.91Å; I250-T257 HydrophobicContact CD1-CG2 3.66Å; I250-T257 HydrophobicContact CG1-CG2 4.28Å; I251-T257 WeakPolarHBondContact O-CG2 3.32Å; S252-T257 PolarHBondContact O-OG1 3.35Å; L254-T257 HydrophobicContact CB-CG2 4.19Å; L254-T257 PolarHBondContact O-N 3Å; L254-T257 PolarHBondContact O-OG1 3.43Å; Q255-T257 VanDerWaalsContact C-N 3.34Å; Q255-T257 PolarHBondContact O-N 2.9Å; T257-D259 PolarHBondContact O-N 3.28Å; T257-C260 WeakPolarHBondContact O-CB 3.25Å; T257-C260 PolarHBondContact O-N 3.33Å; T257-C260 VanDerWaalsContact O-N 3.15Å |
| 258 | H | 51.8 | Low | 50.2 | Low | 143 Ų | 143 | 85.4 Ų | 85.4 | 66% | 0.662 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -59.1 | -30.1 | 178.7 | -72 | -56.5 | 0 | 0 | 0 | 113.6 | Q255 D256 | Q255-H258 PolarHBondContact O-CD2 3.42Å; D256-H258 VanDerWaalsContact C-N 3.29Å; D256-H258 PolarHBondContact O-N 2.98Å |
| 259 | D | 52.7 | Low | 48.2 | Very low | 106 Ų | 106 | 88.7 Ų | 88.7 | 57% | 0.567 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -89.8 | 0.5 | -177.7 | -143.4 | 24.1 | 0 | 0 | 0 | 113.8 | I37 T257 H261 | I37-D259 HydrophobicContact CD1-CB 3.86Å; T257-D259 PolarHBondContact O-N 3.28Å; D259-H261 PolarHBondContact O-N 3.29Å |
| 260 | C | 57.2 | Low | 46.2 | Very low | 8 Ų | 8 | 95.8 Ų | 95.8 | 5% | 0.054 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -71.4 | -11.7 | 167.1 | -70.1 | 0 | 0 | 0 | 0 | 112.3 | I241 C243 I250 T257 V262 | I241-C260 HydrophobicContact CD1-CB 4.09Å; C243-C260 HydrophobicContact CB-CB 4.34Å; I250-C260 WeakPolarHBondContact CD1-SG 3.28Å; T257-C260 WeakPolarHBondContact O-CB 3.25Å; T257-C260 PolarHBondContact O-N 3.33Å; T257-C260 VanDerWaalsContact O-N 3.15Å; C260-V262 PolarHBondContact O-N 2.83Å |
| 261 | H | 50.9 | Low | 44.2 | Very low | 124 Ų | 124 | 102.6 Ų | 102.6 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | trans | -92 | 64.8 | 171.1 | -66.7 | -62.8 | 0 | 0 | 0 | 110.8 | I241 D259 E263 | I241-H261 WeakPolarHBondContact CD1-NE2 3.34Å; D259-H261 PolarHBondContact O-N 3.29Å; H261-E263 PolarHBondContact O-N 2.77Å; H261-E263 VanDerWaalsContact O-N 3.11Å | ||
| 262 | V | 40.1 | Very low | 42.3 | Very low | 96 Ų | 96 | 106 Ų | 106 | 58% | 0.582 | 57% | 0.569 | S | S | * | * | trans | -75.9 | 103.5 | 163.6 | -176.7 | 0 | 0 | 0 | 0 | 106.6 | C260 K264 | C260-V262 PolarHBondContact O-N 2.83Å; V262-K264 PolarHBondContact O-N 2.81Å | ||
| 263 | E | 33.8 | Very low | 40.6 | Very low | 167 Ų | 167 | 110.6 Ų | 110.6 | 78% | 0.78 | 60% | 0.595 | S | S | * | * | trans | -47.5 | 136 | 173 | -71.7 | -178.7 | 148.1 | 0 | 0 | 110.2 | H261 T265 | H261-E263 PolarHBondContact O-N 2.77Å; H261-E263 VanDerWaalsContact O-N 3.11Å; E263-T265 PolarHBondContact O-N 3.31Å | ||
| 264 | K | 28 | Very low | 39.2 | Very low | 194 Ų | 194 | 110.8 Ų | 110.8 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | trans | -50.7 | 96 | 157.1 | -92.7 | 177 | 173.6 | 169.2 | 0 | 108 | V262 S266 | V262-K264 PolarHBondContact O-N 2.81Å; K264-S266 VanDerWaalsContact C-N 3.3Å; K264-S266 PolarHBondContact O-N 2.71Å | ||
| 265 | T | 27.9 | Very low | 37.9 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | trans | -62.6 | 103.1 | 157.1 | 48.7 | 0 | 0 | 0 | 0 | 105.5 | E263 D267 | E263-T265 PolarHBondContact O-N 3.31Å; T265-D267 VanDerWaalsContact C-N 3.3Å; T265-D267 PolarHBondContact O-N 3Å | ||
| 266 | S | 30.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 113.3 Ų | 113.3 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | trans | -59.9 | 96.8 | 167.7 | 50.6 | 0 | 0 | 0 | 0 | 108.1 | K264 | K264-S266 VanDerWaalsContact C-N 3.3Å; K264-S266 PolarHBondContact O-N 2.71Å | ||
| 267 | D | 29.2 | Very low | 35.7 | Very low | 147 Ų | 147 | 118.4 Ų | 118.4 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | trans | -61.5 | 136.4 | 153.3 | -78.6 | -40.9 | 0 | 0 | 0 | 108.4 | T265 | T265-D267 VanDerWaalsContact C-N 3.3Å; T265-D267 PolarHBondContact O-N 3Å | ||
| 268 | V | 32.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 126 Ų | 126 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | trans | 135.6 | 104.8 | 148.7 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 269 | N | 30.3 | Very low | 33.4 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | 62.1 | 127.5 | 150.9 | -54.6 | -8.8 | 0 | 0 | 0 | 116 | ||||
| 270 | D | 31.6 | Very low | 32.4 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | cis | -171.8 | 159.9 | 44.9 | -125.4 | -33.2 | 0 | 0 | 0 | 110.7 | ||||
| 271 | L | 27.8 | Very low | 31 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -63.8 | 143.9 | -176 | -169.7 | 68 | 0 | 0 | 0 | 113 | ||||
| 272 | S | 29.2 | Very low | 29.9 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | 79.7 | 129.9 | 146 | 56.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 273 | T | 28.4 | Very low | 29.3 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | 91.6 | 101 | 141 | 16.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 274 | S | 28.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | 76.1 | 108.3 | 118.3 | 161.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 275 | T | 27.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 97.4 | 138.7 | 130.6 | -52.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 276 | P | 30.3 | Very low | 28.8 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | trans | -105.6 | 178.1 | -150.9 | 39.7 | -29.8 | 0 | 0 | 0 | 114.5 | ||||
| 277 | I | 28.3 | Very low | 28.7 | Very low | 147 Ų | 147 | 144.8 Ų | 144.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 88.2 | 100.9 | 164.5 | -54.3 | 162.7 | 0 | 0 | 0 | 115 | ||||
| 278 | K | 28.8 | Very low | 28.8 | Very low | 171 Ų | 171 | 146.3 Ų | 146.3 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | 162 | 134.6 | 108.9 | -112.8 | 160.5 | -176.8 | -170.5 | 0 | 111.8 | |||||
| 279 | D | 29.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 147 Ų | 147 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 66.5 | 114 | 149.9 | -48.5 | -29.4 | 0 | 0 | 0 | 117.8 | ||||
