| 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 | 42.3 | Very low | 63.1 | Low | 230 Ų | 230 | 134.9 Ų | 134.9 | 100% | 1.133 | 73% | 0.729 | S | S | * | * | 0 | 105.7 | 0 | -65.5 | -176.3 | -166.3 | 0 | 0 | 108.2 | F3 | M1-F3 PolarHBondContact O-N 3.17Š| |||
| 2 | S | 45.4 | Very low | 65.1 | Low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -78.1 | 106.2 | 177.3 | 43.4 | 0 | 0 | 0 | 0 | 109.2 | T4 | S2-T4 PolarHBondContact O-N 3.34Å; S2-T4 VanDerWaalsContact O-N 3.13Å | ||
| 3 | F | 53.8 | Low | 66.9 | Low | 193 Ų | 193 | 128.9 Ų | 128.9 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | trans | -63.6 | 114.6 | 171.7 | -73.5 | -85.8 | 0 | 0 | 0 | 109.1 | M1 K5 | M1-F3 PolarHBondContact O-N 3.17Å; F3-K5 PolarHBondContact O-N 3.11Å | ||
| 4 | T | 56.8 | Low | 68.4 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | trans | -63.9 | 102.4 | 170 | 45.8 | 0 | 0 | 0 | 0 | 108.1 | S2 K6 | S2-T4 PolarHBondContact O-N 3.34Å; S2-T4 VanDerWaalsContact O-N 3.13Å; T4-K6 PolarHBondContact O-N 3.18Å | ||
| 5 | K | 62.4 | Low | 69.7 | Low | 203 Ų | 203 | 124.5 Ų | 124.5 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | trans | -60.8 | 108.3 | 172.8 | -95.3 | -178.5 | 176.2 | 174.7 | 0 | 107.9 | F3 P7 | F3-K5 PolarHBondContact O-N 3.11Å; K5-P7 WeakPolarHBondContact O-CD 3.23Å; K5-P7 VanDerWaalsContact O-N 3.17Å | ||
| 6 | K | 63 | Low | 70.8 | Confident | 178 Ų | 178 | 126.1 Ų | 126.1 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | trans | -62.9 | 111 | 166.6 | -78.9 | -174.9 | 176.5 | 179.8 | 0 | 108.2 | T4 G8 G9 | T4-K6 PolarHBondContact O-N 3.18Å; K6-G8 PolarHBondContact O-N 3.11Å; K6-G9 PolarHBondContact O-N 3.2Å | ||
| 7 | P | 61.8 | Low | 71.9 | Confident | 128 Ų | 128 | 127.2 Ų | 127.2 | 83% | 0.831 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 126.9 | 176.8 | 27.2 | -31.2 | 0 | 0 | 0 | 108.7 | K5 G9 | K5-P7 WeakPolarHBondContact O-CD 3.23Å; K5-P7 VanDerWaalsContact O-N 3.17Å; P7-G9 PolarHBondContact O-N 3.46Å |
| 8 | G | 64.4 | Low | 73.1 | Confident | 44 Ų | 44 | 125.5 Ų | 125.5 | 45% | 0.454 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 81.8 | -1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | K6 K10 A11 L12 | K6-G8 PolarHBondContact O-N 3.11Å; G8-K10 PolarHBondContact O-N 3.41Å; G8-A11 PolarHBondContact O-N 2.98Å; G8-L12 PolarHBondContact O-N 3.33Å |
| 9 | G | 76.8 | Confident | 74.2 | Confident | 19 Ų | 19 | 124.3 Ų | 124.3 | 20% | 0.196 | 67% | 0.667 | C | S | . | * | H | α-helix | trans | -50.7 | -54.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K6 P7 A11 L12 D13 | K6-G9 PolarHBondContact O-N 3.2Å; P7-G9 PolarHBondContact O-N 3.46Å; G9-A11 VanDerWaalsContact C-N 3.3Å; G9-A11 PolarHBondContact O-N 3.13Å; G9-L12 PolarHBondContact O-N 2.62Å; G9-D13 PolarHBondContact O-N 3.4Å |
| 10 | K | 81.5 | Confident | 75.2 | Confident | 178 Ų | 178 | 129 Ų | 129 | 77% | 0.774 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62 | -34 | 178.3 | -66.6 | -174.4 | 176.9 | -175 | 0 | 113.8 | G8 I14 | G8-K10 PolarHBondContact O-N 3.41Å; K10-I14 WeakPolarHBondContact O-CB 3.4Å; K10-I14 VanDerWaalsContact O-CD1 3.3Å; K10-I14 WeakPolarHBondContact O-CD1 3.08Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 3.23Å; K10-I14 VanDerWaalsContact O-N 3.14Å |
| 11 | A | 86.1 | Confident | 76.2 | Confident | 58 Ų | 58 | 128.6 Ų | 128.6 | 48% | 0.479 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -71.5 | -39.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G8 G9 L15 | G8-A11 PolarHBondContact O-N 2.98Å; G9-A11 VanDerWaalsContact C-N 3.3Å; G9-A11 PolarHBondContact O-N 3.13Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.01Å; A11-L15 PolarHBondContact O-N 2.62Å |
| 12 | L | 86.8 | Confident | 78.8 | Confident | 102 Ų | 102 | 121 Ų | 121 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.5 | -40.9 | 176.1 | -66.1 | 176.1 | 0 | 0 | 0 | 111.8 | G8 G9 I14 L15 Q16 | G8-L12 PolarHBondContact O-N 3.33Å; G9-L12 PolarHBondContact O-N 2.62Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-I14 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L15 VanDerWaalsContact O-N 3.16Å; L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 3.44Å |
| 13 | D | 88.2 | Confident | 81.2 | Confident | 90 Ų | 90 | 123 Ų | 123 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62 | -37.3 | 176.5 | -62 | -20.7 | 0 | 0 | 0 | 111.5 | G9 N17 | G9-D13 PolarHBondContact O-N 3.4Å; D13-N17 PolarHBondContact O-ND2 3.38Å; D13-N17 VanDerWaalsContact O-ND2 3.12Å |
| 14 | I | 88.1 | Confident | 83.2 | Confident | 103 Ų | 103 | 118.4 Ų | 118.4 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.4 | -43.3 | 174.1 | -69.1 | 165.3 | 0 | 0 | 0 | 110.7 | K10 L12 Q16 N17 L18 | K10-I14 WeakPolarHBondContact O-CB 3.4Å; K10-I14 VanDerWaalsContact O-CD1 3.3Å; K10-I14 WeakPolarHBondContact O-CD1 3.08Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 3.23Å; K10-I14 VanDerWaalsContact O-N 3.14Å; L12-I14 VanDerWaalsContact C-N 3.28Å; L12-I14 PolarHBondContact O-N 3.28Å; I14-Q16 VanDerWaalsContact C-N 3.3Å; I14-Q16 PolarHBondContact O-N 2.9Å; I14-N17 PolarHBondContact O-N 2.74Å; I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 HydrophobicContact CG2-CG 4.46Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.03Å |
| 15 | L | 88.3 | Confident | 85 | Confident | 89 Ų | 89 | 115.1 Ų | 115.1 | 47% | 0.466 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.1 | -30.7 | -179.5 | -74.4 | 169.4 | 0 | 0 | 0 | 113.3 | A11 L12 N17 L18 | A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.01Å; A11-L15 PolarHBondContact O-N 2.62Å; L12-L15 PolarHBondContact O-N 2.92Å; L12-L15 VanDerWaalsContact O-N 3.16Å; L15-N17 PolarHBondContact O-N 2.93Å; L15-L18 HydrophobicContact CD2-CD1 4.34Å; L15-L18 PolarHBondContact O-N 3.39Å |
| 16 | Q | 87.1 | Confident | 86.6 | Confident | 150 Ų | 150 | 110.9 Ų | 110.9 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.4 | -30.7 | 176.7 | -75.4 | 176.4 | 9.7 | 0 | 0 | 113.2 | L12 I14 | L12-Q16 WeakPolarHBondContact O-CG 3.49Å; L12-Q16 PolarHBondContact O-N 3.44Å; I14-Q16 VanDerWaalsContact C-N 3.3Å; I14-Q16 PolarHBondContact O-N 2.9Å |
| 17 | N | 89.8 | Confident | 88 | Confident | 145 Ų | 145 | 113.1 Ų | 113.1 | 78% | 0.775 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -5.9 | -178.3 | -64.5 | -48.1 | 0 | 0 | 0 | 113.3 | D13 I14 L15 | D13-N17 PolarHBondContact O-ND2 3.38Å; D13-N17 VanDerWaalsContact O-ND2 3.12Å; I14-N17 PolarHBondContact O-N 2.74Å; L15-N17 PolarHBondContact O-N 2.93Å |
| 18 | L | 92.9 | Very high | 89.5 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -92.3 | 155.6 | -179.5 | -72.4 | 174.8 | 0 | 0 | 0 | 111.3 | I14 L15 | I14-L18 HydrophobicContact CG2-CD1 3.89Å; I14-L18 HydrophobicContact CG2-CG 4.46Å; I14-L18 WeakPolarHBondContact O-CG 3.35Å; I14-L18 PolarHBondContact O-N 3.03Å; L15-L18 HydrophobicContact CD2-CD1 4.34Å; L15-L18 PolarHBondContact O-N 3.39Å |
| 19 | P | 94.1 | Very high | 91 | Very high | 102 Ų | 102 | 114.8 Ų | 114.8 | 66% | 0.662 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 153 | 175.8 | 25.4 | -34.9 | 0 | 0 | 0 | 111.1 | I21 | P19-I21 PolarHBondContact O-N 2.98Š|
| 20 | R | 94.6 | Very high | 91.8 | Very high | 219 Ų | 219 | 119.1 Ų | 119.1 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 132.6 | 178.7 | -175.3 | 178.7 | -67.6 | -179 | -0.1 | 110.7 | T22 N25 | R20-T22 PolarHBondContact O-N 3.35Å; R20-N25 PolarHBondContact O-ND2 3.26Å; R20-N25 VanDerWaalsContact O-ND2 3.08Å |
| 21 | I | 95.8 | Very high | 92.2 | Very high | 120 Ų | 120 | 113.7 Ų | 113.7 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 123.8 | 171.9 | -59.1 | 173.5 | 0 | 0 | 0 | 108 | P19 L26 | P19-I21 PolarHBondContact O-N 2.98Å; I21-L26 HydrophobicContact CG2-CD2 4.23Å |
| 22 | T | 96.8 | Very high | 92.6 | Very high | 70 Ų | 70 | 115.3 Ų | 115.3 | 43% | 0.429 | 62% | 0.619 | S | S | . | * | trans | -134 | 166 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 109 | R20 A24 N25 | R20-T22 PolarHBondContact O-N 3.35Å; T22-A24 PolarHBondContact O-N 3.03Å; T22-N25 PolarHBondContact N-OD1 3.27Å; T22-N25 PolarHBondContact O-N 3.39Å; T22-N25 VanDerWaalsContact O-N 3.16Å; T22-N25 PolarHBondContact O-OD1 2.93Å | ||
| 23 | L | 96.6 | Very high | 92.8 | Very high | 163 Ų | 163 | 118.2 Ų | 118.2 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -23.9 | 176.5 | -63.4 | 176 | 0 | 0 | 0 | 112.8 | L26 | L23-L26 HydrophobicContact CD2-CD1 4.12Š|
| 24 | A | 96.1 | Very high | 92.8 | Very high | 95 Ų | 95 | 123 Ų | 123 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -26.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T22 | T22-A24 PolarHBondContact O-N 3.03Š|
| 25 | N | 94.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 122.6 Ų | 122.6 | 35% | 0.353 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | 6.8 | -176.7 | 65 | 8.7 | 0 | 0 | 0 | 114 | R20 T22 R27 | R20-N25 PolarHBondContact O-ND2 3.26Å; R20-N25 VanDerWaalsContact O-ND2 3.08Å; T22-N25 PolarHBondContact N-OD1 3.27Å; T22-N25 PolarHBondContact O-N 3.39Å; T22-N25 VanDerWaalsContact O-N 3.16Å; T22-N25 PolarHBondContact O-OD1 2.93Å; N25-R27 PolarHBondContact O-N 3.01Å |
| 26 | L | 95.2 | Very high | 92.3 | Very high | 113 Ų | 113 | 126.3 Ų | 126.3 | 59% | 0.592 | 67% | 0.671 | S | S | * | * | trans | -69.1 | 129.8 | 170.4 | -62.1 | 179.8 | 0 | 0 | 0 | 110.4 | I21 L23 | I21-L26 HydrophobicContact CG2-CD2 4.23Å; L23-L26 HydrophobicContact CD2-CD1 4.12Å | ||
| 27 | R | 92.2 | Very high | 91.9 | Very high | 225 Ų | 225 | 128.6 Ų | 128.6 | 85% | 0.849 | 68% | 0.678 | S | S | * | * | trans | -131.6 | 142.1 | 173.5 | -64.6 | -178.7 | -178.4 | 173.1 | 0.8 | 108.7 | N25 | N25-R27 PolarHBondContact O-N 3.01Š| ||
| 28 | P | 94.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 128.9 Ų | 128.9 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 153.9 | 172.1 | 31 | -35.5 | 0 | 0 | 0 | 109.8 | K33 | P28-K33 HydrophobicContact CB-CD 4.33Å; P28-K33 HydrophobicContact CB-CG 4.32Å; P28-K33 HydrophobicContact CG-CD 4.02Å; P28-K33 HydrophobicContact CG-CG 4.27Å |
| 29 | E | 95.1 | Very high | 90.7 | Very high | 137 Ų | 137 | 131.3 Ų | 131.3 | 64% | 0.64 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.8 | 173.5 | -175.5 | 63.2 | -154.2 | 0 | 0 | 109.5 | G31 T32 | E29-G31 PolarHBondContact O-N 2.81Å; E29-T32 HydrophobicContact CB-CG2 3.8Å; E29-T32 HydrophobicContact CG-CG2 4.41Å; E29-T32 WeakPolarHBondContact O-CB 3.27Å; E29-T32 WeakPolarHBondContact O-CG2 3.37Å; E29-T32 PolarHBondContact O-N 3.26Å; E29-T32 VanDerWaalsContact O-N 3.12Å; E29-T32 PolarHBondContact O-OG1 3.35Å |
| 30 | P | 93.1 | Very high | 90 | Very high | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 132.2 | -178.8 | 20.1 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 31 | G | 90.9 | Very high | 89.5 | Confident | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90 | -14.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E29 | E29-G31 PolarHBondContact O-N 2.81Š|
| 32 | T | 93.5 | Very high | 89 | Confident | 93 Ų | 93 | 124.5 Ų | 124.5 | 57% | 0.571 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | -41.5 | 173.7 | 56 | 0 | 0 | 0 | 0 | 112.1 | E29 | E29-T32 HydrophobicContact CB-CG2 3.8Å; E29-T32 HydrophobicContact CG-CG2 4.41Å; E29-T32 WeakPolarHBondContact O-CB 3.27Å; E29-T32 WeakPolarHBondContact O-CG2 3.37Å; E29-T32 PolarHBondContact O-N 3.26Å; E29-T32 VanDerWaalsContact O-N 3.12Å; E29-T32 PolarHBondContact O-OG1 3.35Å |
| 33 | K | 91.1 | Very high | 88.4 | Confident | 163 Ų | 163 | 129.6 Ų | 129.6 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -98.6 | 104 | 173 | -61.9 | -166.4 | -175.5 | -179.2 | 0 | 109.4 | P28 | P28-K33 HydrophobicContact CB-CD 4.33Å; P28-K33 HydrophobicContact CB-CG 4.32Å; P28-K33 HydrophobicContact CG-CD 4.02Å; P28-K33 HydrophobicContact CG-CG 4.27Å |
| 34 | K | 89.4 | Confident | 87.5 | Confident | 189 Ų | 189 | 130.1 Ų | 130.1 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 131.3 | 171.7 | -67.9 | -178.3 | 179.7 | 176.2 | 0 | 109 | E36 | K34-E36 PolarHBondContact O-N 2.95Š|
| 35 | A | 83.9 | Confident | 86.6 | Confident | 96 Ų | 96 | 127 Ų | 127 | 79% | 0.793 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | K37 | A35-K37 PolarHBondContact O-N 2.82Š|
| 36 | E | 80.9 | Confident | 86 | Confident | 167 Ų | 167 | 124.5 Ų | 124.5 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 125.8 | 177 | -70.7 | -177.3 | 174.7 | 0 | 0 | 110.2 | K34 K38 | K34-E36 PolarHBondContact O-N 2.95Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 2.98Å |
| 37 | K | 78.4 | Confident | 85.6 | Confident | 197 Ų | 197 | 126.3 Ų | 126.3 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | trans | -71.3 | 93.7 | 168.5 | -69.5 | -175.8 | -179.6 | -179.3 | 0 | 108.4 | A35 R39 | A35-K37 PolarHBondContact O-N 2.82Å; K37-R39 PolarHBondContact O-N 3.43Å | ||
| 38 | K | 79.6 | Confident | 85.4 | Confident | 152 Ų | 152 | 121.7 Ų | 121.7 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | trans | -68.4 | 96.6 | 174.8 | -65.2 | -174.5 | -179 | -179.5 | 0 | 109.8 | E36 | E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 PolarHBondContact O-N 2.98Å | ||
| 39 | R | 78.6 | Confident | 85.2 | Confident | 146 Ų | 146 | 119.6 Ų | 119.6 | 55% | 0.551 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 155.3 | 169.8 | -61.4 | 169 | 75.6 | 172.1 | 5.8 | 108.9 | K37 S49 G50 | K37-R39 PolarHBondContact O-N 3.43Å; R39-S49 PolarHBondContact NE-O 3.42Å; R39-S49 PolarHBondContact NH2-O 2.97Å; R39-G50 VanDerWaalsContact NH2-CA 3.29Å; R39-G50 PolarHBondContact NH2-O 3.26Å |
| 40 | G | 78.9 | Confident | 84.9 | Confident | 46 Ų | 46 | 116.2 Ų | 116.2 | 47% | 0.474 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 83.6 | 9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G45 S49 | G40-G45 PolarHBondContact N-O 3.36Å; G40-S49 VanDerWaalsContact CA-OG 3.25Å; G40-S49 WeakPolarHBondContact CA-OG 3.17Å; G40-S49 PolarHBondContact N-OG 3.43Å |
| 41 | R | 85.4 | Confident | 84.8 | Confident | 187 Ų | 187 | 118 Ų | 118 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -133.2 | 144.8 | 178.7 | -61.4 | -174.7 | -176.8 | -106.3 | 0.8 | 111.6 | G46 | R41-G46 PolarHBondContact O-N 3.22Š|
| 42 | G | 84.6 | Confident | 84.8 | Confident | 65 Ų | 65 | 116.6 Ų | 116.6 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 63 | -174.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G46 | G42-G46 WeakPolarHBondContact O-CA 3.45Å; G42-G46 PolarHBondContact O-N 3.05Å; G42-G46 VanDerWaalsContact O-N 3.07Å |
| 43 | Q | 83.2 | Confident | 84.9 | Confident | 178 Ų | 178 | 117.7 Ų | 117.7 | 83% | 0.832 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -42 | 179.6 | -175.4 | 174.7 | -13.5 | 0 | 0 | 111.8 | G45 | Q43-G45 PolarHBondContact O-N 2.9Š|
| 44 | H | 78.3 | Confident | 85.1 | Confident | 173 Ų | 173 | 116.3 Ų | 116.3 | 80% | 0.801 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 88.5 | 179.3 | -62.8 | -67.7 | 0 | 0 | 0 | 111.2 | ||
| 45 | G | 76.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 109.1 Ų | 109.1 | 30% | 0.299 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 109.5 | -0.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | G40 Q43 S49 | G40-G45 PolarHBondContact N-O 3.36Å; Q43-G45 PolarHBondContact O-N 2.9Å; G45-S49 VanDerWaalsContact O-CA 3.28Å; G45-S49 WeakPolarHBondContact O-CA 3.24Å; G45-S49 PolarHBondContact O-OG 3.36Å |
| 46 | G | 82.9 | Confident | 85.9 | Confident | 14 Ų | 14 | 109.6 Ų | 109.6 | 14% | 0.144 | 56% | 0.564 | C | S | . | * | S | Bend | trans | -72 | -84.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R41 G42 S49 | R41-G46 PolarHBondContact O-N 3.22Å; G42-G46 WeakPolarHBondContact O-CA 3.45Å; G42-G46 PolarHBondContact O-N 3.05Å; G42-G46 VanDerWaalsContact O-N 3.07Å; G46-S49 WeakPolarHBondContact O-CA 3.33Å; G46-S49 PolarHBondContact O-N 3.31Å; G46-S49 PolarHBondContact O-OG 3.3Å |
| 47 | N | 87.1 | Confident | 86.5 | Confident | 152 Ų | 152 | 110.2 Ų | 110.2 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -27.9 | -91.1 | -171.9 | -176.2 | -10.4 | 0 | 0 | 0 | 115.6 | S49 | N47-S49 PolarHBondContact O-N 3.22Š|
| 48 | R | 88.1 | Confident | 87.3 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.3 | 179.2 | -65.2 | 178.4 | -176.2 | 177.1 | 0.1 | 112.5 | G50 R51 G52 | R48-G50 PolarHBondContact O-N 3.33Å; R48-R51 WeakPolarHBondContact O-CB 3.34Å; R48-R51 PolarHBondContact O-N 2.94Å; R48-G52 WeakPolarHBondContact CD-O 3.33Å |
| 49 | S | 89.1 | Confident | 88 | Confident | 27 Ų | 27 | 106 Ų | 106 | 19% | 0.189 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.8 | 32.8 | -174.5 | -69.3 | 0 | 0 | 0 | 0 | 113.7 | R39 G40 G45 G46 N47 R51 | R39-S49 PolarHBondContact NE-O 3.42Å; R39-S49 PolarHBondContact NH2-O 2.97Å; G40-S49 VanDerWaalsContact CA-OG 3.25Å; G40-S49 WeakPolarHBondContact CA-OG 3.17Å; G40-S49 PolarHBondContact N-OG 3.43Å; G45-S49 VanDerWaalsContact O-CA 3.28Å; G45-S49 WeakPolarHBondContact O-CA 3.24Å; G45-S49 PolarHBondContact O-OG 3.36Å; G46-S49 WeakPolarHBondContact O-CA 3.33Å; G46-S49 PolarHBondContact O-N 3.31Å; G46-S49 PolarHBondContact O-OG 3.3Å; N47-S49 PolarHBondContact O-N 3.22Å; S49-R51 VanDerWaalsContact C-N 3.29Å; S49-R51 PolarHBondContact O-N 3.18Å |
| 50 | G | 89 | Confident | 88.8 | Confident | 65 Ų | 65 | 101.6 Ų | 101.6 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 15.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R39 R48 | R39-G50 VanDerWaalsContact NH2-CA 3.29Å; R39-G50 PolarHBondContact NH2-O 3.26Å; R48-G50 PolarHBondContact O-N 3.33Å |
| 51 | R | 90.7 | Very high | 89.6 | Confident | 150 Ų | 150 | 104.9 Ų | 104.9 | 57% | 0.566 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -94.4 | -8.5 | -179.8 | -59.4 | -170.4 | 178.4 | -151.7 | 1 | 114 | R48 S49 Q58 | R48-R51 WeakPolarHBondContact O-CB 3.34Å; R48-R51 PolarHBondContact O-N 2.94Å; S49-R51 VanDerWaalsContact C-N 3.29Å; S49-R51 PolarHBondContact O-N 3.18Å; R51-Q58 HydrophobicContact CB-CG 4.36Å |
| 52 | G | 91.9 | Very high | 90.1 | Very high | 32 Ų | 32 | 103.3 Ų | 103.3 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | trans | 87 | -161.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R48 | R48-G52 WeakPolarHBondContact CD-O 3.33Š| ||
| 53 | H | 95.1 | Very high | 90.7 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -120.9 | 124.2 | -175.7 | -175.7 | -90.3 | 0 | 0 | 0 | 111.9 | ||
| 54 | K | 94.8 | Very high | 91.3 | Very high | 134 Ų | 134 | 101.8 Ų | 101.8 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 48.6 | -170 | -179.3 | -65.5 | -178.3 | -177.1 | -179.1 | 0 | 112.9 | Q58 | K54-Q58 VanDerWaalsContact O-CB 3.31Å; K54-Q58 WeakPolarHBondContact O-CB 3.35Å |
| 55 | G | 95.6 | Very high | 92.2 | Very high | 39 Ų | 39 | 102 Ų | 102 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | 65.1 | -172.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R57 Q58 R59 | G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 2.83Å; G55-Q58 PolarHBondContact O-N 2.78Å; G55-R59 WeakPolarHBondContact O-CG 3.38Å; G55-R59 PolarHBondContact O-N 2.91Å |
| 56 | E | 95.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -31.6 | -175.4 | -65.7 | 174.4 | 167.9 | 0 | 0 | 112.8 | Q58 R59 G60 N61 R62 P63 | E56-Q58 PolarHBondContact O-N 3.24Å; E56-R59 PolarHBondContact O-N 3.41Å; E56-G60 PolarHBondContact O-N 3.18Å; E56-N61 PolarHBondContact O-N 3.28Å; E56-R62 HydrophobicContact CB-CG 4.5Å; E56-P63 VanDerWaalsContact OE2-CD 3.27Å; E56-P63 WeakPolarHBondContact OE2-CD 3.08Å |
| 57 | R | 93.9 | Very high | 93.7 | Very high | 180 Ų | 180 | 105.6 Ų | 105.6 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 178.5 | -58 | -168.2 | 163.9 | -172.6 | -1.5 | 112 | G55 R62 | G55-R57 VanDerWaalsContact C-N 3.28Å; G55-R57 PolarHBondContact O-N 2.83Å; R57-R62 VanDerWaalsContact CG-NH2 3.35Å |
| 58 | Q | 94.8 | Very high | 94.2 | Very high | 74 Ų | 74 | 102 Ų | 102 | 35% | 0.346 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -76.2 | -41.9 | 178.7 | -170 | -174.4 | 14.9 | 0 | 0 | 111.7 | R51 K54 G55 E56 G60 | R51-Q58 HydrophobicContact CB-CG 4.36Å; K54-Q58 VanDerWaalsContact O-CB 3.31Å; K54-Q58 WeakPolarHBondContact O-CB 3.35Å; G55-Q58 PolarHBondContact O-N 2.78Å; E56-Q58 PolarHBondContact O-N 3.24Å; Q58-G60 VanDerWaalsContact C-N 3.28Å; Q58-G60 PolarHBondContact O-N 2.87Å |
