| 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 | 60.6 | Low | 90.5 | Very high | 219 Ų | 219 | 124.8 Ų | 124.8 | 100% | 1.079 | 61% | 0.605 | S | S | * | * | 0 | -8.1 | 0 | -63.4 | -50.3 | -166.9 | 0 | 0 | 115.9 | |||||
| 2 | G | 83.5 | Confident | 91 | Very high | 31 Ų | 31 | 127.5 Ų | 127.5 | 32% | 0.32 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -92.4 | -12 | -165 | 0 | 0 | 0 | 0 | 0 | 119.9 | K6 | G2-K6 WeakPolarHBondContact O-CD 3.48Å; G2-K6 WeakPolarHBondContact O-CG 3.41Å; G2-K6 PolarHBondContact O-N 3.22Å |
| 3 | T | 92.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 127.7 Ų | 127.7 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.3 | -46.3 | -169.7 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | K6 I7 | T3-K6 PolarHBondContact O-N 2.96Å; T3-I7 HydrophobicContact CG2-CD1 4.27Å; T3-I7 WeakPolarHBondContact O-CG1 3.43Å; T3-I7 PolarHBondContact O-N 3.13Å; T3-I7 VanDerWaalsContact O-N 3.13Å |
| 4 | L | 93.8 | Very high | 91.8 | Very high | 124 Ų | 124 | 130.1 Ų | 130.1 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.3 | -42.5 | -179.3 | -173 | 63.7 | 0 | 0 | 0 | 111.8 | K6 I7 L8 | L4-K6 PolarHBondContact O-N 3.45Å; L4-I7 WeakPolarHBondContact O-CB 3.33Å; L4-I7 PolarHBondContact O-N 3.42Å; L4-I7 VanDerWaalsContact O-N 3.16Å; L4-L8 WeakPolarHBondContact O-CG 3.16Å; L4-L8 PolarHBondContact O-N 2.95Å |
| 5 | E | 92.8 | Very high | 92.1 | Very high | 133 Ų | 133 | 128.1 Ų | 128.1 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.9 | -44 | 174.9 | -68.1 | 178.2 | -178.1 | 0 | 0 | 112.4 | I7 L8 K9 | E5-I7 VanDerWaalsContact C-N 3.31Å; E5-I7 PolarHBondContact O-N 3.16Å; E5-L8 PolarHBondContact O-N 3.47Å; E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 3.04Å |
| 6 | K | 94 | Very high | 92.5 | Very high | 135 Ų | 135 | 123.6 Ų | 123.6 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.6 | -40 | 175.7 | -74.7 | 170.7 | -172.6 | -179.8 | 0 | 111.5 | G2 T3 L4 K9 R10 | G2-K6 WeakPolarHBondContact O-CD 3.48Å; G2-K6 WeakPolarHBondContact O-CG 3.41Å; G2-K6 PolarHBondContact O-N 3.22Å; T3-K6 PolarHBondContact O-N 2.96Å; L4-K6 PolarHBondContact O-N 3.45Å; K6-K9 PolarHBondContact O-N 3.38Å; K6-R10 WeakPolarHBondContact O-CG 3.41Å; K6-R10 PolarHBondContact O-N 3.43Å |
| 7 | I | 94.7 | Very high | 92.7 | Very high | 75 Ų | 75 | 122.6 Ų | 122.6 | 39% | 0.385 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -48.1 | 176.8 | -66.5 | 166.5 | 0 | 0 | 0 | 110.6 | T3 L4 E5 K9 R10 K11 | T3-I7 HydrophobicContact CG2-CD1 4.27Å; T3-I7 WeakPolarHBondContact O-CG1 3.43Å; T3-I7 PolarHBondContact O-N 3.13Å; T3-I7 VanDerWaalsContact O-N 3.13Å; L4-I7 WeakPolarHBondContact O-CB 3.33Å; L4-I7 PolarHBondContact O-N 3.42Å; L4-I7 VanDerWaalsContact O-N 3.16Å; E5-I7 VanDerWaalsContact C-N 3.31Å; E5-I7 PolarHBondContact O-N 3.16Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 3.31Å; I7-R10 PolarHBondContact O-N 2.97Å; I7-K11 HydrophobicContact CG2-CD 4.47Å; I7-K11 PolarHBondContact O-N 3.31Å |