| 280 | I | 30.8 | Very low | 28.6 | Very low | 164 Ų | 164 | 148.9 Ų | 148.9 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | -175.7 | 86.7 | 123.4 | -81.9 | 145.9 | 0 | 0 | 0 | 106.7 | |||||
| 281 | E | 27.5 | Very low | 28.5 | Very low | 201 Ų | 201 | 148.3 Ų | 148.3 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 118.2 | 150.5 | -92.3 | -178.2 | 147.2 | 0 | 0 | 106.7 | ||||
| 282 | T | 28.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | trans | -152 | 131.7 | 158.2 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 283 | M | 27 | Very low | 28.9 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 85.5 | 79.1 | 179.3 | -53.8 | -137.3 | 112.1 | 0 | 0 | 115.8 | ||
| 284 | L | 26.5 | Very low | 29.2 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 94% | 0.942 | 80% | 0.798 | S | S | * | * | S | Bend | 166.5 | 52.4 | 127.9 | -87.2 | 155.9 | 0 | 0 | 0 | 111.7 | |||
| 285 | R | 25.2 | Very low | 29.3 | Very low | 237 Ų | 237 | 152.1 Ų | 152.1 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | trans | -166.6 | 101.7 | 161.7 | -156.1 | 167.8 | 179 | 158.9 | -1 | 113.1 | ||||
| 286 | S | 28.2 | Very low | 29.8 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -172.4 | 92.5 | 149.8 | 42.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 287 | T | 27 | Very low | 30 | Very low | 144 Ų | 144 | 155.4 Ų | 155.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -136 | 86.2 | 152.2 | -49.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 288 | E | 32 | Very low | 30 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -163.7 | 105.1 | 163.7 | -113.9 | 168.4 | -169.6 | 0 | 0 | 111.3 | ||||
| 289 | V | 26.2 | Very low | 30.4 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 38 | 124 | 137.3 | -158.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 290 | Q | 32 | Very low | 30.8 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | 154 | 110.7 | 127.2 | -82.1 | -168.7 | -10.2 | 0 | 0 | 109.9 | |||||
| 291 | D | 29.1 | Very low | 31.2 | Very low | 140 Ų | 140 | 151.6 Ų | 151.6 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | 84.8 | 107.4 | 80.8 | -156 | 14.8 | 0 | 0 | 0 | 113.2 | |||||
| 292 | T | 32.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | 164.9 | 124.3 | 131.3 | 32.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 293 | D | 33.3 | Very low | 32.2 | Very low | 136 Ų | 136 | 147.6 Ų | 147.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 64.6 | 109.2 | 139.7 | -56.9 | -23 | 0 | 0 | 0 | 122.7 | ||||
| 294 | N | 35.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | 159.8 | 137.1 | 126.2 | -79.3 | -43.7 | 0 | 0 | 0 | 108.4 | |||||
| 295 | L | 31.2 | Very low | 33.3 | Very low | 139 Ų | 139 | 144 Ų | 144 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | cis | 176.3 | 137.1 | -7.5 | 172.5 | 67.1 | 0 | 0 | 0 | 104.5 | ||||
| 296 | I | 36.4 | Very low | 33.7 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 68% | 0.677 | 75% | 0.747 | S | S | * | * | trans | 73.5 | 133.5 | 159.7 | -70.7 | 162 | 0 | 0 | 0 | 116.8 | ||||
| 297 | E | 34.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | cis | -162.2 | 145.8 | 11.3 | -127.1 | 171.1 | 151.5 | 0 | 0 | 109.7 | ||||
| 298 | T | 29 | Very low | 34 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | trans | 12.3 | 144.3 | 146.9 | -1.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 299 | T | 36.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | -172.8 | 151.6 | 52.6 | 2.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 300 | E | 38.9 | Very low | 34.7 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 67.2 | 139.1 | 142.9 | -69.2 | 168.7 | 177.8 | 0 | 0 | 119.8 | ||||
| 301 | E | 38.7 | Very low | 35 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | cis | -173.7 | 145.5 | 17 | -130.3 | 179.3 | 177.9 | 0 | 0 | 111.2 | ||||
| 302 | T | 38.3 | Very low | 35.3 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | trans | 58.4 | 149.5 | 144 | 41 | 0 | 0 | 0 | 0 | 123 | ||||
| 303 | D | 39.1 | Very low | 35.5 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | cis | 180 | 152.9 | -18.5 | -126.4 | 1 | 0 | 0 | 0 | 109.2 | ||||
| 304 | N | 39.6 | Very low | 35.5 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | trans | 78.8 | 113.2 | 138.9 | -63.5 | -21.1 | 0 | 0 | 0 | 122.9 | ||||
| 305 | H | 36.2 | Very low | 35.6 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | 74.4 | 146.7 | 102.9 | -78.8 | -61.3 | 0 | 0 | 0 | 115.8 | |||||
| 306 | L | 34.6 | Very low | 35.6 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | cis | -166.4 | 145.3 | 16.8 | -159.1 | 68.3 | 0 | 0 | 0 | 110.4 | ||||
| 307 | K | 30.6 | Very low | 35.6 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | trans | -26.9 | 154.3 | 156.7 | -89.9 | 173.4 | 177.5 | 179.9 | 0 | 122.6 | ||||
| 308 | T | 30.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | 101.4 | 138.5 | 127.2 | 44.1 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 309 | S | 38.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | trans | 79.1 | 147.2 | 146.8 | 73.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 310 | D | 35.7 | Very low | 36.1 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | cis | -179.8 | 158.7 | -13.1 | -106.4 | -34.3 | 0 | 0 | 0 | 107.2 | ||||
| 311 | V | 37.6 | Very low | 35.9 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | 82.9 | 108.6 | 145.3 | 174.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 312 | N | 35.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | 66.3 | 137.4 | 124.6 | -62.3 | 3.3 | 0 | 0 | 0 | 126.3 | |||||
| 313 | D | 35.2 | Very low | 35.6 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 101.4 | 117.7 | 128 | -78.9 | -20.3 | 0 | 0 | 0 | 122.2 | |||||
| 314 | L | 33.8 | Very low | 35.2 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | 109 | 118.2 | 124.6 | -134.4 | 72.3 | 0 | 0 | 0 | 120.7 | |||||