| 59 | R | 94.9 | Very high | 94.5 | Very high | 185 Ų | 185 | 99.1 Ų | 99.1 | 70% | 0.698 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.1 | -15.4 | -176.8 | -64.9 | 176.8 | -178 | 170.2 | -0.6 | 113.4 | G55 E56 N61 | G55-R59 WeakPolarHBondContact O-CG 3.38Å; G55-R59 PolarHBondContact O-N 2.91Å; E56-R59 PolarHBondContact O-N 3.41Å; R59-N61 VanDerWaalsContact C-N 3.32Å; R59-N61 PolarHBondContact O-OD1 3.15Å |
| 60 | G | 94.7 | Very high | 94.8 | Very high | 55 Ų | 55 | 100.8 Ų | 100.8 | 57% | 0.567 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 9.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E56 Q58 R62 | E56-G60 PolarHBondContact O-N 3.18Å; Q58-G60 VanDerWaalsContact C-N 3.28Å; Q58-G60 PolarHBondContact O-N 2.87Å; G60-R62 VanDerWaalsContact C-N 3.35Å; G60-R62 PolarHBondContact O-N 3.02Å |
| 61 | N | 95.7 | Very high | 95.2 | Very high | 115 Ų | 115 | 103.7 Ų | 103.7 | 62% | 0.615 | 54% | 0.536 | S | S | * | . | trans | -101 | 43.5 | -174 | -65.2 | -1.9 | 0 | 0 | 0 | 111.1 | E56 R59 | E56-N61 PolarHBondContact O-N 3.28Å; R59-N61 VanDerWaalsContact C-N 3.32Å; R59-N61 PolarHBondContact O-OD1 3.15Å | ||
| 62 | R | 96 | Very high | 95.4 | Very high | 154 Ų | 154 | 101.8 Ų | 101.8 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 146.3 | 175.4 | -82.7 | -176.1 | 169.8 | 146.1 | -3 | 109.9 | E56 R57 G60 | E56-R62 HydrophobicContact CB-CG 4.5Å; R57-R62 VanDerWaalsContact CG-NH2 3.35Å; G60-R62 VanDerWaalsContact C-N 3.35Å; G60-R62 PolarHBondContact O-N 3.02Å |
| 63 | P | 96.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 100.9 Ų | 100.9 | 37% | 0.37 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -57 | 161.2 | 168.5 | -26.1 | 35.2 | 0 | 0 | 0 | 112.2 | E56 F67 | E56-P63 VanDerWaalsContact OE2-CD 3.27Å; E56-P63 WeakPolarHBondContact OE2-CD 3.08Å; P63-F67 HydrophobicContact CB-CB 3.7Å; P63-F67 HydrophobicContact CB-CD1 3.24Å; P63-F67 HydrophobicContact CB-CE1 3.96Å; P63-F67 HydrophobicContact CB-CG 3.6Å; P63-F67 HydrophobicContact CG-CD1 3.5Å; P63-F67 HydrophobicContact CG-CE1 3.8Å; P63-F67 HydrophobicContact CG-CG 4.34Å |
| 64 | R | 96.1 | Very high | 95.8 | Very high | 153 Ų | 153 | 102 Ų | 102 | 58% | 0.577 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 154.9 | 178.2 | 68.4 | -179.8 | -173.3 | -84.8 | -2.1 | 112.2 | G66 F67 Y75 | R64-G66 PolarHBondContact O-N 3.16Å; R64-F67 HydrophobicContact CG-CB 4.29Å; R64-F67 VanDerWaalsContact O-CB 3.31Å; R64-F67 WeakPolarHBondContact O-CB 3.48Å; R64-F67 PolarHBondContact O-N 3.01Å; R64-F67 VanDerWaalsContact O-N 3.11Å; R64-Y75 PolarHBondContact NH2-OH 3.19Å |
| 65 | L | 97 | Very high | 95.9 | Very high | 177 Ų | 177 | 101.2 Ų | 101.2 | 93% | 0.927 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 133.4 | 170.9 | -177.8 | 64.3 | 0 | 0 | 0 | 110.1 | ||
| 66 | G | 95.6 | Very high | 96 | Very high | 31 Ų | 31 | 104.6 Ų | 104.6 | 32% | 0.32 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 4.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | R64 P73 | R64-G66 PolarHBondContact O-N 3.16Å; G66-P73 WeakPolarHBondContact O-CB 3.31Å |
| 67 | F | 97.1 | Very high | 96 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 39% | 0.386 | 54% | 0.538 | S | S | . | . | trans | -83.1 | 125.6 | 170.5 | -176.5 | -103.4 | 0 | 0 | 0 | 111.5 | P63 R64 G69 | P63-F67 HydrophobicContact CB-CB 3.7Å; P63-F67 HydrophobicContact CB-CD1 3.24Å; P63-F67 HydrophobicContact CB-CE1 3.96Å; P63-F67 HydrophobicContact CB-CG 3.6Å; P63-F67 HydrophobicContact CG-CD1 3.5Å; P63-F67 HydrophobicContact CG-CE1 3.8Å; P63-F67 HydrophobicContact CG-CG 4.34Å; R64-F67 HydrophobicContact CG-CB 4.29Å; R64-F67 VanDerWaalsContact O-CB 3.31Å; R64-F67 WeakPolarHBondContact O-CB 3.48Å; R64-F67 PolarHBondContact O-N 3.01Å; R64-F67 VanDerWaalsContact O-N 3.11Å; F67-G69 VanDerWaalsContact CE1-CA 3.45Å | ||
| 68 | E | 96.6 | Very high | 96.2 | Very high | 77 Ų | 77 | 98.2 Ų | 98.2 | 36% | 0.36 | 53% | 0.527 | S | S | . | . | trans | -107.1 | 25.7 | -173.7 | -66.5 | 177.7 | -166.7 | 0 | 0 | 113.4 | Q71 F74 | E68-Q71 HydrophobicContact CB-CG 3.69Å; E68-Q71 PolarHBondContact OE2-NE2 3.19Å; E68-F74 VanDerWaalsContact OE1-CB 3.29Å; E68-F74 WeakPolarHBondContact OE1-CB 3.36Å; E68-F74 PolarHBondContact OE1-N 3.45Å | ||
| 69 | G | 94.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 100 Ų | 100 | 68% | 0.68 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 7.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | F67 | F67-G69 VanDerWaalsContact CE1-CA 3.45Š|
| 70 | G | 95 | Very high | 96.4 | Very high | 62 Ų | 62 | 101.3 Ų | 101.3 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.1 | -21.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 71 | Q | 96.9 | Very high | 96.5 | Very high | 126 Ų | 126 | 107 Ų | 107 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -70.9 | 163.7 | 171.2 | 71.5 | -175.1 | 21.6 | 0 | 0 | 111.8 | E68 P73 | E68-Q71 HydrophobicContact CB-CG 3.69Å; E68-Q71 PolarHBondContact OE2-NE2 3.19Å; Q71-P73 WeakPolarHBondContact O-CD 3.4Å |
| 72 | T | 96.7 | Very high | 96.6 | Very high | 111 Ų | 111 | 103.1 Ų | 103.1 | 68% | 0.681 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -58 | 117.2 | 171.2 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 73 | P | 97.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 103.6 Ų | 103.6 | 8% | 0.078 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -59.5 | 148.8 | 179 | -27.1 | 35.8 | 0 | 0 | 0 | 113.7 | G66 Q71 Y75 L76 A77 | G66-P73 WeakPolarHBondContact O-CB 3.31Å; Q71-P73 WeakPolarHBondContact O-CD 3.4Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 HydrophobicContact CB-CD1 3.61Å; P73-Y75 HydrophobicContact CB-CE1 3.37Å; P73-Y75 HydrophobicContact CG-CE1 3.96Å; P73-Y75 PolarHBondContact O-N 3.18Å; P73-L76 HydrophobicContact CG-CD1 4.29Å; P73-L76 PolarHBondContact O-N 2.87Å; P73-A77 PolarHBondContact O-N 3.15Å |
| 74 | F | 97.6 | Very high | 96.6 | Very high | 140 Ų | 140 | 106.5 Ų | 106.5 | 61% | 0.614 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -52.1 | -42.8 | 178 | 176.4 | -104.7 | 0 | 0 | 0 | 114.1 | E68 L76 A77 I78 | E68-F74 VanDerWaalsContact OE1-CB 3.29Å; E68-F74 WeakPolarHBondContact OE1-CB 3.36Å; E68-F74 PolarHBondContact OE1-N 3.45Å; F74-L76 PolarHBondContact O-N 2.86Å; F74-L76 VanDerWaalsContact O-N 3.16Å; F74-A77 PolarHBondContact O-N 3.19Å; F74-A77 VanDerWaalsContact O-N 3.13Å; F74-I78 HydrophobicContact CD1-CD1 4.21Å; F74-I78 HydrophobicContact CE1-CD1 3.55Å; F74-I78 HydrophobicContact CE2-CD1 4.03Å; F74-I78 HydrophobicContact CE2-CG1 4.37Å; F74-I78 HydrophobicContact CZ-CD1 3.47Å; F74-I78 VanDerWaalsContact CZ-CD1 3.47Å; F74-I78 HydrophobicContact CZ-CG1 4.29Å; F74-I78 PolarHBondContact O-N 3.33Å |
| 75 | Y | 96.6 | Very high | 96.7 | Very high | 117 Ų | 117 | 106.5 Ų | 106.5 | 46% | 0.459 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.1 | -11.9 | -179.7 | 74.7 | -90.5 | 0 | 0 | 0 | 114 | R64 P73 | R64-Y75 PolarHBondContact NH2-OH 3.19Å; P73-Y75 VanDerWaalsContact C-N 3.3Å; P73-Y75 HydrophobicContact CB-CD1 3.61Å; P73-Y75 HydrophobicContact CB-CE1 3.37Å; P73-Y75 HydrophobicContact CG-CE1 3.96Å; P73-Y75 PolarHBondContact O-N 3.18Å |
| 76 | L | 96.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 99.7 Ų | 99.7 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -101.2 | -24.8 | 172.1 | -66.4 | 179.9 | 0 | 0 | 0 | 112.4 | P73 F74 I78 | P73-L76 HydrophobicContact CG-CD1 4.29Å; P73-L76 PolarHBondContact O-N 2.87Å; F74-L76 PolarHBondContact O-N 2.86Å; F74-L76 VanDerWaalsContact O-N 3.16Å; L76-I78 VanDerWaalsContact C-N 3.28Å |
| 77 | A | 96.6 | Very high | 96.7 | Very high | 67 Ų | 67 | 103 Ų | 103 | 55% | 0.554 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.3 | -30.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | P73 F74 | P73-A77 PolarHBondContact O-N 3.15Å; F74-A77 PolarHBondContact O-N 3.19Å; F74-A77 VanDerWaalsContact O-N 3.13Å |
| 78 | I | 96.7 | Very high | 96.6 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -75.9 | 128.7 | 176.1 | -60.3 | 172.3 | 0 | 0 | 0 | 109.7 | F74 L76 | F74-I78 HydrophobicContact CD1-CD1 4.21Å; F74-I78 HydrophobicContact CE1-CD1 3.55Å; F74-I78 HydrophobicContact CE2-CD1 4.03Å; F74-I78 HydrophobicContact CE2-CG1 4.37Å; F74-I78 HydrophobicContact CZ-CD1 3.47Å; F74-I78 VanDerWaalsContact CZ-CD1 3.47Å; F74-I78 HydrophobicContact CZ-CG1 4.29Å; F74-I78 PolarHBondContact O-N 3.33Å; L76-I78 VanDerWaalsContact C-N 3.28Å |
| 79 | P | 97.6 | Very high | 96.4 | Very high | 112 Ų | 112 | 108.3 Ų | 108.3 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 149 | 176.2 | 28.1 | -34.9 | 0 | 0 | 0 | 111.6 | ||
| 80 | K | 97.4 | Very high | 96.4 | Very high | 212 Ų | 212 | 111.2 Ų | 111.2 | 92% | 0.922 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 132.1 | 174.2 | -67 | -178.5 | -178.1 | 176.6 | 0 | 109.7 | ||
| 81 | Y | 97.4 | Very high | 96.5 | Very high | 173 Ų | 173 | 110.3 Ų | 110.3 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | trans | -133.9 | 150.5 | 171.9 | -173.3 | -97.4 | 0 | 0 | 0 | 109.4 | Y83 | Y81-Y83 AromaticContact CD1-CD1 3.62Å; Y81-Y83 HydrophobicContact CD1-CD1 3.62Å; Y81-Y83 AromaticContact CD1-CD2 3.98Å; Y81-Y83 HydrophobicContact CD1-CD2 3.98Å; Y81-Y83 AromaticContact CD1-CE1 3.5Å; Y81-Y83 HydrophobicContact CD1-CE1 3.5Å; Y81-Y83 AromaticContact CD1-CE2 3.9Å; Y81-Y83 HydrophobicContact CD1-CE2 3.9Å; Y81-Y83 AromaticContact CD1-CG 3.85Å; Y81-Y83 HydrophobicContact CD1-CG 3.85Å; Y81-Y83 AromaticContact CD1-CZ 3.64Å; Y81-Y83 HydrophobicContact CE1-CD1 4.15Å; Y81-Y83 HydrophobicContact CE1-CE1 4.03Å; Y81-Y83 HydrophobicContact CG-CD2 4.45Å; Y81-Y83 HydrophobicContact CG-CE1 4.4Å; Y81-Y83 HydrophobicContact CG-CE2 4.15Å; Y81-Y83 PolarHBondContact O-N 3.47Å | ||
| 82 | G | 97 | Very high | 96.5 | Very high | 35 Ų | 35 | 109 Ų | 109 | 36% | 0.361 | 54% | 0.544 | S | S | . | . | trans | -71.1 | 34.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | N84 E85 | G82-N84 VanDerWaalsContact C-N 3.26Å; G82-N84 PolarHBondContact O-N 2.96Å; G82-E85 WeakPolarHBondContact O-CB 3.13Å; G82-E85 PolarHBondContact O-N 3.43Å | ||
| 83 | Y | 96.3 | Very high | 96.5 | Very high | 164 Ų | 164 | 105 Ų | 105 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -45.3 | -175.8 | -67.4 | -66.4 | 0 | 0 | 0 | 112.9 | Y81 R90 | Y81-Y83 AromaticContact CD1-CD1 3.62Å; Y81-Y83 HydrophobicContact CD1-CD1 3.62Å; Y81-Y83 AromaticContact CD1-CD2 3.98Å; Y81-Y83 HydrophobicContact CD1-CD2 3.98Å; Y81-Y83 AromaticContact CD1-CE1 3.5Å; Y81-Y83 HydrophobicContact CD1-CE1 3.5Å; Y81-Y83 AromaticContact CD1-CE2 3.9Å; Y81-Y83 HydrophobicContact CD1-CE2 3.9Å; Y81-Y83 AromaticContact CD1-CG 3.85Å; Y81-Y83 HydrophobicContact CD1-CG 3.85Å; Y81-Y83 AromaticContact CD1-CZ 3.64Å; Y81-Y83 HydrophobicContact CE1-CD1 4.15Å; Y81-Y83 HydrophobicContact CE1-CE1 4.03Å; Y81-Y83 HydrophobicContact CG-CD2 4.45Å; Y81-Y83 HydrophobicContact CG-CE1 4.4Å; Y81-Y83 HydrophobicContact CG-CE2 4.15Å; Y81-Y83 PolarHBondContact O-N 3.47Å; Y83-R90 PolarHBondContact O-NH2 3.37Å |
| 84 | N | 96.8 | Very high | 96.5 | Very high | 117 Ų | 117 | 108.3 Ų | 108.3 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 13 | -179.1 | -63 | -32.8 | 0 | 0 | 0 | 112.7 | G82 G86 H87 | G82-N84 VanDerWaalsContact C-N 3.26Å; G82-N84 PolarHBondContact O-N 2.96Å; N84-G86 PolarHBondContact O-N 3.44Å; N84-H87 HydrophobicContact CB-CB 4.4Å; N84-H87 VanDerWaalsContact O-CB 3.3Å; N84-H87 WeakPolarHBondContact O-CB 3.3Å; N84-H87 PolarHBondContact O-CD2 2.79Å; N84-H87 PolarHBondContact O-N 3.46Å |
| 85 | E | 97.3 | Very high | 96.5 | Very high | 153 Ų | 153 | 104.7 Ų | 104.7 | 72% | 0.715 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 129.1 | 179.3 | -172.5 | 169.9 | -173.1 | 0 | 0 | 110.5 | G82 H87 R90 | G82-E85 WeakPolarHBondContact O-CB 3.13Å; G82-E85 PolarHBondContact O-N 3.43Å; E85-H87 PolarHBondContact O-N 2.98Å; E85-H87 VanDerWaalsContact O-N 3.12Å; E85-R90 PolarHBondContact O-NE 2.95Å; E85-R90 PolarHBondContact O-NH2 3.08Å |
| 86 | G | 95.9 | Very high | 96.6 | Very high | 35 Ų | 35 | 99.2 Ų | 99.2 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 8.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | N84 S88 R89 R90 | N84-G86 PolarHBondContact O-N 3.44Å; G86-S88 WeakPolarHBondContact O-CA 3.23Å; G86-S88 PolarHBondContact O-N 2.89Å; G86-R89 PolarHBondContact O-N 3.27Å; G86-R90 WeakPolarHBondContact O-CG 3.34Å; G86-R90 PolarHBondContact O-N 3.34Å |
| 87 | H | 96 | Very high | 96.7 | Very high | 101 Ų | 101 | 95.3 Ų | 95.3 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -33.6 | 172.7 | 82.9 | 104.5 | 0 | 0 | 0 | 111.3 | N84 E85 R89 R134 | N84-H87 HydrophobicContact CB-CB 4.4Å; N84-H87 VanDerWaalsContact O-CB 3.3Å; N84-H87 WeakPolarHBondContact O-CB 3.3Å; N84-H87 PolarHBondContact O-CD2 2.79Å; N84-H87 PolarHBondContact O-N 3.46Å; E85-H87 PolarHBondContact O-N 2.98Å; E85-H87 VanDerWaalsContact O-N 3.12Å; H87-R89 PolarHBondContact O-N 3.37Å; H87-R89 VanDerWaalsContact O-N 3.15Å; H87-R134 PolarHBondContact O-NH1 2.94Å |
| 88 | S | 95.1 | Very high | 96.8 | Very high | 57 Ų | 57 | 92.1 Ų | 92.1 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -0.2 | -58.9 | 140.6 | 86.9 | 0 | 0 | 0 | 0 | 121.6 | G86 R134 | G86-S88 WeakPolarHBondContact O-CA 3.23Å; G86-S88 PolarHBondContact O-N 2.89Å; S88-R134 VanDerWaalsContact CA-CZ 3.4Å; S88-R134 WeakPolarHBondContact O-CD 3.18Å; S88-R134 PolarHBondContact O-NE 2.99Å; S88-R134 PolarHBondContact O-NH1 3.2Å; S88-R134 PolarHBondContact O-NH2 2.91Å |
| 89 | R | 93.6 | Very high | 96.8 | Very high | 218 Ų | 218 | 91 Ų | 91 | 82% | 0.823 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | -12.7 | -152.9 | -60.9 | 178.3 | -178.2 | 167.8 | -0.8 | 110.9 | G86 H87 A91 | G86-R89 PolarHBondContact O-N 3.27Å; H87-R89 PolarHBondContact O-N 3.37Å; H87-R89 VanDerWaalsContact O-N 3.15Å; R89-A91 PolarHBondContact O-N 3.47Å |
| 90 | R | 94.9 | Very high | 96.8 | Very high | 128 Ų | 128 | 89.6 Ų | 89.6 | 48% | 0.483 | 43% | 0.429 | S | S | . | . | trans | -59.7 | 123.5 | 176.5 | -64.4 | 176.8 | -163.8 | 177.5 | 2 | 109.2 | Y83 E85 G86 | Y83-R90 PolarHBondContact O-NH2 3.37Å; E85-R90 PolarHBondContact O-NE 2.95Å; E85-R90 PolarHBondContact O-NH2 3.08Å; G86-R90 WeakPolarHBondContact O-CG 3.34Å; G86-R90 PolarHBondContact O-N 3.34Å | ||
| 91 | A | 95.1 | Very high | 96.8 | Very high | 42 Ų | 42 | 79.5 Ų | 79.5 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | trans | -69.1 | 134.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | R89 Y93 Y136 | R89-A91 PolarHBondContact O-N 3.47Å; A91-Y93 HydrophobicContact CB-CE2 4.13Å; A91-Y136 HydrophobicContact CB-CD2 3.37Å; A91-Y136 HydrophobicContact CB-CE2 3.76Å; A91-Y136 HydrophobicContact CB-CG 3.95Å | ||
| 92 | Q | 97.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 72.6 Ų | 72.6 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.3 | 175.7 | -59.6 | -172.6 | 12 | 0 | 0 | 109.9 | R134 D135 Y136 | Q92-R134 PolarHBondContact N-O 3.22Å; Q92-D135 CarbonylContact O-C 3.53Å; Q92-D135 VanDerWaalsContact O-CA 3.3Å; Q92-D135 WeakPolarHBondContact O-CA 3.05Å; Q92-Y136 PolarHBondContact O-N 3.05Å |
| 93 | Y | 97.8 | Very high | 96.9 | Very high | 27 Ų | 27 | 76.5 Ų | 76.5 | 11% | 0.106 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.4 | 177.5 | -60.7 | -81.7 | 0 | 0 | 0 | 109.2 | A91 G137 Q139 Q157 M158 | A91-Y93 HydrophobicContact CB-CE2 4.13Å; Y93-G137 WeakPolarHBondContact CA-O 3.31Å; Y93-Q139 PolarHBondContact O-NE2 3.33Å; Y93-Q157 HydrophobicContact CD1-CB 3.88Å; Y93-Q157 HydrophobicContact CE1-CB 3.61Å; Y93-Q157 HydrophobicContact CE1-CG 4.27Å; Y93-M158 HydrophobicContact CD1-CG 4.39Å; Y93-M158 HydrophobicContact CD2-CG 4.18Å; Y93-M158 HydrophobicContact CD2-SD 3.77Å; Y93-M158 HydrophobicContact CE1-CG 4.23Å; Y93-M158 HydrophobicContact CE2-CG 4.01Å; Y93-M158 HydrophobicContact CE2-SD 3.54Å; Y93-M158 VanDerWaalsContact CE2-SD 3.54Å; Y93-M158 HydrophobicContact CG-CG 4.37Å; Y93-M158 HydrophobicContact CG-SD 4.48Å |
| 94 | Q | 97.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 38% | 0.383 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 128.3 | 177.9 | -174.3 | 60.8 | 19.5 | 0 | 0 | 109.3 | L96 G137 V138 Q139 | Q94-L96 PolarHBondContact O-N 3.19Å; Q94-G137 PolarHBondContact N-O 2.69Å; Q94-V138 VanDerWaalsContact O-CA 3.29Å; Q94-V138 WeakPolarHBondContact O-CA 2.68Å; Q94-V138 WeakPolarHBondContact O-CG1 3.39Å; Q94-Q139 PolarHBondContact O-N 3.43Å |
| 95 | P | 97.9 | Very high | 97 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 41% | 0.409 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133.8 | 177.2 | 26.7 | -35 | 0 | 0 | 0 | 111.7 | Q139 V141 | P95-Q139 CarbonylContact C-O 3.6Å; P95-Q139 WeakPolarHBondContact CA-O 3.46Å; P95-Q139 HydrophobicContact CB-CG 4.21Å; P95-V141 HydrophobicContact CB-CG2 4.03Å |
| 96 | L | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 115.1 | 168 | 177 | 63 | 0 | 0 | 0 | 108.1 | Q94 R100 L101 L121 V127 V138 Q139 L140 V141 I154 | Q94-L96 PolarHBondContact O-N 3.19Å; L96-R100 HydrophobicContact CD1-CB 4.3Å; L96-R100 HydrophobicContact CD1-CG 4.02Å; L96-L101 HydrophobicContact CD2-CD1 4.25Å; L96-L121 HydrophobicContact CD2-CD1 3.92Å; L96-L121 HydrophobicContact CD2-CD2 3.89Å; L96-V127 HydrophobicContact CB-CG1 4.24Å; L96-V127 HydrophobicContact CD1-CG1 3.93Å; L96-V127 HydrophobicContact CG-CG1 4.5Å; L96-V138 HydrophobicContact CB-CG1 3.36Å; L96-V138 HydrophobicContact CD2-CG1 4.01Å; L96-V138 HydrophobicContact CG-CG1 4.34Å; L96-Q139 PolarHBondContact N-O 3.28Å; L96-L140 HydrophobicContact CB-CD1 4.46Å; L96-L140 HydrophobicContact CD2-CD1 4.14Å; L96-L140 HydrophobicContact CG-CD1 4.15Å; L96-L140 WeakPolarHBondContact O-CA 3.35Å; L96-V141 PolarHBondContact O-N 3.09Å; L96-I154 HydrophobicContact CD2-CD1 4.37Å |
| 97 | T | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 65.3 Ų | 65.3 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 152.3 | 179 | 60.9 | 0 | 0 | 0 | 0 | 110.7 | N99 R100 L101 E143 | T97-N99 VanDerWaalsContact C-N 3.29Å; T97-N99 PolarHBondContact O-N 2.92Å; T97-R100 WeakPolarHBondContact O-CB 3.45Å; T97-R100 PolarHBondContact O-N 3.38Å; T97-R100 VanDerWaalsContact O-N 3.14Å; T97-R100 VanDerWaalsContact OG1-CB 3.26Å; T97-R100 WeakPolarHBondContact OG1-CB 3.42Å; T97-R100 PolarHBondContact OG1-N 2.93Å; T97-L101 PolarHBondContact O-N 3.45Å; T97-E143 HydrophobicContact CG2-CB 3.85Å; T97-E143 HydrophobicContact CG2-CG 4.42Å; T97-E143 WeakPolarHBondContact CG2-OE2 3.43Å |
| 98 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.8 | -65.3 | 176.1 | 0 | 0 | 0 | 111.9 | R100 L101 Q102 L140 V141 E143 A145 F148 A163 A166 I167 | L98-R100 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 3.43Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-Q102 WeakPolarHBondContact O-CB 3.39Å; L98-Q102 PolarHBondContact O-N 3.42Å; L98-L140 HydrophobicContact CD2-CD1 4.18Å; L98-L140 HydrophobicContact CD2-CD2 4.4Å; L98-L140 HydrophobicContact CD2-CG 4.42Å; L98-V141 PolarHBondContact N-O 3.09Å; L98-E143 PolarHBondContact N-O 3.09Å; L98-A145 HydrophobicContact CD1-CB 3.98Å; L98-F148 HydrophobicContact CB-CB 4.17Å; L98-F148 HydrophobicContact CB-CD2 4Å; L98-F148 HydrophobicContact CB-CG 4.14Å; L98-F148 HydrophobicContact CD1-CB 4.38Å; L98-F148 HydrophobicContact CD1-CG 4.44Å; L98-F148 HydrophobicContact CD2-CD2 4.34Å; L98-F148 HydrophobicContact CD2-CG 4.37Å; L98-A163 HydrophobicContact CD1-CB 4.34Å; L98-A166 HydrophobicContact CD1-CB 3.6Å; L98-I167 HydrophobicContact CD2-CD1 3.96Å; L98-I167 HydrophobicContact CD2-CG1 4.03Å |
| 99 | N | 97.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 65.9 Ų | 65.9 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.2 | -44.8 | 171.1 | -82.3 | -18.7 | 0 | 0 | 0 | 112 | T97 L101 Y103 E143 G144 | T97-N99 VanDerWaalsContact C-N 3.29Å; T97-N99 PolarHBondContact O-N 2.92Å; N99-L101 VanDerWaalsContact C-N 3.34Å; N99-Y103 WeakPolarHBondContact O-CB 3.34Å; N99-Y103 PolarHBondContact O-N 2.99Å; N99-E143 PolarHBondContact N-O 3.3Å; N99-E143 VanDerWaalsContact N-O 3.15Å; N99-G144 WeakPolarHBondContact OD1-CA 3.49Å |
