| 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 | 71.3 | Confident | 85.4 | Confident | 195 Ų | 195 | 119.5 Ų | 119.5 | 96% | 0.961 | 59% | 0.587 | S | S | * | * | 0 | -45.2 | 0 | -82 | -141.9 | -78.1 | 0 | 0 | 112.3 | S3 V4 R5 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.11Å; M1-V4 PolarHBondContact O-N 3.4Å; M1-V4 VanDerWaalsContact O-N 3.16Å; M1-R5 PolarHBondContact O-N 2.63Å | |||
| 2 | E | 85.6 | Confident | 85.8 | Confident | 165 Ų | 165 | 122.8 Ų | 122.8 | 77% | 0.771 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.9 | -36.5 | -178.4 | -61.8 | 178.4 | 142.3 | 0 | 0 | 113.2 | V4 R5 A6 | E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 2.99Å; E2-R5 WeakPolarHBondContact O-CB 3.39Å; E2-R5 PolarHBondContact O-N 3.28Å; E2-A6 PolarHBondContact O-N 3.09Å; E2-A6 VanDerWaalsContact O-N 3.11Å |
| 3 | S | 82.5 | Confident | 86.1 | Confident | 77 Ų | 77 | 126.6 Ų | 126.6 | 54% | 0.538 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -45.8 | -50.3 | 168.2 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | M1 R5 A6 E7 | M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.11Å; S3-R5 VanDerWaalsContact C-N 3.25Å; S3-R5 PolarHBondContact O-N 3Å; S3-A6 WeakPolarHBondContact O-CB 3.42Å; S3-A6 PolarHBondContact O-N 3.29Å; S3-A6 VanDerWaalsContact O-N 3.09Å; S3-E7 WeakPolarHBondContact O-CG 3.23Å; S3-E7 PolarHBondContact O-N 3.16Å |
| 4 | V | 83.2 | Confident | 86 | Confident | 77 Ų | 77 | 125.9 Ų | 125.9 | 47% | 0.467 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.4 | -28.2 | -178.7 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | M1 E2 E7 L8 | M1-V4 PolarHBondContact O-N 3.4Å; M1-V4 VanDerWaalsContact O-N 3.16Å; E2-V4 VanDerWaalsContact C-N 3.3Å; E2-V4 PolarHBondContact O-N 2.99Å; V4-E7 WeakPolarHBondContact CA-OE2 3.42Å; V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L8 VanDerWaalsContact O-N 3.14Å |
| 5 | R | 87.7 | Confident | 85.8 | Confident | 182 Ų | 182 | 125.6 Ų | 125.6 | 69% | 0.687 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.4 | -41.4 | 173.4 | -67.1 | -175.9 | 174.9 | 177 | -1.9 | 111.3 | M1 E2 S3 L8 E9 | M1-R5 PolarHBondContact O-N 2.63Å; E2-R5 WeakPolarHBondContact O-CB 3.39Å; E2-R5 PolarHBondContact O-N 3.28Å; S3-R5 VanDerWaalsContact C-N 3.25Å; S3-R5 PolarHBondContact O-N 3Å; R5-L8 PolarHBondContact O-N 2.9Å; R5-E9 PolarHBondContact O-N 3.37Å |
| 6 | A | 90.1 | Very high | 85.7 | Confident | 56 Ų | 56 | 123.1 Ų | 123.1 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.4 | -45.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E2 S3 L8 E9 E10 | E2-A6 PolarHBondContact O-N 3.09Å; E2-A6 VanDerWaalsContact O-N 3.11Å; S3-A6 WeakPolarHBondContact O-CB 3.42Å; S3-A6 PolarHBondContact O-N 3.29Å; S3-A6 VanDerWaalsContact O-N 3.09Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.49Å; A6-E9 PolarHBondContact O-N 3.46Å; A6-E9 VanDerWaalsContact O-N 3.15Å; A6-E10 PolarHBondContact O-N 2.89Å |
| 7 | E | 86.8 | Confident | 85.3 | Confident | 121 Ų | 121 | 121.6 Ų | 121.6 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.1 | -40.9 | 175.3 | -68.5 | 175.3 | 121.2 | 0 | 0 | 112.8 | S3 V4 E10 Y11 | S3-E7 WeakPolarHBondContact O-CG 3.23Å; S3-E7 PolarHBondContact O-N 3.16Å; V4-E7 WeakPolarHBondContact CA-OE2 3.42Å; E7-E10 PolarHBondContact O-N 3.15Å; E7-Y11 WeakPolarHBondContact O-CB 3.39Å; E7-Y11 PolarHBondContact O-N 3.14Å |
| 8 | L | 87.5 | Confident | 84.9 | Confident | 94 Ų | 94 | 120.9 Ų | 120.9 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.4 | -23.7 | 177.7 | -78.3 | 168.7 | 0 | 0 | 0 | 114.3 | V4 R5 A6 R12 | V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 WeakPolarHBondContact O-CG 3.4Å; V4-L8 PolarHBondContact O-N 3.36Å; V4-L8 VanDerWaalsContact O-N 3.14Å; R5-L8 PolarHBondContact O-N 2.9Å; A6-L8 VanDerWaalsContact C-N 3.33Å; A6-L8 PolarHBondContact O-N 3.49Å; L8-R12 PolarHBondContact O-N 3.42Å; L8-R12 PolarHBondContact O-NE 3.45Å |
| 9 | E | 92.4 | Very high | 84.4 | Confident | 102 Ų | 102 | 118.6 Ų | 118.6 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -81 | -41.2 | 170.7 | -73.9 | -171.5 | -158.6 | 0 | 0 | 111.7 | R5 A6 Y11 R12 R13 | R5-E9 PolarHBondContact O-N 3.37Å; A6-E9 PolarHBondContact O-N 3.46Å; A6-E9 VanDerWaalsContact O-N 3.15Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.29Å; E9-R12 PolarHBondContact O-N 3.45Å; E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.05Å |
| 10 | E | 87.2 | Confident | 83.8 | Confident | 100 Ų | 100 | 119 Ų | 119 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -55.4 | -47.3 | 169.2 | -81 | -164.6 | -158.8 | 0 | 0 | 111.7 | A6 E7 R12 R13 K14 | A6-E10 PolarHBondContact O-N 2.89Å; E7-E10 PolarHBondContact O-N 3.15Å; E10-R12 VanDerWaalsContact C-N 3.32Å; E10-R12 PolarHBondContact O-N 3.06Å; E10-R13 PolarHBondContact O-N 2.9Å; E10-K14 WeakPolarHBondContact O-CB 3.48Å; E10-K14 VanDerWaalsContact O-CG 3.23Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.38Å; E10-K14 WeakPolarHBondContact OE2-CE 3.42Å; E10-K14 IonicContact OE2-NZ 2.85Å; E10-K14 PolarHBondContact OE2-NZ 3.36Å |
| 11 | Y | 84.9 | Confident | 82.9 | Confident | 146 Ų | 146 | 119.5 Ų | 119.5 | 57% | 0.573 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.9 | -43 | 178.8 | 177.2 | -105.4 | 0 | 0 | 0 | 112.4 | E7 E9 K14 K15 | E7-Y11 WeakPolarHBondContact O-CB 3.39Å; E7-Y11 PolarHBondContact O-N 3.14Å; E9-Y11 VanDerWaalsContact C-N 3.32Å; E9-Y11 PolarHBondContact O-N 3.29Å; Y11-K14 PolarHBondContact O-N 3.33Å; Y11-K15 PolarHBondContact O-N 3.27Å |
| 12 | R | 90.1 | Very high | 82.5 | Confident | 158 Ų | 158 | 118.5 Ų | 118.5 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.4 | -39.1 | 176.8 | -82.2 | -179.1 | -76.2 | -179.5 | 0.3 | 112.5 | L8 E9 E10 K15 T16 | L8-R12 PolarHBondContact O-N 3.42Å; L8-R12 PolarHBondContact O-NE 3.45Å; E9-R12 PolarHBondContact O-N 3.45Å; E10-R12 VanDerWaalsContact C-N 3.32Å; E10-R12 PolarHBondContact O-N 3.06Å; R12-K15 PolarHBondContact O-N 3.42Å; R12-T16 PolarHBondContact O-N 3.12Å; R12-T16 PolarHBondContact O-OG1 3.31Å |
| 13 | R | 89.7 | Confident | 81.2 | Confident | 173 Ų | 173 | 119.7 Ų | 119.7 | 65% | 0.653 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.9 | -49 | 172.7 | -68.2 | 173.3 | -170.9 | -123.9 | 5.2 | 111 | E9 E10 K15 T16 I17 | E9-R13 WeakPolarHBondContact O-CG 3.35Å; E9-R13 PolarHBondContact O-N 3.05Å; E10-R13 PolarHBondContact O-N 2.9Å; R13-K15 VanDerWaalsContact C-N 3.33Å; R13-K15 PolarHBondContact O-N 3.48Å; R13-T16 PolarHBondContact O-N 3.48Å; R13-I17 WeakPolarHBondContact O-CG1 3.38Å; R13-I17 PolarHBondContact O-N 2.98Å |
| 14 | K | 85 | Confident | 79.7 | Confident | 116 Ų | 116 | 124.2 Ų | 124.2 | 50% | 0.504 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -56.7 | -43 | 177.8 | -70.1 | 164.7 | -171.7 | 172.5 | 0 | 111.8 | E10 Y11 I17 L18 | E10-K14 WeakPolarHBondContact O-CB 3.48Å; E10-K14 VanDerWaalsContact O-CG 3.23Å; E10-K14 WeakPolarHBondContact O-CG 3.38Å; E10-K14 PolarHBondContact O-N 3.38Å; E10-K14 WeakPolarHBondContact OE2-CE 3.42Å; E10-K14 IonicContact OE2-NZ 2.85Å; E10-K14 PolarHBondContact OE2-NZ 3.36Å; Y11-K14 PolarHBondContact O-N 3.33Å; K14-I17 PolarHBondContact O-N 3.38Å; K14-L18 PolarHBondContact O-N 2.86Å |
| 15 | K | 83.7 | Confident | 78 | Confident | 122 Ų | 122 | 125 Ų | 125 | 53% | 0.53 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.6 | -43.4 | 177.6 | -174.2 | 171.3 | -179.8 | 175.2 | 0 | 113.6 | Y11 R12 R13 I17 L18 C19 | Y11-K15 PolarHBondContact O-N 3.27Å; R12-K15 PolarHBondContact O-N 3.42Å; R13-K15 VanDerWaalsContact C-N 3.33Å; R13-K15 PolarHBondContact O-N 3.48Å; K15-I17 VanDerWaalsContact C-N 3.3Å; K15-I17 PolarHBondContact O-N 3.44Å; K15-L18 PolarHBondContact O-N 3.42Å; K15-C19 PolarHBondContact O-N 3.28Å |
| 16 | T | 83.5 | Confident | 76.4 | Confident | 86 Ų | 86 | 123.5 Ų | 123.5 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.4 | -35.9 | -179.8 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | R12 R13 C19 Q20 | R12-T16 PolarHBondContact O-N 3.12Å; R12-T16 PolarHBondContact O-OG1 3.31Å; R13-T16 PolarHBondContact O-N 3.48Å; T16-C19 PolarHBondContact O-N 2.99Å; T16-Q20 PolarHBondContact O-N 3.21Å |