| 315 | S | 36.7 | Very low | 34.7 | Very low | 95 Ų | 95 | 137 Ų | 137 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | trans | 68.8 | 144.6 | 136.3 | 60.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 316 | T | 32.9 | Very low | 34.5 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | cis | -175.5 | 142.2 | 8.1 | 9.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 317 | S | 36.1 | Very low | 34.3 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | 159 | 106.3 | 100.4 | 159.1 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 318 | T | 35.8 | Very low | 34 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | 83 | 148.9 | 91.4 | 22.4 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 319 | P | 36.8 | Very low | 34 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | -138.5 | -176.7 | -128.3 | 35.4 | -9.8 | 0 | 0 | 0 | 116 | |||||
| 320 | I | 36.3 | Very low | 33.7 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -148.4 | 102.3 | 164.2 | -60.1 | -175.4 | 0 | 0 | 0 | 108.7 | ||||
| 321 | K | 35.7 | Very low | 33.4 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | 68.7 | 106.2 | 98.9 | -78.7 | -164.2 | 160.3 | -168.7 | 0 | 117 | |||||
| 322 | D | 36.1 | Very low | 33 | Very low | 131 Ų | 131 | 142 Ų | 142 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | 93.6 | 127.9 | 101.1 | -60 | -19.9 | 0 | 0 | 0 | 110 | |||||
| 323 | I | 33.7 | Very low | 32.7 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | -165.6 | 147.1 | 70 | -78.2 | 171.3 | 0 | 0 | 0 | 110.6 | |||||
| 324 | E | 32.4 | Very low | 32.6 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -100.1 | 154.4 | -166.9 | -117.5 | -173 | 163.4 | 0 | 0 | 114.4 | ||||
| 325 | T | 28.1 | Very low | 32.3 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 66% | 0.663 | 78% | 0.779 | S | S | * | * | trans | 76.3 | 125.9 | 130.1 | -49.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 326 | M | 31.7 | Very low | 32.4 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 146.3 | 135.3 | 135.4 | -84.5 | -150.8 | 145.9 | 0 | 0 | 109.5 | ||||
| 327 | L | 30.5 | Very low | 32.8 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -162.5 | 154.3 | 21.9 | -114.4 | 151.7 | 0 | 0 | 0 | 110 | ||||
| 328 | R | 25.1 | Very low | 32.6 | Very low | 228 Ų | 228 | 147.8 Ų | 147.8 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -76.4 | 164.5 | -178.5 | 174.7 | -179.6 | -175.8 | 160.5 | 1.5 | 113.9 | ||||
| 329 | S | 29.7 | Very low | 32.8 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 86.9 | 120.7 | 166 | 68.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 330 | T | 32.2 | Very low | 33 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | -159.6 | 134.2 | 63.9 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 331 | E | 29.1 | Very low | 33.1 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | -64.7 | 146.8 | 165.8 | -74.2 | 170.8 | 134.2 | 0 | 0 | 110.6 | ||||
| 332 | V | 30.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | 162.6 | 116.2 | 131.2 | 160 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 333 | Q | 29.4 | Very low | 33.7 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | trans | 52.8 | 100.6 | 146.2 | -63.1 | 174.9 | -26.8 | 0 | 0 | 119.7 | ||||
| 334 | D | 31.9 | Very low | 34.2 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | -179.6 | 102.5 | 106.5 | -123.6 | -14.7 | 0 | 0 | 0 | 108.8 | D336 | D334-D336 PolarHBondContact O-N 3.21Š| |||
| 335 | T | 28.6 | Very low | 34.8 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 92.3 | 173.9 | 34.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 336 | D | 37.8 | Very low | 35.4 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.1 | -13.1 | 154.3 | -87 | -27.8 | 0 | 0 | 0 | 112.9 | D334 | D334-D336 PolarHBondContact O-N 3.21Š|
| 337 | N | 40.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -99.2 | 2.5 | 177 | -73.3 | -16.6 | 0 | 0 | 0 | 115.5 | T341 | N337-T341 PolarHBondContact O-OG1 3.4Š|
| 338 | L | 33.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -83.3 | -16.5 | -173.6 | -158.8 | 69.2 | 0 | 0 | 0 | 113.6 | T342 | L338-T342 PolarHBondContact O-OG1 3.43Å |
| 339 | I | 39.3 | Very low | 37.5 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79 | -38.6 | -176.5 | -62 | 176.6 | 0 | 0 | 0 | 111.3 | T342 E343 | I339-T342 PolarHBondContact O-N 3.1Å; I339-T342 PolarHBondContact O-OG1 3.45Å; I339-E343 PolarHBondContact O-N 3.05Å |
| 340 | E | 41.1 | Very low | 38.3 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.7 | -35.5 | -178.1 | -160.2 | 169.4 | -162.6 | 0 | 0 | 112 | E343 E344 | E340-E343 PolarHBondContact O-N 2.99Å; E340-E344 PolarHBondContact O-N 3.46Å |
| 341 | T | 39.2 | Very low | 38.9 | Very low | 77 Ų | 77 | 119.5 Ų | 119.5 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.9 | -33.4 | 176.7 | -33.5 | 0 | 0 | 0 | 0 | 112.2 | N337 E343 T345 | N337-T341 PolarHBondContact O-OG1 3.4Å; T341-E343 VanDerWaalsContact C-N 3.33Å; T341-T345 WeakPolarHBondContact O-CB 3.37Å; T341-T345 PolarHBondContact O-N 3.02Å; T341-T345 PolarHBondContact O-OG1 3.45Å |
| 342 | T | 38.9 | Very low | 39.5 | Very low | 75 Ų | 75 | 113.2 Ų | 113.2 | 46% | 0.46 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.5 | -36.3 | 173.3 | 27.4 | 0 | 0 | 0 | 0 | 112.2 | L338 I339 T345 D346 | L338-T342 PolarHBondContact O-OG1 3.43Å; I339-T342 PolarHBondContact O-N 3.1Å; I339-T342 PolarHBondContact O-OG1 3.45Å; T342-T345 PolarHBondContact O-N 3.29Å; T342-D346 VanDerWaalsContact O-CB 3.27Å; T342-D346 WeakPolarHBondContact O-CB 3.34Å; T342-D346 PolarHBondContact O-N 3.17Å |
| 343 | E | 45.3 | Very low | 40.5 | Very low | 126 Ų | 126 | 111.6 Ų | 111.6 | 59% | 0.589 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.1 | -40.4 | -179.7 | -159.9 | 170.4 | -170.3 | 0 | 0 | 112.1 | I339 E340 T341 N347 | I339-E343 PolarHBondContact O-N 3.05Å; E340-E343 PolarHBondContact O-N 2.99Å; T341-E343 VanDerWaalsContact C-N 3.33Å; E343-N347 VanDerWaalsContact O-CB 3.29Å; E343-N347 WeakPolarHBondContact O-CB 3.24Å; E343-N347 PolarHBondContact O-N 3.22Å; E343-N347 PolarHBondContact O-ND2 3.27Å; E343-N347 VanDerWaalsContact O-ND2 3.12Å |