| 100 | R | 97.7 | Very high | 97.3 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 178 | 178.3 | 57 | 175.1 | 176.1 | -0.5 | 111.2 | L96 T97 L98 Y103 L104 R125 | L96-R100 HydrophobicContact CD1-CB 4.3Å; L96-R100 HydrophobicContact CD1-CG 4.02Å; T97-R100 WeakPolarHBondContact O-CB 3.45Å; T97-R100 PolarHBondContact O-N 3.38Å; T97-R100 VanDerWaalsContact O-N 3.14Å; T97-R100 VanDerWaalsContact OG1-CB 3.26Å; T97-R100 WeakPolarHBondContact OG1-CB 3.42Å; T97-R100 PolarHBondContact OG1-N 2.93Å; L98-R100 VanDerWaalsContact C-N 3.32Å; L98-R100 PolarHBondContact O-N 3.43Å; R100-Y103 VanDerWaalsContact NH1-CD1 3.25Å; R100-L104 HydrophobicContact CG-CD1 4.17Å; R100-L104 WeakPolarHBondContact O-CD1 3.46Å; R100-L104 VanDerWaalsContact O-CG 3.22Å; R100-L104 WeakPolarHBondContact O-CG 3.36Å; R100-L104 PolarHBondContact O-N 3.12Å; R100-L104 VanDerWaalsContact O-N 3.12Å; R100-R125 PolarHBondContact NH2-O 2.77Å |
| 101 | L | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | 178.3 | -168.2 | 154.3 | 0 | 0 | 0 | 111.2 | L96 T97 L98 N99 Y103 L104 I105 L140 F148 I154 | L96-L101 HydrophobicContact CD2-CD1 4.25Å; T97-L101 PolarHBondContact O-N 3.45Å; L98-L101 PolarHBondContact O-N 3.01Å; N99-L101 VanDerWaalsContact C-N 3.34Å; L101-Y103 PolarHBondContact O-N 2.93Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-L104 VanDerWaalsContact O-N 3.15Å; L101-I105 HydrophobicContact CD2-CD1 3.49Å; L101-I105 VanDerWaalsContact CD2-CD1 3.49Å; L101-I105 HydrophobicContact CD2-CG1 4.36Å; L101-I105 PolarHBondContact O-N 2.98Å; L101-I105 VanDerWaalsContact O-N 3.16Å; L101-L140 HydrophobicContact CD1-CD1 4.35Å; L101-F148 HydrophobicContact CD2-CE2 3.45Å; L101-F148 VanDerWaalsContact CD2-CE2 3.45Å; L101-F148 HydrophobicContact CD2-CZ 3.79Å; L101-I154 HydrophobicContact CD1-CD1 3.41Å; L101-I154 VanDerWaalsContact CD1-CD1 3.41Å |
| 102 | Q | 97.7 | Very high | 97.4 | Very high | 29 Ų | 29 | 53.1 Ų | 53.1 | 14% | 0.136 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 175.6 | -171.3 | 64.5 | 55.8 | 0 | 0 | 111.3 | L98 L104 I105 D106 F148 A149 A150 | L98-Q102 WeakPolarHBondContact O-CB 3.39Å; L98-Q102 PolarHBondContact O-N 3.42Å; Q102-L104 PolarHBondContact O-N 3.39Å; Q102-I105 WeakPolarHBondContact O-CB 3.46Å; Q102-I105 PolarHBondContact O-N 3.39Å; Q102-D106 PolarHBondContact NE2-OD1 3.39Å; Q102-D106 PolarHBondContact O-N 2.97Å; Q102-F148 HydrophobicContact CB-CD2 4.07Å; Q102-F148 HydrophobicContact CB-CE2 4.39Å; Q102-A149 VanDerWaalsContact OE1-N 3.15Å; Q102-A150 VanDerWaalsContact OE1-N 3.16Å |
| 103 | Y | 97.8 | Very high | 97.3 | Very high | 117 Ų | 117 | 51.9 Ų | 51.9 | 46% | 0.459 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.8 | -37.2 | 177.1 | 174.4 | -96.7 | 0 | 0 | 0 | 113.3 | N99 R100 L101 L107 | N99-Y103 WeakPolarHBondContact O-CB 3.34Å; N99-Y103 PolarHBondContact O-N 2.99Å; R100-Y103 VanDerWaalsContact NH1-CD1 3.25Å; L101-Y103 PolarHBondContact O-N 2.93Å; Y103-L107 HydrophobicContact CD1-CD1 4.04Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.26Å; Y103-L107 HydrophobicContact CE2-CD1 4.02Å; Y103-L107 HydrophobicContact CE2-CG 4.27Å; Y103-L107 WeakPolarHBondContact O-CB 3.48Å; Y103-L107 WeakPolarHBondContact O-CG 3.48Å; Y103-L107 PolarHBondContact O-N 2.78Å; Y103-L107 WeakPolarHBondContact OH-CD1 3.43Å |
| 104 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.2 | -32.8 | 178.6 | -68.9 | 165.4 | 0 | 0 | 0 | 112.4 | R100 L101 Q102 R109 I110 | R100-L104 HydrophobicContact CG-CD1 4.17Å; R100-L104 WeakPolarHBondContact O-CD1 3.46Å; R100-L104 VanDerWaalsContact O-CG 3.22Å; R100-L104 WeakPolarHBondContact O-CG 3.36Å; R100-L104 PolarHBondContact O-N 3.12Å; R100-L104 VanDerWaalsContact O-N 3.12Å; L101-L104 PolarHBondContact O-N 3.27Å; L101-L104 VanDerWaalsContact O-N 3.15Å; Q102-L104 PolarHBondContact O-N 3.39Å; L104-R109 HydrophobicContact CD2-CB 4.4Å; L104-R109 PolarHBondContact O-N 3.2Å; L104-I110 HydrophobicContact CB-CB 4.46Å; L104-I110 HydrophobicContact CB-CD1 3.68Å; L104-I110 HydrophobicContact CB-CG1 4.02Å; L104-I110 HydrophobicContact CD1-CD1 3.68Å; L104-I110 HydrophobicContact CG-CD1 4.26Å; L104-I110 PolarHBondContact O-N 3.02Å |
| 105 | I | 97.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 174.3 | -67.3 | 173.2 | 0 | 0 | 0 | 110.1 | L101 Q102 L107 G108 I110 P112 A150 V152 | L101-I105 HydrophobicContact CD2-CD1 3.49Å; L101-I105 VanDerWaalsContact CD2-CD1 3.49Å; L101-I105 HydrophobicContact CD2-CG1 4.36Å; L101-I105 PolarHBondContact O-N 2.98Å; L101-I105 VanDerWaalsContact O-N 3.16Å; Q102-I105 WeakPolarHBondContact O-CB 3.46Å; Q102-I105 PolarHBondContact O-N 3.39Å; I105-L107 PolarHBondContact O-N 3.41Å; I105-G108 WeakPolarHBondContact O-CA 3.4Å; I105-G108 PolarHBondContact O-N 3.02Å; I105-I110 HydrophobicContact CG1-CB 4.39Å; I105-I110 HydrophobicContact CG1-CG2 4.47Å; I105-P112 HydrophobicContact CD1-CB 4.42Å; I105-P112 HydrophobicContact CG2-CG 4.09Å; I105-A150 HydrophobicContact CD1-CB 3.53Å; I105-V152 HydrophobicContact CD1-CG1 3.76Å |
| 106 | D | 97.3 | Very high | 97.1 | Very high | 115 Ų | 115 | 49.6 Ų | 49.6 | 62% | 0.615 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -62.5 | -33.7 | -178.6 | -60.6 | -19.5 | 0 | 0 | 0 | 112 | Q102 G108 | Q102-D106 PolarHBondContact NE2-OD1 3.39Å; Q102-D106 PolarHBondContact O-N 2.97Å; D106-G108 PolarHBondContact O-N 2.86Å |
| 107 | L | 97.7 | Very high | 97 | Very high | 95 Ų | 95 | 49.6 Ų | 49.6 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -4.3 | 172.6 | -72.9 | -175.1 | 0 | 0 | 0 | 114.3 | Y103 I105 R109 | Y103-L107 HydrophobicContact CD1-CD1 4.04Å; Y103-L107 HydrophobicContact CE1-CD1 3.33Å; Y103-L107 HydrophobicContact CE1-CG 4.26Å; Y103-L107 HydrophobicContact CE2-CD1 4.02Å; Y103-L107 HydrophobicContact CE2-CG 4.27Å; Y103-L107 WeakPolarHBondContact O-CB 3.48Å; Y103-L107 WeakPolarHBondContact O-CG 3.48Å; Y103-L107 PolarHBondContact O-N 2.78Å; Y103-L107 WeakPolarHBondContact OH-CD1 3.43Å; I105-L107 PolarHBondContact O-N 3.41Å; L107-R109 HydrophobicContact CB-CG 3.87Å; L107-R109 PolarHBondContact O-N 3.35Å |
| 108 | G | 96.6 | Very high | 96.9 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 66% | 0.66 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 21.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114 | I105 D106 | I105-G108 WeakPolarHBondContact O-CA 3.4Å; I105-G108 PolarHBondContact O-N 3.02Å; D106-G108 PolarHBondContact O-N 2.86Å |
| 109 | R | 96.7 | Very high | 96.9 | Very high | 106 Ų | 106 | 49 Ų | 49 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -82.7 | -25.9 | 178.1 | -59.4 | -173.3 | 75.9 | -166.5 | 8 | 112.4 | L104 L107 G124 | L104-R109 HydrophobicContact CD2-CB 4.4Å; L104-R109 PolarHBondContact O-N 3.2Å; L107-R109 HydrophobicContact CB-CG 3.87Å; L107-R109 PolarHBondContact O-N 3.35Å; R109-G124 PolarHBondContact NE-O 2.88Å; R109-G124 PolarHBondContact NH1-O 3.2Å; R109-G124 PolarHBondContact NH2-O 2.98Å |
| 110 | I | 97.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -125.1 | 127.4 | 174 | -63.1 | 177.6 | 0 | 0 | 0 | 106.8 | L104 I105 I116 L121 | L104-I110 HydrophobicContact CB-CB 4.46Å; L104-I110 HydrophobicContact CB-CD1 3.68Å; L104-I110 HydrophobicContact CB-CG1 4.02Å; L104-I110 HydrophobicContact CD1-CD1 3.68Å; L104-I110 HydrophobicContact CG-CD1 4.26Å; L104-I110 PolarHBondContact O-N 3.02Å; I105-I110 HydrophobicContact CG1-CB 4.39Å; I105-I110 HydrophobicContact CG1-CG2 4.47Å; I110-I116 HydrophobicContact CG2-CD1 3.69Å; I110-I116 HydrophobicContact CG2-CG1 3.89Å; I110-I116 HydrophobicContact CG2-CG2 4.3Å; I110-L121 HydrophobicContact CD1-CD2 3.63Å |
| 111 | D | 95.9 | Very high | 96.8 | Very high | 77 Ų | 77 | 45.6 Ų | 45.6 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | trans | -91.6 | 117.1 | 177.9 | -175.4 | -4.4 | 0 | 0 | 0 | 109.7 | T113 | D111-T113 PolarHBondContact O-N 3.28Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.45Å; D111-T113 PolarHBondContact OD1-N 3.38Å; D111-T113 PolarHBondContact OD1-OG1 3.44Å; D111-T113 PolarHBondContact OD2-OG1 2.99Å | ||
| 112 | P | 95.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 47 Ų | 47 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.8 | 178.8 | 31.7 | -36.3 | 0 | 0 | 0 | 113.2 | I105 Q114 V152 M255 | I105-P112 HydrophobicContact CD1-CB 4.42Å; I105-P112 HydrophobicContact CG2-CG 4.09Å; P112-Q114 PolarHBondContact O-N 3.12Å; P112-V152 HydrophobicContact CB-CG1 3.76Å; P112-M255 WeakPolarHBondContact O-CE 3.49Å |
| 113 | T | 95.1 | Very high | 96.7 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 45% | 0.448 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8.2 | 178.1 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | D111 M255 | D111-T113 PolarHBondContact O-N 3.28Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.45Å; D111-T113 PolarHBondContact OD1-N 3.38Å; D111-T113 PolarHBondContact OD1-OG1 3.44Å; D111-T113 PolarHBondContact OD2-OG1 2.99Å; T113-M255 WeakPolarHBondContact O-CG 3.33Å |
| 114 | Q | 95.3 | Very high | 96.5 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 47% | 0.467 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -118.9 | 157.4 | 176.5 | -61.1 | -176 | 13 | 0 | 0 | 110.8 | P112 I116 | P112-Q114 PolarHBondContact O-N 3.12Å; Q114-I116 PolarHBondContact O-N 3.14Å |
| 115 | P | 96.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 52 Ų | 52 | 15% | 0.149 | 28% | 0.275 | C | S | . | . | trans | -59.5 | 124.4 | 173.2 | -22.5 | 34.1 | 0 | 0 | 0 | 111.5 | D117 M255 M258 F267 | P115-D117 PolarHBondContact O-N 3.4Å; P115-M255 HydrophobicContact CG-CG 4.22Å; P115-M255 HydrophobicContact CG-SD 4.32Å; P115-M258 HydrophobicContact CG-CB 4.27Å; P115-M258 HydrophobicContact CG-SD 4.42Å; P115-F267 HydrophobicContact CB-CE1 4.21Å; P115-F267 HydrophobicContact CB-CE2 3.93Å; P115-F267 HydrophobicContact CB-CZ 3.75Å; P115-F267 HydrophobicContact CG-CE1 4.39Å; P115-F267 HydrophobicContact CG-CZ 4.41Å | ||
| 116 | I | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -84.9 | 103.1 | 178.8 | -56.3 | 178.3 | 0 | 0 | 0 | 108.5 | I110 Q114 L121 V152 N153 I154 E155 | I110-I116 HydrophobicContact CG2-CD1 3.69Å; I110-I116 HydrophobicContact CG2-CG1 3.89Å; I110-I116 HydrophobicContact CG2-CG2 4.3Å; Q114-I116 PolarHBondContact O-N 3.14Å; I116-L121 HydrophobicContact CG2-CD1 4.46Å; I116-L121 HydrophobicContact CG2-CD2 4.02Å; I116-L121 HydrophobicContact CG2-CG 3.98Å; I116-V152 HydrophobicContact CD1-CB 3.73Å; I116-V152 HydrophobicContact CD1-CG1 3.57Å; I116-V152 HydrophobicContact CD1-CG2 4.41Å; I116-N153 PolarHBondContact N-O 2.73Å; I116-I154 HydrophobicContact CB-CB 4.21Å; I116-I154 HydrophobicContact CB-CG1 4.09Å; I116-I154 HydrophobicContact CG2-CD1 4.06Å; I116-I154 HydrophobicContact CG2-CG1 4Å; I116-I154 WeakPolarHBondContact O-CA 3.47Å; I116-E155 PolarHBondContact O-N 2.93Å |
| 117 | D | 95.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | trans | -104.6 | 170.5 | 174.1 | -168.8 | 16.9 | 0 | 0 | 0 | 111.3 | P115 T119 Q120 L121 K260 F267 | P115-D117 PolarHBondContact O-N 3.4Å; D117-T119 PolarHBondContact O-N 3.16Å; D117-Q120 PolarHBondContact O-N 2.96Å; D117-L121 PolarHBondContact O-N 3.01Å; D117-K260 IonicContact OD1-NZ 3.92Å; D117-K260 PolarHBondContact OD1-NZ 3.03Å; D117-K260 IonicContact OD2-NZ 3.82Å; D117-K260 PolarHBondContact OD2-NZ 3.24Å; D117-F267 HydrophobicContact CB-CD2 4.43Å; D117-F267 HydrophobicContact CB-CE2 4.06Å | ||
| 118 | L | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.5 | -34.3 | 172.3 | -75.1 | -172.1 | 0 | 0 | 0 | 112.7 | Q120 L121 V122 I129 V138 Y179 L184 L187 | L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 3.28Å; L118-L121 HydrophobicContact CD2-CD1 4.16Å; L118-L121 PolarHBondContact O-N 3.45Å; L118-V122 WeakPolarHBondContact O-CB 3.45Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 2.77Å; L118-I129 HydrophobicContact CD1-CD1 4.16Å; L118-I129 HydrophobicContact CD2-CD1 3.82Å; L118-I129 HydrophobicContact CG-CD1 4.5Å; L118-V138 HydrophobicContact CD2-CB 3.94Å; L118-V138 HydrophobicContact CD2-CG2 3.44Å; L118-V138 VanDerWaalsContact CD2-CG2 3.44Å; L118-Y179 HydrophobicContact CD1-CD2 4.46Å; L118-L184 HydrophobicContact CD1-CD1 3.45Å; L118-L184 VanDerWaalsContact CD1-CD1 3.45Å; L118-L187 HydrophobicContact CB-CD2 3.61Å; L118-L187 HydrophobicContact CB-CG 4.31Å; L118-L187 HydrophobicContact CD1-CD2 3.86Å; L118-L187 HydrophobicContact CG-CD2 4.18Å |
| 119 | T | 96.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 11% | 0.11 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.6 | -48.8 | 174.7 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | D117 V122 N123 L187 F266 | D117-T119 PolarHBondContact O-N 3.16Å; T119-V122 PolarHBondContact O-N 3.31Å; T119-N123 VanDerWaalsContact O-CB 3.31Å; T119-N123 WeakPolarHBondContact O-CB 3.47Å; T119-N123 PolarHBondContact O-N 3.32Å; T119-N123 PolarHBondContact O-ND2 3.4Å; T119-L187 HydrophobicContact CG2-CD1 3.47Å; T119-L187 VanDerWaalsContact CG2-CD1 3.47Å; T119-L187 HydrophobicContact CG2-CG 3.7Å; T119-L187 WeakPolarHBondContact CG2-O 3.4Å; T119-F266 HydrophobicContact CG2-CD1 4.09Å; T119-F266 HydrophobicContact CG2-CE1 4.02Å |
| 120 | Q | 96.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.5 | -38.9 | -179.8 | -61.3 | -57.3 | -19.8 | 0 | 0 | 111.4 | D117 L118 V122 N123 G124 | D117-Q120 PolarHBondContact O-N 2.96Å; L118-Q120 VanDerWaalsContact C-N 3.33Å; L118-Q120 PolarHBondContact O-N 3.28Å; Q120-V122 PolarHBondContact O-N 3.02Å; Q120-N123 PolarHBondContact O-N 3.32Å; Q120-G124 PolarHBondContact O-N 3.46Å |
| 121 | L | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -39.2 | 176 | -68.1 | 168.6 | 0 | 0 | 0 | 112.4 | L96 I110 I116 D117 L118 R125 G126 V127 | L96-L121 HydrophobicContact CD2-CD1 3.92Å; L96-L121 HydrophobicContact CD2-CD2 3.89Å; I110-L121 HydrophobicContact CD1-CD2 3.63Å; I116-L121 HydrophobicContact CG2-CD1 4.46Å; I116-L121 HydrophobicContact CG2-CD2 4.02Å; I116-L121 HydrophobicContact CG2-CG 3.98Å; D117-L121 PolarHBondContact O-N 3.01Å; L118-L121 HydrophobicContact CD2-CD1 4.16Å; L118-L121 PolarHBondContact O-N 3.45Å; L121-R125 PolarHBondContact O-N 3.2Å; L121-G126 PolarHBondContact O-N 3.22Å; L121-V127 HydrophobicContact CB-CG2 3.87Å |
| 122 | V | 97.1 | Very high | 95.9 | Very high | 29 Ų | 29 | 50 Ų | 50 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.1 | -42.2 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L118 T119 Q120 G124 R125 V127 I129 C188 | L118-V122 WeakPolarHBondContact O-CB 3.45Å; L118-V122 VanDerWaalsContact O-CG2 3.31Å; L118-V122 WeakPolarHBondContact O-CG2 3.33Å; L118-V122 PolarHBondContact O-N 2.77Å; T119-V122 PolarHBondContact O-N 3.31Å; Q120-V122 PolarHBondContact O-N 3.02Å; V122-G124 VanDerWaalsContact C-N 3.32Å; V122-G124 PolarHBondContact O-N 3.45Å; V122-R125 WeakPolarHBondContact O-CA 3.27Å; V122-R125 WeakPolarHBondContact O-CD 3.31Å; V122-R125 PolarHBondContact O-N 2.95Å; V122-V127 HydrophobicContact CG2-CG2 4.39Å; V122-I129 HydrophobicContact CG2-CD1 4.29Å; V122-C188 WeakPolarHBondContact CG1-O 3.5Å |
| 123 | N | 96.4 | Very high | 95.9 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 174.6 | -71.8 | -19.9 | 0 | 0 | 0 | 112 | T119 Q120 R125 | T119-N123 VanDerWaalsContact O-CB 3.31Å; T119-N123 WeakPolarHBondContact O-CB 3.47Å; T119-N123 PolarHBondContact O-N 3.32Å; T119-N123 PolarHBondContact O-ND2 3.4Å; Q120-N123 PolarHBondContact O-N 3.32Å; N123-R125 WeakPolarHBondContact O-CD 3.44Å; N123-R125 PolarHBondContact O-N 3.06Å; N123-R125 PolarHBondContact O-NH1 3.02Å |
| 124 | G | 95.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -2.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R109 Q120 V122 G126 | R109-G124 PolarHBondContact NE-O 2.88Å; R109-G124 PolarHBondContact NH1-O 3.2Å; R109-G124 PolarHBondContact NH2-O 2.98Å; Q120-G124 PolarHBondContact O-N 3.46Å; V122-G124 VanDerWaalsContact C-N 3.32Å; V122-G124 PolarHBondContact O-N 3.45Å; G124-G126 PolarHBondContact O-N 3.06Å; G124-G126 VanDerWaalsContact O-N 3.1Å |
| 125 | R | 96.2 | Very high | 96 | Very high | 169 Ų | 169 | 51 Ų | 51 | 64% | 0.638 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 41.2 | -172 | -64.1 | 64.9 | 179.2 | -174.6 | 4.4 | 110.8 | R100 L121 V122 N123 | R100-R125 PolarHBondContact NH2-O 2.77Å; L121-R125 PolarHBondContact O-N 3.2Å; V122-R125 WeakPolarHBondContact O-CA 3.27Å; V122-R125 WeakPolarHBondContact O-CD 3.31Å; V122-R125 PolarHBondContact O-N 2.95Å; N123-R125 WeakPolarHBondContact O-CD 3.44Å; N123-R125 PolarHBondContact O-N 3.06Å; N123-R125 PolarHBondContact O-NH1 3.02Å |
| 126 | G | 93.1 | Very high | 96 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 12% | 0.124 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -76.5 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | L121 G124 | L121-G126 PolarHBondContact O-N 3.22Å; G124-G126 PolarHBondContact O-N 3.06Å; G124-G126 VanDerWaalsContact O-N 3.1Å |
| 127 | V | 95.6 | Very high | 96 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | trans | -131.2 | 153.8 | 177 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | L96 L121 V122 I129 V138 | L96-V127 HydrophobicContact CB-CG1 4.24Å; L96-V127 HydrophobicContact CD1-CG1 3.93Å; L96-V127 HydrophobicContact CG-CG1 4.5Å; L121-V127 HydrophobicContact CB-CG2 3.87Å; V122-V127 HydrophobicContact CG2-CG2 4.39Å; V127-I129 HydrophobicContact CG2-CD1 4.12Å; V127-I129 HydrophobicContact CG2-CG1 4.12Å; V127-V138 HydrophobicContact CB-CG2 4.35Å; V127-V138 HydrophobicContact CG1-CG2 4.26Å; V127-V138 HydrophobicContact CG2-CG2 3.96Å | ||
| 128 | T | 96.5 | Very high | 96.1 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 60% | 0.601 | 25% | 0.252 | S | S | * | . | trans | -120.5 | 113.5 | 171.6 | -59.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 129 | I | 96.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | trans | -106.4 | 138.4 | -177.6 | -55.1 | 170.6 | 0 | 0 | 0 | 108.6 | L118 V122 V127 D135 V138 L184 | L118-I129 HydrophobicContact CD1-CD1 4.16Å; L118-I129 HydrophobicContact CD2-CD1 3.82Å; L118-I129 HydrophobicContact CG-CD1 4.5Å; V122-I129 HydrophobicContact CG2-CD1 4.29Å; V127-I129 HydrophobicContact CG2-CD1 4.12Å; V127-I129 HydrophobicContact CG2-CG1 4.12Å; I129-D135 HydrophobicContact CG2-CB 3.78Å; I129-V138 HydrophobicContact CD1-CG2 3.71Å; I129-V138 HydrophobicContact CG1-CG2 4.23Å; I129-L184 HydrophobicContact CG2-CD2 4.07Å; I129-L184 HydrophobicContact CG2-CG 4.46Å | ||
| 130 | Q | 95.7 | Very high | 96.2 | Very high | 78 Ų | 78 | 55.2 Ų | 55.2 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | trans | -124.2 | 88.1 | 179.8 | -61.4 | -176.1 | 10.1 | 0 | 0 | 109.7 | Q132 K133 D135 | Q130-Q132 PolarHBondContact O-N 2.94Å; Q130-K133 HydrophobicContact CB-CB 4.17Å; Q130-K133 HydrophobicContact CB-CD 4.35Å; Q130-K133 HydrophobicContact CB-CG 4.16Å; Q130-K133 PolarHBondContact O-N 3.12Å; Q130-D135 WeakPolarHBondContact CA-OD2 3.48Å; Q130-D135 PolarHBondContact N-OD2 3.13Å | ||
| 131 | P | 94.8 | Very high | 96.3 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 23% | 0.234 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -53.4 | -32.5 | -179.3 | -27.1 | 34 | 0 | 0 | 0 | 113.8 | K133 R134 L184 A185 | P131-K133 PolarHBondContact O-N 3.12Å; P131-R134 PolarHBondContact O-N 3.1Å; P131-L184 HydrophobicContact CB-CD2 4.46Å; P131-L184 HydrophobicContact CG-CD2 4.28Å; P131-L184 HydrophobicContact CG-CG 4.28Å; P131-A185 HydrophobicContact CB-CB 4.18Å; P131-A185 HydrophobicContact CG-CB 4.08Å |
| 132 | Q | 94.6 | Very high | 96.3 | Very high | 195 Ų | 195 | 54.4 Ų | 54.4 | 91% | 0.911 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -65 | -22.8 | 176.8 | -67.1 | 179.7 | -15.1 | 0 | 0 | 114 | Q130 R134 | Q130-Q132 PolarHBondContact O-N 2.94Å; Q132-R134 VanDerWaalsContact C-N 3.3Å |
| 133 | K | 95.9 | Very high | 96.3 | Very high | 128 Ų | 128 | 58.8 Ų | 58.8 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -91.6 | 13.3 | 177.5 | -68.8 | -165.7 | 179.9 | 160.7 | 0 | 113.7 | Q130 P131 D135 | Q130-K133 HydrophobicContact CB-CB 4.17Å; Q130-K133 HydrophobicContact CB-CD 4.35Å; Q130-K133 HydrophobicContact CB-CG 4.16Å; Q130-K133 PolarHBondContact O-N 3.12Å; P131-K133 PolarHBondContact O-N 3.12Å; K133-D135 VanDerWaalsContact C-N 3.27Å |