| 8 | L | 95.1 | Very high | 93 | Very high | 90 Ų | 90 | 119.6 Ų | 119.6 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.2 | -41 | 177.3 | -68.8 | 175.9 | 0 | 0 | 0 | 111.8 | L4 E5 R10 K11 K12 | L4-L8 WeakPolarHBondContact O-CG 3.16Å; L4-L8 PolarHBondContact O-N 2.95Å; E5-L8 PolarHBondContact O-N 3.47Å; L8-R10 PolarHBondContact O-N 3.49Å; L8-K11 PolarHBondContact O-N 2.87Å; L8-K12 WeakPolarHBondContact O-CG 3.35Å; L8-K12 PolarHBondContact O-N 3.32Å |
| 9 | K | 95.5 | Very high | 93.2 | Very high | 136 Ų | 136 | 117.7 Ų | 117.7 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.7 | -42.6 | 175.5 | -169.7 | 173.8 | -174.4 | 173.6 | 0 | 111.9 | E5 K6 I7 K13 | E5-K9 WeakPolarHBondContact O-CB 3.49Å; E5-K9 PolarHBondContact O-N 3.04Å; K6-K9 PolarHBondContact O-N 3.38Å; I7-K9 VanDerWaalsContact C-N 3.33Å; I7-K9 PolarHBondContact O-N 3.31Å; K9-K13 WeakPolarHBondContact O-CG 3.33Å; K9-K13 PolarHBondContact O-N 3.23Å; K9-K13 VanDerWaalsContact O-N 3.09Å |
| 10 | R | 96.4 | Very high | 93.3 | Very high | 193 Ų | 193 | 114.9 Ų | 114.9 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.4 | -43.7 | 175.8 | -72.9 | 175.2 | -178.5 | -173.5 | 0.4 | 112 | K6 I7 L8 K13 K14 | K6-R10 WeakPolarHBondContact O-CG 3.41Å; K6-R10 PolarHBondContact O-N 3.43Å; I7-R10 PolarHBondContact O-N 2.97Å; L8-R10 PolarHBondContact O-N 3.49Å; R10-K13 PolarHBondContact O-N 3.08Å; R10-K14 PolarHBondContact O-N 3.45Å |
| 11 | K | 96.6 | Very high | 93.5 | Very high | 131 Ų | 131 | 117 Ų | 117 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.5 | -48.3 | 176.4 | -74.1 | -174.1 | 176.6 | -174 | 0 | 111.8 | I7 L8 K13 K14 I15 | I7-K11 HydrophobicContact CG2-CD 4.47Å; I7-K11 PolarHBondContact O-N 3.31Å; L8-K11 PolarHBondContact O-N 2.87Å; K11-K13 PolarHBondContact O-N 2.96Å; K11-K14 PolarHBondContact O-N 3.34Å; K11-I15 WeakPolarHBondContact O-CG1 3.42Å; K11-I15 PolarHBondContact O-N 3.09Å; K11-I15 VanDerWaalsContact O-N 3.08Å |
| 12 | K | 96.4 | Very high | 95.3 | Very high | 157 Ų | 157 | 109 Ų | 109 | 68% | 0.683 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.7 | -45.1 | 176.5 | -72.2 | -179.5 | 179.2 | -177.1 | 0 | 112.2 | L8 K14 I15 A16 | L8-K12 WeakPolarHBondContact O-CG 3.35Å; L8-K12 PolarHBondContact O-N 3.32Å; K12-K14 PolarHBondContact O-N 3.48Å; K12-I15 PolarHBondContact O-N 3.01Å; K12-A16 PolarHBondContact O-N 3.35Å |
| 13 | K | 96.6 | Very high | 96 | Very high | 130 Ų | 130 | 115.1 Ų | 115.1 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -42.5 | 176 | -75.8 | -175.3 | 175.6 | -165 | 0 | 112.5 | K9 R10 K11 I15 A16 I17 | K9-K13 WeakPolarHBondContact O-CG 3.33Å; K9-K13 PolarHBondContact O-N 3.23Å; K9-K13 VanDerWaalsContact O-N 3.09Å; R10-K13 PolarHBondContact O-N 3.08Å; K11-K13 PolarHBondContact O-N 2.96Å; K13-I15 PolarHBondContact O-N 2.85Å; K13-A16 PolarHBondContact O-N 3.48Å; K13-I17 WeakPolarHBondContact O-CG1 3.39Å; K13-I17 PolarHBondContact O-N 3.44Å |
| 14 | K | 96.9 | Very high | 96.2 | Very high | 162 Ų | 162 | 112.4 Ų | 112.4 | 70% | 0.704 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 177.6 | -173.4 | 176.3 | -179.5 | 179.5 | 0 | 111.7 | R10 K11 K12 I17 S18 | R10-K14 PolarHBondContact O-N 3.45Å; K11-K14 PolarHBondContact O-N 3.34Å; K12-K14 PolarHBondContact O-N 3.48Å; K14-I17 PolarHBondContact O-N 3.02Å; K14-S18 WeakPolarHBondContact O-CB 3.44Å; K14-S18 PolarHBondContact O-N 3.49Å |