| 344 | E | 44.1 | Very low | 41.4 | Very low | 142 Ų | 142 | 111.4 Ų | 111.4 | 66% | 0.664 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.2 | -40.7 | 172.2 | -85.3 | -168 | 147.3 | 0 | 0 | 112.6 | E340 N347 H348 | E340-E344 PolarHBondContact O-N 3.46Å; E344-N347 PolarHBondContact O-N 3.34Å; E344-H348 WeakPolarHBondContact O-CB 3.26Å; E344-H348 PolarHBondContact O-N 2.78Å |
| 345 | T | 43.8 | Very low | 42.1 | Very low | 82 Ų | 82 | 105.8 Ų | 105.8 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | -179.8 | -43.5 | 0 | 0 | 0 | 0 | 111 | T341 T342 H348 L349 | T341-T345 WeakPolarHBondContact O-CB 3.37Å; T341-T345 PolarHBondContact O-N 3.02Å; T341-T345 PolarHBondContact O-OG1 3.45Å; T342-T345 PolarHBondContact O-N 3.29Å; T345-H348 PolarHBondContact O-N 3.16Å; T345-L349 WeakPolarHBondContact O-CB 3.19Å; T345-L349 PolarHBondContact O-N 2.01Å |
| 346 | D | 40.7 | Very low | 42.9 | Very low | 94 Ų | 94 | 106.5 Ų | 106.5 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 175.5 | -76.9 | -17.1 | 0 | 0 | 0 | 111.6 | T342 L349 N350 | T342-D346 VanDerWaalsContact O-CB 3.27Å; T342-D346 WeakPolarHBondContact O-CB 3.34Å; T342-D346 PolarHBondContact O-N 3.17Å; D346-L349 PolarHBondContact O-N 3.29Å; D346-N350 VanDerWaalsContact O-CB 3.32Å; D346-N350 WeakPolarHBondContact O-CB 2.98Å; D346-N350 VanDerWaalsContact O-CG 3.23Å; D346-N350 PolarHBondContact O-N 2.93Å; D346-N350 PolarHBondContact O-ND2 2.92Å |
| 347 | N | 49.1 | Very low | 43.8 | Very low | 97 Ų | 97 | 105.7 Ų | 105.7 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 175 | -75.7 | -27.4 | 0 | 0 | 0 | 112 | E343 E344 N350 M351 | E343-N347 VanDerWaalsContact O-CB 3.29Å; E343-N347 WeakPolarHBondContact O-CB 3.24Å; E343-N347 PolarHBondContact O-N 3.22Å; E343-N347 PolarHBondContact O-ND2 3.27Å; E343-N347 VanDerWaalsContact O-ND2 3.12Å; E344-N347 PolarHBondContact O-N 3.34Å; N347-N350 PolarHBondContact O-N 3.09Å; N347-M351 WeakPolarHBondContact O-CB 3.26Å; N347-M351 PolarHBondContact O-N 3.31Å |
| 348 | H | 43.7 | Very low | 44.3 | Very low | 91 Ų | 91 | 104 Ų | 104 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 176.1 | -168.8 | -101.4 | 0 | 0 | 0 | 111.5 | E133 E344 T345 N350 M351 T352 | E133-H348 IonicContact OE2-CE1 2.73Å; E344-H348 WeakPolarHBondContact O-CB 3.26Å; E344-H348 PolarHBondContact O-N 2.78Å; T345-H348 PolarHBondContact O-N 3.16Å; H348-N350 PolarHBondContact O-N 3.3Å; H348-M351 PolarHBondContact O-N 2.94Å; H348-T352 PolarHBondContact O-N 3.49Å; H348-T352 PolarHBondContact O-OG1 2.96Å; H348-T352 VanDerWaalsContact O-OG1 3.1Å |
| 349 | L | 40.4 | Very low | 45.1 | Very low | 102 Ų | 102 | 101.6 Ų | 101.6 | 53% | 0.534 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 177.9 | -156.3 | 84.5 | 0 | 0 | 0 | 111.6 | T345 D346 M351 T352 I353 | T345-L349 WeakPolarHBondContact O-CB 3.19Å; T345-L349 PolarHBondContact O-N 2.01Å; D346-L349 PolarHBondContact O-N 3.29Å; L349-M351 VanDerWaalsContact C-N 3.32Å; L349-M351 PolarHBondContact O-N 2.9Å; L349-T352 PolarHBondContact O-N 3.43Å; L349-I353 HydrophobicContact CD2-CD1 4.39Å; L349-I353 HydrophobicContact CG-CD1 4.34Å; L349-I353 VanDerWaalsContact O-CG1 3.31Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 3.02Å |
| 350 | N | 45.4 | Very low | 45.4 | Very low | 87 Ų | 87 | 103 Ų | 103 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 176.1 | -76.9 | -28.6 | 0 | 0 | 0 | 112.3 | D346 N347 H348 R354 | D346-N350 VanDerWaalsContact O-CB 3.32Å; D346-N350 WeakPolarHBondContact O-CB 2.98Å; D346-N350 VanDerWaalsContact O-CG 3.23Å; D346-N350 PolarHBondContact O-N 2.93Å; D346-N350 PolarHBondContact O-ND2 2.92Å; N347-N350 PolarHBondContact O-N 3.09Å; H348-N350 PolarHBondContact O-N 3.3Å; N350-R354 WeakPolarHBondContact O-CB 3.41Å; N350-R354 WeakPolarHBondContact O-CG 3.49Å; N350-R354 PolarHBondContact O-N 3.33Å |
| 351 | M | 45.2 | Very low | 45.8 | Very low | 85 Ų | 85 | 100.2 Ų | 100.2 | 42% | 0.419 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 175 | -163.1 | 176 | -144.7 | 0 | 0 | 111.4 | N161 N347 H348 L349 R354 T355 | N161-M351 HydrophobicContact CB-CE 3.81Å; N161-M351 HydrophobicContact CB-CG 4.39Å; N161-M351 HydrophobicContact CB-SD 3.69Å; N161-M351 WeakPolarHBondContact ND2-CE 3.19Å; N161-M351 PolarHBondContact ND2-SD 3.33Å; N161-M351 VanDerWaalsContact ND2-SD 3.36Å; N347-M351 WeakPolarHBondContact O-CB 3.26Å; N347-M351 PolarHBondContact O-N 3.31Å; H348-M351 PolarHBondContact O-N 2.94Å; L349-M351 VanDerWaalsContact C-N 3.32Å; L349-M351 PolarHBondContact O-N 2.9Å; M351-R354 WeakPolarHBondContact O-CB 3.03Å; M351-R354 PolarHBondContact O-N 3Å; M351-T355 PolarHBondContact O-N 3.46Å; M351-T355 PolarHBondContact O-OG1 2.88Å |
| 352 | T | 42.3 | Very low | 46.4 | Very low | 49 Ų | 49 | 103.2 Ų | 103.2 | 30% | 0.301 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 177.2 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | H348 L349 R354 T355 M356 | H348-T352 PolarHBondContact O-N 3.49Å; H348-T352 PolarHBondContact O-OG1 2.96Å; H348-T352 VanDerWaalsContact O-OG1 3.1Å; L349-T352 PolarHBondContact O-N 3.43Å; T352-R354 VanDerWaalsContact C-N 3.32Å; T352-R354 PolarHBondContact O-N 3.37Å; T352-T355 WeakPolarHBondContact CA-OG1 3.36Å; T352-T355 PolarHBondContact O-N 3.33Å; T352-T355 PolarHBondContact O-OG1 3.43Å; T352-M356 WeakPolarHBondContact O-CG 3.43Å; T352-M356 PolarHBondContact O-N 3.45Å; T352-M356 VanDerWaalsContact O-N 3.1Å |
| 353 | I | 51.4 | Low | 47.3 | Very low | 87 Ų | 87 | 107 Ų | 107 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 173.7 | -68.9 | 168.4 | 0 | 0 | 0 | 110.3 | L349 M356 E357 | L349-I353 HydrophobicContact CD2-CD1 4.39Å; L349-I353 HydrophobicContact CG-CD1 4.34Å; L349-I353 VanDerWaalsContact O-CG1 3.31Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 3.02Å; I353-M356 PolarHBondContact O-N 2.89Å; I353-E357 PolarHBondContact O-N 3.27Å |