| 17 | I | 79.8 | Confident | 74.7 | Confident | 98 Ų | 98 | 129.5 Ų | 129.5 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.5 | -45.7 | 177.7 | -65.4 | 163.6 | 0 | 0 | 0 | 111 | R13 K14 K15 C19 Q20 Q21 | R13-I17 WeakPolarHBondContact O-CG1 3.38Å; R13-I17 PolarHBondContact O-N 2.98Å; K14-I17 PolarHBondContact O-N 3.38Å; K15-I17 VanDerWaalsContact C-N 3.3Å; K15-I17 PolarHBondContact O-N 3.44Å; I17-C19 VanDerWaalsContact C-N 3.33Å; I17-C19 PolarHBondContact O-N 3.2Å; I17-Q20 PolarHBondContact O-N 3.2Å; I17-Q20 VanDerWaalsContact O-N 3.09Å; I17-Q21 PolarHBondContact O-N 3.47Å |
| 18 | L | 77.4 | Confident | 72.7 | Confident | 108 Ų | 108 | 133.5 Ų | 133.5 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -55.6 | -44.4 | 176.3 | -84.4 | 163.4 | 0 | 0 | 0 | 112.6 | K14 K15 Q20 Q21 Q22 | K14-L18 PolarHBondContact O-N 2.86Å; K15-L18 PolarHBondContact O-N 3.42Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.28Å; L18-Q21 PolarHBondContact O-N 3.24Å; L18-Q22 PolarHBondContact O-N 3.28Å; L18-Q22 VanDerWaalsContact O-N 3.1Å |
| 19 | C | 75.9 | Confident | 70.9 | Confident | 77 Ų | 77 | 133.3 Ų | 133.3 | 52% | 0.52 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.9 | -32.8 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | K15 T16 I17 K23 | K15-C19 PolarHBondContact O-N 3.28Å; T16-C19 PolarHBondContact O-N 2.99Å; I17-C19 VanDerWaalsContact C-N 3.33Å; I17-C19 PolarHBondContact O-N 3.2Å; C19-K23 PolarHBondContact O-N 2.99Å |
| 20 | Q | 72.5 | Confident | 68.6 | Low | 127 Ų | 127 | 134.7 Ų | 134.7 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.8 | -31.4 | 174.2 | -71.8 | -166.9 | 1.7 | 0 | 0 | 113 | T16 I17 L18 | T16-Q20 PolarHBondContact O-N 3.21Å; I17-Q20 PolarHBondContact O-N 3.2Å; I17-Q20 VanDerWaalsContact O-N 3.09Å; L18-Q20 VanDerWaalsContact C-N 3.33Å; L18-Q20 PolarHBondContact O-N 3.28Å |
| 21 | Q | 64.9 | Low | 66.6 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.5 | -46.9 | 173.8 | -74.9 | 179.9 | -31.7 | 0 | 0 | 111.3 | I17 L18 K23 K24 | I17-Q21 PolarHBondContact O-N 3.47Å; L18-Q21 PolarHBondContact O-N 3.24Å; Q21-K23 VanDerWaalsContact C-N 3.26Å; Q21-K23 PolarHBondContact O-N 3.1Å; Q21-K24 PolarHBondContact O-N 3.21Å |
| 22 | Q | 61.8 | Low | 64.5 | Low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.813 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.9 | -28.4 | 176.7 | -82.3 | -166.1 | -24.1 | 0 | 0 | 113.9 | L18 K24 P25 | L18-Q22 PolarHBondContact O-N 3.28Å; L18-Q22 VanDerWaalsContact O-N 3.1Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 3.26Å; Q22-P25 WeakPolarHBondContact O-CD 3.41Å |
| 23 | K | 59 | Low | 62.3 | Low | 191 Ų | 191 | 135 Ų | 135 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 5.6 | 179 | -149.3 | -172.8 | 175.9 | -176.4 | 0 | 114.3 | C19 Q21 | C19-K23 PolarHBondContact O-N 2.99Å; Q21-K23 VanDerWaalsContact C-N 3.26Å; Q21-K23 PolarHBondContact O-N 3.1Å |
| 24 | K | 51.5 | Low | 59.9 | Low | 172 Ų | 172 | 133.6 Ų | 133.6 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | trans | -103.2 | -12.8 | -173.3 | -103.1 | -177.6 | 173 | -178.2 | 0 | 119.4 | Q21 Q22 | Q21-K24 PolarHBondContact O-N 3.21Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 3.26Å | ||
| 25 | P | 47.3 | Very low | 57.7 | Low | 94 Ų | 94 | 132.9 Ų | 132.9 | 61% | 0.61 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -94 | 122.5 | 176.2 | 33.6 | -28.9 | 0 | 0 | 0 | 112.2 | Q22 | Q22-P25 WeakPolarHBondContact O-CD 3.41Š|
| 26 | I | 53.5 | Low | 55.6 | Low | 150 Ų | 150 | 135.6 Ų | 135.6 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 165.9 | -41.4 | 149.3 | -91.4 | 156.2 | 0 | 0 | 0 | 110.6 | K28 | I26-K28 VanDerWaalsContact C-N 3.34Å; I26-K28 PolarHBondContact O-N 3.23Å; I26-K28 VanDerWaalsContact O-N 3.11Å |
| 27 | E | 54.3 | Low | 53.7 | Low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -22.7 | -158 | -165.3 | 175.1 | -171.8 | 0 | 0 | 116.7 | ||
| 28 | K | 45.3 | Very low | 52.1 | Low | 206 Ų | 206 | 139.9 Ų | 139.9 | 90% | 0.896 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 4.8 | -165.5 | -66.1 | -165.2 | 172.5 | -166 | 0 | 116.8 | I26 | I26-K28 VanDerWaalsContact C-N 3.34Å; I26-K28 PolarHBondContact O-N 3.23Å; I26-K28 VanDerWaalsContact O-N 3.11Å |
| 29 | A | 49.4 | Very low | 50.4 | Low | 89 Ų | 89 | 140 Ų | 140 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -90.1 | -10.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V31 | A29-V31 PolarHBondContact O-N 3.31Š| ||
| 30 | V | 44.4 | Very low | 49 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -96 | 91.1 | -175.8 | -176 | 0 | 0 | 0 | 0 | 111.7 | ||
| 31 | V | 44.9 | Very low | 48 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 67% | 0.673 | 75% | 0.748 | S | S | * | * | trans | 62 | 93.4 | 139.3 | -174.5 | 0 | 0 | 0 | 0 | 117.9 | A29 | A29-V31 PolarHBondContact O-N 3.31Š| ||
| 32 | K | 40.8 | Very low | 47.6 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | 68.7 | 160.1 | 129.1 | -67.4 | -175.6 | 171.9 | -85.9 | 0 | 120.7 | |||||
| 33 | E | 43.4 | Very low | 47.3 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 59% | 0.593 | 75% | 0.747 | S | S | * | * | cis | -180 | 114 | -26.2 | 178.4 | 171.9 | 169.9 | 0 | 0 | 108.3 | ||||
| 34 | N | 38.9 | Very low | 46.9 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 64.6 | 156.4 | 171.7 | -54.6 | -27.4 | 0 | 0 | 0 | 117.1 | ||||
| 35 | C | 40.6 | Very low | 47 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 69% | 0.689 | 75% | 0.749 | S | S | * | * | cis | -126.2 | 161.8 | 7.4 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 36 | E | 38.1 | Very low | 47.3 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 50.6 | 132.7 | 151.1 | -68.1 | 154.9 | 106.1 | 0 | 0 | 120 | ||||
| 37 | E | 44.9 | Very low | 47.1 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | cis | -169.5 | 179.2 | -8.9 | -143.5 | -166.3 | -177.8 | 0 | 0 | 108.2 | ||||
| 38 | P | 45.3 | Very low | 46.9 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | -93.7 | 177.3 | -73.5 | 23.9 | -3.3 | 0 | 0 | 0 | 113.7 | |||||
| 39 | V | 42.5 | Very low | 46.9 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | 178.3 | 117.4 | 75.1 | 169.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 40 | R | 46.6 | Very low | 46.9 | Very low | 221 Ų | 221 | 147.6 Ų | 147.6 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | 80.9 | 101.2 | 151.2 | -60.5 | 167.9 | -161 | -155 | 3.7 | 127.7 | ||||
| 41 | Q | 51.6 | Low | 47.2 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | 76.6 | 162.1 | 134.7 | -63.6 | 162.8 | -93.8 | 0 | 0 | 124.4 | ||||
| 42 | I | 56.1 | Low | 47.7 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | cis | -165.6 | -179.8 | -8.4 | -102.4 | 171.5 | 0 | 0 | 0 | 115.6 | ||||
| 43 | E | 55.3 | Low | 48.5 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 0 | -159.7 | -41 | 74.3 | -157.2 | 0 | 0 | 118.5 | ||||
| 44 | E | 50.3 | Low | 49.3 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | 0 | -175.8 | 0 | -106.2 | -65.8 | -9.6 | 0 | 0 | 116.2 | |||||
| 45 | V | 52.7 | Low | 50.1 | Low | 131 Ų | 131 | 146.5 Ų | 146.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | 89.7 | 0 | 156.1 | 146.4 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 46 | V | 54.2 | Low | 51.4 | Low | 116 Ų | 116 | 144.8 Ų | 144.8 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | 0 | 159 | 0 | 93.4 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 47 | E | 50.1 | Low | 53.5 | Low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | 66.3 | 162.8 | 158.3 | -59.1 | -43.9 | -98.7 | 0 | 0 | 132 | ||||
| 48 | E | 49.7 | Very low | 55.5 | Low | 200 Ų | 200 | 134.3 Ų | 134.3 | 94% | 0.935 | 72% | 0.719 | S | S | * | * | trans | -157.2 | 167.6 | -169 | -170.6 | 174.9 | -101.4 | 0 | 0 | 119.7 | ||||
| 49 | S | 45.4 | Very low | 57.6 | Low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | trans | -169.4 | 125.2 | 170.6 | 164.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 50 | D | 48.7 | Very low | 59.9 | Low | 157 Ų | 157 | 132.3 Ų | 132.3 | 84% | 0.84 | 70% | 0.702 | S | S | * | * | trans | -175.1 | 150.6 | 153.4 | -141.3 | -21.4 | 0 | 0 | 0 | 115.5 | ||||