| 134 | R | 95.1 | Very high | 96.3 | Very high | 88 Ų | 88 | 55.9 Ų | 55.9 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 30.5 | -177.1 | -50.7 | 157.1 | -171.5 | 161 | -1.2 | 112.4 | H87 S88 Q92 P131 Q132 Y136 | H87-R134 PolarHBondContact O-NH1 2.94Å; S88-R134 VanDerWaalsContact CA-CZ 3.4Å; S88-R134 WeakPolarHBondContact O-CD 3.18Å; S88-R134 PolarHBondContact O-NE 2.99Å; S88-R134 PolarHBondContact O-NH1 3.2Å; S88-R134 PolarHBondContact O-NH2 2.91Å; Q92-R134 PolarHBondContact N-O 3.22Å; P131-R134 PolarHBondContact O-N 3.1Å; Q132-R134 VanDerWaalsContact C-N 3.3Å; R134-Y136 HydrophobicContact CB-CE2 4.42Å; R134-Y136 VanDerWaalsContact O-CD2 3.23Å; R134-Y136 WeakPolarHBondContact O-CD2 3.42Å |
| 135 | D | 97.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 130.2 | 163.9 | -61.9 | -12.4 | 0 | 0 | 0 | 107.9 | Q92 I129 Q130 K133 L184 | Q92-D135 CarbonylContact O-C 3.53Å; Q92-D135 VanDerWaalsContact O-CA 3.3Å; Q92-D135 WeakPolarHBondContact O-CA 3.05Å; I129-D135 HydrophobicContact CG2-CB 3.78Å; Q130-D135 WeakPolarHBondContact CA-OD2 3.48Å; Q130-D135 PolarHBondContact N-OD2 3.13Å; K133-D135 VanDerWaalsContact C-N 3.27Å; D135-L184 WeakPolarHBondContact O-CD2 3.42Å |
| 136 | Y | 96.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 52 Ų | 52 | 22% | 0.224 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -3.5 | 174.8 | -78.1 | -97.6 | 0 | 0 | 0 | 112.2 | A91 Q92 R134 Q157 F178 P181 | A91-Y136 HydrophobicContact CB-CD2 3.37Å; A91-Y136 HydrophobicContact CB-CE2 3.76Å; A91-Y136 HydrophobicContact CB-CG 3.95Å; Q92-Y136 PolarHBondContact O-N 3.05Å; R134-Y136 HydrophobicContact CB-CE2 4.42Å; R134-Y136 VanDerWaalsContact O-CD2 3.23Å; R134-Y136 WeakPolarHBondContact O-CD2 3.42Å; Y136-Q157 WeakPolarHBondContact O-CG 3.34Å; Y136-F178 HydrophobicContact CD1-CE2 4.14Å; Y136-F178 HydrophobicContact CD1-CZ 4.5Å; Y136-P181 HydrophobicContact CE1-CG 3.81Å |
| 137 | G | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148 | -137.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y93 Q94 | Y93-G137 WeakPolarHBondContact CA-O 3.31Å; Q94-G137 PolarHBondContact N-O 2.69Å |
| 138 | V | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 138.4 | -173.1 | 175 | 0 | 0 | 0 | 0 | 109.7 | Q94 L96 L118 V127 I129 Q157 M158 | Q94-V138 VanDerWaalsContact O-CA 3.29Å; Q94-V138 WeakPolarHBondContact O-CA 2.68Å; Q94-V138 WeakPolarHBondContact O-CG1 3.39Å; L96-V138 HydrophobicContact CB-CG1 3.36Å; L96-V138 HydrophobicContact CD2-CG1 4.01Å; L96-V138 HydrophobicContact CG-CG1 4.34Å; L118-V138 HydrophobicContact CD2-CB 3.94Å; L118-V138 HydrophobicContact CD2-CG2 3.44Å; L118-V138 VanDerWaalsContact CD2-CG2 3.44Å; V127-V138 HydrophobicContact CB-CG2 4.35Å; V127-V138 HydrophobicContact CG1-CG2 4.26Å; V127-V138 HydrophobicContact CG2-CG2 3.96Å; I129-V138 HydrophobicContact CD1-CG2 3.71Å; I129-V138 HydrophobicContact CG1-CG2 4.23Å; V138-Q157 PolarHBondContact O-N 2.96Å; V138-Q157 PolarHBondContact O-OE1 3.42Å; V138-M158 PolarHBondContact O-N 3.28Å |
| 139 | Q | 97.9 | Very high | 96.4 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.341 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.2 | 169.3 | 60.8 | -179 | -31.9 | 0 | 0 | 109.1 | Y93 Q94 P95 L96 V141 M158 | Y93-Q139 PolarHBondContact O-NE2 3.33Å; Q94-Q139 PolarHBondContact O-N 3.43Å; P95-Q139 CarbonylContact C-O 3.6Å; P95-Q139 WeakPolarHBondContact CA-O 3.46Å; P95-Q139 HydrophobicContact CB-CG 4.21Å; L96-Q139 PolarHBondContact N-O 3.28Å; Q139-V141 HydrophobicContact CG-CG2 4.31Å; Q139-M158 CarbonylContact C-O 3.59Å; Q139-M158 WeakPolarHBondContact CA-O 3.2Å; Q139-M158 HydrophobicContact CB-CB 4.01Å |
| 140 | L | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.8 | 176.4 | -169.3 | 73.7 | 0 | 0 | 0 | 109.9 | L96 L98 L101 V156 M158 A159 S160 A163 I167 | L96-L140 HydrophobicContact CB-CD1 4.46Å; L96-L140 HydrophobicContact CD2-CD1 4.14Å; L96-L140 HydrophobicContact CG-CD1 4.15Å; L96-L140 WeakPolarHBondContact O-CA 3.35Å; L98-L140 HydrophobicContact CD2-CD1 4.18Å; L98-L140 HydrophobicContact CD2-CD2 4.4Å; L98-L140 HydrophobicContact CD2-CG 4.42Å; L101-L140 HydrophobicContact CD1-CD1 4.35Å; L140-V156 HydrophobicContact CB-CB 4.48Å; L140-V156 HydrophobicContact CB-CG1 4.25Å; L140-V156 HydrophobicContact CB-CG2 4.05Å; L140-M158 PolarHBondContact N-O 3.04Å; L140-A159 HydrophobicContact CB-CB 4.09Å; L140-A159 HydrophobicContact CD2-CB 4.47Å; L140-S160 PolarHBondContact O-N 3.14Å; L140-A163 HydrophobicContact CD2-CB 3.82Å; L140-A163 HydrophobicContact CG-CB 3.87Å; L140-I167 HydrophobicContact CD2-CD1 3.53Å |
| 141 | V | 98 | Very high | 96.4 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 30% | 0.303 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.2 | -173.8 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | P95 L96 L98 Q139 E143 | P95-V141 HydrophobicContact CB-CG2 4.03Å; L96-V141 PolarHBondContact O-N 3.09Å; L98-V141 PolarHBondContact N-O 3.09Å; Q139-V141 HydrophobicContact CG-CG2 4.31Å; V141-E143 PolarHBondContact O-N 3.43Å |
| 142 | G | 96.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | trans | -68 | 1.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | G144 A145 S160 | G142-G144 PolarHBondContact O-N 3.15Å; G142-G144 VanDerWaalsContact O-N 3.08Å; G142-A145 VanDerWaalsContact O-CB 3.22Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.44Å; G142-S160 PolarHBondContact N-OG 3.28Å | ||
| 143 | E | 97.6 | Very high | 96.7 | Very high | 121 Ų | 121 | 44.8 Ų | 44.8 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 115.5 | 178 | -172.1 | -173.2 | 161.3 | 0 | 0 | 110.5 | T97 L98 N99 V141 | T97-E143 HydrophobicContact CG2-CB 3.85Å; T97-E143 HydrophobicContact CG2-CG 4.42Å; T97-E143 WeakPolarHBondContact CG2-OE2 3.43Å; L98-E143 PolarHBondContact N-O 3.09Å; N99-E143 PolarHBondContact N-O 3.3Å; N99-E143 VanDerWaalsContact N-O 3.15Å; V141-E143 PolarHBondContact O-N 3.43Å |
| 144 | G | 95.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | 5.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N99 G142 G146 I147 F148 | N99-G144 WeakPolarHBondContact OD1-CA 3.49Å; G142-G144 PolarHBondContact O-N 3.15Å; G142-G144 VanDerWaalsContact O-N 3.08Å; G144-G146 PolarHBondContact O-N 3Å; G144-G146 VanDerWaalsContact O-N 3.1Å; G144-I147 PolarHBondContact O-N 3.08Å; G144-I147 VanDerWaalsContact O-N 3.09Å; G144-F148 PolarHBondContact O-N 3.3Å; G144-F148 VanDerWaalsContact O-N 3.09Å |
| 145 | A | 95.5 | Very high | 96.9 | Very high | 14 Ų | 14 | 35 Ų | 35 | 12% | 0.116 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -30.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L98 G142 E162 A166 | L98-A145 HydrophobicContact CD1-CB 3.98Å; G142-A145 VanDerWaalsContact O-CB 3.22Å; G142-A145 WeakPolarHBondContact O-CB 3.3Å; G142-A145 PolarHBondContact O-N 3.44Å; A145-E162 HydrophobicContact CB-CG 4.06Å; A145-A166 HydrophobicContact CB-CB 3.85Å |
| 146 | G | 94.2 | Very high | 97 | Very high | 79 Ų | 79 | 34.3 Ų | 34.3 | 81% | 0.814 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -25.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G144 | G144-G146 PolarHBondContact O-N 3Å; G144-G146 VanDerWaalsContact O-N 3.1Å |
| 147 | I | 95.8 | Very high | 97 | Very high | 131 Ų | 131 | 31.7 Ų | 31.7 | 67% | 0.672 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -23.5 | -175.6 | -56.8 | 169.3 | 0 | 0 | 0 | 110.8 | G144 A149 | G144-I147 PolarHBondContact O-N 3.08Å; G144-I147 VanDerWaalsContact O-N 3.09Å; I147-A149 PolarHBondContact O-N 3.4Å |
| 148 | F | 97.5 | Very high | 97.1 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | trans | -58.5 | 122.4 | -177.7 | -172.7 | -102.8 | 0 | 0 | 0 | 111.9 | L98 L101 Q102 G144 A150 V152 I167 N170 | L98-F148 HydrophobicContact CB-CB 4.17Å; L98-F148 HydrophobicContact CB-CD2 4Å; L98-F148 HydrophobicContact CB-CG 4.14Å; L98-F148 HydrophobicContact CD1-CB 4.38Å; L98-F148 HydrophobicContact CD1-CG 4.44Å; L98-F148 HydrophobicContact CD2-CD2 4.34Å; L98-F148 HydrophobicContact CD2-CG 4.37Å; L101-F148 HydrophobicContact CD2-CE2 3.45Å; L101-F148 VanDerWaalsContact CD2-CE2 3.45Å; L101-F148 HydrophobicContact CD2-CZ 3.79Å; Q102-F148 HydrophobicContact CB-CD2 4.07Å; Q102-F148 HydrophobicContact CB-CE2 4.39Å; G144-F148 PolarHBondContact O-N 3.3Å; G144-F148 VanDerWaalsContact O-N 3.09Å; F148-A150 HydrophobicContact CE1-CB 4.46Å; F148-A150 WeakPolarHBondContact CE1-O 3.44Å; F148-A150 HydrophobicContact CE2-CB 3.91Å; F148-A150 HydrophobicContact CZ-CB 3.72Å; F148-A150 WeakPolarHBondContact CZ-O 3.33Å; F148-V152 HydrophobicContact CZ-CG2 4.31Å; F148-I167 HydrophobicContact CD1-CG1 4.29Å; F148-I167 HydrophobicContact CE1-CB 4.43Å; F148-I167 HydrophobicContact CE1-CG1 3.67Å; F148-I167 HydrophobicContact CZ-CG1 4.24Å; F148-N170 WeakPolarHBondContact CD1-ND2 3.31Å; F148-N170 PolarHBondContact O-ND2 3.49Å | ||
| 149 | A | 96.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 34.7 Ų | 34.7 | 60% | 0.595 | 21% | 0.213 | S | C | * | . | trans | -127.2 | -5.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q102 I147 N170 | Q102-A149 VanDerWaalsContact OE1-N 3.15Å; I147-A149 PolarHBondContact O-N 3.4Å; A149-N170 VanDerWaalsContact CA-ND2 3.31Å; A149-N170 WeakPolarHBondContact CA-ND2 3.16Å | ||
| 150 | A | 96.4 | Very high | 97.1 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | trans | -73.9 | 141 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q102 I105 F148 V152 | Q102-A150 VanDerWaalsContact OE1-N 3.16Å; I105-A150 HydrophobicContact CD1-CB 3.53Å; F148-A150 HydrophobicContact CE1-CB 4.46Å; F148-A150 WeakPolarHBondContact CE1-O 3.44Å; F148-A150 HydrophobicContact CE2-CB 3.91Å; F148-A150 HydrophobicContact CZ-CB 3.72Å; F148-A150 WeakPolarHBondContact CZ-O 3.33Å; A150-V152 HydrophobicContact CB-CG1 4.17Å | ||
| 151 | K | 96.6 | Very high | 97.1 | Very high | 65 Ų | 65 | 37 Ų | 37 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | trans | -98.7 | 112.2 | 172.5 | -179.4 | 171.8 | -179.5 | 171.4 | 0 | 109.1 | G171 D250 | K151-G171 WeakPolarHBondContact CE-O 3.47Å; K151-D250 WeakPolarHBondContact CE-OD2 3.47Å; K151-D250 IonicContact NZ-OD1 2.98Å; K151-D250 PolarHBondContact NZ-OD1 3.02Å; K151-D250 IonicContact NZ-OD2 3.3Å; K151-D250 PolarHBondContact NZ-OD2 3.2Å | ||
| 152 | V | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -139.9 | 149.3 | -171.2 | -63.8 | 0 | 0 | 0 | 0 | 112 | I105 P112 I116 F148 A150 I154 I167 G172 I173 | I105-V152 HydrophobicContact CD1-CG1 3.76Å; P112-V152 HydrophobicContact CB-CG1 3.76Å; I116-V152 HydrophobicContact CD1-CB 3.73Å; I116-V152 HydrophobicContact CD1-CG1 3.57Å; I116-V152 HydrophobicContact CD1-CG2 4.41Å; F148-V152 HydrophobicContact CZ-CG2 4.31Å; A150-V152 HydrophobicContact CB-CG1 4.17Å; V152-I154 HydrophobicContact CG2-CB 4.42Å; V152-I154 HydrophobicContact CG2-CG2 4.36Å; V152-I167 HydrophobicContact CG2-CG2 4.18Å; V152-G172 CarbonylContact O-C 3.51Å; V152-G172 WeakPolarHBondContact O-CA 3.36Å; V152-I173 PolarHBondContact O-N 2.95Å | ||
| 153 | N | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 108.7 | 160.7 | 178.7 | 7.1 | 0 | 0 | 0 | 107.8 | I116 I173 M255 L256 M258 | I116-N153 PolarHBondContact N-O 2.73Å; N153-I173 WeakPolarHBondContact CA-O 3.47Å; N153-M255 HydrophobicContact CB-SD 3.89Å; N153-M255 PolarHBondContact ND2-O 3.3Å; N153-L256 HydrophobicContact CB-CD2 3.95Å; N153-L256 PolarHBondContact ND2-O 3.33Å; N153-L256 VanDerWaalsContact ND2-O 3.15Å; N153-M258 PolarHBondContact ND2-O 3.49Å |
| 154 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.5 | -177.5 | -171.6 | 168.6 | 0 | 0 | 0 | 111.9 | L96 L101 I116 V152 V156 I167 I173 V174 T175 | L96-I154 HydrophobicContact CD2-CD1 4.37Å; L101-I154 HydrophobicContact CD1-CD1 3.41Å; L101-I154 VanDerWaalsContact CD1-CD1 3.41Å; I116-I154 HydrophobicContact CB-CB 4.21Å; I116-I154 HydrophobicContact CB-CG1 4.09Å; I116-I154 HydrophobicContact CG2-CD1 4.06Å; I116-I154 HydrophobicContact CG2-CG1 4Å; I116-I154 WeakPolarHBondContact O-CA 3.47Å; V152-I154 HydrophobicContact CG2-CB 4.42Å; V152-I154 HydrophobicContact CG2-CG2 4.36Å; I154-V156 HydrophobicContact CD1-CG1 3.92Å; I154-V156 HydrophobicContact CG1-CG1 3.98Å; I154-I167 HydrophobicContact CG2-CD1 3.82Å; I154-I173 PolarHBondContact N-O 3.07Å; I154-V174 HydrophobicContact CG2-CG1 4.45Å; I154-V174 HydrophobicContact CG2-CG2 4.05Å; I154-V174 WeakPolarHBondContact O-CA 3.42Å; I154-T175 PolarHBondContact O-N 2.91Å |
| 155 | E | 98.1 | Very high | 97.3 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.8 | 169.1 | -170.6 | -178 | 162.4 | 0 | 0 | 110.6 | I116 T175 Y179 R203 K260 | I116-E155 PolarHBondContact O-N 2.93Å; E155-T175 WeakPolarHBondContact CA-O 3.47Å; E155-Y179 VanDerWaalsContact CD-OH 3.3Å; E155-Y179 PolarHBondContact OE1-OH 3.39Å; E155-R203 IonicContact OE1-NH1 2.78Å; E155-R203 PolarHBondContact OE1-NH1 2.95Å; E155-K260 IonicContact OE1-NZ 3.75Å; E155-K260 WeakPolarHBondContact OE2-CE 3.3Å; E155-K260 IonicContact OE2-NZ 2.7Å; E155-K260 PolarHBondContact OE2-NZ 3.1Å |
| 156 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 171.2 | 175.8 | -70.8 | 0 | 0 | 0 | 0 | 110.1 | L140 I154 M158 A159 V174 T175 T176 G177 | L140-V156 HydrophobicContact CB-CB 4.48Å; L140-V156 HydrophobicContact CB-CG1 4.25Å; L140-V156 HydrophobicContact CB-CG2 4.05Å; I154-V156 HydrophobicContact CD1-CG1 3.92Å; I154-V156 HydrophobicContact CG1-CG1 3.98Å; V156-M158 WeakPolarHBondContact CG2-O 3.43Å; V156-A159 HydrophobicContact CG2-CB 4.03Å; V156-V174 HydrophobicContact CG2-CG1 4.2Å; V156-T175 PolarHBondContact N-O 3.08Å; V156-T176 HydrophobicContact CG2-CG2 4.43Å; V156-T176 CarbonylContact O-C 3.46Å; V156-T176 WeakPolarHBondContact O-CA 3.22Å; V156-G177 PolarHBondContact O-N 3.37Å |
| 157 | Q | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -89.4 | -41.9 | 179.7 | -70.3 | 65.1 | 41.8 | 0 | 0 | 110.7 | Y93 Y136 V138 G177 Y179 Y214 | Y93-Q157 HydrophobicContact CD1-CB 3.88Å; Y93-Q157 HydrophobicContact CE1-CB 3.61Å; Y93-Q157 HydrophobicContact CE1-CG 4.27Å; Y136-Q157 WeakPolarHBondContact O-CG 3.34Å; V138-Q157 PolarHBondContact O-N 2.96Å; V138-Q157 PolarHBondContact O-OE1 3.42Å; Q157-G177 WeakPolarHBondContact CG-O 3.23Å; Q157-Y179 HydrophobicContact CG-CD2 4.37Å; Q157-Y214 PolarHBondContact O-OH 3.2Å |
| 158 | M | 98.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 25% | 0.251 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150 | 173.1 | -61.1 | -156.7 | 76.9 | 0 | 0 | 110.3 | Y93 V138 Q139 L140 V156 Y213 | Y93-M158 HydrophobicContact CD1-CG 4.39Å; Y93-M158 HydrophobicContact CD2-CG 4.18Å; Y93-M158 HydrophobicContact CD2-SD 3.77Å; Y93-M158 HydrophobicContact CE1-CG 4.23Å; Y93-M158 HydrophobicContact CE2-CG 4.01Å; Y93-M158 HydrophobicContact CE2-SD 3.54Å; Y93-M158 VanDerWaalsContact CE2-SD 3.54Å; Y93-M158 HydrophobicContact CG-CG 4.37Å; Y93-M158 HydrophobicContact CG-SD 4.48Å; V138-M158 PolarHBondContact O-N 3.28Å; Q139-M158 CarbonylContact C-O 3.59Å; Q139-M158 WeakPolarHBondContact CA-O 3.2Å; Q139-M158 HydrophobicContact CB-CB 4.01Å; L140-M158 PolarHBondContact N-O 3.04Å; V156-M158 WeakPolarHBondContact CG2-O 3.43Å; M158-Y213 WeakPolarHBondContact CA-OH 3.45Å; M158-Y213 HydrophobicContact CE-CD2 4.24Å; M158-Y213 HydrophobicContact CE-CE1 4.21Å; M158-Y213 HydrophobicContact CE-CE2 3.63Å; M158-Y213 HydrophobicContact CG-CE1 4.37Å |
| 159 | A | 98.2 | Very high | 97.6 | Very high | 13 Ų | 13 | 27 Ų | 27 | 11% | 0.107 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 139.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L140 V156 I164 V174 T176 Y213 | L140-A159 HydrophobicContact CB-CB 4.09Å; L140-A159 HydrophobicContact CD2-CB 4.47Å; V156-A159 HydrophobicContact CG2-CB 4.03Å; A159-I164 HydrophobicContact CB-CD1 3.89Å; A159-I164 HydrophobicContact CB-CG1 3.72Å; A159-V174 HydrophobicContact CB-CG1 4.29Å; A159-T176 HydrophobicContact CB-CG2 4.29Å; A159-Y213 PolarHBondContact N-OH 3.35Å |
| 160 | S | 97.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 25.8 Ų | 25.8 | 30% | 0.301 | 13% | 0.127 | S | C | . | . | trans | -76 | 149.1 | 170 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | L140 G142 E162 A163 I164 | L140-S160 PolarHBondContact O-N 3.14Å; G142-S160 PolarHBondContact N-OG 3.28Å; S160-E162 VanDerWaalsContact C-N 3.27Å; S160-E162 PolarHBondContact O-N 2.83Å; S160-A163 PolarHBondContact O-N 3.4Å; S160-A163 WeakPolarHBondContact OG-CB 3.23Å; S160-A163 PolarHBondContact OG-N 3.04Å; S160-I164 WeakPolarHBondContact O-CG1 3.5Å; S160-I164 PolarHBondContact O-N 2.94Å; S160-I164 VanDerWaalsContact O-N 3.08Å | ||
| 161 | E | 97.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 25.4 Ų | 25.4 | 38% | 0.383 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -55.1 | -43.4 | 179.5 | -169.2 | -173.1 | 173.8 | 0 | 0 | 112.2 | A163 I164 A165 L236 K239 Y240 | E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 2.95Å; E161-I164 PolarHBondContact O-N 2.91Å; E161-A165 PolarHBondContact O-N 3.21Å; E161-L236 HydrophobicContact CG-CD1 3.88Å; E161-L236 HydrophobicContact CG-CG 4.5Å; E161-K239 VanDerWaalsContact OE1-CD 3.27Å; E161-K239 WeakPolarHBondContact OE1-CD 3.43Å; E161-K239 WeakPolarHBondContact OE1-CE 3.45Å; E161-K239 IonicContact OE1-NZ 3.37Å; E161-K239 PolarHBondContact OE1-NZ 2.7Å; E161-K239 IonicContact OE2-NZ 2.89Å; E161-K239 PolarHBondContact OE2-NZ 3.01Å; E161-Y240 HydrophobicContact CG-CE2 3.92Å |
| 162 | E | 97.5 | Very high | 97.5 | Very high | 100 Ų | 100 | 22.3 Ų | 22.3 | 47% | 0.467 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -61.8 | -38.5 | 176.9 | -175.8 | -178.9 | -166.3 | 0 | 0 | 112.7 | A145 S160 A165 A166 | A145-E162 HydrophobicContact CB-CG 4.06Å; S160-E162 VanDerWaalsContact C-N 3.27Å; S160-E162 PolarHBondContact O-N 2.83Å; E162-A165 VanDerWaalsContact O-CB 3.31Å; E162-A165 WeakPolarHBondContact O-CB 3.36Å; E162-A165 PolarHBondContact O-N 2.92Å; E162-A166 PolarHBondContact O-N 3.45Å; E162-A166 VanDerWaalsContact O-N 3.09Å |
| 163 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.1 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | L98 L140 S160 E161 A165 A166 I167 | L98-A163 HydrophobicContact CD1-CB 4.34Å; L140-A163 HydrophobicContact CD2-CB 3.82Å; L140-A163 HydrophobicContact CG-CB 3.87Å; S160-A163 PolarHBondContact O-N 3.4Å; S160-A163 WeakPolarHBondContact OG-CB 3.23Å; S160-A163 PolarHBondContact OG-N 3.04Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 2.95Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A166 PolarHBondContact O-N 3.39Å; A163-I167 WeakPolarHBondContact O-CG1 3.37Å; A163-I167 PolarHBondContact O-N 3.5Å |
| 164 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 174.6 | -61.6 | 165.2 | 0 | 0 | 0 | 110 | A159 S160 E161 A166 I167 E168 V174 R220 L236 | A159-I164 HydrophobicContact CB-CD1 3.89Å; A159-I164 HydrophobicContact CB-CG1 3.72Å; S160-I164 WeakPolarHBondContact O-CG1 3.5Å; S160-I164 PolarHBondContact O-N 2.94Å; S160-I164 VanDerWaalsContact O-N 3.08Å; E161-I164 PolarHBondContact O-N 2.91Å; I164-A166 PolarHBondContact O-N 3.03Å; I164-I167 PolarHBondContact O-N 2.81Å; I164-E168 HydrophobicContact CG2-CG 4.26Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.47Å; I164-E168 WeakPolarHBondContact O-CB 3.43Å; I164-E168 WeakPolarHBondContact O-CG 3.46Å; I164-E168 PolarHBondContact O-N 3.01Å; I164-V174 HydrophobicContact CG1-CG1 4.33Å; I164-R220 HydrophobicContact CG2-CG 4.46Å; I164-R220 VanDerWaalsContact CG2-NE 3.27Å; I164-L236 HydrophobicContact CB-CD1 4.45Å; I164-L236 HydrophobicContact CG2-CD1 4.17Å |
| 165 | A | 97.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -53.8 | -50.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E161 E162 A163 I167 E168 R169 L236 Y240 Y242 | E161-A165 PolarHBondContact O-N 3.21Å; E162-A165 VanDerWaalsContact O-CB 3.31Å; E162-A165 WeakPolarHBondContact O-CB 3.36Å; E162-A165 PolarHBondContact O-N 2.92Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A165-I167 PolarHBondContact O-N 3.25Å; A165-E168 PolarHBondContact O-N 3.4Å; A165-R169 VanDerWaalsContact O-CB 3.23Å; A165-R169 WeakPolarHBondContact O-CB 3.22Å; A165-R169 PolarHBondContact O-N 3.34Å; A165-L236 VanDerWaalsContact CA-CD2 3.46Å; A165-L236 HydrophobicContact CB-CD2 3.32Å; A165-Y240 HydrophobicContact CB-CD1 4.22Å; A165-Y240 HydrophobicContact CB-CD2 3.93Å; A165-Y240 HydrophobicContact CB-CE1 4.43Å; A165-Y240 HydrophobicContact CB-CE2 4.15Å; A165-Y240 HydrophobicContact CB-CG 3.96Å; A165-Y242 HydrophobicContact CB-CE1 4.24Å |