| 354 | R | 47.1 | Very low | 48.3 | Very low | 175 Ų | 175 | 104.1 Ų | 104.1 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62 | -46 | 176.2 | -84.5 | -178.8 | 179.1 | 165 | 2.3 | 112.6 | N350 M351 T352 M356 E357 E358 | N350-R354 WeakPolarHBondContact O-CB 3.41Å; N350-R354 WeakPolarHBondContact O-CG 3.49Å; N350-R354 PolarHBondContact O-N 3.33Å; M351-R354 WeakPolarHBondContact O-CB 3.03Å; M351-R354 PolarHBondContact O-N 3Å; T352-R354 VanDerWaalsContact C-N 3.32Å; T352-R354 PolarHBondContact O-N 3.37Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 3.3Å; R354-E357 PolarHBondContact O-N 2.88Å; R354-E358 WeakPolarHBondContact O-CG 3.26Å; R354-E358 PolarHBondContact O-N 2.86Å |
| 355 | T | 47.6 | Very low | 49.2 | Very low | 38 Ų | 38 | 101.8 Ų | 101.8 | 23% | 0.233 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -65 | -34.7 | 179 | 50.7 | 0 | 0 | 0 | 0 | 112 | M351 T352 E358 N359 | M351-T355 PolarHBondContact O-N 3.46Å; M351-T355 PolarHBondContact O-OG1 2.88Å; T352-T355 WeakPolarHBondContact CA-OG1 3.36Å; T352-T355 PolarHBondContact O-N 3.33Å; T352-T355 PolarHBondContact O-OG1 3.43Å; T355-E358 PolarHBondContact O-N 3.14Å; T355-N359 WeakPolarHBondContact O-CB 2.99Å; T355-N359 PolarHBondContact O-N 3.46Å |
| 356 | M | 45 | Very low | 50.3 | Low | 138 Ų | 138 | 105.3 Ų | 105.3 | 68% | 0.68 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 172.3 | -72 | -167.2 | 76.5 | 0 | 0 | 112.7 | T352 I353 R354 K360 | T352-M356 WeakPolarHBondContact O-CG 3.43Å; T352-M356 PolarHBondContact O-N 3.45Å; T352-M356 VanDerWaalsContact O-N 3.1Å; I353-M356 PolarHBondContact O-N 2.89Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 3.3Å; M356-K360 PolarHBondContact O-N 3.32Å |
| 357 | E | 55.6 | Low | 51.7 | Low | 133 Ų | 133 | 107.5 Ų | 107.5 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 174.8 | -78.9 | -169.8 | 151.2 | 0 | 0 | 112.4 | I353 R354 K360 Q361 | I353-E357 PolarHBondContact O-N 3.27Å; R354-E357 PolarHBondContact O-N 2.88Å; E357-K360 WeakPolarHBondContact O-CB 3.28Å; E357-K360 PolarHBondContact O-N 3.32Å; E357-Q361 PolarHBondContact O-N 2.76Å |
| 358 | E | 51.8 | Low | 52.9 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 177.4 | -74.4 | -174.8 | 154.3 | 0 | 0 | 112.3 | K237 R354 T355 K360 Q361 H362 | K237-E358 IonicContact NZ-OE1 2.67Å; R354-E358 WeakPolarHBondContact O-CG 3.26Å; R354-E358 PolarHBondContact O-N 2.86Å; T355-E358 PolarHBondContact O-N 3.14Å; E358-K360 PolarHBondContact O-N 3.49Å; E358-Q361 PolarHBondContact O-N 2.88Å; E358-Q361 VanDerWaalsContact O-N 3.1Å; E358-H362 PolarHBondContact O-N 3.2Å |
| 359 | N | 51.3 | Low | 54.5 | Low | 77 Ų | 77 | 108.8 Ų | 108.8 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 173.8 | -93 | -37.1 | 0 | 0 | 0 | 112.1 | T355 K363 | T355-N359 WeakPolarHBondContact O-CB 2.99Å; T355-N359 PolarHBondContact O-N 3.46Å; N359-K363 WeakPolarHBondContact O-CB 3.33Å; N359-K363 PolarHBondContact O-N 2.83Å; N359-K363 VanDerWaalsContact O-N 3.11Å |
| 360 | K | 44.4 | Very low | 56.1 | Low | 165 Ų | 165 | 106.9 Ų | 106.9 | 72% | 0.717 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 174.9 | -162.5 | 177.7 | -177.3 | -179.4 | 0 | 111.6 | M356 E357 E358 S364 | M356-K360 PolarHBondContact O-N 3.32Å; E357-K360 WeakPolarHBondContact O-CB 3.28Å; E357-K360 PolarHBondContact O-N 3.32Å; E358-K360 PolarHBondContact O-N 3.49Å; K360-S364 WeakPolarHBondContact O-CB 3.15Å; K360-S364 PolarHBondContact O-N 3Å |
| 361 | Q | 48.7 | Very low | 57.6 | Low | 89 Ų | 89 | 104.4 Ų | 104.4 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 178.2 | -167.8 | 177.3 | 0.3 | 0 | 0 | 112.1 | E357 E358 S364 H365 | E357-Q361 PolarHBondContact O-N 2.76Å; E358-Q361 PolarHBondContact O-N 2.88Å; E358-Q361 VanDerWaalsContact O-N 3.1Å; Q361-S364 WeakPolarHBondContact O-CB 3.22Å; Q361-S364 PolarHBondContact O-N 3.1Å; Q361-H365 PolarHBondContact O-CD2 2.02Å; Q361-H365 PolarHBondContact O-N 2.93Å |
| 362 | H | 53.5 | Low | 59.4 | Low | 139 Ų | 139 | 104.3 Ų | 104.3 | 64% | 0.644 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 177 | -167.5 | -49.1 | 0 | 0 | 0 | 111.4 | E358 S364 H365 W366 | E358-H362 PolarHBondContact O-N 3.2Å; H362-S364 VanDerWaalsContact C-N 3.29Å; H362-S364 PolarHBondContact O-N 3.14Å; H362-H365 PolarHBondContact O-N 3.32Å; H362-W366 PolarHBondContact O-N 2.83Å |
| 363 | K | 56.4 | Low | 61.4 | Low | 155 Ų | 155 | 103.4 Ų | 103.4 | 67% | 0.674 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.4 | -40.6 | 172.2 | -84.4 | -179.5 | 177.4 | 173 | 0 | 111.9 | N359 Y367 | N359-K363 WeakPolarHBondContact O-CB 3.33Å; N359-K363 PolarHBondContact O-N 2.83Å; N359-K363 VanDerWaalsContact O-N 3.11Å; K363-Y367 WeakPolarHBondContact O-CB 3.28Å; K363-Y367 PolarHBondContact O-N 2.93Å |
| 364 | S | 66.1 | Low | 62.8 | Low | 66 Ų | 66 | 104.3 Ų | 104.3 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | K360 Q361 H362 Y367 L368 | K360-S364 WeakPolarHBondContact O-CB 3.15Å; K360-S364 PolarHBondContact O-N 3Å; Q361-S364 WeakPolarHBondContact O-CB 3.22Å; Q361-S364 PolarHBondContact O-N 3.1Å; H362-S364 VanDerWaalsContact C-N 3.29Å; H362-S364 PolarHBondContact O-N 3.14Å; S364-Y367 PolarHBondContact O-N 2.98Å; S364-L368 VanDerWaalsContact O-CB 3.3Å; S364-L368 WeakPolarHBondContact O-CB 3.35Å; S364-L368 PolarHBondContact O-N 2.75Å |
| 365 | H | 64.1 | Low | 64.7 | Low | 92 Ų | 92 | 99.4 Ų | 99.4 | 43% | 0.426 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.7 | -90.5 | -115 | 0 | 0 | 0 | 111.6 | Q361 H362 Y367 L368 Y369 | Q361-H365 PolarHBondContact O-CD2 2.02Å; Q361-H365 PolarHBondContact O-N 2.93Å; H362-H365 PolarHBondContact O-N 3.32Å; H365-Y367 VanDerWaalsContact C-N 3.34Å; H365-Y367 PolarHBondContact O-N 3.27Å; H365-L368 PolarHBondContact O-N 3.23Å; H365-Y369 HydrophobicContact CB-CD2 4.34Å; H365-Y369 AromaticContact CE1-CE2 3.98Å; H365-Y369 AromaticContact ND1-CD2 3.97Å; H365-Y369 AromaticContact ND1-CE2 3.56Å; H365-Y369 VanDerWaalsContact O-CD2 3.28Å; H365-Y369 WeakPolarHBondContact O-CD2 3.49Å; H365-Y369 PolarHBondContact O-N 3.09Å |
| 366 | W | 66.1 | Low | 66.6 | Low | 156 Ų | 156 | 99.8 Ų | 99.8 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.2 | -44.6 | 176.6 | -179.4 | 65.2 | 0 | 0 | 0 | 111.9 | H362 V370 V371 | H362-W366 PolarHBondContact O-N 2.83Å; W366-V370 VanDerWaalsContact O-CB 3.24Å; W366-V370 WeakPolarHBondContact O-CB 3.14Å; W366-V370 PolarHBondContact O-N 3.5Å; W366-V371 PolarHBondContact O-N 3.27Å |