| 51 | T | 50.1 | Low | 62 | Low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | trans | -152.7 | -4 | -172.5 | 59.2 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 52 | A | 57.3 | Low | 63.9 | Low | 86 Ų | 86 | 126 Ų | 126 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -72.1 | -39.5 | -157 | 0 | 0 | 0 | 0 | 0 | 120.1 | V54 | A52-V54 PolarHBondContact O-N 2.83Š|
| 53 | E | 57.4 | Low | 65.6 | Low | 185 Ų | 185 | 125.2 Ų | 125.2 | 86% | 0.864 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -81.9 | -9.2 | -158.5 | -58.4 | -163.9 | 135.9 | 0 | 0 | 116.6 | K55 | E53-K55 VanDerWaalsContact C-N 3.26Å; E53-K55 PolarHBondContact O-N 3.24Å |
| 54 | V | 59.4 | Low | 67.4 | Low | 94 Ų | 94 | 123.6 Ų | 123.6 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -62.3 | -26.2 | -161.3 | -174.9 | 0 | 0 | 0 | 0 | 114.8 | A52 A56 T57 | A52-V54 PolarHBondContact O-N 2.83Å; V54-A56 PolarHBondContact O-N 3.43Å; V54-T57 PolarHBondContact O-N 3.19Å; V54-T57 PolarHBondContact O-OG1 2.89Å |
| 55 | K | 56.8 | Low | 69.4 | Low | 170 Ų | 170 | 120 Ų | 120 | 74% | 0.739 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -63.5 | -43.3 | -159.1 | -67.6 | 177.6 | -179 | 172.7 | 0 | 115.2 | E53 T57 V58 V59 | E53-K55 VanDerWaalsContact C-N 3.26Å; E53-K55 PolarHBondContact O-N 3.24Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 2.94Å; K55-V58 PolarHBondContact O-N 3.09Å; K55-V58 VanDerWaalsContact O-N 3.12Å; K55-V59 PolarHBondContact O-N 2.82Å |
| 56 | A | 67.4 | Low | 71.4 | Confident | 66 Ų | 66 | 118.4 Ų | 118.4 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -58.6 | -42.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V54 V58 V59 D60 | V54-A56 PolarHBondContact O-N 3.43Å; A56-V58 PolarHBondContact O-N 3.24Å; A56-V58 VanDerWaalsContact O-N 3.09Å; A56-V59 PolarHBondContact O-N 3.45Å; A56-D60 PolarHBondContact O-N 3.49Å; A56-D60 VanDerWaalsContact O-N 3.12Å |
| 57 | T | 81.6 | Confident | 73.3 | Confident | 67 Ų | 67 | 117.7 Ų | 117.7 | 41% | 0.411 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.3 | -22.7 | -179.2 | 77.2 | 0 | 0 | 0 | 0 | 113.8 | V54 K55 R61 | V54-T57 PolarHBondContact O-N 3.19Å; V54-T57 PolarHBondContact O-OG1 2.89Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 2.94Å; T57-R61 WeakPolarHBondContact O-CG 3.48Å; T57-R61 PolarHBondContact O-NE 3.09Å; T57-R61 PolarHBondContact OG1-NH2 3.48Å |
| 58 | V | 87.3 | Confident | 75.4 | Confident | 64 Ų | 64 | 116.4 Ų | 116.4 | 39% | 0.388 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -83.7 | -43.5 | -179.9 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | K55 A56 R61 L62 | K55-V58 PolarHBondContact O-N 3.09Å; K55-V58 VanDerWaalsContact O-N 3.12Å; A56-V58 PolarHBondContact O-N 3.24Å; A56-V58 VanDerWaalsContact O-N 3.09Å; V58-R61 PolarHBondContact O-N 3.36Å; V58-L62 HydrophobicContact CG1-CD1 3.99Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 WeakPolarHBondContact O-CG 3.29Å; V58-L62 PolarHBondContact O-N 3.34Å |
| 59 | V | 89.7 | Confident | 77.5 | Confident | 88 Ų | 88 | 110 Ų | 110 | 53% | 0.533 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.5 | -47 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | K55 A56 R61 L62 Q63 | K55-V59 PolarHBondContact O-N 2.82Å; A56-V59 PolarHBondContact O-N 3.45Å; V59-R61 VanDerWaalsContact C-N 3.29Å; V59-R61 PolarHBondContact O-N 3.12Å; V59-L62 PolarHBondContact O-N 3.37Å; V59-Q63 WeakPolarHBondContact O-CB 3.35Å; V59-Q63 PolarHBondContact O-N 3.11Å |
| 60 | D | 89.9 | Confident | 79.8 | Confident | 83 Ų | 83 | 109.1 Ų | 109.1 | 44% | 0.444 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.7 | -39.2 | 176.8 | -77.4 | -15.1 | 0 | 0 | 0 | 113.1 | A56 K64 | A56-D60 PolarHBondContact O-N 3.49Å; A56-D60 VanDerWaalsContact O-N 3.12Å; D60-K64 WeakPolarHBondContact O-CB 3.35Å; D60-K64 VanDerWaalsContact O-CD 3.29Å; D60-K64 WeakPolarHBondContact O-CD 3.38Å; D60-K64 VanDerWaalsContact O-CG 3.23Å; D60-K64 WeakPolarHBondContact O-CG 3.45Å; D60-K64 PolarHBondContact O-N 3.1Å; D60-K64 VanDerWaalsContact O-N 3.1Å |
| 61 | R | 90.9 | Very high | 82 | Confident | 144 Ų | 144 | 106.3 Ų | 106.3 | 54% | 0.543 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71 | -43.8 | 178.1 | -80.5 | -178.1 | -77.8 | -176 | -3.5 | 111.1 | T57 V58 V59 K64 I65 | T57-R61 WeakPolarHBondContact O-CG 3.48Å; T57-R61 PolarHBondContact O-NE 3.09Å; T57-R61 PolarHBondContact OG1-NH2 3.48Å; V58-R61 PolarHBondContact O-N 3.36Å; V59-R61 VanDerWaalsContact C-N 3.29Å; V59-R61 PolarHBondContact O-N 3.12Å; R61-K64 PolarHBondContact O-N 3.32Å; R61-I65 WeakPolarHBondContact O-CB 3.22Å; R61-I65 WeakPolarHBondContact O-CD1 3.25Å; R61-I65 VanDerWaalsContact O-CG1 3.25Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 2.83Å |
| 62 | L | 92.7 | Very high | 84.1 | Confident | 108 Ų | 108 | 104.4 Ų | 104.4 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.4 | -44.9 | 175.1 | -72.9 | 171.5 | 0 | 0 | 0 | 111.6 | V58 V59 K64 I65 L66 | V58-L62 HydrophobicContact CG1-CD1 3.99Å; V58-L62 HydrophobicContact CG1-CG 4.4Å; V58-L62 WeakPolarHBondContact O-CB 3.35Å; V58-L62 WeakPolarHBondContact O-CG 3.29Å; V58-L62 PolarHBondContact O-N 3.34Å; V59-L62 PolarHBondContact O-N 3.37Å; L62-K64 PolarHBondContact O-N 3.31Å; L62-I65 PolarHBondContact O-N 2.96Å; L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 3.38Å |
| 63 | Q | 91.8 | Very high | 85.8 | Confident | 113 Ų | 113 | 104.3 Ų | 104.3 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.9 | -179.2 | 176.7 | -17.7 | 0 | 0 | 111.8 | V59 L66 L67 | V59-Q63 WeakPolarHBondContact O-CB 3.35Å; V59-Q63 PolarHBondContact O-N 3.11Å; Q63-L66 PolarHBondContact O-N 3.3Å; Q63-L67 HydrophobicContact CG-CD1 4.13Å; Q63-L67 WeakPolarHBondContact O-CB 3.5Å; Q63-L67 VanDerWaalsContact O-CG 3.29Å; Q63-L67 WeakPolarHBondContact O-CG 3.29Å; Q63-L67 PolarHBondContact O-N 2.94Å |
| 64 | K | 92.6 | Very high | 87.6 | Confident | 123 Ų | 123 | 100.5 Ų | 100.5 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.1 | -73.8 | 161.9 | -172 | 158.7 | 0 | 111.6 | D60 R61 L62 L67 F68 | D60-K64 WeakPolarHBondContact O-CB 3.35Å; D60-K64 VanDerWaalsContact O-CD 3.29Å; D60-K64 WeakPolarHBondContact O-CD 3.38Å; D60-K64 VanDerWaalsContact O-CG 3.23Å; D60-K64 WeakPolarHBondContact O-CG 3.45Å; D60-K64 PolarHBondContact O-N 3.1Å; D60-K64 VanDerWaalsContact O-N 3.1Å; R61-K64 PolarHBondContact O-N 3.32Å; L62-K64 PolarHBondContact O-N 3.31Å; K64-L67 PolarHBondContact O-N 3.4Å; K64-F68 WeakPolarHBondContact O-CD2 3.23Å; K64-F68 PolarHBondContact O-N 3.38Å; K64-F68 VanDerWaalsContact O-N 3.16Å |
| 65 | I | 92.3 | Very high | 89.2 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.4 | -68.5 | 163.8 | 0 | 0 | 0 | 110.6 | R61 L62 L67 F68 T69 | R61-I65 WeakPolarHBondContact O-CB 3.22Å; R61-I65 WeakPolarHBondContact O-CD1 3.25Å; R61-I65 VanDerWaalsContact O-CG1 3.25Å; R61-I65 WeakPolarHBondContact O-CG1 3.46Å; R61-I65 PolarHBondContact O-N 2.83Å; L62-I65 PolarHBondContact O-N 2.96Å; I65-L67 PolarHBondContact O-N 2.92Å; I65-F68 PolarHBondContact O-N 3.17Å; I65-T69 HydrophobicContact CG2-CG2 4.31Å; I65-T69 WeakPolarHBondContact O-CG2 3.43Å; I65-T69 PolarHBondContact O-N 3.1Å; I65-T69 PolarHBondContact O-OG1 3.16Å |
| 66 | L | 93.9 | Very high | 90.9 | Very high | 96 Ų | 96 | 93.2 Ų | 93.2 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -41.1 | -179.5 | -172.8 | 155.7 | 0 | 0 | 0 | 112.2 | L62 Q63 T69 L70 | L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 3.38Å; Q63-L66 PolarHBondContact O-N 3.3Å; L66-T69 WeakPolarHBondContact CA-OG1 3.13Å; L66-T69 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-OG1 2.69Å; L66-T69 VanDerWaalsContact O-OG1 3.1Å; L66-L70 HydrophobicContact CD2-CD1 3.58Å; L66-L70 HydrophobicContact CD2-CG 4.08Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 WeakPolarHBondContact O-CG 3.12Å; L66-L70 PolarHBondContact O-N 3.46Å |
| 67 | L | 94.7 | Very high | 92.1 | Very high | 102 Ų | 102 | 93.9 Ų | 93.9 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.4 | -72.9 | 166.5 | 0 | 0 | 0 | 111.8 | Q63 K64 I65 L71 | Q63-L67 HydrophobicContact CG-CD1 4.13Å; Q63-L67 WeakPolarHBondContact O-CB 3.5Å; Q63-L67 VanDerWaalsContact O-CG 3.29Å; Q63-L67 WeakPolarHBondContact O-CG 3.29Å; Q63-L67 PolarHBondContact O-N 2.94Å; K64-L67 PolarHBondContact O-N 3.4Å; I65-L67 PolarHBondContact O-N 2.92Å; L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 PolarHBondContact O-N 3.14Å |