| 166 | A | 97.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L98 A145 E162 A163 I164 N170 | L98-A166 HydrophobicContact CD1-CB 3.6Å; A145-A166 HydrophobicContact CB-CB 3.85Å; E162-A166 PolarHBondContact O-N 3.45Å; E162-A166 VanDerWaalsContact O-N 3.09Å; A163-A166 PolarHBondContact O-N 3.39Å; I164-A166 PolarHBondContact O-N 3.03Å; A166-N170 PolarHBondContact O-ND2 3.12Å |
| 167 | I | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.4 | -45.5 | 178.1 | -66.8 | 175.1 | 0 | 0 | 0 | 111.1 | L98 L140 F148 V152 I154 A163 I164 A165 R169 N170 G171 G172 V174 | L98-I167 HydrophobicContact CD2-CD1 3.96Å; L98-I167 HydrophobicContact CD2-CG1 4.03Å; L140-I167 HydrophobicContact CD2-CD1 3.53Å; F148-I167 HydrophobicContact CD1-CG1 4.29Å; F148-I167 HydrophobicContact CE1-CB 4.43Å; F148-I167 HydrophobicContact CE1-CG1 3.67Å; F148-I167 HydrophobicContact CZ-CG1 4.24Å; V152-I167 HydrophobicContact CG2-CG2 4.18Å; I154-I167 HydrophobicContact CG2-CD1 3.82Å; A163-I167 WeakPolarHBondContact O-CG1 3.37Å; A163-I167 PolarHBondContact O-N 3.5Å; I164-I167 PolarHBondContact O-N 2.81Å; A165-I167 PolarHBondContact O-N 3.25Å; I167-R169 VanDerWaalsContact C-N 3.33Å; I167-R169 PolarHBondContact O-N 3.43Å; I167-N170 PolarHBondContact O-N 2.67Å; I167-G171 PolarHBondContact O-N 2.98Å; I167-G172 WeakPolarHBondContact O-CA 3.27Å; I167-G172 PolarHBondContact O-N 3.05Å; I167-V174 HydrophobicContact CB-CG2 3.76Å; I167-V174 HydrophobicContact CD1-CG2 3.62Å; I167-V174 HydrophobicContact CG1-CG2 4.27Å; I167-V174 HydrophobicContact CG2-CG2 3.63Å |
| 168 | E | 97.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.9 | -32.6 | -179.3 | -72.4 | -177.5 | -178.7 | 0 | 0 | 112.5 | I164 A165 N170 G171 R220 R233 | I164-E168 HydrophobicContact CG2-CG 4.26Å; I164-E168 WeakPolarHBondContact CG2-OE1 3.47Å; I164-E168 WeakPolarHBondContact O-CB 3.43Å; I164-E168 WeakPolarHBondContact O-CG 3.46Å; I164-E168 PolarHBondContact O-N 3.01Å; A165-E168 PolarHBondContact O-N 3.4Å; E168-N170 PolarHBondContact O-N 3.47Å; E168-G171 PolarHBondContact O-N 3Å; E168-R220 VanDerWaalsContact CD-NH2 3.28Å; E168-R220 IonicContact OE1-CZ 2.95Å; E168-R220 VanDerWaalsContact OE1-CZ 3.3Å; E168-R220 IonicContact OE1-NE 2.69Å; E168-R220 PolarHBondContact OE1-NE 3.49Å; E168-R220 IonicContact OE1-NH2 2.77Å; E168-R220 PolarHBondContact OE1-NH2 3.28Å; E168-R220 IonicContact OE2-CZ 2.79Å; E168-R220 IonicContact OE2-NH2 2.78Å; E168-R220 PolarHBondContact OE2-NH2 3.25Å; E168-R233 IonicContact OE1-NE 2.92Å; E168-R233 WeakPolarHBondContact OE2-CG 3.1Å; E168-R233 IonicContact OE2-NE 2.62Å |
| 169 | R | 96.8 | Very high | 97.5 | Very high | 106 Ų | 106 | 22 Ų | 22 | 40% | 0.4 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -57.1 | -38.2 | 172.9 | 178.1 | -175.8 | -68.5 | 166.6 | -6.5 | 111.9 | A165 I167 G171 Y240 Y242 | A165-R169 VanDerWaalsContact O-CB 3.23Å; A165-R169 WeakPolarHBondContact O-CB 3.22Å; A165-R169 PolarHBondContact O-N 3.34Å; I167-R169 VanDerWaalsContact C-N 3.33Å; I167-R169 PolarHBondContact O-N 3.43Å; R169-G171 PolarHBondContact O-N 3.03Å; R169-Y240 PolarHBondContact NH2-O 3.07Å; R169-Y242 HydrophobicContact CB-CD1 4.31Å; R169-Y242 HydrophobicContact CB-CD2 3.81Å; R169-Y242 HydrophobicContact CB-CE1 4.47Å; R169-Y242 HydrophobicContact CB-CE2 4.01Å; R169-Y242 HydrophobicContact CB-CG 3.98Å; R169-Y242 HydrophobicContact CG-CD2 4.05Å; R169-Y242 HydrophobicContact CG-CG 3.97Å |
| 170 | N | 96.2 | Very high | 97.4 | Very high | 46 Ų | 46 | 22.4 Ų | 22.4 | 25% | 0.246 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 4.1 | 177.6 | -62 | -24.5 | 0 | 0 | 0 | 113 | F148 A149 A166 I167 E168 | F148-N170 WeakPolarHBondContact CD1-ND2 3.31Å; F148-N170 PolarHBondContact O-ND2 3.49Å; A149-N170 VanDerWaalsContact CA-ND2 3.31Å; A149-N170 WeakPolarHBondContact CA-ND2 3.16Å; A166-N170 PolarHBondContact O-ND2 3.12Å; I167-N170 PolarHBondContact O-N 2.67Å; E168-N170 PolarHBondContact O-N 3.47Å |
| 171 | G | 95.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 17.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K151 I167 E168 R169 P245 | K151-G171 WeakPolarHBondContact CE-O 3.47Å; I167-G171 PolarHBondContact O-N 2.98Å; E168-G171 PolarHBondContact O-N 3Å; R169-G171 PolarHBondContact O-N 3.03Å; G171-P245 VanDerWaalsContact CA-CG 3.42Å |
| 172 | G | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -78.5 | 174.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V152 I167 | V152-G172 CarbonylContact O-C 3.51Å; V152-G172 WeakPolarHBondContact O-CA 3.36Å; I167-G172 WeakPolarHBondContact O-CA 3.27Å; I167-G172 PolarHBondContact O-N 3.05Å | ||
| 173 | I | 97.3 | Very high | 97.3 | Very high | 29 Ų | 29 | 21.6 Ų | 21.6 | 15% | 0.149 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.4 | 175.1 | -68.4 | -176.8 | 0 | 0 | 0 | 108.4 | V152 N153 I154 I247 L256 | V152-I173 PolarHBondContact O-N 2.95Å; N153-I173 WeakPolarHBondContact CA-O 3.47Å; I154-I173 PolarHBondContact N-O 3.07Å; I173-I247 HydrophobicContact CD1-CD1 4.01Å; I173-I247 HydrophobicContact CG1-CD1 3.83Å; I173-L256 HydrophobicContact CD1-CB 3.99Å; I173-L256 WeakPolarHBondContact CD1-O 3.38Å |
| 174 | V | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.6 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | I154 V156 A159 I164 I167 R220 | I154-V174 HydrophobicContact CG2-CG1 4.45Å; I154-V174 HydrophobicContact CG2-CG2 4.05Å; I154-V174 WeakPolarHBondContact O-CA 3.42Å; V156-V174 HydrophobicContact CG2-CG1 4.2Å; A159-V174 HydrophobicContact CB-CG1 4.29Å; I164-V174 HydrophobicContact CG1-CG1 4.33Å; I167-V174 HydrophobicContact CB-CG2 3.76Å; I167-V174 HydrophobicContact CD1-CG2 3.62Å; I167-V174 HydrophobicContact CG1-CG2 4.27Å; I167-V174 HydrophobicContact CG2-CG2 3.63Å; V174-R220 WeakPolarHBondContact O-CB 3.38Å; V174-R220 WeakPolarHBondContact O-CG 3.44Å |
| 175 | T | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 7% | 0.067 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.6 | 171.1 | -56.3 | 0 | 0 | 0 | 0 | 109.1 | I154 E155 V156 | I154-T175 PolarHBondContact O-N 2.91Å; E155-T175 WeakPolarHBondContact CA-O 3.47Å; V156-T175 PolarHBondContact N-O 3.08Å |
| 176 | T | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.1 | 170.8 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | V156 A159 Y213 N219 R220 G221 Y222 | V156-T176 HydrophobicContact CG2-CG2 4.43Å; V156-T176 CarbonylContact O-C 3.46Å; V156-T176 WeakPolarHBondContact O-CA 3.22Å; A159-T176 HydrophobicContact CB-CG2 4.29Å; T176-Y213 HydrophobicContact CG2-CE1 4.42Å; T176-N219 WeakPolarHBondContact CG2-O 3.44Å; T176-N219 PolarHBondContact OG1-O 3.1Å; T176-R220 PolarHBondContact N-O 2.69Å; T176-R220 PolarHBondContact OG1-O 2.72Å; T176-G221 VanDerWaalsContact OG1-CA 3.26Å; T176-G221 WeakPolarHBondContact OG1-CA 3.28Å; T176-G221 PolarHBondContact OG1-N 2.88Å; T176-Y222 VanDerWaalsContact O-CB 3.3Å; T176-Y222 WeakPolarHBondContact O-CB 3.49Å; T176-Y222 VanDerWaalsContact O-CD1 3.24Å; T176-Y222 WeakPolarHBondContact O-CD1 3.45Å; T176-Y222 PolarHBondContact O-N 3.23Å |
| 177 | G | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -127.2 | 133.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V156 Q157 | V156-G177 PolarHBondContact O-N 3.37Å; Q157-G177 WeakPolarHBondContact CG-O 3.23Å | ||
| 178 | F | 97.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 24.3 Ų | 24.3 | 8% | 0.083 | 12% | 0.121 | C | C | . | . | trans | -83.4 | 143.9 | 176.9 | -179.5 | -105.4 | 0 | 0 | 0 | 111.8 | Y136 D180 R203 M204 P206 Y214 Y222 | Y136-F178 HydrophobicContact CD1-CE2 4.14Å; Y136-F178 HydrophobicContact CD1-CZ 4.5Å; F178-D180 HydrophobicContact CE1-CB 4.22Å; F178-R203 WeakPolarHBondContact O-CD 3.26Å; F178-R203 PolarHBondContact O-NH1 3.3Å; F178-M204 WeakPolarHBondContact CD1-O 3.35Å; F178-P206 HydrophobicContact CB-CB 4.27Å; F178-P206 HydrophobicContact CD1-CB 4.03Å; F178-P206 HydrophobicContact CD2-CB 4.11Å; F178-P206 HydrophobicContact CE1-CB 4.4Å; F178-P206 HydrophobicContact CE2-CB 4.48Å; F178-P206 HydrophobicContact CG-CB 3.86Å; F178-Y214 HydrophobicContact CB-CD2 4.19Å; F178-Y214 HydrophobicContact CB-CE1 4.14Å; F178-Y214 HydrophobicContact CB-CE2 3.76Å; F178-Y214 AromaticContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CG-CE2 4.18Å; F178-Y222 HydrophobicContact CB-CE1 4.08Å | ||
| 179 | Y | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -131 | 125.8 | 169.1 | -66.6 | -87.9 | 0 | 0 | 0 | 109.5 | L118 E155 Q157 L187 R203 K260 | L118-Y179 HydrophobicContact CD1-CD2 4.46Å; E155-Y179 VanDerWaalsContact CD-OH 3.3Å; E155-Y179 PolarHBondContact OE1-OH 3.39Å; Q157-Y179 HydrophobicContact CG-CD2 4.37Å; Y179-L187 HydrophobicContact CD1-CD2 3.89Å; Y179-L187 HydrophobicContact CD2-CD2 4.45Å; Y179-L187 HydrophobicContact CE1-CD1 4.43Å; Y179-L187 HydrophobicContact CE1-CD2 3.6Å; Y179-L187 HydrophobicContact CE2-CD2 4.21Å; Y179-L187 HydrophobicContact CG-CD2 4.31Å; Y179-R203 VanDerWaalsContact CZ-NH1 3.27Å; Y179-R203 PolarHBondContact OH-NH1 2.92Å; Y179-K260 WeakPolarHBondContact OH-CE 3.27Å; Y179-K260 PolarHBondContact OH-NZ 3.07Å | ||
| 180 | D | 96.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | trans | -67.3 | 158 | 169.5 | 63.1 | -80.6 | 0 | 0 | 0 | 110.7 | F178 R182 S183 L184 R203 M204 | F178-D180 HydrophobicContact CE1-CB 4.22Å; D180-R182 PolarHBondContact O-N 2.66Å; D180-R182 WeakPolarHBondContact OD2-CB 3.46Å; D180-R182 PolarHBondContact OD2-N 2.87Å; D180-S183 VanDerWaalsContact CG-OG 3.25Å; D180-S183 PolarHBondContact O-N 3.19Å; D180-S183 VanDerWaalsContact O-N 3.08Å; D180-S183 WeakPolarHBondContact OD1-CB 3.45Å; D180-S183 PolarHBondContact OD1-OG 3.2Å; D180-S183 PolarHBondContact OD2-N 3.37Å; D180-S183 PolarHBondContact OD2-OG 2.74Å; D180-L184 WeakPolarHBondContact O-CB 3.25Å; D180-L184 PolarHBondContact O-N 2.85Å; D180-R203 WeakPolarHBondContact OD1-CA 3.1Å; D180-M204 HydrophobicContact CB-CB 4.16Å; D180-M204 PolarHBondContact OD1-N 3.43Å | ||
| 181 | P | 96.1 | Very high | 97 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 40% | 0.403 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -55.1 | -32.4 | -175.4 | -29.3 | 36.2 | 0 | 0 | 0 | 114.6 | Y136 A185 | Y136-P181 HydrophobicContact CE1-CG 3.81Å; P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.36Å |
| 182 | R | 96.8 | Very high | 97 | Very high | 145 Ų | 145 | 32.7 Ų | 32.7 | 55% | 0.547 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.1 | -51.2 | 176.9 | -178.3 | -177.8 | -178.1 | 177.3 | 0.9 | 110.3 | D180 L184 A185 V186 | D180-R182 PolarHBondContact O-N 2.66Å; D180-R182 WeakPolarHBondContact OD2-CB 3.46Å; D180-R182 PolarHBondContact OD2-N 2.87Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 2.61Å; R182-A185 PolarHBondContact O-N 2.91Å; R182-V186 WeakPolarHBondContact O-CG2 3.36Å; R182-V186 PolarHBondContact O-N 3.03Å |
| 183 | S | 97.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -39.5 | 178 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | D180 A185 V186 L187 R203 I265 | D180-S183 VanDerWaalsContact CG-OG 3.25Å; D180-S183 PolarHBondContact O-N 3.19Å; D180-S183 VanDerWaalsContact O-N 3.08Å; D180-S183 WeakPolarHBondContact OD1-CB 3.45Å; D180-S183 PolarHBondContact OD1-OG 3.2Å; D180-S183 PolarHBondContact OD2-N 3.37Å; D180-S183 PolarHBondContact OD2-OG 2.74Å; S183-A185 PolarHBondContact O-N 2.92Å; S183-V186 PolarHBondContact O-N 2.93Å; S183-L187 VanDerWaalsContact O-CB 3.29Å; S183-L187 WeakPolarHBondContact O-CB 3.35Å; S183-L187 PolarHBondContact O-N 3.2Å; S183-R203 WeakPolarHBondContact OG-CA 3.47Å; S183-R203 WeakPolarHBondContact OG-CB 3.25Å; S183-I265 WeakPolarHBondContact OG-CD1 3.11Å |
| 184 | L | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -42.5 | 176 | -176.3 | 68.7 | 0 | 0 | 0 | 111.9 | L118 I129 P131 D135 D180 R182 V186 L187 C188 | L118-L184 HydrophobicContact CD1-CD1 3.45Å; L118-L184 VanDerWaalsContact CD1-CD1 3.45Å; I129-L184 HydrophobicContact CG2-CD2 4.07Å; I129-L184 HydrophobicContact CG2-CG 4.46Å; P131-L184 HydrophobicContact CB-CD2 4.46Å; P131-L184 HydrophobicContact CG-CD2 4.28Å; P131-L184 HydrophobicContact CG-CG 4.28Å; D135-L184 WeakPolarHBondContact O-CD2 3.42Å; D180-L184 WeakPolarHBondContact O-CB 3.25Å; D180-L184 PolarHBondContact O-N 2.85Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 2.61Å; L184-V186 VanDerWaalsContact C-N 3.35Å; L184-L187 PolarHBondContact O-N 3.15Å; L184-C188 WeakPolarHBondContact O-CB 3.27Å; L184-C188 PolarHBondContact O-N 2.83Å; L184-C188 PolarHBondContact O-SG 2.8Å |
| 185 | A | 97.1 | Very high | 97 | Very high | 44 Ų | 44 | 39.4 Ų | 39.4 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P131 P181 R182 S183 K189 | P131-A185 HydrophobicContact CB-CB 4.18Å; P131-A185 HydrophobicContact CG-CB 4.08Å; P181-A185 WeakPolarHBondContact O-CB 3.34Å; P181-A185 PolarHBondContact O-N 3.36Å; R182-A185 PolarHBondContact O-N 2.91Å; S183-A185 PolarHBondContact O-N 2.92Å; A185-K189 PolarHBondContact O-N 3.2Å; A185-K189 VanDerWaalsContact O-N 3.16Å |
| 186 | V | 97.2 | Very high | 97 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | R182 S183 L184 K189 P190 F193 I265 F266 | R182-V186 WeakPolarHBondContact O-CG2 3.36Å; R182-V186 PolarHBondContact O-N 3.03Å; S183-V186 PolarHBondContact O-N 2.93Å; L184-V186 VanDerWaalsContact C-N 3.35Å; V186-K189 CarbonylContact O-C 3.23Å; V186-K189 VanDerWaalsContact O-C 3.23Å; V186-K189 PolarHBondContact O-N 2.73Å; V186-P190 VanDerWaalsContact O-CA 3.25Å; V186-P190 WeakPolarHBondContact O-CA 3.45Å; V186-P190 VanDerWaalsContact O-N 3.12Å; V186-F193 HydrophobicContact CB-CD2 4.49Å; V186-F193 HydrophobicContact CB-CG 4.32Å; V186-F193 HydrophobicContact CG1-CB 4.25Å; V186-F193 HydrophobicContact CG1-CD1 3.59Å; V186-F193 HydrophobicContact CG1-CD2 4.22Å; V186-F193 HydrophobicContact CG1-CE1 3.98Å; V186-F193 HydrophobicContact CG1-CG 3.72Å; V186-F193 HydrophobicContact CG1-CZ 4.44Å; V186-F193 HydrophobicContact CG2-CB 4.41Å; V186-F193 HydrophobicContact CG2-CD1 4.46Å; V186-F193 HydrophobicContact CG2-CD2 3.56Å; V186-F193 HydrophobicContact CG2-CE2 3.91Å; V186-F193 HydrophobicContact CG2-CG 3.87Å; V186-F193 HydrophobicContact CG2-CZ 4.5Å; V186-I265 HydrophobicContact CG1-CG2 4.48Å; V186-F266 HydrophobicContact CG1-CE2 3.74Å; V186-F266 HydrophobicContact CG1-CZ 3.59Å |
| 187 | L | 96 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | -179.8 | -164.1 | 75.5 | 0 | 0 | 0 | 112.2 | L118 T119 Y179 S183 L184 K189 I265 F266 | L118-L187 HydrophobicContact CB-CD2 3.61Å; L118-L187 HydrophobicContact CB-CG 4.31Å; L118-L187 HydrophobicContact CD1-CD2 3.86Å; L118-L187 HydrophobicContact CG-CD2 4.18Å; T119-L187 HydrophobicContact CG2-CD1 3.47Å; T119-L187 VanDerWaalsContact CG2-CD1 3.47Å; T119-L187 HydrophobicContact CG2-CG 3.7Å; T119-L187 WeakPolarHBondContact CG2-O 3.4Å; Y179-L187 HydrophobicContact CD1-CD2 3.89Å; Y179-L187 HydrophobicContact CD2-CD2 4.45Å; Y179-L187 HydrophobicContact CE1-CD1 4.43Å; Y179-L187 HydrophobicContact CE1-CD2 3.6Å; Y179-L187 HydrophobicContact CE2-CD2 4.21Å; Y179-L187 HydrophobicContact CG-CD2 4.31Å; S183-L187 VanDerWaalsContact O-CB 3.29Å; S183-L187 WeakPolarHBondContact O-CB 3.35Å; S183-L187 PolarHBondContact O-N 3.2Å; L184-L187 PolarHBondContact O-N 3.15Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.48Å; L187-I265 HydrophobicContact CB-CG2 4.32Å; L187-I265 HydrophobicContact CD1-CG2 3.68Å; L187-I265 WeakPolarHBondContact CD1-O 3.4Å; L187-F266 HydrophobicContact CD1-CD1 3.97Å; L187-F266 HydrophobicContact CD1-CE1 3.95Å |
| 188 | C | 96.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68 | -34 | 178.8 | -68.3 | 0 | 0 | 0 | 0 | 112.5 | V122 L184 | V122-C188 WeakPolarHBondContact CG1-O 3.5Å; L184-C188 WeakPolarHBondContact O-CB 3.27Å; L184-C188 PolarHBondContact O-N 2.83Å; L184-C188 PolarHBondContact O-SG 2.8Å |
| 189 | K | 96.4 | Very high | 96.8 | Very high | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.635 | 28% | 0.281 | S | S | * | . | trans | -136.8 | 74.7 | -176.4 | -66.2 | -175.7 | -177.2 | 176.9 | 0 | 110.6 | A185 V186 L187 P192 | A185-K189 PolarHBondContact O-N 3.2Å; A185-K189 VanDerWaalsContact O-N 3.16Å; V186-K189 CarbonylContact O-C 3.23Å; V186-K189 VanDerWaalsContact O-C 3.23Å; V186-K189 PolarHBondContact O-N 2.73Å; L187-K189 VanDerWaalsContact C-N 3.34Å; L187-K189 PolarHBondContact O-N 3.48Å; K189-P192 HydrophobicContact CB-CG 4.25Å; K189-P192 WeakPolarHBondContact O-CD 3.5Å | ||
| 190 | P | 97.1 | Very high | 96.8 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.9 | -36 | -175.6 | 25.9 | -33.9 | 0 | 0 | 0 | 113 | V186 F193 F194 F266 | V186-P190 VanDerWaalsContact O-CA 3.25Å; V186-P190 WeakPolarHBondContact O-CA 3.45Å; V186-P190 VanDerWaalsContact O-N 3.12Å; P190-F193 WeakPolarHBondContact O-CA 3.44Å; P190-F193 WeakPolarHBondContact O-CB 3.31Å; P190-F193 PolarHBondContact O-N 3.19Å; P190-F193 VanDerWaalsContact O-N 3.1Å; P190-F194 HydrophobicContact CB-CD2 4.28Å; P190-F194 HydrophobicContact CB-CE2 3.79Å; P190-F194 HydrophobicContact CB-CZ 4.42Å; P190-F194 VanDerWaalsContact O-CD2 3.23Å; P190-F194 WeakPolarHBondContact O-CD2 3.3Å; P190-F194 WeakPolarHBondContact O-CG 3.24Å; P190-F194 PolarHBondContact O-N 2.88Å; P190-F266 HydrophobicContact CB-CE1 3.79Å; P190-F266 HydrophobicContact CB-CZ 3.74Å; P190-F266 HydrophobicContact CG-CE1 4.49Å |
| 191 | V | 96.9 | Very high | 96.9 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -51.3 | -176.7 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | F193 F194 L195 | V191-F193 PolarHBondContact O-N 3.36Å; V191-F194 PolarHBondContact O-N 3.34Å; V191-L195 HydrophobicContact CG1-CD1 4.24Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 3.04Å; V191-L195 VanDerWaalsContact O-N 3.08Å |
| 192 | P | 96.9 | Very high | 96.9 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 53% | 0.532 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.6 | -34.2 | 172.7 | -26.5 | 35.3 | 0 | 0 | 0 | 113.9 | K189 S196 | K189-P192 HydrophobicContact CB-CG 4.25Å; K189-P192 WeakPolarHBondContact O-CD 3.5Å; P192-S196 PolarHBondContact O-N 3.09Å |
| 193 | F | 97.5 | Very high | 96.9 | Very high | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.088 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -48.3 | 176.7 | 171.9 | -101.3 | 0 | 0 | 0 | 111.7 | V186 P190 V191 L195 S196 Q198 I200 | V186-F193 HydrophobicContact CB-CD2 4.49Å; V186-F193 HydrophobicContact CB-CG 4.32Å; V186-F193 HydrophobicContact CG1-CB 4.25Å; V186-F193 HydrophobicContact CG1-CD1 3.59Å; V186-F193 HydrophobicContact CG1-CD2 4.22Å; V186-F193 HydrophobicContact CG1-CE1 3.98Å; V186-F193 HydrophobicContact CG1-CG 3.72Å; V186-F193 HydrophobicContact CG1-CZ 4.44Å; V186-F193 HydrophobicContact CG2-CB 4.41Å; V186-F193 HydrophobicContact CG2-CD1 4.46Å; V186-F193 HydrophobicContact CG2-CD2 3.56Å; V186-F193 HydrophobicContact CG2-CE2 3.91Å; V186-F193 HydrophobicContact CG2-CG 3.87Å; V186-F193 HydrophobicContact CG2-CZ 4.5Å; P190-F193 WeakPolarHBondContact O-CA 3.44Å; P190-F193 WeakPolarHBondContact O-CB 3.31Å; P190-F193 PolarHBondContact O-N 3.19Å; P190-F193 VanDerWaalsContact O-N 3.1Å; V191-F193 PolarHBondContact O-N 3.36Å; F193-L195 VanDerWaalsContact C-N 3.27Å; F193-L195 PolarHBondContact O-N 2.98Å; F193-S196 VanDerWaalsContact O-CB 3.3Å; F193-S196 WeakPolarHBondContact O-CB 3.18Å; F193-S196 PolarHBondContact O-N 3.49Å; F193-S196 PolarHBondContact O-OG 3.11Å; F193-Q198 HydrophobicContact CE2-CB 3.95Å; F193-Q198 HydrophobicContact CZ-CB 4.12Å; F193-I200 HydrophobicContact CE1-CG1 4.22Å |
| 194 | F | 97.5 | Very high | 96.8 | Very high | 26 Ų | 26 | 45.3 Ų | 45.3 | 11% | 0.114 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 178.6 | -63 | -45.6 | 0 | 0 | 0 | 112.8 | P190 V191 S196 G197 I200 F266 L269 V275 M277 | P190-F194 HydrophobicContact CB-CD2 4.28Å; P190-F194 HydrophobicContact CB-CE2 3.79Å; P190-F194 HydrophobicContact CB-CZ 4.42Å; P190-F194 VanDerWaalsContact O-CD2 3.23Å; P190-F194 WeakPolarHBondContact O-CD2 3.3Å; P190-F194 WeakPolarHBondContact O-CG 3.24Å; P190-F194 PolarHBondContact O-N 2.88Å; V191-F194 PolarHBondContact O-N 3.34Å; F194-S196 PolarHBondContact O-N 3.46Å; F194-G197 PolarHBondContact O-N 3.25Å; F194-I200 HydrophobicContact CE1-CD1 4.09Å; F194-I200 HydrophobicContact CE1-CG1 4Å; F194-F266 HydrophobicContact CE1-CE2 4.22Å; F194-F266 HydrophobicContact CZ-CD2 4.25Å; F194-F266 AromaticContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CZ 4.09Å; F194-L269 HydrophobicContact CZ-CD1 4.15Å; F194-V275 HydrophobicContact CD1-CB 3.75Å; F194-V275 HydrophobicContact CD1-CG1 4.47Å; F194-V275 HydrophobicContact CD1-CG2 3.92Å; F194-V275 HydrophobicContact CE1-CB 4.08Å; F194-V275 HydrophobicContact CE1-CG2 3.7Å; F194-V275 HydrophobicContact CG-CB 4.13Å; F194-V275 HydrophobicContact CG-CG1 4.39Å; F194-V275 HydrophobicContact CZ-CG2 4.21Å; F194-M277 HydrophobicContact CB-CG 3.98Å; F194-M277 HydrophobicContact CB-SD 4.28Å; F194-M277 HydrophobicContact CD2-SD 4.39Å |