| 367 | Y | 71.1 | Confident | 68.5 | Low | 141 Ų | 141 | 95.8 Ų | 95.8 | 55% | 0.553 | 47% | 0.471 | S | S | * | . | I | π-helix | trans | -63.6 | -44.7 | 177 | -164.8 | -95.8 | 0 | 0 | 0 | 112.3 | K363 S364 H365 V371 I372 | K363-Y367 WeakPolarHBondContact O-CB 3.28Å; K363-Y367 PolarHBondContact O-N 2.93Å; S364-Y367 PolarHBondContact O-N 2.98Å; H365-Y367 VanDerWaalsContact C-N 3.34Å; H365-Y367 PolarHBondContact O-N 3.27Å; Y367-V371 HydrophobicContact CD2-CB 3.97Å; Y367-V371 HydrophobicContact CD2-CG1 4.09Å; Y367-V371 HydrophobicContact CD2-CG2 4.01Å; Y367-V371 HydrophobicContact CE2-CB 4.23Å; Y367-V371 HydrophobicContact CE2-CG1 3.84Å; Y367-V371 HydrophobicContact CG-CB 4.34Å; Y367-V371 WeakPolarHBondContact O-CB 3.33Å; Y367-V371 PolarHBondContact O-N 3.19Å; Y367-I372 HydrophobicContact CD1-CD1 4.41Å; Y367-I372 HydrophobicContact CD1-CG1 4.3Å; Y367-I372 HydrophobicContact CE1-CD1 4.5Å; Y367-I372 HydrophobicContact CE1-CG1 4.25Å; Y367-I372 PolarHBondContact O-N 3.2Å; Y367-I372 VanDerWaalsContact O-N 3.08Å |
| 368 | L | 74.4 | Confident | 70 | Confident | 88 Ų | 88 | 94.4 Ų | 94.4 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | I | π-helix | trans | -72.3 | -36.7 | -173.3 | -156.1 | 127.3 | 0 | 0 | 0 | 113.2 | S364 H365 I372 | S364-L368 VanDerWaalsContact O-CB 3.3Å; S364-L368 WeakPolarHBondContact O-CB 3.35Å; S364-L368 PolarHBondContact O-N 2.75Å; H365-L368 PolarHBondContact O-N 3.23Å; L368-I372 HydrophobicContact CG-CD1 4.23Å |
| 369 | Y | 77.2 | Confident | 71.7 | Confident | 127 Ų | 127 | 94.8 Ų | 94.8 | 50% | 0.498 | 47% | 0.471 | S | S | . | . | I | π-helix | trans | -100.8 | -21.8 | -175 | -66.9 | -74.4 | 0 | 0 | 0 | 114.6 | H365 P373 | H365-Y369 HydrophobicContact CB-CD2 4.34Å; H365-Y369 AromaticContact CE1-CE2 3.98Å; H365-Y369 AromaticContact ND1-CD2 3.97Å; H365-Y369 AromaticContact ND1-CE2 3.56Å; H365-Y369 VanDerWaalsContact O-CD2 3.28Å; H365-Y369 WeakPolarHBondContact O-CD2 3.49Å; H365-Y369 PolarHBondContact O-N 3.09Å; Y369-P373 VanDerWaalsContact O-CG 3.32Å; Y369-P373 WeakPolarHBondContact O-CG 3.12Å |
| 370 | V | 73.7 | Confident | 73.5 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 37% | 0.37 | 48% | 0.478 | S | S | . | . | I | π-helix | trans | -106.7 | -54.1 | 179.8 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | W366 L374 | W366-V370 VanDerWaalsContact O-CB 3.24Å; W366-V370 WeakPolarHBondContact O-CB 3.14Å; W366-V370 PolarHBondContact O-N 3.5Å; V370-L374 HydrophobicContact CG1-CD1 4.26Å; V370-L374 WeakPolarHBondContact O-CB 3.29Å; V370-L374 PolarHBondContact O-N 3.2Å |
| 371 | V | 76.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 93.1 Ų | 93.1 | 22% | 0.218 | 47% | 0.469 | C | S | . | . | I | π-helix | trans | -71.8 | -47 | -172.7 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | W366 Y367 L374 V375 | W366-V371 PolarHBondContact O-N 3.27Å; Y367-V371 HydrophobicContact CD2-CB 3.97Å; Y367-V371 HydrophobicContact CD2-CG1 4.09Å; Y367-V371 HydrophobicContact CD2-CG2 4.01Å; Y367-V371 HydrophobicContact CE2-CB 4.23Å; Y367-V371 HydrophobicContact CE2-CG1 3.84Å; Y367-V371 HydrophobicContact CG-CB 4.34Å; Y367-V371 WeakPolarHBondContact O-CB 3.33Å; Y367-V371 PolarHBondContact O-N 3.19Å; V371-L374 WeakPolarHBondContact O-CB 3.32Å; V371-L374 PolarHBondContact O-N 3.47Å; V371-V375 HydrophobicContact CG1-CG2 4.27Å; V371-V375 WeakPolarHBondContact O-CG2 3.46Å; V371-V375 PolarHBondContact O-N 3.34Å |
| 372 | I | 82.8 | Confident | 77.4 | Confident | 82 Ų | 82 | 92.3 Ų | 92.3 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | -178.7 | -64.8 | 177.1 | 0 | 0 | 0 | 112.2 | Y367 L368 L374 V375 A376 | Y367-I372 HydrophobicContact CD1-CD1 4.41Å; Y367-I372 HydrophobicContact CD1-CG1 4.3Å; Y367-I372 HydrophobicContact CE1-CD1 4.5Å; Y367-I372 HydrophobicContact CE1-CG1 4.25Å; Y367-I372 PolarHBondContact O-N 3.2Å; Y367-I372 VanDerWaalsContact O-N 3.08Å; L368-I372 HydrophobicContact CG-CD1 4.23Å; I372-L374 VanDerWaalsContact C-N 3.33Å; I372-L374 PolarHBondContact O-N 2.95Å; I372-V375 PolarHBondContact O-N 3.28Å; I372-A376 WeakPolarHBondContact O-CB 3.13Å; I372-A376 PolarHBondContact O-N 2.88Å |
| 373 | P | 83.9 | Confident | 79.2 | Confident | 31 Ų | 31 | 90 Ų | 90 | 20% | 0.201 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.3 | -34.9 | 177.2 | -26.9 | 39.2 | 0 | 0 | 0 | 113.6 | F11 Y369 A376 S377 | F11-P373 HydrophobicContact CE1-CB 4.14Å; F11-P373 HydrophobicContact CZ-CB 4.05Å; Y369-P373 VanDerWaalsContact O-CG 3.32Å; Y369-P373 WeakPolarHBondContact O-CG 3.12Å; P373-A376 PolarHBondContact O-N 3.45Å; P373-S377 VanDerWaalsContact O-CB 3.31Å; P373-S377 WeakPolarHBondContact O-CB 3.19Å; P373-S377 PolarHBondContact O-N 3.23Å |
| 374 | L | 82.4 | Confident | 80.7 | Confident | 105 Ų | 105 | 84.4 Ų | 84.4 | 55% | 0.55 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 174 | -105.4 | 160.9 | 0 | 0 | 0 | 111.5 | V370 V371 I372 S377 L378 | V370-L374 HydrophobicContact CG1-CD1 4.26Å; V370-L374 WeakPolarHBondContact O-CB 3.29Å; V370-L374 PolarHBondContact O-N 3.2Å; V371-L374 WeakPolarHBondContact O-CB 3.32Å; V371-L374 PolarHBondContact O-N 3.47Å; I372-L374 VanDerWaalsContact C-N 3.33Å; I372-L374 PolarHBondContact O-N 2.95Å; L374-S377 PolarHBondContact O-N 2.92Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 3.43Å |
| 375 | V | 85.9 | Confident | 81.7 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 44% | 0.442 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | V371 I372 S377 L378 L379 | V371-V375 HydrophobicContact CG1-CG2 4.27Å; V371-V375 WeakPolarHBondContact O-CG2 3.46Å; V371-V375 PolarHBondContact O-N 3.34Å; I372-V375 PolarHBondContact O-N 3.28Å; V375-S377 VanDerWaalsContact C-N 3.35Å; V375-S377 PolarHBondContact O-N 3.45Å; V375-L378 PolarHBondContact O-N 3.01Å; V375-L379 HydrophobicContact CG1-CD1 4.16Å; V375-L379 WeakPolarHBondContact O-CG 3.38Å; V375-L379 PolarHBondContact O-N 3.34Å |