| 68 | F | 93.6 | Very high | 92.6 | Very high | 149 Ų | 149 | 94.8 Ų | 94.8 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -37.1 | 176.3 | -76 | -61.5 | 0 | 0 | 0 | 113 | K64 I65 L71 W72 | K64-F68 WeakPolarHBondContact O-CD2 3.23Å; K64-F68 PolarHBondContact O-N 3.38Å; K64-F68 VanDerWaalsContact O-N 3.16Å; I65-F68 PolarHBondContact O-N 3.17Å; F68-L71 PolarHBondContact O-N 2.76Å; F68-W72 WeakPolarHBondContact O-CB 3.47Å; F68-W72 PolarHBondContact O-N 2.87Å |
| 69 | T | 93.3 | Very high | 92.9 | Very high | 65 Ų | 65 | 92.3 Ų | 92.3 | 40% | 0.399 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.8 | -37.6 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | I65 L66 W72 L73 | I65-T69 HydrophobicContact CG2-CG2 4.31Å; I65-T69 WeakPolarHBondContact O-CG2 3.43Å; I65-T69 PolarHBondContact O-N 3.1Å; I65-T69 PolarHBondContact O-OG1 3.16Å; L66-T69 WeakPolarHBondContact CA-OG1 3.13Å; L66-T69 PolarHBondContact O-N 3.46Å; L66-T69 PolarHBondContact O-OG1 2.69Å; L66-T69 VanDerWaalsContact O-OG1 3.1Å; T69-W72 PolarHBondContact O-N 3.2Å; T69-L73 WeakPolarHBondContact O-CB 3.46Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.4Å; T69-L73 PolarHBondContact O-N 3.12Å |
| 70 | L | 95 | Very high | 93 | Very high | 101 Ų | 101 | 93.2 Ų | 93.2 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 171.8 | -74.4 | -178.1 | 0 | 0 | 0 | 112 | L66 L73 L74 | L66-L70 HydrophobicContact CD2-CD1 3.58Å; L66-L70 HydrophobicContact CD2-CG 4.08Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 WeakPolarHBondContact O-CG 3.12Å; L66-L70 PolarHBondContact O-N 3.46Å; L70-L73 PolarHBondContact O-N 2.85Å; L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.34Å |
| 71 | L | 94.8 | Very high | 93.2 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 175.5 | -178.9 | 61 | 0 | 0 | 0 | 111.7 | L67 F68 L74 L75 | L67-L71 WeakPolarHBondContact O-CB 3.29Å; L67-L71 PolarHBondContact O-N 3.14Å; F68-L71 PolarHBondContact O-N 2.76Å; L71-L74 PolarHBondContact O-N 3.48Å; L71-L75 HydrophobicContact CD1-CD1 4.06Å; L71-L75 HydrophobicContact CG-CD1 4.48Å; L71-L75 WeakPolarHBondContact O-CD1 3.44Å; L71-L75 PolarHBondContact O-N 2.87Å |
| 72 | W | 93.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 97 Ų | 97 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175 | 178.7 | 79.7 | 0 | 0 | 0 | 112.4 | F68 T69 L74 L75 L76 Y88 S92 | F68-W72 WeakPolarHBondContact O-CB 3.47Å; F68-W72 PolarHBondContact O-N 2.87Å; T69-W72 PolarHBondContact O-N 3.2Å; W72-L74 VanDerWaalsContact C-N 3.34Å; W72-L75 PolarHBondContact O-N 2.97Å; W72-L76 HydrophobicContact CH2-CD2 4.27Å; W72-L76 HydrophobicContact CZ3-CD2 4.36Å; W72-L76 WeakPolarHBondContact O-CB 3.38Å; W72-L76 PolarHBondContact O-N 3.23Å; W72-Y88 AromaticContact CD1-CE1 3.82Å; W72-Y88 AromaticContact CD1-CZ 3.84Å; W72-Y88 AromaticContact CE2-CE1 3.99Å; W72-Y88 AromaticContact NE1-CE1 3.45Å; W72-Y88 AromaticContact NE1-CZ 3.84Å; W72-S92 WeakPolarHBondContact CZ2-OG 3.41Å; W72-S92 VanDerWaalsContact NE1-CB 3.31Å; W72-S92 PolarHBondContact NE1-OG 3.35Å |
| 73 | L | 94.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 100.9 Ų | 100.9 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -34.2 | 174.3 | -73.3 | 171.8 | 0 | 0 | 0 | 112.7 | T69 L70 L76 S77 | T69-L73 WeakPolarHBondContact O-CB 3.46Å; T69-L73 VanDerWaalsContact O-CG 3.29Å; T69-L73 WeakPolarHBondContact O-CG 3.4Å; T69-L73 PolarHBondContact O-N 3.12Å; L70-L73 PolarHBondContact O-N 2.85Å; L73-L76 HydrophobicContact CD2-CD2 4.14Å; L73-L76 PolarHBondContact O-N 3.04Å; L73-S77 WeakPolarHBondContact O-CB 3.26Å; L73-S77 PolarHBondContact O-N 3.07Å |
| 74 | L | 94.7 | Very high | 93.2 | Very high | 105 Ų | 105 | 100.9 Ų | 100.9 | 55% | 0.55 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 173.9 | -170.5 | 154.4 | 0 | 0 | 0 | 110.9 | L70 L71 W72 L76 S77 V78 | L70-L74 WeakPolarHBondContact O-CB 3.41Å; L70-L74 PolarHBondContact O-N 3.34Å; L71-L74 PolarHBondContact O-N 3.48Å; W72-L74 VanDerWaalsContact C-N 3.34Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-L76 PolarHBondContact O-N 2.91Å; L74-S77 WeakPolarHBondContact O-CB 3.22Å; L74-S77 PolarHBondContact O-N 3.34Å; L74-V78 HydrophobicContact CD2-CG2 4.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.35Å |
| 75 | L | 92.3 | Very high | 93.2 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 41% | 0.408 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 173 | -94.5 | 66.5 | 0 | 0 | 0 | 112.2 | L71 W72 S77 V78 A79 Y88 | L71-L75 HydrophobicContact CD1-CD1 4.06Å; L71-L75 HydrophobicContact CG-CD1 4.48Å; L71-L75 WeakPolarHBondContact O-CD1 3.44Å; L71-L75 PolarHBondContact O-N 2.87Å; W72-L75 PolarHBondContact O-N 2.97Å; L75-S77 VanDerWaalsContact C-N 3.35Å; L75-V78 PolarHBondContact O-N 3.34Å; L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 2.81Å; L75-Y88 HydrophobicContact CB-CE1 4.34Å; L75-Y88 HydrophobicContact CB-CE2 4.05Å; L75-Y88 VanDerWaalsContact CB-OH 3.27Å; L75-Y88 WeakPolarHBondContact CB-OH 3.48Å; L75-Y88 HydrophobicContact CD2-CE2 4.23Å |
| 76 | L | 92.7 | Very high | 93.1 | Very high | 33 Ų | 33 | 94.8 Ų | 94.8 | 17% | 0.173 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 173.7 | 178.1 | 66.3 | 0 | 0 | 0 | 111.4 | W72 L73 L74 A79 I80 Y88 A89 | W72-L76 HydrophobicContact CH2-CD2 4.27Å; W72-L76 HydrophobicContact CZ3-CD2 4.36Å; W72-L76 WeakPolarHBondContact O-CB 3.38Å; W72-L76 PolarHBondContact O-N 3.23Å; L73-L76 HydrophobicContact CD2-CD2 4.14Å; L73-L76 PolarHBondContact O-N 3.04Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-L76 PolarHBondContact O-N 2.91Å; L76-A79 PolarHBondContact O-N 3.2Å; L76-I80 HydrophobicContact CD1-CD1 4.34Å; L76-I80 HydrophobicContact CG-CD1 4.05Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 2.94Å; L76-Y88 HydrophobicContact CB-CD1 4.03Å; L76-Y88 HydrophobicContact CB-CE1 3.95Å; L76-Y88 HydrophobicContact CD1-CD1 3.79Å; L76-Y88 HydrophobicContact CD1-CE1 4.49Å; L76-A89 HydrophobicContact CD1-CB 4.36Å |
| 77 | S | 91.8 | Very high | 93.1 | Very high | 79 Ų | 79 | 93.5 Ų | 93.5 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 112.2 | L73 L74 L75 A79 I80 Y81 | L73-S77 WeakPolarHBondContact O-CB 3.26Å; L73-S77 PolarHBondContact O-N 3.07Å; L74-S77 WeakPolarHBondContact O-CB 3.22Å; L74-S77 PolarHBondContact O-N 3.34Å; L75-S77 VanDerWaalsContact C-N 3.35Å; S77-A79 PolarHBondContact O-N 3.05Å; S77-I80 PolarHBondContact O-N 3.03Å; S77-Y81 PolarHBondContact O-N 3.07Å; S77-Y81 VanDerWaalsContact O-N 3.11Å |
| 78 | V | 93.5 | Very high | 93.1 | Very high | 87 Ų | 87 | 90.9 Ų | 90.9 | 53% | 0.527 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 173.8 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | L74 L75 I80 Y81 V82 | L74-V78 HydrophobicContact CD2-CG2 4.3Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.35Å; L75-V78 PolarHBondContact O-N 3.34Å; V78-I80 VanDerWaalsContact C-N 3.34Å; V78-I80 PolarHBondContact O-N 3.47Å; V78-Y81 PolarHBondContact O-N 3.39Å; V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 2.93Å |
| 79 | A | 92.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 85.7 Ų | 85.7 | 10% | 0.099 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.8 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L75 L76 S77 V82 E83 F84 G85 Y88 | L75-A79 WeakPolarHBondContact O-CB 3.42Å; L75-A79 PolarHBondContact O-N 2.81Å; L76-A79 PolarHBondContact O-N 3.2Å; S77-A79 PolarHBondContact O-N 3.05Å; A79-V82 CarbonylContact O-C 3.56Å; A79-V82 PolarHBondContact O-N 3.02Å; A79-E83 PolarHBondContact O-N 3.24Å; A79-F84 CarbonylContact O-C 3.54Å; A79-F84 PolarHBondContact O-N 3.46Å; A79-G85 PolarHBondContact O-N 3.19Å; A79-Y88 HydrophobicContact CB-CD2 4.41Å; A79-Y88 HydrophobicContact CB-CG 3.98Å |
| 80 | I | 92.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 87.3 Ų | 87.3 | 55% | 0.549 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 173.2 | -70.8 | 162.8 | 0 | 0 | 0 | 110.9 | L76 S77 V78 V82 E83 | L76-I80 HydrophobicContact CD1-CD1 4.34Å; L76-I80 HydrophobicContact CG-CD1 4.05Å; L76-I80 VanDerWaalsContact O-CG1 3.27Å; L76-I80 WeakPolarHBondContact O-CG1 3.17Å; L76-I80 PolarHBondContact O-N 2.94Å; S77-I80 PolarHBondContact O-N 3.03Å; V78-I80 VanDerWaalsContact C-N 3.34Å; V78-I80 PolarHBondContact O-N 3.47Å; I80-V82 PolarHBondContact O-N 3.49Å; I80-E83 PolarHBondContact O-N 2.69Å |