| 195 | L | 97.1 | Very high | 96.8 | Very high | 128 Ų | 128 | 49.3 Ų | 49.3 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65.6 | -19.5 | 173.2 | -69.2 | 173.9 | 0 | 0 | 0 | 113.5 | V191 F193 G197 | V191-L195 HydrophobicContact CG1-CD1 4.24Å; V191-L195 WeakPolarHBondContact O-CG 3.44Å; V191-L195 PolarHBondContact O-N 3.04Å; V191-L195 VanDerWaalsContact O-N 3.08Å; F193-L195 VanDerWaalsContact C-N 3.27Å; F193-L195 PolarHBondContact O-N 2.98Å; L195-G197 PolarHBondContact O-N 3.26Å |
| 196 | S | 96.4 | Very high | 96.8 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -12.3 | 175.3 | 76.6 | 0 | 0 | 0 | 0 | 113.8 | P192 F193 F194 Q198 | P192-S196 PolarHBondContact O-N 3.09Å; F193-S196 VanDerWaalsContact O-CB 3.3Å; F193-S196 WeakPolarHBondContact O-CB 3.18Å; F193-S196 PolarHBondContact O-N 3.49Å; F193-S196 PolarHBondContact O-OG 3.11Å; F194-S196 PolarHBondContact O-N 3.46Å; S196-Q198 PolarHBondContact O-N 3.05Å; S196-Q198 WeakPolarHBondContact OG-CG 3.44Å |
| 197 | G | 95.5 | Very high | 96.7 | Very high | 48 Ų | 48 | 49.6 Ų | 49.6 | 50% | 0.495 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 11.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F194 L195 | F194-G197 PolarHBondContact O-N 3.25Å; L195-G197 PolarHBondContact O-N 3.26Å |
| 198 | Q | 96.9 | Very high | 96.7 | Very high | 88 Ų | 88 | 58.1 Ų | 58.1 | 41% | 0.411 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 147.1 | 177.7 | -66.3 | -175.7 | 4 | 0 | 0 | 112 | F193 S196 | F193-Q198 HydrophobicContact CE2-CB 3.95Å; F193-Q198 HydrophobicContact CZ-CB 4.12Å; S196-Q198 PolarHBondContact O-N 3.05Å; S196-Q198 WeakPolarHBondContact OG-CG 3.44Å |
| 199 | P | 97.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 65.1 Ų | 65.1 | 31% | 0.305 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -67 | 146.3 | 170.3 | 28.9 | -34.1 | 0 | 0 | 0 | 110.6 | P201 W273 V274 | P199-P201 WeakPolarHBondContact O-CD 3.38Å; P199-W273 WeakPolarHBondContact CA-O 3.33Å; P199-V274 HydrophobicContact CB-CG2 3.85Å |
| 200 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 120.7 | 177.2 | -63.6 | 169.8 | 0 | 0 | 0 | 108.8 | F193 F194 I265 F266 L269 P271 G272 W273 V275 | F193-I200 HydrophobicContact CE1-CG1 4.22Å; F194-I200 HydrophobicContact CE1-CD1 4.09Å; F194-I200 HydrophobicContact CE1-CG1 4Å; I200-I265 HydrophobicContact CG2-CD1 4.48Å; I200-F266 HydrophobicContact CD1-CD2 4.37Å; I200-F266 HydrophobicContact CG2-CD2 4.34Å; I200-L269 HydrophobicContact CD1-CB 3.76Å; I200-L269 HydrophobicContact CD1-CD1 4.1Å; I200-L269 HydrophobicContact CD1-CG 4.47Å; I200-P271 CarbonylContact O-C 3.55Å; I200-P271 WeakPolarHBondContact O-CA 3.3Å; I200-G272 PolarHBondContact O-N 3.26Å; I200-W273 HydrophobicContact CD1-CB 4.42Å; I200-W273 WeakPolarHBondContact CG1-O 3.21Å; I200-W273 PolarHBondContact N-O 2.73Å; I200-V275 HydrophobicContact CD1-CG2 4.26Å |
| 201 | P | 97.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 62.7 Ų | 62.7 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 155.4 | 177.2 | 28.6 | -31.5 | 0 | 0 | 0 | 110.5 | P199 I265 | P199-P201 WeakPolarHBondContact O-CD 3.38Å; P201-I265 HydrophobicContact CG-CD1 3.76Å; P201-I265 WeakPolarHBondContact O-CD1 3.1Å |
| 202 | K | 96.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 136.6 | 164 | 60.4 | -177 | -175.8 | 179.1 | 0 | 109.6 | R263 P271 Y293 S296 | K202-R263 WeakPolarHBondContact CA-O 3.26Å; K202-R263 HydrophobicContact CB-CB 4.26Å; K202-P271 HydrophobicContact CB-CB 3.84Å; K202-P271 HydrophobicContact CB-CG 4.2Å; K202-Y293 WeakPolarHBondContact CE-O 3.15Å; K202-Y293 PolarHBondContact NZ-O 3.49Å; K202-S296 WeakPolarHBondContact CD-O 3.32Å; K202-S296 PolarHBondContact NZ-O 3.07Å; K202-S296 PolarHBondContact NZ-OG 3.18Å |
| 203 | R | 96.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 147.7 | 176.1 | 66 | 174.8 | 176.6 | -176.8 | -12.9 | 111 | E155 F178 Y179 D180 S183 D261 P262 R263 Q264 I265 | E155-R203 IonicContact OE1-NH1 2.78Å; E155-R203 PolarHBondContact OE1-NH1 2.95Å; F178-R203 WeakPolarHBondContact O-CD 3.26Å; F178-R203 PolarHBondContact O-NH1 3.3Å; Y179-R203 VanDerWaalsContact CZ-NH1 3.27Å; Y179-R203 PolarHBondContact OH-NH1 2.92Å; D180-R203 WeakPolarHBondContact OD1-CA 3.1Å; S183-R203 WeakPolarHBondContact OG-CA 3.47Å; S183-R203 WeakPolarHBondContact OG-CB 3.25Å; R203-D261 PolarHBondContact NH2-O 3.28Å; R203-P262 VanDerWaalsContact CG-O 3.23Å; R203-P262 WeakPolarHBondContact CG-O 3.38Å; R203-P262 PolarHBondContact NE-O 2.78Å; R203-R263 PolarHBondContact N-O 3.17Å; R203-R263 WeakPolarHBondContact O-CD 3.46Å; R203-R263 PolarHBondContact O-NH1 3.29Å; R203-Q264 WeakPolarHBondContact CD-O 3.45Å; R203-Q264 PolarHBondContact NE-O 3.01Å; R203-Q264 VanDerWaalsContact NE-O 3.12Å; R203-I265 HydrophobicContact CB-CG1 4.12Å |
| 204 | M | 96.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 59.8 Ų | 59.8 | 47% | 0.473 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -84.7 | 158.1 | 179.1 | -62.9 | -61.3 | 175.1 | 0 | 0 | 111.3 | F178 D180 | F178-M204 WeakPolarHBondContact CD1-O 3.35Å; D180-M204 HydrophobicContact CB-CB 4.16Å; D180-M204 PolarHBondContact OD1-N 3.43Å |
| 205 | L | 96.7 | Very high | 96.7 | Very high | 84 Ų | 84 | 61.7 Ų | 61.7 | 44% | 0.44 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 156.5 | 173 | -64.9 | 176.8 | 0 | 0 | 0 | 110.4 | ||
| 206 | P | 97.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.071 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 154.1 | 173 | 25.7 | -34.9 | 0 | 0 | 0 | 111.2 | F178 M210 V211 Y214 Y222 | F178-P206 HydrophobicContact CB-CB 4.27Å; F178-P206 HydrophobicContact CD1-CB 4.03Å; F178-P206 HydrophobicContact CD2-CB 4.11Å; F178-P206 HydrophobicContact CE1-CB 4.4Å; F178-P206 HydrophobicContact CE2-CB 4.48Å; F178-P206 HydrophobicContact CG-CB 3.86Å; P206-M210 HydrophobicContact CB-CB 3.94Å; P206-V211 HydrophobicContact CG-CG2 4.11Å; P206-Y214 HydrophobicContact CB-CD2 3.85Å; P206-Y214 HydrophobicContact CB-CE2 4.1Å; P206-Y214 HydrophobicContact CG-CD2 3.87Å; P206-Y222 VanDerWaalsContact CD-OH 3.23Å; P206-Y222 WeakPolarHBondContact CD-OH 3.36Å |
| 207 | G | 94.6 | Very high | 96.8 | Very high | 48 Ų | 48 | 56.5 Ų | 56.5 | 50% | 0.495 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 161.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D209 M210 V211 | G207-D209 VanDerWaalsContact C-N 3.26Å; G207-D209 PolarHBondContact O-N 3.17Å; G207-D209 VanDerWaalsContact O-N 3.16Å; G207-M210 PolarHBondContact O-N 3.08Å; G207-V211 PolarHBondContact O-N 3.33Å; G207-V211 VanDerWaalsContact O-N 3.16Å |
| 208 | E | 96.5 | Very high | 96.9 | Very high | 178 Ų | 178 | 56.4 Ų | 56.4 | 83% | 0.832 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -49.5 | -44 | -173.9 | -66.8 | 172.9 | -172.6 | 0 | 0 | 113 | M210 V211 P212 | E208-M210 PolarHBondContact O-N 3.43Å; E208-M210 VanDerWaalsContact O-N 3.14Å; E208-V211 PolarHBondContact O-N 3.27Å; E208-P212 VanDerWaalsContact O-CD 3.27Å; E208-P212 WeakPolarHBondContact O-CD 3.44Å |
| 209 | D | 94.4 | Very high | 96.9 | Very high | 158 Ų | 158 | 53.8 Ų | 53.8 | 85% | 0.845 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -56.2 | -31.9 | 178.6 | -58.4 | -21.7 | 0 | 0 | 0 | 113.6 | G207 | G207-D209 VanDerWaalsContact C-N 3.26Å; G207-D209 PolarHBondContact O-N 3.17Å; G207-D209 VanDerWaalsContact O-N 3.16Å |
| 210 | M | 95.9 | Very high | 97 | Very high | 62 Ų | 62 | 52 Ų | 52 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -103 | -11.4 | -173.8 | -73.3 | -72.6 | 179 | 0 | 0 | 113.2 | P206 G207 E208 Y213 Y214 | P206-M210 HydrophobicContact CB-CB 3.94Å; G207-M210 PolarHBondContact O-N 3.08Å; E208-M210 PolarHBondContact O-N 3.43Å; E208-M210 VanDerWaalsContact O-N 3.14Å; M210-Y213 WeakPolarHBondContact O-CB 3.36Å; M210-Y213 PolarHBondContact O-N 3.26Å; M210-Y214 HydrophobicContact CB-CD2 4.26Å; M210-Y214 HydrophobicContact CB-CE2 4.06Å; M210-Y214 VanDerWaalsContact O-CD2 3.24Å; M210-Y214 WeakPolarHBondContact O-CD2 3.22Å; M210-Y214 PolarHBondContact O-N 2.58Å |
| 211 | V | 96.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 52 Ų | 52 | 34% | 0.339 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.1 | -49.3 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | P206 G207 E208 Y213 Y214 T215 | P206-V211 HydrophobicContact CG-CG2 4.11Å; G207-V211 PolarHBondContact O-N 3.33Å; G207-V211 VanDerWaalsContact O-N 3.16Å; E208-V211 PolarHBondContact O-N 3.27Å; V211-Y213 PolarHBondContact O-N 2.99Å; V211-Y214 PolarHBondContact O-N 2.91Å; V211-Y214 VanDerWaalsContact O-N 3.14Å; V211-T215 HydrophobicContact CG1-CG2 3.94Å; V211-T215 WeakPolarHBondContact O-CG2 3.33Å; V211-T215 PolarHBondContact O-N 3.01Å; V211-T215 PolarHBondContact O-OG1 3.28Å |
| 212 | P | 97.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55 | -38.6 | 179.4 | -26.8 | 35.5 | 0 | 0 | 0 | 113.3 | E208 T215 D216 | E208-P212 VanDerWaalsContact O-CD 3.27Å; E208-P212 WeakPolarHBondContact O-CD 3.44Å; P212-T215 WeakPolarHBondContact CA-OG1 3.4Å; P212-T215 PolarHBondContact O-OG1 2.77Å; P212-T215 VanDerWaalsContact O-OG1 3.11Å; P212-D216 WeakPolarHBondContact O-CB 3.4Å; P212-D216 PolarHBondContact O-N 3.37Å; P212-D216 VanDerWaalsContact O-N 3.11Å |
| 213 | Y | 97.8 | Very high | 96.9 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 180 | -177.4 | -96.4 | 0 | 0 | 0 | 112.2 | M158 A159 T176 M210 V211 N219 | M158-Y213 WeakPolarHBondContact CA-OH 3.45Å; M158-Y213 HydrophobicContact CE-CD2 4.24Å; M158-Y213 HydrophobicContact CE-CE1 4.21Å; M158-Y213 HydrophobicContact CE-CE2 3.63Å; M158-Y213 HydrophobicContact CG-CE1 4.37Å; A159-Y213 PolarHBondContact N-OH 3.35Å; T176-Y213 HydrophobicContact CG2-CE1 4.42Å; M210-Y213 WeakPolarHBondContact O-CB 3.36Å; M210-Y213 PolarHBondContact O-N 3.26Å; V211-Y213 PolarHBondContact O-N 2.99Å; Y213-N219 HydrophobicContact CD2-CB 4.29Å; Y213-N219 VanDerWaalsContact CD2-ND2 3.26Å; Y213-N219 WeakPolarHBondContact CD2-ND2 3.3Å; Y213-N219 HydrophobicContact CE1-CB 4.26Å; Y213-N219 HydrophobicContact CE2-CB 3.86Å; Y213-N219 WeakPolarHBondContact CE2-ND2 3.39Å; Y213-N219 PolarHBondContact O-ND2 2.88Å |
| 214 | Y | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -84.5 | -12.5 | -176.6 | -66.7 | -71 | 0 | 0 | 0 | 114.2 | Q157 F178 P206 M210 V211 G221 Y222 L223 | Q157-Y214 PolarHBondContact O-OH 3.2Å; F178-Y214 HydrophobicContact CB-CD2 4.19Å; F178-Y214 HydrophobicContact CB-CE1 4.14Å; F178-Y214 HydrophobicContact CB-CE2 3.76Å; F178-Y214 AromaticContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CD2-CE2 3.89Å; F178-Y214 HydrophobicContact CG-CE2 4.18Å; P206-Y214 HydrophobicContact CB-CD2 3.85Å; P206-Y214 HydrophobicContact CB-CE2 4.1Å; P206-Y214 HydrophobicContact CG-CD2 3.87Å; M210-Y214 HydrophobicContact CB-CD2 4.26Å; M210-Y214 HydrophobicContact CB-CE2 4.06Å; M210-Y214 VanDerWaalsContact O-CD2 3.24Å; M210-Y214 WeakPolarHBondContact O-CD2 3.22Å; M210-Y214 PolarHBondContact O-N 2.58Å; V211-Y214 PolarHBondContact O-N 2.91Å; V211-Y214 VanDerWaalsContact O-N 3.14Å; Y214-G221 CarbonylContact O-C 3.26Å; Y214-G221 VanDerWaalsContact O-C 3.26Å; Y214-G221 WeakPolarHBondContact O-CA 3.4Å; Y214-Y222 AromaticContact CD1-CD1 3.84Å; Y214-Y222 HydrophobicContact CD1-CD1 3.84Å; Y214-Y222 AromaticContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CG-CD1 4.16Å; Y214-Y222 AromaticContact CG-CE1 3.82Å; Y214-Y222 HydrophobicContact CG-CE1 3.82Å; Y214-L223 PolarHBondContact O-N 3.34Å; Y214-L223 VanDerWaalsContact O-N 3.15Å |
| 215 | T | 97.6 | Very high | 97 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -90.5 | -15.8 | 169.7 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | V211 P212 L223 A224 | V211-T215 HydrophobicContact CG1-CG2 3.94Å; V211-T215 WeakPolarHBondContact O-CG2 3.33Å; V211-T215 PolarHBondContact O-N 3.01Å; V211-T215 PolarHBondContact O-OG1 3.28Å; P212-T215 WeakPolarHBondContact CA-OG1 3.4Å; P212-T215 PolarHBondContact O-OG1 2.77Å; P212-T215 VanDerWaalsContact O-OG1 3.11Å; T215-L223 HydrophobicContact CG2-CB 4.08Å; T215-A224 WeakPolarHBondContact O-CA 3.09Å; T215-A224 WeakPolarHBondContact O-CB 3.47Å |
| 216 | D | 97.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | trans | -78.1 | 130.8 | 179.5 | -171.2 | 4.7 | 0 | 0 | 0 | 111.7 | P212 A218 N219 G221 | P212-D216 WeakPolarHBondContact O-CB 3.4Å; P212-D216 PolarHBondContact O-N 3.37Å; P212-D216 VanDerWaalsContact O-N 3.11Å; D216-A218 VanDerWaalsContact C-N 3.32Å; D216-A218 PolarHBondContact OD1-N 3.32Å; D216-N219 PolarHBondContact O-N 3.08Å; D216-G221 PolarHBondContact O-N 3.16Å | ||
| 217 | A | 97.8 | Very high | 96.9 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -28.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N219 R220 A224 K228 I229 A232 | A217-N219 PolarHBondContact O-N 3.28Å; A217-R220 PolarHBondContact O-N 2.86Å; A217-R220 VanDerWaalsContact O-N 3.07Å; A217-A224 HydrophobicContact CB-CB 4.46Å; A217-K228 HydrophobicContact CB-CB 3.69Å; A217-I229 HydrophobicContact CB-CG1 4.04Å; A217-A232 HydrophobicContact CB-CB 4.29Å |
| 218 | A | 97.3 | Very high | 97 | Very high | 46 Ų | 46 | 64.1 Ų | 64.1 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | D216 R220 | D216-A218 VanDerWaalsContact C-N 3.32Å; D216-A218 PolarHBondContact OD1-N 3.32Å; A218-R220 VanDerWaalsContact C-N 3.31Å; A218-R220 WeakPolarHBondContact O-CD 3.49Å; A218-R220 PolarHBondContact O-N 3.26Å; A218-R220 PolarHBondContact O-NH1 3.44Å |
| 219 | N | 97.4 | Very high | 97 | Very high | 34 Ų | 34 | 56.7 Ų | 56.7 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 3.4 | 178.3 | -56.1 | -44.5 | 0 | 0 | 0 | 113.3 | T176 Y213 D216 A217 G221 | T176-N219 WeakPolarHBondContact CG2-O 3.44Å; T176-N219 PolarHBondContact OG1-O 3.1Å; Y213-N219 HydrophobicContact CD2-CB 4.29Å; Y213-N219 VanDerWaalsContact CD2-ND2 3.26Å; Y213-N219 WeakPolarHBondContact CD2-ND2 3.3Å; Y213-N219 HydrophobicContact CE1-CB 4.26Å; Y213-N219 HydrophobicContact CE2-CB 3.86Å; Y213-N219 WeakPolarHBondContact CE2-ND2 3.39Å; Y213-N219 PolarHBondContact O-ND2 2.88Å; D216-N219 PolarHBondContact O-N 3.08Å; A217-N219 PolarHBondContact O-N 3.28Å; N219-G221 PolarHBondContact O-N 3Å |
| 220 | R | 97.9 | Very high | 97 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 4% | 0.038 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 41.3 | -173.7 | -73.2 | 57.5 | 175.2 | 175.3 | 2 | 111.5 | I164 E168 V174 T176 A217 A218 I229 L236 | I164-R220 HydrophobicContact CG2-CG 4.46Å; I164-R220 VanDerWaalsContact CG2-NE 3.27Å; E168-R220 VanDerWaalsContact CD-NH2 3.28Å; E168-R220 IonicContact OE1-CZ 2.95Å; E168-R220 VanDerWaalsContact OE1-CZ 3.3Å; E168-R220 IonicContact OE1-NE 2.69Å; E168-R220 PolarHBondContact OE1-NE 3.49Å; E168-R220 IonicContact OE1-NH2 2.77Å; E168-R220 PolarHBondContact OE1-NH2 3.28Å; E168-R220 IonicContact OE2-CZ 2.79Å; E168-R220 IonicContact OE2-NH2 2.78Å; E168-R220 PolarHBondContact OE2-NH2 3.25Å; V174-R220 WeakPolarHBondContact O-CB 3.38Å; V174-R220 WeakPolarHBondContact O-CG 3.44Å; T176-R220 PolarHBondContact N-O 2.69Å; T176-R220 PolarHBondContact OG1-O 2.72Å; A217-R220 PolarHBondContact O-N 2.86Å; A217-R220 VanDerWaalsContact O-N 3.07Å; A218-R220 VanDerWaalsContact C-N 3.31Å; A218-R220 WeakPolarHBondContact O-CD 3.49Å; A218-R220 PolarHBondContact O-N 3.26Å; A218-R220 PolarHBondContact O-NH1 3.44Å; R220-I229 HydrophobicContact CG-CG2 4.46Å; R220-L236 VanDerWaalsContact NH2-CD1 3.35Å |
| 221 | G | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -56.3 | 135.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T176 Y214 D216 N219 L223 A224 | T176-G221 VanDerWaalsContact OG1-CA 3.26Å; T176-G221 WeakPolarHBondContact OG1-CA 3.28Å; T176-G221 PolarHBondContact OG1-N 2.88Å; Y214-G221 CarbonylContact O-C 3.26Å; Y214-G221 VanDerWaalsContact O-C 3.26Å; Y214-G221 WeakPolarHBondContact O-CA 3.4Å; D216-G221 PolarHBondContact O-N 3.16Å; N219-G221 PolarHBondContact O-N 3Å; G221-L223 PolarHBondContact O-N 2.85Å; G221-A224 WeakPolarHBondContact O-CB 3.44Å; G221-A224 PolarHBondContact O-N 2.89Å; G221-A224 VanDerWaalsContact O-N 3.09Å |
| 222 | Y | 96.9 | Very high | 97.1 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.7 | 179.8 | 77.1 | -69.1 | 0 | 0 | 0 | 114.2 | T176 F178 P206 Y214 R259 P262 | T176-Y222 VanDerWaalsContact O-CB 3.3Å; T176-Y222 WeakPolarHBondContact O-CB 3.49Å; T176-Y222 VanDerWaalsContact O-CD1 3.24Å; T176-Y222 WeakPolarHBondContact O-CD1 3.45Å; T176-Y222 PolarHBondContact O-N 3.23Å; F178-Y222 HydrophobicContact CB-CE1 4.08Å; P206-Y222 VanDerWaalsContact CD-OH 3.23Å; P206-Y222 WeakPolarHBondContact CD-OH 3.36Å; Y214-Y222 AromaticContact CD1-CD1 3.84Å; Y214-Y222 HydrophobicContact CD1-CD1 3.84Å; Y214-Y222 AromaticContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CD1-CE1 3.86Å; Y214-Y222 HydrophobicContact CG-CD1 4.16Å; Y214-Y222 AromaticContact CG-CE1 3.82Å; Y214-Y222 HydrophobicContact CG-CE1 3.82Å; Y222-R259 VanDerWaalsContact CA-NH2 3.29Å; Y222-R259 PolarHBondContact O-NH2 3.29Å; Y222-R259 VanDerWaalsContact O-NH2 3.12Å; Y222-P262 HydrophobicContact CD2-CB 4.1Å; Y222-P262 HydrophobicContact CD2-CG 4.24Å; Y222-P262 HydrophobicContact CE2-CB 3.74Å; Y222-P262 HydrophobicContact CE2-CG 4.33Å |
| 223 | L | 97.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 31% | 0.314 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 2.5 | 176.7 | -60 | 174.1 | 0 | 0 | 0 | 112.9 | Y214 T215 G221 P262 | Y214-L223 PolarHBondContact O-N 3.34Å; Y214-L223 VanDerWaalsContact O-N 3.15Å; T215-L223 HydrophobicContact CG2-CB 4.08Å; G221-L223 PolarHBondContact O-N 2.85Å; L223-P262 HydrophobicContact CD2-CB 4.07Å; L223-P262 HydrophobicContact CD2-CG 4.08Å |
| 224 | A | 97 | Very high | 97 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -79 | 151.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T215 A217 G221 P226 I229 | T215-A224 WeakPolarHBondContact O-CA 3.09Å; T215-A224 WeakPolarHBondContact O-CB 3.47Å; A217-A224 HydrophobicContact CB-CB 4.46Å; G221-A224 WeakPolarHBondContact O-CB 3.44Å; G221-A224 PolarHBondContact O-N 2.89Å; G221-A224 VanDerWaalsContact O-N 3.09Å; A224-P226 WeakPolarHBondContact O-CD 3.39Å; A224-I229 HydrophobicContact CB-CD1 4.13Å; A224-I229 HydrophobicContact CB-CG1 4.13Å |
| 225 | D | 97 | Very high | 97 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | trans | -62.3 | 124.6 | 176.8 | -61.4 | -37.7 | 0 | 0 | 0 | 110.8 | E227 K228 I229 | D225-E227 VanDerWaalsContact C-N 3.27Å; D225-E227 PolarHBondContact O-N 3.05Å; D225-K228 HydrophobicContact CB-CB 4.24Å; D225-K228 HydrophobicContact CB-CD 4.02Å; D225-K228 HydrophobicContact CB-CG 4.05Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD2-CD 3.44Å; D225-K228 VanDerWaalsContact OD2-CE 3.23Å; D225-K228 WeakPolarHBondContact OD2-CE 3.29Å; D225-K228 IonicContact OD2-NZ 2.87Å; D225-K228 PolarHBondContact OD2-NZ 3.27Å; D225-I229 PolarHBondContact O-N 3.28Å; D225-I229 VanDerWaalsContact O-N 3.13Å | ||
| 226 | P | 95.2 | Very high | 97 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.2 | -37.1 | -177.1 | -27.9 | 35 | 0 | 0 | 0 | 114.3 | A224 I229 Q230 | A224-P226 WeakPolarHBondContact O-CD 3.39Å; P226-I229 WeakPolarHBondContact O-CB 3.47Å; P226-I229 PolarHBondContact O-N 2.56Å; P226-Q230 PolarHBondContact O-N 3.46Å |
| 227 | E | 96.1 | Very high | 97 | Very high | 152 Ų | 152 | 51.3 Ų | 51.3 | 71% | 0.71 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 178.4 | -63.2 | -175 | 177.8 | 0 | 0 | 112.6 | D225 I229 Q230 K231 | D225-E227 VanDerWaalsContact C-N 3.27Å; D225-E227 PolarHBondContact O-N 3.05Å; E227-I229 VanDerWaalsContact C-N 3.34Å; E227-Q230 PolarHBondContact O-N 2.97Å; E227-K231 PolarHBondContact O-N 3.01Å |