| 15 | I | 96.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 112 Ų | 112 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 177 | -64.8 | 164.8 | 0 | 0 | 0 | 110.7 | K11 K12 K13 I17 S18 N19 | K11-I15 WeakPolarHBondContact O-CG1 3.42Å; K11-I15 PolarHBondContact O-N 3.09Å; K11-I15 VanDerWaalsContact O-N 3.08Å; K12-I15 PolarHBondContact O-N 3.01Å; K13-I15 PolarHBondContact O-N 2.85Å; I15-I17 PolarHBondContact O-N 3.3Å; I15-S18 PolarHBondContact O-N 3.46Å; I15-N19 WeakPolarHBondContact O-CB 3.42Å; I15-N19 VanDerWaalsContact O-CG 3.23Å; I15-N19 PolarHBondContact O-N 2.97Å; I15-N19 PolarHBondContact O-OD1 3.46Å |
| 16 | A | 97.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K12 K13 N19 S20 | K12-A16 PolarHBondContact O-N 3.35Å; K13-A16 PolarHBondContact O-N 3.48Å; A16-N19 PolarHBondContact O-N 2.96Å; A16-S20 WeakPolarHBondContact O-CB 3.34Å; A16-S20 PolarHBondContact O-N 3.42Å |
| 17 | I | 97 | Very high | 96.7 | Very high | 107 Ų | 107 | 110.9 Ų | 110.9 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.9 | -66.6 | 165.1 | 0 | 0 | 0 | 110.6 | K13 K14 I15 N19 S20 R21 | K13-I17 WeakPolarHBondContact O-CG1 3.39Å; K13-I17 PolarHBondContact O-N 3.44Å; K14-I17 PolarHBondContact O-N 3.02Å; I15-I17 PolarHBondContact O-N 3.3Å; I17-N19 PolarHBondContact O-N 3.48Å; I17-S20 PolarHBondContact O-N 3.23Å; I17-R21 PolarHBondContact O-N 2.94Å |
| 18 | S | 97.1 | Very high | 96.8 | Very high | 68 Ų | 68 | 112.2 Ų | 112.2 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 178.1 | -166.5 | 0 | 0 | 0 | 0 | 111.9 | K14 I15 S20 R21 A22 | K14-S18 WeakPolarHBondContact O-CB 3.44Å; K14-S18 PolarHBondContact O-N 3.49Å; I15-S18 PolarHBondContact O-N 3.46Å; S18-S20 VanDerWaalsContact C-N 3.33Å; S18-S20 PolarHBondContact O-N 3.48Å; S18-R21 PolarHBondContact O-N 2.97Å; S18-A22 PolarHBondContact O-N 3.02Å |
| 19 | N | 97 | Very high | 96.9 | Very high | 84 Ų | 84 | 110.4 Ų | 110.4 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 178 | -69.8 | -7.6 | 0 | 0 | 0 | 111.6 | I15 A16 I17 R21 A22 R23 | I15-N19 WeakPolarHBondContact O-CB 3.42Å; I15-N19 VanDerWaalsContact O-CG 3.23Å; I15-N19 PolarHBondContact O-N 2.97Å; I15-N19 PolarHBondContact O-OD1 3.46Å; A16-N19 PolarHBondContact O-N 2.96Å; I17-N19 PolarHBondContact O-N 3.48Å; N19-R21 VanDerWaalsContact C-N 3.35Å; N19-A22 PolarHBondContact O-N 3.06Å; N19-R23 WeakPolarHBondContact O-CG 3.36Å; N19-R23 PolarHBondContact O-N 3.07Å |
| 20 | S | 96.2 | Very high | 97 | Very high | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176 | -161.2 | 0 | 0 | 0 | 0 | 112.1 | A16 I17 S18 R23 A24 | A16-S20 WeakPolarHBondContact O-CB 3.34Å; A16-S20 PolarHBondContact O-N 3.42Å; I17-S20 PolarHBondContact O-N 3.23Å; S18-S20 VanDerWaalsContact C-N 3.33Å; S18-S20 PolarHBondContact O-N 3.48Å; S20-R23 PolarHBondContact O-N 3.3Å; S20-A24 PolarHBondContact O-N 3.27Å |