| 81 | Y | 92.9 | Very high | 93.1 | Very high | 209 Ų | 209 | 85.2 Ų | 85.2 | 82% | 0.82 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.9 | -28.4 | 175.3 | -177.3 | -92.4 | 0 | 0 | 0 | 113.2 | S77 V78 E83 | S77-Y81 PolarHBondContact O-N 3.07Å; S77-Y81 VanDerWaalsContact O-N 3.11Å; V78-Y81 PolarHBondContact O-N 3.39Å; Y81-E83 VanDerWaalsContact C-N 3.26Å; Y81-E83 PolarHBondContact O-N 3.03Å |
| 82 | V | 92.7 | Very high | 93 | Very high | 97 Ų | 97 | 81.2 Ų | 81.2 | 59% | 0.588 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 14.7 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 111.5 | V78 A79 I80 F84 | V78-V82 WeakPolarHBondContact O-CG2 3.41Å; V78-V82 PolarHBondContact O-N 2.93Å; A79-V82 CarbonylContact O-C 3.56Å; A79-V82 PolarHBondContact O-N 3.02Å; I80-V82 PolarHBondContact O-N 3.49Å; V82-F84 PolarHBondContact O-N 2.95Å |
| 83 | E | 92 | Very high | 93 | Very high | 189 Ų | 189 | 79.7 Ų | 79.7 | 88% | 0.883 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 0.9 | -175.4 | -54.5 | -171.6 | 132.9 | 0 | 0 | 115.2 | A79 I80 Y81 | A79-E83 PolarHBondContact O-N 3.24Å; I80-E83 PolarHBondContact O-N 2.69Å; Y81-E83 VanDerWaalsContact C-N 3.26Å; Y81-E83 PolarHBondContact O-N 3.03Å |
| 84 | F | 91.8 | Very high | 93 | Very high | 113 Ų | 113 | 82.4 Ų | 82.4 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | trans | -92.9 | 1.8 | -173.2 | -160.9 | -109.4 | 0 | 0 | 0 | 113.6 | A79 V82 C86 V87 Y88 | A79-F84 CarbonylContact O-C 3.54Å; A79-F84 PolarHBondContact O-N 3.46Å; V82-F84 PolarHBondContact O-N 2.95Å; F84-C86 PolarHBondContact O-N 3.15Å; F84-C86 VanDerWaalsContact O-N 3.09Å; F84-V87 HydrophobicContact CD1-CB 4.06Å; F84-V87 HydrophobicContact CD2-CB 4.1Å; F84-V87 HydrophobicContact CD2-CG2 4.06Å; F84-V87 HydrophobicContact CE1-CB 3.72Å; F84-V87 HydrophobicContact CE1-CG1 3.78Å; F84-V87 HydrophobicContact CE2-CB 3.77Å; F84-V87 HydrophobicContact CE2-CG1 3.95Å; F84-V87 HydrophobicContact CE2-CG2 3.8Å; F84-V87 HydrophobicContact CG-CB 4.25Å; F84-V87 HydrophobicContact CZ-CB 3.58Å; F84-V87 HydrophobicContact CZ-CG1 3.41Å; F84-V87 VanDerWaalsContact CZ-CG1 3.41Å; F84-V87 HydrophobicContact CZ-CG2 4.13Å; F84-V87 PolarHBondContact O-N 3.36Å; F84-Y88 PolarHBondContact O-N 3.46Å; F84-Y88 VanDerWaalsContact O-N 3.13Å | ||
| 85 | G | 91.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 81.4 Ų | 81.4 | 8% | 0.082 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -53.1 | -34.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A79 Y88 A89 | A79-G85 PolarHBondContact O-N 3.19Å; G85-Y88 PolarHBondContact O-N 2.97Å; G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 3.44Å |
| 86 | C | 90.8 | Very high | 92.8 | Very high | 90 Ų | 90 | 81.8 Ų | 81.8 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.6 | -44.9 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | F84 A89 L90 | F84-C86 PolarHBondContact O-N 3.15Å; F84-C86 VanDerWaalsContact O-N 3.09Å; C86-A89 PolarHBondContact O-N 3.23Å; C86-L90 WeakPolarHBondContact O-CB 3.41Å; C86-L90 WeakPolarHBondContact O-CG 3.41Å; C86-L90 PolarHBondContact O-N 2.76Å |
| 87 | V | 94.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 85.5 Ų | 85.5 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -71.7 | -34.3 | -179.7 | -172.4 | 0 | 0 | 0 | 0 | 110.9 | F84 S91 | F84-V87 HydrophobicContact CD1-CB 4.06Å; F84-V87 HydrophobicContact CD2-CB 4.1Å; F84-V87 HydrophobicContact CD2-CG2 4.06Å; F84-V87 HydrophobicContact CE1-CB 3.72Å; F84-V87 HydrophobicContact CE1-CG1 3.78Å; F84-V87 HydrophobicContact CE2-CB 3.77Å; F84-V87 HydrophobicContact CE2-CG1 3.95Å; F84-V87 HydrophobicContact CE2-CG2 3.8Å; F84-V87 HydrophobicContact CG-CB 4.25Å; F84-V87 HydrophobicContact CZ-CB 3.58Å; F84-V87 HydrophobicContact CZ-CG1 3.41Å; F84-V87 VanDerWaalsContact CZ-CG1 3.41Å; F84-V87 HydrophobicContact CZ-CG2 4.13Å; F84-V87 PolarHBondContact O-N 3.36Å; V87-S91 VanDerWaalsContact O-CB 3.28Å; V87-S91 WeakPolarHBondContact O-CB 3.41Å; V87-S91 PolarHBondContact O-N 3.19Å; V87-S91 PolarHBondContact O-OG 2.83Å |
| 88 | Y | 94.2 | Very high | 92.7 | Very high | 47 Ų | 47 | 90.5 Ų | 90.5 | 18% | 0.184 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 170.5 | -174.6 | -92.2 | 0 | 0 | 0 | 112 | W72 L75 L76 A79 F84 G85 S91 S92 | W72-Y88 AromaticContact CD1-CE1 3.82Å; W72-Y88 AromaticContact CD1-CZ 3.84Å; W72-Y88 AromaticContact CE2-CE1 3.99Å; W72-Y88 AromaticContact NE1-CE1 3.45Å; W72-Y88 AromaticContact NE1-CZ 3.84Å; L75-Y88 HydrophobicContact CB-CE1 4.34Å; L75-Y88 HydrophobicContact CB-CE2 4.05Å; L75-Y88 VanDerWaalsContact CB-OH 3.27Å; L75-Y88 WeakPolarHBondContact CB-OH 3.48Å; L75-Y88 HydrophobicContact CD2-CE2 4.23Å; L76-Y88 HydrophobicContact CB-CD1 4.03Å; L76-Y88 HydrophobicContact CB-CE1 3.95Å; L76-Y88 HydrophobicContact CD1-CD1 3.79Å; L76-Y88 HydrophobicContact CD1-CE1 4.49Å; A79-Y88 HydrophobicContact CB-CD2 4.41Å; A79-Y88 HydrophobicContact CB-CG 3.98Å; F84-Y88 PolarHBondContact O-N 3.46Å; F84-Y88 VanDerWaalsContact O-N 3.13Å; G85-Y88 PolarHBondContact O-N 2.97Å; Y88-S91 PolarHBondContact O-OG 2.67Å; Y88-S92 WeakPolarHBondContact O-CB 3.04Å; Y88-S92 PolarHBondContact O-N 3.4Å; Y88-S92 PolarHBondContact O-OG 2.99Å |
| 89 | A | 92.6 | Very high | 92.4 | Very high | 40 Ų | 40 | 90.2 Ų | 90.2 | 33% | 0.331 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L76 G85 C86 S92 A93 | L76-A89 HydrophobicContact CD1-CB 4.36Å; G85-A89 WeakPolarHBondContact O-CB 3.33Å; G85-A89 PolarHBondContact O-N 3.44Å; C86-A89 PolarHBondContact O-N 3.23Å; A89-S92 PolarHBondContact O-OG 2.99Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 3.18Å |
| 90 | L | 95.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 177.6 | -72.1 | 170.7 | 0 | 0 | 0 | 112.2 | C86 S92 A93 F94 | C86-L90 WeakPolarHBondContact O-CB 3.41Å; C86-L90 WeakPolarHBondContact O-CG 3.41Å; C86-L90 PolarHBondContact O-N 2.76Å; L90-S92 PolarHBondContact O-N 2.79Å; L90-A93 PolarHBondContact O-N 2.81Å; L90-F94 WeakPolarHBondContact O-CD2 3.32Å; L90-F94 PolarHBondContact O-N 3.4Å |
| 91 | S | 94.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 94.2 Ų | 94.2 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.1 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | V87 Y88 F94 V95 | V87-S91 VanDerWaalsContact O-CB 3.28Å; V87-S91 WeakPolarHBondContact O-CB 3.41Å; V87-S91 PolarHBondContact O-N 3.19Å; V87-S91 PolarHBondContact O-OG 2.83Å; Y88-S91 PolarHBondContact O-OG 2.67Å; S91-F94 PolarHBondContact O-N 2.89Å; S91-V95 WeakPolarHBondContact O-CG2 3.43Å; S91-V95 PolarHBondContact O-N 2.78Å |
| 92 | S | 92.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 87.6 Ų | 87.6 | 10% | 0.098 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 174.3 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | W72 Y88 A89 L90 V95 I96 | W72-S92 WeakPolarHBondContact CZ2-OG 3.41Å; W72-S92 VanDerWaalsContact NE1-CB 3.31Å; W72-S92 PolarHBondContact NE1-OG 3.35Å; Y88-S92 WeakPolarHBondContact O-CB 3.04Å; Y88-S92 PolarHBondContact O-N 3.4Å; Y88-S92 PolarHBondContact O-OG 2.99Å; A89-S92 PolarHBondContact O-OG 2.99Å; L90-S92 PolarHBondContact O-N 2.79Å; S92-V95 PolarHBondContact O-N 3.36Å; S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.43Å; S92-I96 VanDerWaalsContact O-CG1 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.23Å; S92-I96 PolarHBondContact O-N 2.88Å |
| 93 | A | 92.5 | Very high | 88.8 | Confident | 54 Ų | 54 | 91.7 Ų | 91.7 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | A89 L90 I96 L97 | A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.47Å; A89-A93 PolarHBondContact O-N 3.18Å; L90-A93 PolarHBondContact O-N 2.81Å; A93-I96 PolarHBondContact O-N 2.99Å; A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 3.49Å |
| 94 | F | 94.4 | Very high | 87.3 | Confident | 142 Ų | 142 | 92.8 Ų | 92.8 | 62% | 0.623 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 172.4 | -80.3 | -65.1 | 0 | 0 | 0 | 112.3 | L90 S91 L97 W98 | L90-F94 WeakPolarHBondContact O-CD2 3.32Å; L90-F94 PolarHBondContact O-N 3.4Å; S91-F94 PolarHBondContact O-N 2.89Å; F94-L97 PolarHBondContact O-N 3.02Å; F94-W98 VanDerWaalsContact O-CB 3.27Å; F94-W98 WeakPolarHBondContact O-CB 3.46Å; F94-W98 PolarHBondContact O-N 3.34Å |