| 228 | K | 97.4 | Very high | 96.9 | Very high | 116 Ų | 116 | 58.1 Ų | 58.1 | 50% | 0.504 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 177.2 | -68 | 180 | -175.8 | 154.8 | 0 | 110.9 | A217 D225 Q230 K231 A232 | A217-K228 HydrophobicContact CB-CB 3.69Å; D225-K228 HydrophobicContact CB-CB 4.24Å; D225-K228 HydrophobicContact CB-CD 4.02Å; D225-K228 HydrophobicContact CB-CG 4.05Å; D225-K228 PolarHBondContact O-N 3.07Å; D225-K228 WeakPolarHBondContact OD2-CD 3.44Å; D225-K228 VanDerWaalsContact OD2-CE 3.23Å; D225-K228 WeakPolarHBondContact OD2-CE 3.29Å; D225-K228 IonicContact OD2-NZ 2.87Å; D225-K228 PolarHBondContact OD2-NZ 3.27Å; K228-Q230 VanDerWaalsContact C-N 3.32Å; K228-Q230 PolarHBondContact O-N 3.41Å; K228-K231 PolarHBondContact O-N 3.14Å; K228-A232 WeakPolarHBondContact O-CB 3.23Å; K228-A232 PolarHBondContact O-N 3.25Å |
| 229 | I | 96.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 172.7 | -62.9 | 172.7 | 0 | 0 | 0 | 109.4 | A217 R220 A224 D225 P226 E227 K231 A232 R233 | A217-I229 HydrophobicContact CB-CG1 4.04Å; R220-I229 HydrophobicContact CG-CG2 4.46Å; A224-I229 HydrophobicContact CB-CD1 4.13Å; A224-I229 HydrophobicContact CB-CG1 4.13Å; D225-I229 PolarHBondContact O-N 3.28Å; D225-I229 VanDerWaalsContact O-N 3.13Å; P226-I229 WeakPolarHBondContact O-CB 3.47Å; P226-I229 PolarHBondContact O-N 2.56Å; E227-I229 VanDerWaalsContact C-N 3.34Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.14Å; I229-A232 WeakPolarHBondContact O-CB 3.44Å; I229-A232 PolarHBondContact O-N 2.84Å; I229-A232 VanDerWaalsContact O-N 3.08Å; I229-R233 HydrophobicContact CG2-CG 4.45Å; I229-R233 WeakPolarHBondContact O-CG 3.45Å; I229-R233 PolarHBondContact O-N 3.33Å |
| 230 | Q | 94.9 | Very high | 96.9 | Very high | 93 Ų | 93 | 64 Ų | 64 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 179.8 | -169.5 | 62 | 13.5 | 0 | 0 | 112.7 | P226 E227 K228 R233 I234 | P226-Q230 PolarHBondContact O-N 3.46Å; E227-Q230 PolarHBondContact O-N 2.97Å; K228-Q230 VanDerWaalsContact C-N 3.32Å; K228-Q230 PolarHBondContact O-N 3.41Å; Q230-R233 PolarHBondContact O-N 2.93Å; Q230-I234 WeakPolarHBondContact O-CG1 3.12Å; Q230-I234 PolarHBondContact O-N 3.25Å |
| 231 | K | 97 | Very high | 96.8 | Very high | 143 Ų | 143 | 66.8 Ų | 66.8 | 62% | 0.622 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 173.3 | -67.6 | 175.9 | -175.8 | 175 | 0 | 112 | E227 K228 I229 R233 I234 A235 | E227-K231 PolarHBondContact O-N 3.01Å; K228-K231 PolarHBondContact O-N 3.14Å; I229-K231 VanDerWaalsContact C-N 3.32Å; I229-K231 PolarHBondContact O-N 3.14Å; K231-R233 VanDerWaalsContact C-N 3.31Å; K231-R233 PolarHBondContact O-N 3.33Å; K231-I234 PolarHBondContact O-N 3.17Å; K231-A235 PolarHBondContact O-N 3.18Å |
| 232 | A | 97.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 68 Ų | 68 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A217 K228 I229 A235 L236 | A217-A232 HydrophobicContact CB-CB 4.29Å; K228-A232 WeakPolarHBondContact O-CB 3.23Å; K228-A232 PolarHBondContact O-N 3.25Å; I229-A232 WeakPolarHBondContact O-CB 3.44Å; I229-A232 PolarHBondContact O-N 2.84Å; I229-A232 VanDerWaalsContact O-N 3.08Å; A232-A235 PolarHBondContact O-N 3.01Å; A232-L236 WeakPolarHBondContact O-CB 3.42Å; A232-L236 PolarHBondContact O-N 3.11Å |
| 233 | R | 96.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 8% | 0.083 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 173.9 | -65.4 | -177.4 | 70.3 | 175 | 7.3 | 112.3 | E168 I229 Q230 K231 L236 A237 L244 | E168-R233 IonicContact OE1-NE 2.92Å; E168-R233 WeakPolarHBondContact OE2-CG 3.1Å; E168-R233 IonicContact OE2-NE 2.62Å; I229-R233 HydrophobicContact CG2-CG 4.45Å; I229-R233 WeakPolarHBondContact O-CG 3.45Å; I229-R233 PolarHBondContact O-N 3.33Å; Q230-R233 PolarHBondContact O-N 2.93Å; K231-R233 VanDerWaalsContact C-N 3.31Å; K231-R233 PolarHBondContact O-N 3.33Å; R233-L236 PolarHBondContact O-N 3.29Å; R233-A237 WeakPolarHBondContact O-CB 3.47Å; R233-A237 PolarHBondContact O-N 2.73Å; R233-L244 HydrophobicContact CB-CD1 4.37Å; R233-L244 HydrophobicContact CB-CD2 3.95Å |
| 234 | I | 96.9 | Very high | 96.7 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 40% | 0.395 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 177.1 | -63.6 | 166.7 | 0 | 0 | 0 | 110.3 | Q230 K231 L236 A237 Q238 L244 | Q230-I234 WeakPolarHBondContact O-CG1 3.12Å; Q230-I234 PolarHBondContact O-N 3.25Å; K231-I234 PolarHBondContact O-N 3.17Å; I234-L236 VanDerWaalsContact C-N 3.33Å; I234-L236 PolarHBondContact O-N 3.31Å; I234-A237 PolarHBondContact O-N 3.16Å; I234-Q238 WeakPolarHBondContact O-CG 3.44Å; I234-Q238 PolarHBondContact O-N 3.03Å; I234-L244 HydrophobicContact CG1-CD2 4.22Å |
| 235 | A | 97.4 | Very high | 96.6 | Very high | 53 Ų | 53 | 74.4 Ų | 74.4 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K231 A232 Q238 K239 | K231-A235 PolarHBondContact O-N 3.18Å; A232-A235 PolarHBondContact O-N 3.01Å; A235-Q238 PolarHBondContact O-N 3.5Å; A235-K239 WeakPolarHBondContact O-CB 3.36Å; A235-K239 PolarHBondContact O-N 3.21Å |
| 236 | L | 97.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 177.6 | -160.6 | 158.7 | 0 | 0 | 0 | 111 | E161 I164 A165 R220 A232 R233 I234 Q238 K239 Y240 Y242 | E161-L236 HydrophobicContact CG-CD1 3.88Å; E161-L236 HydrophobicContact CG-CG 4.5Å; I164-L236 HydrophobicContact CB-CD1 4.45Å; I164-L236 HydrophobicContact CG2-CD1 4.17Å; A165-L236 VanDerWaalsContact CA-CD2 3.46Å; A165-L236 HydrophobicContact CB-CD2 3.32Å; R220-L236 VanDerWaalsContact NH2-CD1 3.35Å; A232-L236 WeakPolarHBondContact O-CB 3.42Å; A232-L236 PolarHBondContact O-N 3.11Å; R233-L236 PolarHBondContact O-N 3.29Å; I234-L236 VanDerWaalsContact C-N 3.33Å; I234-L236 PolarHBondContact O-N 3.31Å; L236-Q238 VanDerWaalsContact C-N 3.3Å; L236-Q238 PolarHBondContact O-N 3.2Å; L236-K239 PolarHBondContact O-N 3.08Å; L236-K239 VanDerWaalsContact O-N 3.12Å; L236-Y240 HydrophobicContact CD2-CD2 3.41Å; L236-Y240 VanDerWaalsContact CD2-CD2 3.41Å; L236-Y240 HydrophobicContact CD2-CE2 3.88Å; L236-Y240 HydrophobicContact CD2-CG 4.27Å; L236-Y240 HydrophobicContact CG-CD2 3.87Å; L236-Y240 HydrophobicContact CG-CE2 4.03Å; L236-Y240 PolarHBondContact O-N 3.4Å; L236-Y242 HydrophobicContact CD2-CE1 3.85Å; L236-Y242 VanDerWaalsContact CD2-OH 3.27Å; L236-Y242 WeakPolarHBondContact CD2-OH 3.23Å |
| 237 | A | 97.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R233 I234 G241 Y242 L244 | R233-A237 WeakPolarHBondContact O-CB 3.47Å; R233-A237 PolarHBondContact O-N 2.73Å; I234-A237 PolarHBondContact O-N 3.16Å; A237-G241 PolarHBondContact O-N 3.3Å; A237-Y242 HydrophobicContact CB-CD2 4.14Å; A237-Y242 HydrophobicContact CB-CE1 4.35Å; A237-Y242 HydrophobicContact CB-CE2 3.76Å; A237-Y242 WeakPolarHBondContact CB-O 3.46Å; A237-Y242 PolarHBondContact O-N 2.76Å; A237-L244 HydrophobicContact CB-CB 4.1Å |
| 238 | Q | 97.3 | Very high | 96.1 | Very high | 153 Ų | 153 | 66.6 Ų | 66.6 | 72% | 0.715 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 173.3 | -71.1 | 173.9 | -7.2 | 0 | 0 | 112.2 | I234 A235 L236 | I234-Q238 WeakPolarHBondContact O-CG 3.44Å; I234-Q238 PolarHBondContact O-N 3.03Å; A235-Q238 PolarHBondContact O-N 3.5Å; L236-Q238 VanDerWaalsContact C-N 3.3Å; L236-Q238 PolarHBondContact O-N 3.2Å |
| 239 | K | 97.6 | Very high | 95.8 | Very high | 132 Ų | 132 | 69.3 Ų | 69.3 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.4 | -45.3 | 180 | 179.6 | 179 | 172.2 | -178.7 | 0 | 113.1 | E161 A235 L236 | E161-K239 VanDerWaalsContact OE1-CD 3.27Å; E161-K239 WeakPolarHBondContact OE1-CD 3.43Å; E161-K239 WeakPolarHBondContact OE1-CE 3.45Å; E161-K239 IonicContact OE1-NZ 3.37Å; E161-K239 PolarHBondContact OE1-NZ 2.7Å; E161-K239 IonicContact OE2-NZ 2.89Å; E161-K239 PolarHBondContact OE2-NZ 3.01Å; A235-K239 WeakPolarHBondContact O-CB 3.36Å; A235-K239 PolarHBondContact O-N 3.21Å; L236-K239 PolarHBondContact O-N 3.08Å; L236-K239 VanDerWaalsContact O-N 3.12Å |
| 240 | Y | 96.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 28% | 0.282 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -93.6 | 4.9 | -177.4 | -74.4 | -89.9 | 0 | 0 | 0 | 113.7 | E161 A165 R169 L236 | E161-Y240 HydrophobicContact CG-CE2 3.92Å; A165-Y240 HydrophobicContact CB-CD1 4.22Å; A165-Y240 HydrophobicContact CB-CD2 3.93Å; A165-Y240 HydrophobicContact CB-CE1 4.43Å; A165-Y240 HydrophobicContact CB-CE2 4.15Å; A165-Y240 HydrophobicContact CB-CG 3.96Å; R169-Y240 PolarHBondContact NH2-O 3.07Å; L236-Y240 HydrophobicContact CD2-CD2 3.41Å; L236-Y240 VanDerWaalsContact CD2-CD2 3.41Å; L236-Y240 HydrophobicContact CD2-CE2 3.88Å; L236-Y240 HydrophobicContact CD2-CG 4.27Å; L236-Y240 HydrophobicContact CG-CD2 3.87Å; L236-Y240 HydrophobicContact CG-CE2 4.03Å; L236-Y240 PolarHBondContact O-N 3.4Å |
| 241 | G | 96.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 75.2 Ų | 75.2 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 44.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A237 | A237-G241 PolarHBondContact O-N 3.3Š|
| 242 | Y | 96.6 | Very high | 95.4 | Very high | 25 Ų | 25 | 71.7 Ų | 71.7 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | trans | -126.8 | 153.2 | 172.4 | 67.2 | -90.4 | 0 | 0 | 0 | 111.9 | A165 R169 L236 A237 L244 | A165-Y242 HydrophobicContact CB-CE1 4.24Å; R169-Y242 HydrophobicContact CB-CD1 4.31Å; R169-Y242 HydrophobicContact CB-CD2 3.81Å; R169-Y242 HydrophobicContact CB-CE1 4.47Å; R169-Y242 HydrophobicContact CB-CE2 4.01Å; R169-Y242 HydrophobicContact CB-CG 3.98Å; R169-Y242 HydrophobicContact CG-CD2 4.05Å; R169-Y242 HydrophobicContact CG-CG 3.97Å; L236-Y242 HydrophobicContact CD2-CE1 3.85Å; L236-Y242 VanDerWaalsContact CD2-OH 3.27Å; L236-Y242 WeakPolarHBondContact CD2-OH 3.23Å; A237-Y242 HydrophobicContact CB-CD2 4.14Å; A237-Y242 HydrophobicContact CB-CE1 4.35Å; A237-Y242 HydrophobicContact CB-CE2 3.76Å; A237-Y242 WeakPolarHBondContact CB-O 3.46Å; A237-Y242 PolarHBondContact O-N 2.76Å; Y242-L244 HydrophobicContact CE2-CD1 4.18Å | ||
| 243 | V | 95.9 | Very high | 95.2 | Very high | 133 Ų | 133 | 74 Ų | 74 | 81% | 0.806 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -81 | 123.4 | 173.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | P245 | V243-P245 VanDerWaalsContact O-CD 3.3Å; V243-P245 WeakPolarHBondContact O-CD 3.29Å |
| 244 | L | 95.1 | Very high | 95 | Very high | 39 Ų | 39 | 80 Ų | 80 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 118.7 | 178.1 | -173.2 | 69.6 | 0 | 0 | 0 | 109.4 | R233 I234 A237 Y242 | R233-L244 HydrophobicContact CB-CD1 4.37Å; R233-L244 HydrophobicContact CB-CD2 3.95Å; I234-L244 HydrophobicContact CG1-CD2 4.22Å; A237-L244 HydrophobicContact CB-CB 4.1Å; Y242-L244 HydrophobicContact CE2-CD1 4.18Å |
| 245 | P | 94.9 | Very high | 94.9 | Very high | 47 Ų | 47 | 77.1 Ų | 77.1 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 141.6 | 177.1 | 28.3 | -34.8 | 0 | 0 | 0 | 111 | G171 V243 I247 | G171-P245 VanDerWaalsContact CA-CG 3.42Å; V243-P245 VanDerWaalsContact O-CD 3.3Å; V243-P245 WeakPolarHBondContact O-CD 3.29Å; P245-I247 PolarHBondContact O-N 2.82Å |
| 246 | D | 93.6 | Very high | 94.7 | Very high | 84 Ų | 84 | 74.6 Ų | 74.6 | 45% | 0.449 | 39% | 0.387 | S | S | . | . | trans | -80.7 | 102.9 | 176.2 | -175.6 | 3 | 0 | 0 | 0 | 110.1 | S248 K249 | D246-S248 VanDerWaalsContact C-N 3.25Å; D246-S248 VanDerWaalsContact CG-OG 3.31Å; D246-S248 PolarHBondContact O-N 3.16Å; D246-S248 WeakPolarHBondContact OD1-CB 3.42Å; D246-S248 PolarHBondContact OD1-N 3.16Å; D246-S248 PolarHBondContact OD1-OG 2.9Å; D246-S248 PolarHBondContact OD2-OG 2.89Å; D246-K249 HydrophobicContact CB-CD 4.45Å; D246-K249 WeakPolarHBondContact OD2-CD 3.24Å; D246-K249 WeakPolarHBondContact OD2-CE 3.45Å; D246-K249 IonicContact OD2-NZ 3.11Å; D246-K249 PolarHBondContact OD2-NZ 3.14Å; D246-K249 VanDerWaalsContact OD2-NZ 3.11Å | ||
| 247 | I | 92.3 | Very high | 94.5 | Very high | 14 Ų | 14 | 81 Ų | 81 | 7% | 0.072 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -72.8 | -21.2 | -175.1 | -55 | 166.4 | 0 | 0 | 0 | 111.3 | I173 P245 K249 D250 F253 L256 | I173-I247 HydrophobicContact CD1-CD1 4.01Å; I173-I247 HydrophobicContact CG1-CD1 3.83Å; P245-I247 PolarHBondContact O-N 2.82Å; I247-K249 PolarHBondContact O-N 3.26Å; I247-D250 VanDerWaalsContact O-CB 3.27Å; I247-D250 WeakPolarHBondContact O-CB 3.46Å; I247-D250 PolarHBondContact O-N 2.67Å; I247-D250 VanDerWaalsContact O-N 3.11Å; I247-F253 HydrophobicContact CG2-CD2 4.13Å; I247-F253 WeakPolarHBondContact O-CD2 3.47Å; I247-L256 HydrophobicContact CG2-CB 4.18Å; I247-L256 HydrophobicContact CG2-CD1 3.47Å; I247-L256 VanDerWaalsContact CG2-CD1 3.47Å; I247-L256 HydrophobicContact CG2-CG 4.48Å |
| 248 | S | 92.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 85.3 Ų | 85.3 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -63 | -25.4 | -178.3 | 68.2 | 0 | 0 | 0 | 0 | 113.6 | D246 D250 | D246-S248 VanDerWaalsContact C-N 3.25Å; D246-S248 VanDerWaalsContact CG-OG 3.31Å; D246-S248 PolarHBondContact O-N 3.16Å; D246-S248 WeakPolarHBondContact OD1-CB 3.42Å; D246-S248 PolarHBondContact OD1-N 3.16Å; D246-S248 PolarHBondContact OD1-OG 2.9Å; D246-S248 PolarHBondContact OD2-OG 2.89Å; S248-D250 VanDerWaalsContact C-N 3.34Å |
| 249 | K | 92.5 | Very high | 94.2 | Very high | 173 Ų | 173 | 82.6 Ų | 82.6 | 75% | 0.752 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -88.6 | -3.1 | -179.3 | -64.5 | 174.1 | -178 | 156.7 | 0 | 113.4 | D246 I247 | D246-K249 HydrophobicContact CB-CD 4.45Å; D246-K249 WeakPolarHBondContact OD2-CD 3.24Å; D246-K249 WeakPolarHBondContact OD2-CE 3.45Å; D246-K249 IonicContact OD2-NZ 3.11Å; D246-K249 PolarHBondContact OD2-NZ 3.14Å; D246-K249 VanDerWaalsContact OD2-NZ 3.11Å; I247-K249 PolarHBondContact O-N 3.26Å |
| 250 | D | 92.4 | Very high | 94.1 | Very high | 46 Ų | 46 | 76.9 Ų | 76.9 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -85.3 | 146.7 | -175.2 | -173.6 | 51.2 | 0 | 0 | 0 | 112.4 | K151 I247 S248 L252 F253 L256 | K151-D250 WeakPolarHBondContact CE-OD2 3.47Å; K151-D250 IonicContact NZ-OD1 2.98Å; K151-D250 PolarHBondContact NZ-OD1 3.02Å; K151-D250 IonicContact NZ-OD2 3.3Å; K151-D250 PolarHBondContact NZ-OD2 3.2Å; I247-D250 VanDerWaalsContact O-CB 3.27Å; I247-D250 WeakPolarHBondContact O-CB 3.46Å; I247-D250 PolarHBondContact O-N 2.67Å; I247-D250 VanDerWaalsContact O-N 3.11Å; S248-D250 VanDerWaalsContact C-N 3.34Å; D250-L252 VanDerWaalsContact C-N 3.26Å; D250-L252 PolarHBondContact O-N 2.84Å; D250-L252 PolarHBondContact OD2-N 3.12Å; D250-F253 VanDerWaalsContact O-CB 3.23Å; D250-F253 WeakPolarHBondContact O-CB 3.39Å; D250-F253 PolarHBondContact O-N 3.28Å; D250-L256 WeakPolarHBondContact OD2-CD1 3.44Å |
| 251 | E | 92.6 | Very high | 94 | Very high | 193 Ų | 193 | 78.6 Ų | 78.6 | 90% | 0.902 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -33.5 | 177.9 | -62.7 | 178.2 | -176.8 | 0 | 0 | 111.9 | F253 | E251-F253 VanDerWaalsContact C-N 3.28Å; E251-F253 PolarHBondContact O-N 3.38Å |
| 252 | L | 93.4 | Very high | 94 | Very high | 69 Ų | 69 | 77.8 Ų | 77.8 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 11.7 | 179.6 | -60.9 | 178.2 | 0 | 0 | 0 | 113.6 | D250 H254 M255 L256 | D250-L252 VanDerWaalsContact C-N 3.26Å; D250-L252 PolarHBondContact O-N 2.84Å; D250-L252 PolarHBondContact OD2-N 3.12Å; L252-H254 VanDerWaalsContact C-N 3.29Å; L252-H254 PolarHBondContact O-N 3.31Å; L252-M255 HydrophobicContact CB-CE 4.25Å; L252-M255 HydrophobicContact CD1-CE 4.27Å; L252-M255 PolarHBondContact O-N 3.27Å; L252-L256 HydrophobicContact CB-CD1 4.36Å; L252-L256 HydrophobicContact CB-CG 4.43Å; L252-L256 WeakPolarHBondContact O-CG 3.26Å; L252-L256 PolarHBondContact O-N 2.98Å |
| 253 | F | 93.4 | Very high | 94 | Very high | 67 Ų | 67 | 79.6 Ų | 79.6 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -50.7 | -46 | -176.8 | 172.9 | -109.9 | 0 | 0 | 0 | 113.2 | I247 D250 E251 M255 L256 F257 | I247-F253 HydrophobicContact CG2-CD2 4.13Å; I247-F253 WeakPolarHBondContact O-CD2 3.47Å; D250-F253 VanDerWaalsContact O-CB 3.23Å; D250-F253 WeakPolarHBondContact O-CB 3.39Å; D250-F253 PolarHBondContact O-N 3.28Å; E251-F253 VanDerWaalsContact C-N 3.28Å; E251-F253 PolarHBondContact O-N 3.38Å; F253-M255 VanDerWaalsContact C-N 3.33Å; F253-M255 PolarHBondContact O-N 2.72Å; F253-L256 PolarHBondContact O-N 3.15Å; F253-F257 HydrophobicContact CE2-CD2 4.5Å; F253-F257 HydrophobicContact CZ-CD2 4.42Å; F253-F257 WeakPolarHBondContact O-CB 3.4Å; F253-F257 PolarHBondContact O-N 3.32Å |
| 254 | H | 93.4 | Very high | 94 | Very high | 148 Ų | 148 | 74.2 Ų | 74.2 | 69% | 0.685 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61 | -41 | -180 | -71.3 | -11 | 0 | 0 | 0 | 112.6 | L252 M258 | L252-H254 VanDerWaalsContact C-N 3.29Å; L252-H254 PolarHBondContact O-N 3.31Å; H254-M258 VanDerWaalsContact O-CG 3.24Å; H254-M258 WeakPolarHBondContact O-CG 3.46Å; H254-M258 PolarHBondContact O-N 2.83Å |
| 255 | M | 94.2 | Very high | 94.1 | Very high | 17 Ų | 17 | 72.4 Ų | 72.4 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.1 | -179 | -84.2 | -65.5 | 0 | 0 | 111.7 | P112 T113 P115 N153 L252 F253 F257 M258 | P112-M255 WeakPolarHBondContact O-CE 3.49Å; T113-M255 WeakPolarHBondContact O-CG 3.33Å; P115-M255 HydrophobicContact CG-CG 4.22Å; P115-M255 HydrophobicContact CG-SD 4.32Å; N153-M255 HydrophobicContact CB-SD 3.89Å; N153-M255 PolarHBondContact ND2-O 3.3Å; L252-M255 HydrophobicContact CB-CE 4.25Å; L252-M255 HydrophobicContact CD1-CE 4.27Å; L252-M255 PolarHBondContact O-N 3.27Å; F253-M255 VanDerWaalsContact C-N 3.33Å; F253-M255 PolarHBondContact O-N 2.72Å; M255-F257 VanDerWaalsContact C-N 3.27Å; M255-F257 PolarHBondContact O-N 2.8Å; M255-M258 WeakPolarHBondContact O-CB 3.02Å; M255-M258 PolarHBondContact O-N 3.04Å |
| 256 | L | 93.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -34.6 | 179.6 | -65.7 | 171.2 | 0 | 0 | 0 | 111.8 | N153 I173 I247 D250 L252 F253 M258 | N153-L256 HydrophobicContact CB-CD2 3.95Å; N153-L256 PolarHBondContact ND2-O 3.33Å; N153-L256 VanDerWaalsContact ND2-O 3.15Å; I173-L256 HydrophobicContact CD1-CB 3.99Å; I173-L256 WeakPolarHBondContact CD1-O 3.38Å; I247-L256 HydrophobicContact CG2-CB 4.18Å; I247-L256 HydrophobicContact CG2-CD1 3.47Å; I247-L256 VanDerWaalsContact CG2-CD1 3.47Å; I247-L256 HydrophobicContact CG2-CG 4.48Å; D250-L256 WeakPolarHBondContact OD2-CD1 3.44Å; L252-L256 HydrophobicContact CB-CD1 4.36Å; L252-L256 HydrophobicContact CB-CG 4.43Å; L252-L256 WeakPolarHBondContact O-CG 3.26Å; L252-L256 PolarHBondContact O-N 2.98Å; F253-L256 PolarHBondContact O-N 3.15Å; L256-M258 VanDerWaalsContact C-N 3.35Å |
| 257 | F | 92.4 | Very high | 94.2 | Very high | 140 Ų | 140 | 70.2 Ų | 70.2 | 61% | 0.614 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -79.4 | -14.5 | 177.8 | -162.5 | -100.1 | 0 | 0 | 0 | 113.7 | F253 M255 R259 | F253-F257 HydrophobicContact CE2-CD2 4.5Å; F253-F257 HydrophobicContact CZ-CD2 4.42Å; F253-F257 WeakPolarHBondContact O-CB 3.4Å; F253-F257 PolarHBondContact O-N 3.32Å; M255-F257 VanDerWaalsContact C-N 3.27Å; M255-F257 PolarHBondContact O-N 2.8Å; F257-R259 PolarHBondContact O-N 3.35Å |
| 258 | M | 94.8 | Very high | 94.2 | Very high | 98 Ų | 98 | 72.5 Ų | 72.5 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | trans | -60.2 | 125.6 | 177.9 | -68.5 | -166.9 | -164.1 | 0 | 0 | 110.7 | P115 N153 H254 M255 L256 F267 | P115-M258 HydrophobicContact CG-CB 4.27Å; P115-M258 HydrophobicContact CG-SD 4.42Å; N153-M258 PolarHBondContact ND2-O 3.49Å; H254-M258 VanDerWaalsContact O-CG 3.24Å; H254-M258 WeakPolarHBondContact O-CG 3.46Å; H254-M258 PolarHBondContact O-N 2.83Å; M255-M258 WeakPolarHBondContact O-CB 3.02Å; M255-M258 PolarHBondContact O-N 3.04Å; L256-M258 VanDerWaalsContact C-N 3.35Å; M258-F267 HydrophobicContact CB-CE1 4.42Å | ||
| 259 | R | 94.8 | Very high | 94.4 | Very high | 96 Ų | 96 | 70.7 Ų | 70.7 | 36% | 0.362 | 35% | 0.347 | S | S | . | . | trans | -134.7 | 145.6 | 174.7 | -68.4 | 176.9 | 63.3 | -175.6 | -6.6 | 108.9 | Y222 F257 | Y222-R259 VanDerWaalsContact CA-NH2 3.29Å; Y222-R259 PolarHBondContact O-NH2 3.29Å; Y222-R259 VanDerWaalsContact O-NH2 3.12Å; F257-R259 PolarHBondContact O-N 3.35Å | ||