| 376 | A | 87.1 | Confident | 82.9 | Confident | 45 Ų | 45 | 85.9 Ų | 85.9 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I372 P373 L379 L380 | I372-A376 WeakPolarHBondContact O-CB 3.13Å; I372-A376 PolarHBondContact O-N 2.88Å; P373-A376 PolarHBondContact O-N 3.45Å; A376-L379 PolarHBondContact O-N 3.28Å; A376-L380 WeakPolarHBondContact O-CG 3Å; A376-L380 PolarHBondContact O-N 3.49Å |
| 377 | S | 85.4 | Confident | 84 | Confident | 55 Ų | 55 | 82.8 Ų | 82.8 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 175.6 | -174 | 0 | 0 | 0 | 0 | 111.7 | P373 L374 V375 L379 L380 I381 | P373-S377 VanDerWaalsContact O-CB 3.31Å; P373-S377 WeakPolarHBondContact O-CB 3.19Å; P373-S377 PolarHBondContact O-N 3.23Å; L374-S377 PolarHBondContact O-N 2.92Å; V375-S377 VanDerWaalsContact C-N 3.35Å; V375-S377 PolarHBondContact O-N 3.45Å; S377-L379 VanDerWaalsContact C-N 3.35Å; S377-L379 PolarHBondContact O-N 2.86Å; S377-L380 PolarHBondContact O-N 2.77Å; S377-I381 WeakPolarHBondContact O-CG1 3.42Å; S377-I381 PolarHBondContact O-N 2.79Å |
| 378 | L | 87 | Confident | 84.7 | Confident | 103 Ų | 103 | 84.5 Ų | 84.5 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 175.3 | -74 | 167.6 | 0 | 0 | 0 | 112 | L374 V375 L380 I381 C382 | L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-L378 PolarHBondContact O-N 3.43Å; V375-L378 PolarHBondContact O-N 3.01Å; L378-L380 PolarHBondContact O-N 3.25Å; L378-I381 PolarHBondContact O-N 3.48Å; L378-C382 PolarHBondContact O-N 2.9Å; L378-C382 PolarHBondContact O-SG 3.34Å |
| 379 | L | 88.6 | Confident | 85.2 | Confident | 104 Ų | 104 | 89 Ų | 89 | 55% | 0.545 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.7 | -72.4 | 171.6 | 0 | 0 | 0 | 112.2 | V375 A376 S377 C382 I383 | V375-L379 HydrophobicContact CG1-CD1 4.16Å; V375-L379 WeakPolarHBondContact O-CG 3.38Å; V375-L379 PolarHBondContact O-N 3.34Å; A376-L379 PolarHBondContact O-N 3.28Å; S377-L379 VanDerWaalsContact C-N 3.35Å; S377-L379 PolarHBondContact O-N 2.86Å; L379-C382 PolarHBondContact O-N 3.45Å; L379-I383 VanDerWaalsContact O-CG1 3.26Å; L379-I383 WeakPolarHBondContact O-CG1 3.47Å; L379-I383 PolarHBondContact O-N 2.95Å |
| 380 | L | 89.2 | Confident | 85.6 | Confident | 107 Ų | 107 | 90.3 Ų | 90.3 | 56% | 0.56 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 176.6 | -72.6 | 173.9 | 0 | 0 | 0 | 112.3 | A376 S377 L378 I383 G384 | A376-L380 WeakPolarHBondContact O-CG 3Å; A376-L380 PolarHBondContact O-N 3.49Å; S377-L380 PolarHBondContact O-N 2.77Å; L378-L380 PolarHBondContact O-N 3.25Å; L380-I383 PolarHBondContact O-N 2.81Å; L380-G384 PolarHBondContact O-N 3.09Å |
| 381 | I | 87.2 | Confident | 86.2 | Confident | 100 Ų | 100 | 91.7 Ų | 91.7 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 174.5 | -66.7 | 166.3 | 0 | 0 | 0 | 110.1 | S377 L378 I383 G384 C385 | S377-I381 WeakPolarHBondContact O-CG1 3.42Å; S377-I381 PolarHBondContact O-N 2.79Å; L378-I381 PolarHBondContact O-N 3.48Å; I381-I383 PolarHBondContact O-N 3.18Å; I381-G384 PolarHBondContact O-N 3.19Å; I381-C385 PolarHBondContact O-N 3.43Å; I381-C385 PolarHBondContact O-SG 2.95Å; I381-C385 VanDerWaalsContact O-SG 3.34Å |
| 382 | C | 87.7 | Confident | 86.3 | Confident | 72 Ų | 72 | 94.5 Ų | 94.5 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 177 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | L378 L379 G384 C385 I386 | L378-C382 PolarHBondContact O-N 2.9Å; L378-C382 PolarHBondContact O-SG 3.34Å; L379-C382 PolarHBondContact O-N 3.45Å; C382-G384 VanDerWaalsContact C-N 3.35Å; C382-G384 PolarHBondContact O-N 2.9Å; C382-C385 PolarHBondContact O-N 3.5Å; C382-I386 VanDerWaalsContact O-CG1 3.28Å; C382-I386 WeakPolarHBondContact O-CG1 3.41Å; C382-I386 PolarHBondContact O-N 3.47Å |
| 383 | I | 90.4 | Very high | 86.2 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 176.3 | -67.5 | 163.8 | 0 | 0 | 0 | 110.4 | L379 L380 I381 C385 I386 I387 | L379-I383 VanDerWaalsContact O-CG1 3.26Å; L379-I383 WeakPolarHBondContact O-CG1 3.47Å; L379-I383 PolarHBondContact O-N 2.95Å; L380-I383 PolarHBondContact O-N 2.81Å; I381-I383 PolarHBondContact O-N 3.18Å; I383-C385 PolarHBondContact O-N 3.3Å; I383-I386 PolarHBondContact O-N 2.89Å; I383-I387 HydrophobicContact CG2-CD1 3.73Å; I383-I387 HydrophobicContact CG2-CG1 4.37Å; I383-I387 WeakPolarHBondContact O-CG1 3.45Å; I383-I387 PolarHBondContact O-N 2.93Å |
| 384 | G | 87.9 | Confident | 85.9 | Confident | 38 Ų | 38 | 105.4 Ų | 105.4 | 39% | 0.392 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L380 I381 C382 I386 I387 W388 | L380-G384 PolarHBondContact O-N 3.09Å; I381-G384 PolarHBondContact O-N 3.19Å; C382-G384 VanDerWaalsContact C-N 3.35Å; C382-G384 PolarHBondContact O-N 2.9Å; G384-I386 PolarHBondContact O-N 2.89Å; G384-I387 PolarHBondContact O-N 3.43Å; G384-W388 VanDerWaalsContact O-CB 3.27Å; G384-W388 WeakPolarHBondContact O-CB 3.29Å; G384-W388 PolarHBondContact O-N 2.92Å |
| 385 | C | 87.6 | Confident | 85.6 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 48% | 0.48 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175.8 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | I381 C382 I383 R389 | I381-C385 PolarHBondContact O-N 3.43Å; I381-C385 PolarHBondContact O-SG 2.95Å; I381-C385 VanDerWaalsContact O-SG 3.34Å; C382-C385 PolarHBondContact O-N 3.5Å; I383-C385 PolarHBondContact O-N 3.3Å; C385-R389 WeakPolarHBondContact O-CB 3.23Å; C385-R389 WeakPolarHBondContact O-CG 3.32Å; C385-R389 PolarHBondContact O-N 3.03Å |
| 386 | I | 90 | Very high | 84.9 | Confident | 117 Ų | 117 | 114.1 Ų | 114.1 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -47.3 | 177.3 | -68.5 | 165.1 | 0 | 0 | 0 | 110.4 | C382 I383 G384 W388 R389 W390 | C382-I386 VanDerWaalsContact O-CG1 3.28Å; C382-I386 WeakPolarHBondContact O-CG1 3.41Å; C382-I386 PolarHBondContact O-N 3.47Å; I383-I386 PolarHBondContact O-N 2.89Å; G384-I386 PolarHBondContact O-N 2.89Å; I386-W388 VanDerWaalsContact C-N 3.34Å; I386-W388 PolarHBondContact O-N 3.38Å; I386-R389 PolarHBondContact O-N 3.37Å; I386-W390 WeakPolarHBondContact O-CB 3.23Å; I386-W390 PolarHBondContact O-N 3.18Å |