| 95 | V | 91.7 | Very high | 85.6 | Confident | 84 Ų | 84 | 95.7 Ų | 95.7 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.8 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | S91 S92 W98 L99 | S91-V95 WeakPolarHBondContact O-CG2 3.43Å; S91-V95 PolarHBondContact O-N 2.78Å; S92-V95 PolarHBondContact O-N 3.36Å; V95-W98 PolarHBondContact O-N 3.48Å; V95-L99 HydrophobicContact CG1-CD1 3.8Å; V95-L99 HydrophobicContact CG1-CG 4.36Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.04Å |
| 96 | I | 91 | Very high | 83.8 | Confident | 87 Ų | 87 | 104.6 Ų | 104.6 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.9 | -70.5 | 163.9 | 0 | 0 | 0 | 110.4 | S92 A93 L99 N100 | S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.43Å; S92-I96 VanDerWaalsContact O-CG1 3.23Å; S92-I96 WeakPolarHBondContact O-CG1 3.23Å; S92-I96 PolarHBondContact O-N 2.88Å; A93-I96 PolarHBondContact O-N 2.99Å; I96-L99 PolarHBondContact O-N 3.49Å; I96-N100 WeakPolarHBondContact O-CB 3.49Å; I96-N100 PolarHBondContact O-N 3.36Å; I96-N100 PolarHBondContact O-ND2 2.92Å |
| 97 | L | 91.7 | Very high | 82 | Confident | 111 Ų | 111 | 108.4 Ų | 108.4 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.7 | -45.8 | 176.6 | 179.1 | 60.6 | 0 | 0 | 0 | 111.3 | A93 F94 N100 T101 | A93-L97 WeakPolarHBondContact O-CB 3.44Å; A93-L97 PolarHBondContact O-N 3.49Å; F94-L97 PolarHBondContact O-N 3.02Å; L97-N100 PolarHBondContact O-N 3.24Å; L97-T101 WeakPolarHBondContact O-CB 3.29Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.4Å |
| 98 | W | 90.5 | Very high | 79.9 | Confident | 184 Ų | 184 | 110.7 Ų | 110.7 | 70% | 0.697 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 177.4 | -172.4 | -92.1 | 0 | 0 | 0 | 112.1 | F94 V95 N100 S102 | F94-W98 VanDerWaalsContact O-CB 3.27Å; F94-W98 WeakPolarHBondContact O-CB 3.46Å; F94-W98 PolarHBondContact O-N 3.34Å; V95-W98 PolarHBondContact O-N 3.48Å; W98-N100 VanDerWaalsContact C-N 3.35Å; W98-N100 PolarHBondContact O-N 3.33Å; W98-S102 WeakPolarHBondContact O-CB 3.44Å; W98-S102 PolarHBondContact O-N 3.35Å |
| 99 | L | 86.7 | Confident | 77.8 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 42% | 0.424 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.5 | -33.8 | 178.8 | -72.7 | 171.6 | 0 | 0 | 0 | 113.1 | V95 I96 R103 | V95-L99 HydrophobicContact CG1-CD1 3.8Å; V95-L99 HydrophobicContact CG1-CG 4.36Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.04Å; I96-L99 PolarHBondContact O-N 3.49Å; L99-R103 WeakPolarHBondContact O-CG 3.4Å |
| 100 | N | 87.6 | Confident | 76 | Confident | 113 Ų | 113 | 119.1 Ų | 119.1 | 60% | 0.604 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.7 | -43.8 | 176.4 | -82.5 | -80.3 | 0 | 0 | 0 | 112.6 | I96 L97 W98 | I96-N100 WeakPolarHBondContact O-CB 3.49Å; I96-N100 PolarHBondContact O-N 3.36Å; I96-N100 PolarHBondContact O-ND2 2.92Å; L97-N100 PolarHBondContact O-N 3.24Å; W98-N100 VanDerWaalsContact C-N 3.35Å; W98-N100 PolarHBondContact O-N 3.33Å |
| 101 | T | 83.3 | Confident | 73.9 | Confident | 90 Ų | 90 | 117.5 Ų | 117.5 | 55% | 0.552 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.2 | -41.7 | -177.1 | -162.5 | 0 | 0 | 0 | 0 | 112.4 | L97 R103 R104 | L97-T101 WeakPolarHBondContact O-CB 3.29Å; L97-T101 VanDerWaalsContact O-CG2 3.29Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.4Å; T101-R103 PolarHBondContact O-N 2.89Å; T101-R104 PolarHBondContact O-N 3.47Å |
| 102 | S | 67.1 | Low | 71.9 | Confident | 70 Ų | 70 | 123.4 Ų | 123.4 | 49% | 0.49 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.1 | -30.5 | -169.4 | -168.6 | 0 | 0 | 0 | 0 | 113.7 | W98 R104 | W98-S102 WeakPolarHBondContact O-CB 3.44Å; W98-S102 PolarHBondContact O-N 3.35Å; S102-R104 PolarHBondContact O-N 2.96Å |
| 103 | R | 59.5 | Low | 70.3 | Confident | 183 Ų | 183 | 130.2 Ų | 130.2 | 69% | 0.691 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -75.6 | -17.7 | -176.8 | -66.2 | -176.3 | -170.5 | -105 | 4.6 | 114.8 | L99 T101 K105 | L99-R103 WeakPolarHBondContact O-CG 3.4Å; T101-R103 PolarHBondContact O-N 2.89Å; R103-K105 PolarHBondContact O-N 2.9Å |
| 104 | R | 58.9 | Low | 69 | Low | 212 Ų | 212 | 133.9 Ų | 133.9 | 80% | 0.8 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -72.2 | -6.2 | -175.8 | -74.5 | -76.2 | -177 | 164.5 | 0.4 | 115.1 | T101 S102 | T101-R104 PolarHBondContact O-N 3.47Å; S102-R104 PolarHBondContact O-N 2.96Å |
| 105 | K | 56.3 | Low | 67.7 | Low | 174 Ų | 174 | 129.7 Ų | 129.7 | 76% | 0.757 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -109.7 | 9.3 | -159 | -120.3 | -177.3 | -176.7 | -176.3 | 0 | 117.5 | R103 | R103-K105 PolarHBondContact O-N 2.9Š|
| 106 | K | 54.8 | Low | 67.1 | Low | 194 Ų | 194 | 127.6 Ų | 127.6 | 84% | 0.843 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -145.9 | -10.4 | -171.3 | -73.4 | -161.9 | 175 | -170.2 | 0 | 119.9 | ||
| 107 | Q | 53.2 | Low | 66.5 | Low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.794 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -98 | -12.9 | -164.4 | -73.3 | -162.5 | -91.2 | 0 | 0 | 117.7 | ||
| 108 | N | 48.8 | Very low | 66 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | trans | -114.9 | 111 | 178.8 | -68.3 | 9 | 0 | 0 | 0 | 109.7 | A110 Q111 | N108-A110 PolarHBondContact O-N 3.43Å; N108-A110 VanDerWaalsContact O-N 3.12Å; N108-Q111 WeakPolarHBondContact O-CB 3.25Å; N108-Q111 WeakPolarHBondContact O-CG 3.37Å; N108-Q111 PolarHBondContact O-N 3.39Å | ||
| 109 | E | 51.6 | Low | 65.6 | Low | 176 Ų | 176 | 123 Ų | 123 | 82% | 0.822 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -65.1 | -15.5 | 178.6 | -63.7 | 176.1 | 128.8 | 0 | 0 | 112.6 | Q111 Q112 | E109-Q111 PolarHBondContact O-N 2.84Å; E109-Q112 WeakPolarHBondContact O-CG 3.46Å; E109-Q112 PolarHBondContact O-N 2.79Å |
| 110 | A | 53.8 | Low | 65.3 | Low | 88 Ų | 88 | 124.2 Ų | 124.2 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -57.2 | -10.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N108 Q112 | N108-A110 PolarHBondContact O-N 3.43Å; N108-A110 VanDerWaalsContact O-N 3.12Å; A110-Q112 PolarHBondContact O-N 2.86Å |
| 111 | Q | 51.6 | Low | 65 | Low | 66 Ų | 66 | 126.2 Ų | 126.2 | 31% | 0.308 | 62% | 0.622 | S | S | . | * | G | 310 helix | trans | -68 | -4.9 | 173.8 | -75.4 | -164.1 | -43 | 0 | 0 | 114.5 | N108 E109 Q113 Q114 | N108-Q111 WeakPolarHBondContact O-CB 3.25Å; N108-Q111 WeakPolarHBondContact O-CG 3.37Å; N108-Q111 PolarHBondContact O-N 3.39Å; E109-Q111 PolarHBondContact O-N 2.84Å; Q111-Q113 PolarHBondContact O-N 3Å; Q111-Q114 HydrophobicContact CG-CG 4.43Å; Q111-Q114 VanDerWaalsContact CG-NE2 3.33Å; Q111-Q114 PolarHBondContact O-N 3.28Å |
| 112 | Q | 51.4 | Low | 65 | Low | 181 Ų | 181 | 122.5 Ų | 122.5 | 85% | 0.846 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -56.6 | -16 | 172.7 | -74.7 | -176.8 | 2.8 | 0 | 0 | 114.7 | E109 A110 | E109-Q112 WeakPolarHBondContact O-CG 3.46Å; E109-Q112 PolarHBondContact O-N 2.79Å; A110-Q112 PolarHBondContact O-N 2.86Å |
| 113 | Q | 59.8 | Low | 65.5 | Low | 156 Ų | 156 | 123.1 Ų | 123.1 | 73% | 0.729 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -114 | 14 | -177.4 | -141.9 | 170.6 | 3.4 | 0 | 0 | 114.2 | Q111 L115 | Q111-Q113 PolarHBondContact O-N 3Å; Q113-L115 PolarHBondContact O-N 3.34Å; Q113-L115 VanDerWaalsContact O-N 3.14Å |
| 114 | Q | 64.4 | Low | 66.5 | Low | 131 Ų | 131 | 121.2 Ų | 121.2 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | trans | -77.1 | 96.8 | 170.6 | -69.4 | 179.3 | 135.5 | 0 | 0 | 110.2 | Q111 S116 | Q111-Q114 HydrophobicContact CG-CG 4.43Å; Q111-Q114 VanDerWaalsContact CG-NE2 3.33Å; Q111-Q114 PolarHBondContact O-N 3.28Å; Q114-S116 PolarHBondContact O-N 3.18Å | ||
| 115 | L | 68.1 | Low | 67.5 | Low | 54 Ų | 54 | 115.2 Ų | 115.2 | 28% | 0.283 | 60% | 0.595 | S | S | . | * | trans | -57.1 | 121.7 | 172.1 | -64.2 | 109.2 | 0 | 0 | 0 | 110.4 | Q113 N122 E126 L128 | Q113-L115 PolarHBondContact O-N 3.34Å; Q113-L115 VanDerWaalsContact O-N 3.14Å; L115-N122 HydrophobicContact CD2-CB 4.44Å; L115-E126 HydrophobicContact CD2-CB 3.49Å; L115-E126 VanDerWaalsContact CD2-CB 3.49Å; L115-L128 HydrophobicContact CB-CD1 4.01Å; L115-L128 HydrophobicContact CB-CG 4.01Å | ||