| 260 | K | 95.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | trans | -74.4 | 147.6 | 171.5 | -78.7 | 175.3 | -72.3 | -172.8 | 0 | 110.2 | D117 E155 Y179 Q264 I265 F267 | D117-K260 IonicContact OD1-NZ 3.92Å; D117-K260 PolarHBondContact OD1-NZ 3.03Å; D117-K260 IonicContact OD2-NZ 3.82Å; D117-K260 PolarHBondContact OD2-NZ 3.24Å; E155-K260 IonicContact OE1-NZ 3.75Å; E155-K260 WeakPolarHBondContact OE2-CE 3.3Å; E155-K260 IonicContact OE2-NZ 2.7Å; E155-K260 PolarHBondContact OE2-NZ 3.1Å; Y179-K260 WeakPolarHBondContact OH-CE 3.27Å; Y179-K260 PolarHBondContact OH-NZ 3.07Å; K260-Q264 HydrophobicContact CB-CB 4.45Å; K260-I265 WeakPolarHBondContact CD-O 3.23Å; K260-I265 PolarHBondContact NZ-O 2.94Å; K260-F267 HydrophobicContact CD-CD1 4.41Å; K260-F267 HydrophobicContact CD-CD2 3.84Å; K260-F267 HydrophobicContact CD-CE1 4.41Å; K260-F267 HydrophobicContact CD-CE2 3.82Å; K260-F267 HydrophobicContact CD-CG 4.15Å; K260-F267 HydrophobicContact CD-CZ 4.12Å; K260-F267 VanDerWaalsContact CE-CE2 3.4Å; K260-F267 HydrophobicContact CG-CD1 3.73Å; K260-F267 HydrophobicContact CG-CD2 4.07Å; K260-F267 HydrophobicContact CG-CE1 3.67Å; K260-F267 HydrophobicContact CG-CE2 3.99Å; K260-F267 HydrophobicContact CG-CG 3.94Å; K260-F267 HydrophobicContact CG-CZ 3.8Å | ||
| 261 | D | 95.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 63 Ų | 63 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | trans | -61 | 150.7 | 168.4 | -72.1 | -35.6 | 0 | 0 | 0 | 110.8 | R203 R263 Q264 | R203-D261 PolarHBondContact NH2-O 3.28Å; D261-R263 PolarHBondContact O-N 3.12Å; D261-Q264 HydrophobicContact CB-CB 3.95Å; D261-Q264 PolarHBondContact O-N 2.72Å | ||
| 262 | P | 95.8 | Very high | 95 | Very high | 51 Ų | 51 | 54 Ų | 54 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -29.5 | 176.7 | -33.1 | 39.2 | 0 | 0 | 0 | 114.6 | R203 Y222 L223 | R203-P262 VanDerWaalsContact CG-O 3.23Å; R203-P262 WeakPolarHBondContact CG-O 3.38Å; R203-P262 PolarHBondContact NE-O 2.78Å; Y222-P262 HydrophobicContact CD2-CB 4.1Å; Y222-P262 HydrophobicContact CD2-CG 4.24Å; Y222-P262 HydrophobicContact CE2-CB 3.74Å; Y222-P262 HydrophobicContact CE2-CG 4.33Å; L223-P262 HydrophobicContact CD2-CB 4.07Å; L223-P262 HydrophobicContact CD2-CG 4.08Å |
| 263 | R | 96.5 | Very high | 95.2 | Very high | 63 Ų | 63 | 53 Ų | 53 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -6.3 | 180 | -66.6 | -61 | -165.3 | 174.2 | -1 | 114.4 | K202 R203 D261 | K202-R263 WeakPolarHBondContact CA-O 3.26Å; K202-R263 HydrophobicContact CB-CB 4.26Å; R203-R263 PolarHBondContact N-O 3.17Å; R203-R263 WeakPolarHBondContact O-CD 3.46Å; R203-R263 PolarHBondContact O-NH1 3.29Å; D261-R263 PolarHBondContact O-N 3.12Å |
| 264 | Q | 96.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | trans | -90.6 | 142.6 | -174 | -174 | 174.2 | 29.6 | 0 | 0 | 112.3 | R203 K260 D261 F266 L269 | R203-Q264 WeakPolarHBondContact CD-O 3.45Å; R203-Q264 PolarHBondContact NE-O 3.01Å; R203-Q264 VanDerWaalsContact NE-O 3.12Å; K260-Q264 HydrophobicContact CB-CB 4.45Å; D261-Q264 HydrophobicContact CB-CB 3.95Å; D261-Q264 PolarHBondContact O-N 2.72Å; Q264-F266 WeakPolarHBondContact CG-O 3.47Å; Q264-F266 PolarHBondContact NE2-O 2.82Å; Q264-L269 WeakPolarHBondContact CG-O 3.42Å; Q264-L269 PolarHBondContact NE2-O 3.32Å | ||
| 265 | I | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -95.1 | -52.9 | 178.3 | -62.9 | -179.8 | 0 | 0 | 0 | 111.2 | S183 V186 L187 I200 P201 R203 K260 | S183-I265 WeakPolarHBondContact OG-CD1 3.11Å; V186-I265 HydrophobicContact CG1-CG2 4.48Å; L187-I265 HydrophobicContact CB-CG2 4.32Å; L187-I265 HydrophobicContact CD1-CG2 3.68Å; L187-I265 WeakPolarHBondContact CD1-O 3.4Å; I200-I265 HydrophobicContact CG2-CD1 4.48Å; P201-I265 HydrophobicContact CG-CD1 3.76Å; P201-I265 WeakPolarHBondContact O-CD1 3.1Å; R203-I265 HydrophobicContact CB-CG1 4.12Å; K260-I265 WeakPolarHBondContact CD-O 3.23Å; K260-I265 PolarHBondContact NZ-O 2.94Å |
| 266 | F | 96.6 | Very high | 95.7 | Very high | 17 Ų | 17 | 47 Ų | 47 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -108.2 | 147.2 | -174.9 | -59.8 | -72.6 | 0 | 0 | 0 | 111.2 | T119 V186 L187 P190 F194 I200 Q264 G268 L269 | T119-F266 HydrophobicContact CG2-CD1 4.09Å; T119-F266 HydrophobicContact CG2-CE1 4.02Å; V186-F266 HydrophobicContact CG1-CE2 3.74Å; V186-F266 HydrophobicContact CG1-CZ 3.59Å; L187-F266 HydrophobicContact CD1-CD1 3.97Å; L187-F266 HydrophobicContact CD1-CE1 3.95Å; P190-F266 HydrophobicContact CB-CE1 3.79Å; P190-F266 HydrophobicContact CB-CZ 3.74Å; P190-F266 HydrophobicContact CG-CE1 4.49Å; F194-F266 HydrophobicContact CE1-CE2 4.22Å; F194-F266 HydrophobicContact CZ-CD2 4.25Å; F194-F266 AromaticContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CE2 3.78Å; F194-F266 HydrophobicContact CZ-CZ 4.09Å; I200-F266 HydrophobicContact CD1-CD2 4.37Å; I200-F266 HydrophobicContact CG2-CD2 4.34Å; Q264-F266 WeakPolarHBondContact CG-O 3.47Å; Q264-F266 PolarHBondContact NE2-O 2.82Å; F266-G268 PolarHBondContact O-N 2.98Å; F266-L269 HydrophobicContact CB-CB 4.17Å; F266-L269 HydrophobicContact CB-CD1 4.31Å; F266-L269 HydrophobicContact CD2-CD1 4.47Å |
| 267 | F | 94.6 | Very high | 95.8 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 132.5 | 168.2 | -75.8 | -82.6 | 0 | 0 | 0 | 110.6 | P115 D117 M258 K260 L269 | P115-F267 HydrophobicContact CB-CE1 4.21Å; P115-F267 HydrophobicContact CB-CE2 3.93Å; P115-F267 HydrophobicContact CB-CZ 3.75Å; P115-F267 HydrophobicContact CG-CE1 4.39Å; P115-F267 HydrophobicContact CG-CZ 4.41Å; D117-F267 HydrophobicContact CB-CD2 4.43Å; D117-F267 HydrophobicContact CB-CE2 4.06Å; M258-F267 HydrophobicContact CB-CE1 4.42Å; K260-F267 HydrophobicContact CD-CD1 4.41Å; K260-F267 HydrophobicContact CD-CD2 3.84Å; K260-F267 HydrophobicContact CD-CE1 4.41Å; K260-F267 HydrophobicContact CD-CE2 3.82Å; K260-F267 HydrophobicContact CD-CG 4.15Å; K260-F267 HydrophobicContact CD-CZ 4.12Å; K260-F267 VanDerWaalsContact CE-CE2 3.4Å; K260-F267 HydrophobicContact CG-CD1 3.73Å; K260-F267 HydrophobicContact CG-CD2 4.07Å; K260-F267 HydrophobicContact CG-CE1 3.67Å; K260-F267 HydrophobicContact CG-CE2 3.99Å; K260-F267 HydrophobicContact CG-CG 3.94Å; K260-F267 HydrophobicContact CG-CZ 3.8Å; F267-L269 PolarHBondContact O-N 2.76Å |
| 268 | G | 92.9 | Very high | 96 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | -3.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | F266 | F266-G268 PolarHBondContact O-N 2.98Š|
| 269 | L | 95.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 121.8 | 174.5 | -59.8 | 173 | 0 | 0 | 0 | 110.2 | F194 I200 Q264 F266 F267 W273 V275 I282 | F194-L269 HydrophobicContact CZ-CD1 4.15Å; I200-L269 HydrophobicContact CD1-CB 3.76Å; I200-L269 HydrophobicContact CD1-CD1 4.1Å; I200-L269 HydrophobicContact CD1-CG 4.47Å; Q264-L269 WeakPolarHBondContact CG-O 3.42Å; Q264-L269 PolarHBondContact NE2-O 3.32Å; F266-L269 HydrophobicContact CB-CB 4.17Å; F266-L269 HydrophobicContact CB-CD1 4.31Å; F266-L269 HydrophobicContact CD2-CD1 4.47Å; F267-L269 PolarHBondContact O-N 2.76Å; L269-W273 HydrophobicContact CD2-CE3 3.92Å; L269-W273 HydrophobicContact CD2-CZ3 4.1Å; L269-V275 HydrophobicContact CD1-CG2 4.32Å; L269-I282 HydrophobicContact CD2-CD1 3.66Å |
| 270 | S | 95.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -84.7 | 153.9 | 179.4 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | W273 | S270-W273 PolarHBondContact O-N 2.72Š| ||
| 271 | P | 97.5 | Very high | 96.3 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 10% | 0.104 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 149.9 | 172.4 | 28 | -35.3 | 0 | 0 | 0 | 111.3 | I200 K202 W273 Y294 | I200-P271 CarbonylContact O-C 3.55Å; I200-P271 WeakPolarHBondContact O-CA 3.3Å; K202-P271 HydrophobicContact CB-CB 3.84Å; K202-P271 HydrophobicContact CB-CG 4.2Å; P271-W273 VanDerWaalsContact C-N 3.29Å; P271-W273 PolarHBondContact O-N 3.32Å; P271-Y294 HydrophobicContact CB-CD1 4.05Å |
| 272 | G | 96.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 59.3 Ų | 59.3 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -15.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I200 | I200-G272 PolarHBondContact O-N 3.26Š|
| 273 | W | 97.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -73.4 | 145.1 | 176.1 | -65.2 | 11 | 0 | 0 | 0 | 111 | P199 I200 L269 S270 P271 I282 L283 K284 | P199-W273 WeakPolarHBondContact CA-O 3.33Å; I200-W273 HydrophobicContact CD1-CB 4.42Å; I200-W273 WeakPolarHBondContact CG1-O 3.21Å; I200-W273 PolarHBondContact N-O 2.73Å; L269-W273 HydrophobicContact CD2-CE3 3.92Å; L269-W273 HydrophobicContact CD2-CZ3 4.1Å; S270-W273 PolarHBondContact O-N 2.72Å; P271-W273 VanDerWaalsContact C-N 3.29Å; P271-W273 PolarHBondContact O-N 3.32Å; W273-I282 HydrophobicContact CB-CG2 3.96Å; W273-I282 HydrophobicContact CD2-CG2 3.96Å; W273-I282 HydrophobicContact CE3-CD1 4.43Å; W273-I282 HydrophobicContact CE3-CG2 3.57Å; W273-I282 HydrophobicContact CG-CG2 4.17Å; W273-I282 HydrophobicContact CZ3-CD1 4.5Å; W273-I282 HydrophobicContact CZ3-CG2 4.36Å; W273-L283 WeakPolarHBondContact CA-O 3.41Å; W273-K284 HydrophobicContact CD2-CG 4.14Å; W273-K284 HydrophobicContact CG-CG 4.26Å; W273-K284 HydrophobicContact CZ2-CD 3.92Å; W273-K284 VanDerWaalsContact CZ2-CE 3.43Å; W273-K284 HydrophobicContact CZ2-CG 4.4Å | ||
| 274 | V | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.4 | 174.1 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | P199 L283 | P199-V274 HydrophobicContact CB-CG2 3.85Å; V274-L283 HydrophobicContact CB-CB 4.28Å; V274-L283 PolarHBondContact N-O 3.07Å; V274-L283 PolarHBondContact O-N 3.38Å |
| 275 | V | 97.8 | Very high | 96.6 | Very high | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.139 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 117.3 | 179.5 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | F194 I200 L269 M277 | F194-V275 HydrophobicContact CD1-CB 3.75Å; F194-V275 HydrophobicContact CD1-CG1 4.47Å; F194-V275 HydrophobicContact CD1-CG2 3.92Å; F194-V275 HydrophobicContact CE1-CB 4.08Å; F194-V275 HydrophobicContact CE1-CG2 3.7Å; F194-V275 HydrophobicContact CG-CB 4.13Å; F194-V275 HydrophobicContact CG-CG1 4.39Å; F194-V275 HydrophobicContact CZ-CG2 4.21Å; I200-V275 HydrophobicContact CD1-CG2 4.26Å; L269-V275 HydrophobicContact CD1-CG2 4.32Å; V275-M277 HydrophobicContact CG1-SD 3.96Å |
| 276 | N | 97.3 | Very high | 96.6 | Very high | 45 Ų | 45 | 71.3 Ų | 71.3 | 24% | 0.241 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 107 | 172 | -174.9 | -13.2 | 0 | 0 | 0 | 109.8 | T278 E279 K280 K281 | N276-T278 PolarHBondContact OD1-N 3.28Å; N276-T278 PolarHBondContact OD1-OG1 2.92Å; N276-E279 PolarHBondContact OD1-N 3.34Å; N276-K280 VanDerWaalsContact O-CA 3.31Å; N276-K280 WeakPolarHBondContact O-CA 3.25Å; N276-K280 PolarHBondContact O-N 3.27Å; N276-K281 PolarHBondContact N-O 2.96Å; N276-K281 PolarHBondContact O-N 2.81Å |
| 277 | M | 95.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 74.2 Ų | 74.2 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -29.8 | -178.3 | -65.3 | -64.1 | -67.2 | 0 | 0 | 113.5 | F194 V275 | F194-M277 HydrophobicContact CB-CG 3.98Å; F194-M277 HydrophobicContact CB-SD 4.28Å; F194-M277 HydrophobicContact CD2-SD 4.39Å; V275-M277 HydrophobicContact CG1-SD 3.96Å |
| 278 | T | 95.5 | Very high | 96.8 | Very high | 125 Ų | 125 | 76.4 Ų | 76.4 | 77% | 0.767 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -44.4 | -176.8 | 57.9 | 0 | 0 | 0 | 0 | 111 | N276 | N276-T278 PolarHBondContact OD1-N 3.28Å; N276-T278 PolarHBondContact OD1-OG1 2.92Å |
| 279 | E | 96.8 | Very high | 97 | Very high | 110 Ų | 110 | 81.2 Ų | 81.2 | 51% | 0.514 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.6 | 179.7 | -65.5 | -175.5 | -153.4 | 0 | 0 | 113.8 | N276 K281 | N276-E279 PolarHBondContact OD1-N 3.34Å; E279-K281 HydrophobicContact CB-CB 4.43Å; E279-K281 HydrophobicContact CB-CD 4.11Å; E279-K281 HydrophobicContact CB-CG 4.11Å; E279-K281 PolarHBondContact O-N 2.63Å; E279-K281 WeakPolarHBondContact OE2-CD 3.28Å; E279-K281 WeakPolarHBondContact OE2-CE 3.31Å; E279-K281 IonicContact OE2-NZ 3.67Å; E279-K281 PolarHBondContact OE2-NZ 3.11Å |
| 280 | K | 96.8 | Very high | 97 | Very high | 194 Ų | 194 | 83.3 Ų | 83.3 | 84% | 0.843 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.7 | -173 | -56.3 | 179.6 | 179.6 | 178.1 | 0 | 112.6 | N276 | N276-K280 VanDerWaalsContact O-CA 3.31Å; N276-K280 WeakPolarHBondContact O-CA 3.25Å; N276-K280 PolarHBondContact O-N 3.27Å |
| 281 | K | 97.4 | Very high | 97 | Very high | 117 Ų | 117 | 84.3 Ų | 84.3 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 154.5 | 179.7 | -67.8 | 178 | -167.8 | 159.1 | 0 | 111 | N276 E279 | N276-K281 PolarHBondContact N-O 2.96Å; N276-K281 PolarHBondContact O-N 2.81Å; E279-K281 HydrophobicContact CB-CB 4.43Å; E279-K281 HydrophobicContact CB-CD 4.11Å; E279-K281 HydrophobicContact CB-CG 4.11Å; E279-K281 PolarHBondContact O-N 2.63Å; E279-K281 WeakPolarHBondContact OE2-CD 3.28Å; E279-K281 WeakPolarHBondContact OE2-CE 3.31Å; E279-K281 IonicContact OE2-NZ 3.67Å; E279-K281 PolarHBondContact OE2-NZ 3.11Å |
| 282 | I | 97.9 | Very high | 97 | Very high | 76 Ų | 76 | 90.3 Ų | 90.3 | 39% | 0.39 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.4 | 173.7 | -59.6 | 173.3 | 0 | 0 | 0 | 107.9 | L269 W273 | L269-I282 HydrophobicContact CD2-CD1 3.66Å; W273-I282 HydrophobicContact CB-CG2 3.96Å; W273-I282 HydrophobicContact CD2-CG2 3.96Å; W273-I282 HydrophobicContact CE3-CD1 4.43Å; W273-I282 HydrophobicContact CE3-CG2 3.57Å; W273-I282 HydrophobicContact CG-CG2 4.17Å; W273-I282 HydrophobicContact CZ3-CD1 4.5Å; W273-I282 HydrophobicContact CZ3-CG2 4.36Å |
| 283 | L | 97.5 | Very high | 96.9 | Very high | 102 Ų | 102 | 96.2 Ų | 96.2 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127.5 | 174.3 | -53.1 | 177.1 | 0 | 0 | 0 | 108.7 | W273 V274 | W273-L283 WeakPolarHBondContact CA-O 3.41Å; V274-L283 HydrophobicContact CB-CB 4.28Å; V274-L283 PolarHBondContact N-O 3.07Å; V274-L283 PolarHBondContact O-N 3.38Å |
| 284 | K | 97.4 | Very high | 96.8 | Very high | 131 Ų | 131 | 95.8 Ų | 95.8 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | trans | -107.2 | 137.7 | 178.7 | -59.8 | -174.9 | -177.7 | -178.7 | 0 | 109.4 | W273 | W273-K284 HydrophobicContact CD2-CG 4.14Å; W273-K284 HydrophobicContact CG-CG 4.26Å; W273-K284 HydrophobicContact CZ2-CD 3.92Å; W273-K284 VanDerWaalsContact CZ2-CE 3.43Å; W273-K284 HydrophobicContact CZ2-CG 4.4Å | ||
| 285 | P | 96.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 99.8 Ų | 99.8 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | trans | -68 | 140.3 | 175.5 | 28.8 | -33 | 0 | 0 | 0 | 110.3 | L290 L291 | P285-L290 HydrophobicContact CB-CB 4.17Å; P285-L290 HydrophobicContact CB-CD1 4.3Å; P285-L291 HydrophobicContact CG-CD2 4.19Å; P285-L291 WeakPolarHBondContact O-CD2 3.27Å | ||
| 286 | T | 97.3 | Very high | 96.1 | Very high | 127 Ų | 127 | 102.9 Ų | 102.9 | 78% | 0.779 | 52% | 0.516 | S | S | * | . | trans | -111.7 | -18 | 178 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | D288 | T286-D288 PolarHBondContact O-N 3.49Š| ||
| 287 | D | 97.8 | Very high | 96 | Very high | 79 Ų | 79 | 105.8 Ų | 105.8 | 42% | 0.422 | 53% | 0.53 | S | S | . | . | trans | -67.2 | 125.9 | 178.1 | 179.2 | 15.1 | 0 | 0 | 0 | 110.3 | K289 L290 L291 | D287-K289 PolarHBondContact O-N 2.91Å; D287-K289 PolarHBondContact OD1-N 3.33Å; D287-L290 HydrophobicContact CB-CB 4.3Å; D287-L290 HydrophobicContact CB-CD1 4.12Å; D287-L290 HydrophobicContact CB-CG 4.13Å; D287-L290 PolarHBondContact O-N 3.21Å; D287-L291 WeakPolarHBondContact O-CG 3.46Å; D287-L291 PolarHBondContact O-N 3.02Å | ||
| 288 | D | 97.1 | Very high | 96.1 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 60% | 0.604 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.8 | -37 | -178.5 | -67.8 | -27.1 | 0 | 0 | 0 | 111.9 | T286 L291 Q292 | T286-D288 PolarHBondContact O-N 3.49Å; D288-L291 PolarHBondContact O-N 2.93Å; D288-Q292 WeakPolarHBondContact O-CB 3.29Å; D288-Q292 VanDerWaalsContact O-CG 3.28Å; D288-Q292 WeakPolarHBondContact O-CG 3.44Å; D288-Q292 PolarHBondContact O-N 3.13Å |
| 289 | K | 97.1 | Very high | 96.1 | Very high | 163 Ų | 163 | 105.6 Ų | 105.6 | 71% | 0.709 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 177.8 | -68.3 | -179.2 | -179.1 | 175.2 | 0 | 111.9 | D287 Y293 | D287-K289 PolarHBondContact O-N 2.91Å; D287-K289 PolarHBondContact OD1-N 3.33Å; K289-Y293 WeakPolarHBondContact O-CB 3.31Å; K289-Y293 PolarHBondContact O-N 2.89Å |
| 290 | L | 96.3 | Very high | 96.1 | Very high | 77 Ų | 77 | 105.3 Ų | 105.3 | 40% | 0.403 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.3 | -40.8 | 177.3 | -67.5 | -179.8 | 0 | 0 | 0 | 111.1 | P285 D287 Y293 Y294 | P285-L290 HydrophobicContact CB-CB 4.17Å; P285-L290 HydrophobicContact CB-CD1 4.3Å; D287-L290 HydrophobicContact CB-CB 4.3Å; D287-L290 HydrophobicContact CB-CD1 4.12Å; D287-L290 HydrophobicContact CB-CG 4.13Å; D287-L290 PolarHBondContact O-N 3.21Å; L290-Y293 PolarHBondContact O-N 3.16Å; L290-Y294 HydrophobicContact CB-CD2 4.49Å; L290-Y294 WeakPolarHBondContact O-CD2 3.39Å; L290-Y294 PolarHBondContact O-N 3.37Å |
| 291 | L | 96 | Very high | 96 | Very high | 62 Ų | 62 | 99.8 Ų | 99.8 | 33% | 0.325 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 175.8 | -71.7 | 171.9 | 0 | 0 | 0 | 111.3 | P285 D287 D288 Y293 Y294 N295 | P285-L291 HydrophobicContact CG-CD2 4.19Å; P285-L291 WeakPolarHBondContact O-CD2 3.27Å; D287-L291 WeakPolarHBondContact O-CG 3.46Å; D287-L291 PolarHBondContact O-N 3.02Å; D288-L291 PolarHBondContact O-N 2.93Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 2.75Å; L291-Y294 PolarHBondContact O-N 2.97Å; L291-N295 VanDerWaalsContact O-CB 3.25Å; L291-N295 WeakPolarHBondContact O-CB 3.48Å; L291-N295 VanDerWaalsContact O-CG 3.23Å; L291-N295 PolarHBondContact O-N 3.5Å; L291-N295 PolarHBondContact O-ND2 3.49Å |
| 292 | Q | 96.2 | Very high | 95.9 | Very high | 143 Ų | 143 | 98.6 Ų | 98.6 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -40 | 174.1 | -72.3 | 175.9 | 8.9 | 0 | 0 | 112.2 | D288 S296 | D288-Q292 WeakPolarHBondContact O-CB 3.29Å; D288-Q292 VanDerWaalsContact O-CG 3.28Å; D288-Q292 WeakPolarHBondContact O-CG 3.44Å; D288-Q292 PolarHBondContact O-N 3.13Å; Q292-S296 WeakPolarHBondContact O-CB 3.19Å; Q292-S296 PolarHBondContact O-N 3.39Å; Q292-S296 PolarHBondContact O-OG 3.44Å |
| 293 | Y | 96.3 | Very high | 95.8 | Very high | 128 Ų | 128 | 100.2 Ų | 100.2 | 50% | 0.502 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 177.9 | 175.4 | -97.7 | 0 | 0 | 0 | 113 | K202 K289 L290 L291 S296 | K202-Y293 WeakPolarHBondContact CE-O 3.15Å; K202-Y293 PolarHBondContact NZ-O 3.49Å; K289-Y293 WeakPolarHBondContact O-CB 3.31Å; K289-Y293 PolarHBondContact O-N 2.89Å; L290-Y293 PolarHBondContact O-N 3.16Å; L291-Y293 VanDerWaalsContact C-N 3.32Å; L291-Y293 PolarHBondContact O-N 2.75Å; Y293-S296 PolarHBondContact O-OG 3.36Å |
| 294 | Y | 95.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 100.1 Ų | 100.1 | 15% | 0.149 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -82 | -24.5 | -176.9 | -75.1 | -67.5 | 0 | 0 | 0 | 113.9 | P271 L290 L291 | P271-Y294 HydrophobicContact CB-CD1 4.05Å; L290-Y294 HydrophobicContact CB-CD2 4.49Å; L290-Y294 WeakPolarHBondContact O-CD2 3.39Å; L290-Y294 PolarHBondContact O-N 3.37Å; L291-Y294 PolarHBondContact O-N 2.97Å |
| 295 | N | 91.9 | Very high | 95.5 | Very high | 123 Ų | 123 | 97.5 Ų | 97.5 | 66% | 0.658 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -88.1 | -6.2 | 179.3 | -66.5 | -21 | 0 | 0 | 0 | 114.3 | L291 | L291-N295 VanDerWaalsContact O-CB 3.25Å; L291-N295 WeakPolarHBondContact O-CB 3.48Å; L291-N295 VanDerWaalsContact O-CG 3.23Å; L291-N295 PolarHBondContact O-N 3.5Å; L291-N295 PolarHBondContact O-ND2 3.49Å |
| 296 | S | 88.1 | Confident | 95.4 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | trans | -89.5 | 0 | 177 | 45.5 | 0 | 0 | 0 | 0 | 114.7 | K202 Q292 Y293 | K202-S296 WeakPolarHBondContact CD-O 3.32Å; K202-S296 PolarHBondContact NZ-O 3.07Å; K202-S296 PolarHBondContact NZ-OG 3.18Å; Q292-S296 WeakPolarHBondContact O-CB 3.19Å; Q292-S296 PolarHBondContact O-N 3.39Å; Q292-S296 PolarHBondContact O-OG 3.44Å; Y293-S296 PolarHBondContact O-OG 3.36Å |
Retrieved 296 of 296 residues in 535.5 ms
(Link to these results)