| 21 | R | 97.5 | Very high | 97.1 | Very high | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -49.4 | 174.9 | -174.2 | -177.9 | -65.4 | 164.3 | -3.2 | 111.5 | I17 S18 N19 R23 A24 E25 | I17-R21 PolarHBondContact O-N 2.94Å; S18-R21 PolarHBondContact O-N 2.97Å; N19-R21 VanDerWaalsContact C-N 3.35Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 PolarHBondContact O-N 3.24Å; R21-A24 PolarHBondContact O-N 3.06Å; R21-A24 VanDerWaalsContact O-N 3.07Å; R21-E25 WeakPolarHBondContact CG-OE1 3.38Å; R21-E25 WeakPolarHBondContact O-CG 3.5Å; R21-E25 PolarHBondContact O-N 3.48Å |
| 22 | A | 97.3 | Very high | 97.1 | Very high | 52 Ų | 52 | 102.8 Ų | 102.8 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S18 N19 K26 | S18-A22 PolarHBondContact O-N 3.02Å; N19-A22 PolarHBondContact O-N 3.06Å; A22-K26 WeakPolarHBondContact O-CB 3.46Å; A22-K26 PolarHBondContact O-N 2.92Å |
| 23 | R | 97.8 | Very high | 97.1 | Very high | 158 Ų | 158 | 101.6 Ų | 101.6 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 173.3 | -74.4 | -171.4 | -55.5 | -121.6 | 1.3 | 112.4 | N19 S20 R21 K26 V27 | N19-R23 WeakPolarHBondContact O-CG 3.36Å; N19-R23 PolarHBondContact O-N 3.07Å; S20-R23 PolarHBondContact O-N 3.3Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 PolarHBondContact O-N 3.24Å; R23-K26 PolarHBondContact O-N 2.95Å; R23-V27 WeakPolarHBondContact O-CG2 3.36Å; R23-V27 PolarHBondContact O-N 2.9Å |
| 24 | A | 97.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 98.8 Ų | 98.8 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S20 R21 K26 V27 N28 | S20-A24 PolarHBondContact O-N 3.27Å; R21-A24 PolarHBondContact O-N 3.06Å; R21-A24 VanDerWaalsContact O-N 3.07Å; A24-K26 VanDerWaalsContact C-N 3.35Å; A24-K26 PolarHBondContact O-N 3.46Å; A24-V27 PolarHBondContact O-N 3.3Å; A24-N28 PolarHBondContact O-N 3.46Å |
| 25 | E | 97.3 | Very high | 97.2 | Very high | 116 Ų | 116 | 97.8 Ų | 97.8 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.9 | -73.4 | 170.6 | -170.2 | 0 | 0 | 111.7 | R21 V27 N28 S29 | R21-E25 WeakPolarHBondContact CG-OE1 3.38Å; R21-E25 WeakPolarHBondContact O-CG 3.5Å; R21-E25 PolarHBondContact O-N 3.48Å; E25-V27 PolarHBondContact O-N 2.92Å; E25-N28 PolarHBondContact O-N 3.26Å; E25-S29 WeakPolarHBondContact O-CB 3.42Å; E25-S29 PolarHBondContact O-N 3.01Å |
| 26 | K | 97.4 | Very high | 97.2 | Very high | 154 Ų | 154 | 95.4 Ų | 95.4 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 175.6 | -174 | 176.5 | -179.2 | 178.3 | 0 | 112.4 | A22 R23 A24 Q30 | A22-K26 WeakPolarHBondContact O-CB 3.46Å; A22-K26 PolarHBondContact O-N 2.92Å; R23-K26 PolarHBondContact O-N 2.95Å; A24-K26 VanDerWaalsContact C-N 3.35Å; A24-K26 PolarHBondContact O-N 3.46Å; K26-Q30 WeakPolarHBondContact O-CB 3.37Å; K26-Q30 PolarHBondContact O-N 3.34Å |
| 27 | V | 96.8 | Very high | 97.2 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 177.7 | 170.7 | 0 | 0 | 0 | 0 | 111 | R23 A24 E25 Q30 A31 | R23-V27 WeakPolarHBondContact O-CG2 3.36Å; R23-V27 PolarHBondContact O-N 2.9Å; A24-V27 PolarHBondContact O-N 3.3Å; E25-V27 PolarHBondContact O-N 2.92Å; V27-Q30 PolarHBondContact O-N 3.27Å; V27-A31 WeakPolarHBondContact O-CB 3.45Å; V27-A31 PolarHBondContact O-N 2.9Å |