| 387 | I | 88.3 | Confident | 84 | Confident | 92 Ų | 92 | 116.4 Ų | 116.4 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.1 | -43.2 | 177.6 | -65.4 | 168.8 | 0 | 0 | 0 | 110.3 | I383 G384 R389 W390 L391 | I383-I387 HydrophobicContact CG2-CD1 3.73Å; I383-I387 HydrophobicContact CG2-CG1 4.37Å; I383-I387 WeakPolarHBondContact O-CG1 3.45Å; I383-I387 PolarHBondContact O-N 2.93Å; G384-I387 PolarHBondContact O-N 3.43Å; I387-R389 PolarHBondContact O-N 3.46Å; I387-W390 PolarHBondContact O-N 3.37Å; I387-L391 HydrophobicContact CG2-CD1 4.05Å; I387-L391 HydrophobicContact CG2-CG 4.41Å; I387-L391 WeakPolarHBondContact O-CG 3.27Å; I387-L391 PolarHBondContact O-N 3.37Å |
| 388 | W | 85.2 | Confident | 82.9 | Confident | 177 Ų | 177 | 120.2 Ų | 120.2 | 67% | 0.67 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.2 | -46.1 | 176.2 | -176.2 | -92.2 | 0 | 0 | 0 | 112.2 | G384 I386 W390 L391 L392 | G384-W388 VanDerWaalsContact O-CB 3.27Å; G384-W388 WeakPolarHBondContact O-CB 3.29Å; G384-W388 PolarHBondContact O-N 2.92Å; I386-W388 VanDerWaalsContact C-N 3.34Å; I386-W388 PolarHBondContact O-N 3.38Å; W388-W390 VanDerWaalsContact C-N 3.31Å; W388-W390 PolarHBondContact O-N 3.25Å; W388-L391 PolarHBondContact O-N 3.31Å; W388-L392 VanDerWaalsContact CD1-CD1 3.47Å; W388-L392 HydrophobicContact CG-CD1 4.47Å; W388-L392 WeakPolarHBondContact O-CB 3.27Å; W388-L392 PolarHBondContact O-N 3Å |
| 389 | R | 85.7 | Confident | 81.3 | Confident | 183 Ų | 183 | 125.5 Ų | 125.5 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.9 | -38.1 | 174.5 | -79.5 | -177.6 | 174.2 | -171.3 | 0.1 | 112.1 | C385 I386 I387 R393 | C385-R389 WeakPolarHBondContact O-CB 3.23Å; C385-R389 WeakPolarHBondContact O-CG 3.32Å; C385-R389 PolarHBondContact O-N 3.03Å; I386-R389 PolarHBondContact O-N 3.37Å; I387-R389 PolarHBondContact O-N 3.46Å; R389-R393 WeakPolarHBondContact O-CG 3.48Å; R389-R393 PolarHBondContact O-N 2.81Å; R389-R393 VanDerWaalsContact O-N 3.09Å |
| 390 | W | 86.1 | Confident | 81 | Confident | 153 Ų | 153 | 126.6 Ų | 126.6 | 58% | 0.58 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.8 | -43.3 | 177.4 | -170.6 | 80.2 | 0 | 0 | 0 | 111.9 | I386 I387 W388 R393 R394 | I386-W390 WeakPolarHBondContact O-CB 3.23Å; I386-W390 PolarHBondContact O-N 3.18Å; I387-W390 PolarHBondContact O-N 3.37Å; W388-W390 VanDerWaalsContact C-N 3.31Å; W388-W390 PolarHBondContact O-N 3.25Å; W390-R393 PolarHBondContact O-N 3.45Å; W390-R394 PolarHBondContact O-N 3.26Å |
| 391 | L | 84.7 | Confident | 80.5 | Confident | 91 Ų | 91 | 127.6 Ų | 127.6 | 48% | 0.476 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -40.2 | 175.9 | -71.3 | 173.1 | 0 | 0 | 0 | 112.6 | I387 W388 R394 K395 | I387-L391 HydrophobicContact CG2-CD1 4.05Å; I387-L391 HydrophobicContact CG2-CG 4.41Å; I387-L391 WeakPolarHBondContact O-CG 3.27Å; I387-L391 PolarHBondContact O-N 3.37Å; W388-L391 PolarHBondContact O-N 3.31Å; L391-R394 PolarHBondContact O-N 3.02Å; L391-K395 PolarHBondContact O-N 3.34Å |
| 392 | L | 79.5 | Confident | 80.2 | Confident | 95 Ų | 95 | 129.1 Ų | 129.1 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.8 | -41.8 | 174.3 | -85.3 | 169.2 | 0 | 0 | 0 | 112.3 | W388 R394 K395 R396 | W388-L392 VanDerWaalsContact CD1-CD1 3.47Å; W388-L392 HydrophobicContact CG-CD1 4.47Å; W388-L392 WeakPolarHBondContact O-CB 3.27Å; W388-L392 PolarHBondContact O-N 3Å; L392-R394 VanDerWaalsContact C-N 3.35Å; L392-K395 PolarHBondContact O-N 2.95Å; L392-R396 PolarHBondContact O-N 3.36Å |
| 393 | R | 79.9 | Confident | 79.7 | Confident | 195 Ų | 195 | 132.5 Ų | 132.5 | 74% | 0.736 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.3 | -40 | 174.8 | -76.1 | -174.2 | -169.8 | -173.9 | 3.5 | 111.8 | R389 W390 R396 S397 | R389-R393 WeakPolarHBondContact O-CG 3.48Å; R389-R393 PolarHBondContact O-N 2.81Å; R389-R393 VanDerWaalsContact O-N 3.09Å; W390-R393 PolarHBondContact O-N 3.45Å; R393-R396 PolarHBondContact O-N 3.45Å; R393-S397 PolarHBondContact O-N 3.36Å |
| 394 | R | 79.2 | Confident | 79.1 | Confident | 147 Ų | 147 | 135.1 Ų | 135.1 | 56% | 0.555 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.4 | -38.1 | 178.8 | -165.8 | 174.6 | -176.8 | 175.3 | 0.3 | 112.1 | W390 L391 L392 R396 S397 | W390-R394 PolarHBondContact O-N 3.26Å; L391-R394 PolarHBondContact O-N 3.02Å; L392-R394 VanDerWaalsContact C-N 3.35Å; R394-R396 VanDerWaalsContact C-N 3.33Å; R394-R396 PolarHBondContact O-N 3.26Å; R394-S397 PolarHBondContact O-N 3.49Å |
| 395 | K | 74.3 | Confident | 78.5 | Confident | 152 Ų | 152 | 141.5 Ų | 141.5 | 66% | 0.661 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.5 | -36.9 | 176.9 | -158.9 | 175.9 | -178.4 | -176.9 | 0 | 112.2 | L391 L392 S397 N398 | L391-K395 PolarHBondContact O-N 3.34Å; L392-K395 PolarHBondContact O-N 2.95Å; K395-S397 VanDerWaalsContact C-N 3.26Å; K395-S397 PolarHBondContact O-N 3.33Å; K395-N398 PolarHBondContact O-N 3.27Å |
| 396 | R | 71.7 | Confident | 77.8 | Confident | 209 Ų | 209 | 146.6 Ų | 146.6 | 79% | 0.789 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -10 | 177.2 | -155 | -177.2 | -80.4 | -179 | -6.8 | 114.2 | L392 R393 R394 | L392-R396 PolarHBondContact O-N 3.36Å; R393-R396 PolarHBondContact O-N 3.45Å; R394-R396 VanDerWaalsContact C-N 3.33Å; R394-R396 PolarHBondContact O-N 3.26Å |
| 397 | S | 69.4 | Low | 76.9 | Confident | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -7.9 | 175 | -173.6 | 0 | 0 | 0 | 0 | 113.2 | R393 R394 K395 | R393-S397 PolarHBondContact O-N 3.36Å; R394-S397 PolarHBondContact O-N 3.49Å; K395-S397 VanDerWaalsContact C-N 3.26Å; K395-S397 PolarHBondContact O-N 3.33Å |
| 398 | N | 61.8 | Low | 75.9 | Confident | 136 Ų | 136 | 153.6 Ų | 153.6 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -109 | 4.5 | 179.8 | -78.1 | 3.7 | 0 | 0 | 0 | 112.7 | K395 | K395-N398 PolarHBondContact O-N 3.27Š| ||
| 399 | E | 53.6 | Low | 75.1 | Confident | 213 Ų | 213 | 151.5 Ų | 151.5 | 100% | 0.995 | 67% | 0.668 | S | S | * | * | trans | -104.6 | 0 | 160.8 | -76.7 | 174.4 | 173.9 | 0 | 0 | 107.6 |
Retrieved 399 of 399 residues in 82.2 ms
(Link to these results)