| 116 | S | 78.6 | Confident | 68.5 | Low | 41 Ų | 41 | 111 Ų | 111 | 29% | 0.287 | 58% | 0.577 | S | S | . | * | trans | -75.6 | 153.4 | 175.1 | 84.7 | 0 | 0 | 0 | 0 | 110.8 | Q114 Y118 N122 L128 | Q114-S116 PolarHBondContact O-N 3.18Å; S116-Y118 PolarHBondContact O-N 3.13Å; S116-Y118 PolarHBondContact OG-O 3.02Å; S116-N122 WeakPolarHBondContact CA-OD1 3.47Å; S116-N122 WeakPolarHBondContact CB-OD1 3.3Å; S116-N122 PolarHBondContact N-OD1 2.95Å; S116-N122 PolarHBondContact O-ND2 2.89Å; S116-N122 PolarHBondContact O-OD1 2.68Å; S116-N122 PolarHBondContact OG-OD1 3.26Å; S116-L128 WeakPolarHBondContact O-CD1 3.27Å | ||
| 117 | A | 79.6 | Confident | 69.5 | Low | 66 Ų | 66 | 107.3 Ų | 107.3 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -55.3 | -22.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q131 | A117-Q131 PolarHBondContact O-NE2 2.86Š|
| 118 | Y | 80.8 | Confident | 70.6 | Confident | 165 Ų | 165 | 101.8 Ų | 101.8 | 65% | 0.647 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -111.3 | 121 | 175.3 | -52.3 | -82.9 | 0 | 0 | 0 | 109.7 | S116 V120 F121 | S116-Y118 PolarHBondContact O-N 3.13Å; S116-Y118 PolarHBondContact OG-O 3.02Å; Y118-V120 PolarHBondContact O-N 3Å; Y118-F121 HydrophobicContact CD2-CD2 4.44Å; Y118-F121 HydrophobicContact CD2-CE2 4.04Å; Y118-F121 HydrophobicContact CG-CE2 4.37Å; Y118-F121 PolarHBondContact O-N 2.93Å; Y118-F121 VanDerWaalsContact O-N 3.14Å |
| 119 | S | 80.8 | Confident | 71.7 | Confident | 54 Ų | 54 | 101.9 Ų | 101.9 | 38% | 0.378 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -52 | -28.4 | 178.9 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | F121 N122 C125 | S119-F121 PolarHBondContact O-N 3.25Å; S119-F121 VanDerWaalsContact O-N 3.13Å; S119-N122 WeakPolarHBondContact O-CB 3.47Å; S119-N122 PolarHBondContact O-N 3.14Å; S119-C125 VanDerWaalsContact CB-O 3.26Å; S119-C125 WeakPolarHBondContact CB-O 3.05Å; S119-C125 WeakPolarHBondContact O-CA 3.12Å |
| 120 | V | 81.3 | Confident | 73 | Confident | 107 Ų | 107 | 97.5 Ų | 97.5 | 65% | 0.648 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -59.1 | -21.1 | 179.1 | 74 | 0 | 0 | 0 | 0 | 115 | Y118 | Y118-V120 PolarHBondContact O-N 3Š|
| 121 | F | 82.2 | Confident | 74.1 | Confident | 154 Ų | 154 | 96.8 Ų | 96.8 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -104.2 | 5.4 | 173.8 | -44.9 | -73.4 | 0 | 0 | 0 | 113.3 | Y118 S119 | Y118-F121 HydrophobicContact CD2-CD2 4.44Å; Y118-F121 HydrophobicContact CD2-CE2 4.04Å; Y118-F121 HydrophobicContact CG-CE2 4.37Å; Y118-F121 PolarHBondContact O-N 2.93Å; Y118-F121 VanDerWaalsContact O-N 3.14Å; S119-F121 PolarHBondContact O-N 3.25Å; S119-F121 VanDerWaalsContact O-N 3.13Å |
| 122 | N | 83.2 | Confident | 75.3 | Confident | 13 Ų | 13 | 99.2 Ų | 99.2 | 7% | 0.07 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -99.4 | 145.3 | -178.3 | -59.2 | -11.9 | 0 | 0 | 0 | 109.8 | L115 S116 S119 N124 C125 E126 | L115-N122 HydrophobicContact CD2-CB 4.44Å; S116-N122 WeakPolarHBondContact CA-OD1 3.47Å; S116-N122 WeakPolarHBondContact CB-OD1 3.3Å; S116-N122 PolarHBondContact N-OD1 2.95Å; S116-N122 PolarHBondContact O-ND2 2.89Å; S116-N122 PolarHBondContact O-OD1 2.68Å; S116-N122 PolarHBondContact OG-OD1 3.26Å; S119-N122 WeakPolarHBondContact O-CB 3.47Å; S119-N122 PolarHBondContact O-N 3.14Å; N122-N124 PolarHBondContact O-N 3.23Å; N122-C125 PolarHBondContact O-N 3.33Å; N122-E126 WeakPolarHBondContact CB-O 3.26Å; N122-E126 PolarHBondContact ND2-O 2.93Å |
| 123 | P | 76 | Confident | 76.5 | Confident | 83 Ų | 83 | 92 Ų | 92 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -55.6 | 144 | 171.8 | 26 | -34.2 | 0 | 0 | 0 | 110 | C125 E126 | P123-C125 PolarHBondContact O-N 2.91Å; P123-E126 WeakPolarHBondContact O-CB 3.46Å; P123-E126 WeakPolarHBondContact O-CG 3.42Å; P123-E126 PolarHBondContact O-N 3.18Å |
| 124 | N | 80.8 | Confident | 77.7 | Confident | 142 Ų | 142 | 87.7 Ų | 87.7 | 76% | 0.759 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | 55.4 | 16.4 | -178 | -43.5 | -48.2 | 0 | 0 | 0 | 115.3 | N122 E126 | N122-N124 PolarHBondContact O-N 3.23Å; N124-E126 HydrophobicContact CB-CG 4.16Å; N124-E126 PolarHBondContact ND2-OE1 3.24Å; N124-E126 PolarHBondContact O-N 2.98Å |
| 125 | C | 80.5 | Confident | 78.5 | Confident | 87 Ų | 87 | 86.7 Ų | 86.7 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | 56.2 | 30.4 | -168.6 | -64.9 | 0 | 0 | 0 | 0 | 113.9 | S119 N122 P123 R127 | S119-C125 VanDerWaalsContact CB-O 3.26Å; S119-C125 WeakPolarHBondContact CB-O 3.05Å; S119-C125 WeakPolarHBondContact O-CA 3.12Å; N122-C125 PolarHBondContact O-N 3.33Å; P123-C125 PolarHBondContact O-N 2.91Å; C125-R127 PolarHBondContact O-N 2.84Å |
| 126 | E | 77.8 | Confident | 79 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 133.7 | -179.4 | -76.9 | 163.5 | -146.2 | 0 | 0 | 112.1 | L115 N122 P123 N124 | L115-E126 HydrophobicContact CD2-CB 3.49Å; L115-E126 VanDerWaalsContact CD2-CB 3.49Å; N122-E126 WeakPolarHBondContact CB-O 3.26Å; N122-E126 PolarHBondContact ND2-O 2.93Å; P123-E126 WeakPolarHBondContact O-CB 3.46Å; P123-E126 WeakPolarHBondContact O-CG 3.42Å; P123-E126 PolarHBondContact O-N 3.18Å; N124-E126 HydrophobicContact CB-CG 4.16Å; N124-E126 PolarHBondContact ND2-OE1 3.24Å; N124-E126 PolarHBondContact O-N 2.98Å |
| 127 | R | 76 | Confident | 79.2 | Confident | 117 Ų | 117 | 92.7 Ų | 92.7 | 44% | 0.442 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 155.8 | 172 | 52.5 | 172.7 | 158.6 | 143.6 | -11.8 | 111.2 | C125 T133 E135 | C125-R127 PolarHBondContact O-N 2.84Å; R127-T133 VanDerWaalsContact CZ-CG2 3.49Å; R127-T133 PolarHBondContact NH1-OG1 3.26Å; R127-T133 PolarHBondContact NH2-OG1 3.38Å; R127-E135 IonicContact CZ-OE2 3.38Å; R127-E135 IonicContact NE-OE2 3.8Å; R127-E135 IonicContact NH2-OE2 2.67Å; R127-E135 PolarHBondContact NH2-OE2 3.38Å |
| 128 | L | 76.4 | Confident | 79.5 | Confident | 54 Ų | 54 | 95.7 Ų | 95.7 | 28% | 0.283 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 141.9 | 170.9 | -82.1 | 79.5 | 0 | 0 | 0 | 110.2 | L115 S116 G130 Q131 | L115-L128 HydrophobicContact CB-CD1 4.01Å; L115-L128 HydrophobicContact CB-CG 4.01Å; S116-L128 WeakPolarHBondContact O-CD1 3.27Å; L128-G130 PolarHBondContact O-N 3.41Å; L128-Q131 HydrophobicContact CB-CG 4.01Å; L128-Q131 PolarHBondContact O-N 2.87Å; L128-Q131 VanDerWaalsContact O-N 3.15Å |
| 129 | P | 71.7 | Confident | 79.6 | Confident | 120 Ų | 120 | 89.6 Ų | 89.6 | 78% | 0.779 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 132.2 | 166.9 | 26.2 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 130 | G | 78 | Confident | 79.6 | Confident | 84 Ų | 84 | 89.6 Ų | 89.6 | 87% | 0.866 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L128 I132 | L128-G130 PolarHBondContact O-N 3.41Å; G130-I132 PolarHBondContact O-N 2.93Å |
| 131 | Q | 76.7 | Confident | 79.8 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 34% | 0.341 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 123.3 | 167.7 | -77 | 178.1 | -34.7 | 0 | 0 | 110.8 | A117 L128 T133 | A117-Q131 PolarHBondContact O-NE2 2.86Å; L128-Q131 HydrophobicContact CB-CG 4.01Å; L128-Q131 PolarHBondContact O-N 2.87Å; L128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-T133 PolarHBondContact O-N 3.37Å |
| 132 | I | 77.4 | Confident | 79.9 | Confident | 118 Ų | 118 | 95.9 Ų | 95.9 | 61% | 0.605 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 117.9 | 173.9 | -48.4 | 176.6 | 0 | 0 | 0 | 108.6 | G130 H136 F137 | G130-I132 PolarHBondContact O-N 2.93Å; I132-H136 HydrophobicContact CG2-CB 4.2Å; I132-F137 HydrophobicContact CB-CE2 4.38Å; I132-F137 HydrophobicContact CG2-CD2 4.15Å; I132-F137 HydrophobicContact CG2-CE1 4.46Å; I132-F137 HydrophobicContact CG2-CE2 3.5Å; I132-F137 HydrophobicContact CG2-CZ 3.69Å |