| 28 | N | 97.4 | Very high | 97.2 | Very high | 103 Ų | 103 | 99.4 Ų | 99.4 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -48.1 | 177.2 | -72.7 | -14.8 | 0 | 0 | 0 | 111.5 | A24 E25 Q30 A31 E32 | A24-N28 PolarHBondContact O-N 3.46Å; E25-N28 PolarHBondContact O-N 3.26Å; N28-Q30 VanDerWaalsContact C-N 3.31Å; N28-Q30 PolarHBondContact O-N 3.43Å; N28-A31 WeakPolarHBondContact O-CB 3.49Å; N28-A31 PolarHBondContact O-N 3.39Å; N28-A31 VanDerWaalsContact O-N 3.11Å; N28-E32 WeakPolarHBondContact O-CG 3.45Å; N28-E32 PolarHBondContact O-N 3.48Å |
| 29 | S | 97 | Very high | 97.2 | Very high | 52 Ų | 52 | 104 Ų | 104 | 36% | 0.364 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 175.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | E25 A31 E32 H33 | E25-S29 WeakPolarHBondContact O-CB 3.42Å; E25-S29 PolarHBondContact O-N 3.01Å; S29-A31 VanDerWaalsContact C-N 3.34Å; S29-A31 PolarHBondContact O-N 3.06Å; S29-E32 PolarHBondContact O-N 3.39Å; S29-H33 PolarHBondContact O-CD2 2.83Å; S29-H33 PolarHBondContact O-N 3.37Å; S29-H33 PolarHBondContact OG-CD2 2.92Å |
| 30 | Q | 97.8 | Very high | 97.2 | Very high | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.6 | -41.5 | 175.2 | -172.1 | 172.8 | 11.9 | 0 | 0 | 112.1 | K26 V27 N28 H33 T34 | K26-Q30 WeakPolarHBondContact O-CB 3.37Å; K26-Q30 PolarHBondContact O-N 3.34Å; V27-Q30 PolarHBondContact O-N 3.27Å; N28-Q30 VanDerWaalsContact C-N 3.31Å; N28-Q30 PolarHBondContact O-N 3.43Å; Q30-H33 PolarHBondContact O-N 3.2Å; Q30-T34 WeakPolarHBondContact O-CG2 3.35Å; Q30-T34 PolarHBondContact O-N 3.11Å; Q30-T34 PolarHBondContact O-OG1 2.89Å |
| 31 | A | 97.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 103.9 Ų | 103.9 | 33% | 0.331 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V27 N28 S29 T34 K35 | V27-A31 WeakPolarHBondContact O-CB 3.45Å; V27-A31 PolarHBondContact O-N 2.9Å; N28-A31 WeakPolarHBondContact O-CB 3.49Å; N28-A31 PolarHBondContact O-N 3.39Å; N28-A31 VanDerWaalsContact O-N 3.11Å; S29-A31 VanDerWaalsContact C-N 3.34Å; S29-A31 PolarHBondContact O-N 3.06Å; A31-T34 PolarHBondContact O-N 2.98Å; A31-T34 PolarHBondContact O-OG1 2.9Å; A31-K35 WeakPolarHBondContact O-CG 3.46Å; A31-K35 PolarHBondContact O-N 3.4Å; A31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | E | 96.8 | Very high | 97.2 | Very high | 139 Ų | 139 | 101 Ų | 101 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65 | -45 | 174.5 | -71 | -173.9 | 151.1 | 0 | 0 | 111.9 | N28 S29 T34 K35 A36 | N28-E32 WeakPolarHBondContact O-CG 3.45Å; N28-E32 PolarHBondContact O-N 3.48Å; S29-E32 PolarHBondContact O-N 3.39Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.49Å; E32-K35 PolarHBondContact O-N 3.39Å; E32-A36 WeakPolarHBondContact O-CB 3.46Å; E32-A36 PolarHBondContact O-N 2.88Å |
| 33 | H | 97.3 | Very high | 97.2 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 61% | 0.606 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -42.5 | 175.7 | -78.2 | -61.5 | 0 | 0 | 0 | 112.3 | S29 Q30 K35 A36 N37 | S29-H33 PolarHBondContact O-CD2 2.83Å; S29-H33 PolarHBondContact O-N 3.37Å; S29-H33 PolarHBondContact OG-CD2 2.92Å; Q30-H33 PolarHBondContact O-N 3.2Å; H33-K35 PolarHBondContact O-N 3.4Å; H33-A36 PolarHBondContact O-N 3.11Å; H33-N37 WeakPolarHBondContact O-CB 3.34Å; H33-N37 PolarHBondContact O-N 3.12Å |