| 133 | T | 77.4 | Confident | 79.8 | Confident | 30 Ų | 30 | 104.3 Ų | 104.3 | 18% | 0.184 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 160.9 | 177.2 | 43.3 | 0 | 0 | 0 | 0 | 113.2 | R127 Q131 E135 H136 F137 | R127-T133 VanDerWaalsContact CZ-CG2 3.49Å; R127-T133 PolarHBondContact NH1-OG1 3.26Å; R127-T133 PolarHBondContact NH2-OG1 3.38Å; Q131-T133 PolarHBondContact O-N 3.37Å; T133-E135 WeakPolarHBondContact CB-OE2 3.38Å; T133-E135 PolarHBondContact O-N 3.4Å; T133-E135 PolarHBondContact OG1-OE2 3.49Å; T133-H136 WeakPolarHBondContact O-CB 3.34Å; T133-H136 PolarHBondContact O-N 2.86Å; T133-F137 VanDerWaalsContact O-CD2 3.3Å; T133-F137 WeakPolarHBondContact O-CD2 3.27Å; T133-F137 PolarHBondContact O-N 3.02Å |
| 134 | A | 83.3 | Confident | 79.7 | Confident | 64 Ų | 64 | 103.6 Ų | 103.6 | 53% | 0.529 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -47.9 | -43.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H136 F137 E138 | A134-H136 PolarHBondContact O-N 3Å; A134-F137 CarbonylContact O-C 3.48Å; A134-F137 WeakPolarHBondContact O-CA 3.24Å; A134-F137 WeakPolarHBondContact O-CB 3.34Å; A134-F137 PolarHBondContact O-N 3.38Å; A134-E138 WeakPolarHBondContact O-CG 3.45Å; A134-E138 PolarHBondContact O-N 3.5Å |
| 135 | E | 81.2 | Confident | 79 | Confident | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -53 | -38 | 175.3 | -51.4 | 160.2 | 128.3 | 0 | 0 | 113 | R127 T133 D139 | R127-E135 IonicContact CZ-OE2 3.38Å; R127-E135 IonicContact NE-OE2 3.8Å; R127-E135 IonicContact NH2-OE2 2.67Å; R127-E135 PolarHBondContact NH2-OE2 3.38Å; T133-E135 WeakPolarHBondContact CB-OE2 3.38Å; T133-E135 PolarHBondContact O-N 3.4Å; T133-E135 PolarHBondContact OG1-OE2 3.49Å; E135-D139 WeakPolarHBondContact O-CB 3.36Å; E135-D139 PolarHBondContact O-N 3.26Å |
| 136 | H | 79.6 | Confident | 77.8 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 178.1 | -172.7 | 68.9 | 0 | 0 | 0 | 111.4 | I132 T133 A134 M140 | I132-H136 HydrophobicContact CG2-CB 4.2Å; T133-H136 WeakPolarHBondContact O-CB 3.34Å; T133-H136 PolarHBondContact O-N 2.86Å; A134-H136 PolarHBondContact O-N 3Å; H136-M140 WeakPolarHBondContact O-CB 3.27Å; H136-M140 WeakPolarHBondContact O-CG 3.41Å; H136-M140 PolarHBondContact O-N 3.29Å |
| 137 | F | 83.2 | Confident | 77 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 172.4 | -66.3 | -73.2 | 0 | 0 | 0 | 111.7 | I132 T133 A134 D139 M140 Y141 | I132-F137 HydrophobicContact CB-CE2 4.38Å; I132-F137 HydrophobicContact CG2-CD2 4.15Å; I132-F137 HydrophobicContact CG2-CE1 4.46Å; I132-F137 HydrophobicContact CG2-CE2 3.5Å; I132-F137 HydrophobicContact CG2-CZ 3.69Å; T133-F137 VanDerWaalsContact O-CD2 3.3Å; T133-F137 WeakPolarHBondContact O-CD2 3.27Å; T133-F137 PolarHBondContact O-N 3.02Å; A134-F137 CarbonylContact O-C 3.48Å; A134-F137 WeakPolarHBondContact O-CA 3.24Å; A134-F137 WeakPolarHBondContact O-CB 3.34Å; A134-F137 PolarHBondContact O-N 3.38Å; F137-D139 PolarHBondContact O-N 3.11Å; F137-M140 PolarHBondContact O-N 3.09Å; F137-Y141 HydrophobicContact CB-CE2 4.49Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; F137-Y141 PolarHBondContact O-N 2.95Å |
| 138 | E | 85 | Confident | 75.5 | Confident | 130 Ų | 130 | 106.3 Ų | 106.3 | 61% | 0.607 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.8 | -44.8 | 176.5 | -74.8 | 175.2 | -161.2 | 0 | 0 | 111.7 | A134 Y141 R142 | A134-E138 WeakPolarHBondContact O-CG 3.45Å; A134-E138 PolarHBondContact O-N 3.5Å; E138-Y141 PolarHBondContact O-N 3.13Å; E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 PolarHBondContact O-N 2.96Å |
| 139 | D | 82.5 | Confident | 75.4 | Confident | 37 Ų | 37 | 108.9 Ų | 108.9 | 20% | 0.198 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -72.9 | -29.2 | 179.2 | -142.8 | 41.3 | 0 | 0 | 0 | 112.4 | E135 F137 R142 R143 | E135-D139 WeakPolarHBondContact O-CB 3.36Å; E135-D139 PolarHBondContact O-N 3.26Å; F137-D139 PolarHBondContact O-N 3.11Å; D139-R142 IonicContact OD1-CZ 3.28Å; D139-R142 VanDerWaalsContact OD1-CZ 3.28Å; D139-R142 IonicContact OD1-NE 3.03Å; D139-R142 PolarHBondContact OD1-NE 3.32Å; D139-R142 IonicContact OD1-NH2 2.69Å; D139-R142 PolarHBondContact OD1-NH2 3.46Å; D139-R143 VanDerWaalsContact O-CB 3.26Å; D139-R143 WeakPolarHBondContact O-CB 3.49Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.16Å; D139-R143 PolarHBondContact O-N 2.87Å; D139-R143 IonicContact OD2-CZ 2.63Å; D139-R143 IonicContact OD2-NE 2.69Å; D139-R143 PolarHBondContact OD2-NE 2.92Å; D139-R143 IonicContact OD2-NH2 3.18Å; D139-R143 PolarHBondContact OD2-NH2 2.7Å |
| 140 | M | 82.4 | Confident | 75.6 | Confident | 54 Ų | 54 | 108.3 Ų | 108.3 | 27% | 0.266 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.8 | -42.7 | 169.8 | -75.1 | -68.4 | -68.3 | 0 | 0 | 112.6 | H136 F137 G144 G145 L147 | H136-M140 WeakPolarHBondContact O-CB 3.27Å; H136-M140 WeakPolarHBondContact O-CG 3.41Å; H136-M140 PolarHBondContact O-N 3.29Å; F137-M140 PolarHBondContact O-N 3.09Å; M140-G144 PolarHBondContact O-N 3.45Å; M140-G145 PolarHBondContact O-N 3.3Å; M140-L147 HydrophobicContact CE-CB 3.82Å; M140-L147 HydrophobicContact CE-CD1 3.96Å; M140-L147 HydrophobicContact CE-CG 4.22Å |
| 141 | Y | 84.9 | Confident | 75.5 | Confident | 189 Ų | 189 | 109.7 Ų | 109.7 | 74% | 0.741 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.4 | -46.3 | 171.7 | -79.3 | -63.8 | 0 | 0 | 0 | 110.9 | F137 E138 R143 G144 | F137-Y141 HydrophobicContact CB-CE2 4.49Å; F137-Y141 WeakPolarHBondContact O-CD2 3.36Å; F137-Y141 PolarHBondContact O-N 2.95Å; E138-Y141 PolarHBondContact O-N 3.13Å; Y141-R143 VanDerWaalsContact C-N 3.32Å; Y141-R143 PolarHBondContact O-N 2.9Å; Y141-G144 PolarHBondContact O-N 2.94Å |
| 142 | R | 84 | Confident | 75.4 | Confident | 203 Ų | 203 | 111.8 Ų | 111.8 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.7 | -29.7 | -178.6 | -169.9 | 171.8 | 70.2 | 134.6 | -2.1 | 113.5 | E138 D139 G144 | E138-R142 WeakPolarHBondContact O-CB 3.28Å; E138-R142 PolarHBondContact O-N 2.96Å; D139-R142 IonicContact OD1-CZ 3.28Å; D139-R142 VanDerWaalsContact OD1-CZ 3.28Å; D139-R142 IonicContact OD1-NE 3.03Å; D139-R142 PolarHBondContact OD1-NE 3.32Å; D139-R142 IonicContact OD1-NH2 2.69Å; D139-R142 PolarHBondContact OD1-NH2 3.46Å; R142-G144 VanDerWaalsContact C-N 3.26Å; R142-G144 PolarHBondContact O-N 3.46Å |
| 143 | R | 80.5 | Confident | 75.3 | Confident | 191 Ų | 191 | 111.4 Ų | 111.4 | 72% | 0.721 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 4.2 | 173.4 | -69 | 170.2 | -167.3 | -131.7 | 7.9 | 113.8 | D139 Y141 | D139-R143 VanDerWaalsContact O-CB 3.26Å; D139-R143 WeakPolarHBondContact O-CB 3.49Å; D139-R143 WeakPolarHBondContact O-CD 3.43Å; D139-R143 WeakPolarHBondContact O-CG 3.16Å; D139-R143 PolarHBondContact O-N 2.87Å; D139-R143 IonicContact OD2-CZ 2.63Å; D139-R143 IonicContact OD2-NE 2.69Å; D139-R143 PolarHBondContact OD2-NE 2.92Å; D139-R143 IonicContact OD2-NH2 3.18Å; D139-R143 PolarHBondContact OD2-NH2 2.7Å; Y141-R143 VanDerWaalsContact C-N 3.32Å; Y141-R143 PolarHBondContact O-N 2.9Å |
| 144 | G | 74.5 | Confident | 75.1 | Confident | 67 Ų | 67 | 116.9 Ų | 116.9 | 69% | 0.691 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.9 | 27.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | M140 Y141 R142 | M140-G144 PolarHBondContact O-N 3.45Å; Y141-G144 PolarHBondContact O-N 2.94Å; R142-G144 VanDerWaalsContact C-N 3.26Å; R142-G144 PolarHBondContact O-N 3.46Å |
| 145 | G | 65.9 | Low | 74.6 | Confident | 45 Ų | 45 | 120.6 Ų | 120.6 | 46% | 0.464 | 62% | 0.615 | S | S | . | * | trans | 73.6 | 33.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | M140 L147 | M140-G145 PolarHBondContact O-N 3.3Å; G145-L147 PolarHBondContact O-N 3.18Å | ||
| 146 | G | 56.1 | Low | 74 | Confident | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | trans | -71.6 | 58.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 147 | L | 61.5 | Low | 73.6 | Confident | 137 Ų | 137 | 122.4 Ų | 122.4 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | trans | -157.2 | 51 | 169.1 | -118.4 | -179.7 | 0 | 0 | 0 | 114.4 | M140 G145 | M140-L147 HydrophobicContact CE-CB 3.82Å; M140-L147 HydrophobicContact CE-CD1 3.96Å; M140-L147 HydrophobicContact CE-CG 4.22Å; G145-L147 PolarHBondContact O-N 3.18Å | ||
| 148 | I | 42.7 | Very low | 72.7 | Confident | 236 Ų | 236 | 123.5 Ų | 123.5 | 100% | 1.21 | 65% | 0.645 | S | S | * | * | trans | 75.2 | 0 | 175.9 | -51.2 | 176.1 | 0 | 0 | 0 | 114.3 |
Retrieved 148 of 148 residues in 80.7 ms
(Link to these results)