| 34 | T | 97.2 | Very high | 97.1 | Very high | 71 Ų | 71 | 96.5 Ų | 96.5 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 177 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | Q30 A31 E32 K38 | Q30-T34 WeakPolarHBondContact O-CG2 3.35Å; Q30-T34 PolarHBondContact O-N 3.11Å; Q30-T34 PolarHBondContact O-OG1 2.89Å; A31-T34 PolarHBondContact O-N 2.98Å; A31-T34 PolarHBondContact O-OG1 2.9Å; E32-T34 VanDerWaalsContact C-N 3.34Å; E32-T34 PolarHBondContact O-N 3.49Å; T34-K38 WeakPolarHBondContact O-CB 3.38Å; T34-K38 VanDerWaalsContact O-CG 3.28Å; T34-K38 WeakPolarHBondContact O-CG 3.28Å; T34-K38 PolarHBondContact O-N 3.47Å |
| 35 | K | 97.7 | Very high | 97.2 | Very high | 141 Ų | 141 | 101.5 Ų | 101.5 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 175 | -72.9 | 175.2 | -177.9 | 177.4 | 0 | 111.8 | A31 E32 H33 K38 K39 | A31-K35 WeakPolarHBondContact O-CG 3.46Å; A31-K35 PolarHBondContact O-N 3.4Å; A31-K35 VanDerWaalsContact O-N 3.11Å; E32-K35 PolarHBondContact O-N 3.39Å; H33-K35 PolarHBondContact O-N 3.4Å; K35-K38 PolarHBondContact O-N 3.04Å; K35-K39 WeakPolarHBondContact O-CG 3.5Å; K35-K39 PolarHBondContact O-N 3Å; K35-K39 VanDerWaalsContact O-N 3.11Å |
| 36 | A | 97.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 99.7 Ų | 99.7 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E32 H33 K38 K39 V40 | E32-A36 WeakPolarHBondContact O-CB 3.46Å; E32-A36 PolarHBondContact O-N 2.88Å; H33-A36 PolarHBondContact O-N 3.11Å; A36-K38 VanDerWaalsContact C-N 3.33Å; A36-K38 PolarHBondContact O-N 3.49Å; A36-K39 WeakPolarHBondContact O-CB 3.48Å; A36-K39 PolarHBondContact O-N 3.26Å; A36-K39 VanDerWaalsContact O-N 3.12Å; A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 2.93Å |
| 37 | N | 96.8 | Very high | 97.2 | Very high | 104 Ų | 104 | 96.8 Ų | 96.8 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 177.5 | -167.9 | 37.8 | 0 | 0 | 0 | 111.9 | H33 K39 V40 T41 | H33-N37 WeakPolarHBondContact O-CB 3.34Å; H33-N37 PolarHBondContact O-N 3.12Å; N37-K39 VanDerWaalsContact C-N 3.34Å; N37-K39 PolarHBondContact O-N 3.11Å; N37-V40 PolarHBondContact O-N 2.97Å; N37-T41 WeakPolarHBondContact O-CG2 3.3Å; N37-T41 PolarHBondContact O-N 3.4Å; N37-T41 PolarHBondContact O-OG1 2.95Å |
| 38 | K | 96.4 | Very high | 97.2 | Very high | 145 Ų | 145 | 97 Ų | 97 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.4 | -46.7 | 173.6 | -76.9 | 176.7 | -179.2 | -174.3 | 0 | 111.8 | T34 K35 A36 V40 T41 M42 | T34-K38 WeakPolarHBondContact O-CB 3.38Å; T34-K38 VanDerWaalsContact O-CG 3.28Å; T34-K38 WeakPolarHBondContact O-CG 3.28Å; T34-K38 PolarHBondContact O-N 3.47Å; K35-K38 PolarHBondContact O-N 3.04Å; A36-K38 VanDerWaalsContact C-N 3.33Å; A36-K38 PolarHBondContact O-N 3.49Å; K38-V40 PolarHBondContact O-N 3.12Å; K38-T41 PolarHBondContact O-N 3.04Å; K38-T41 PolarHBondContact O-OG1 3.36Å; K38-M42 VanDerWaalsContact O-CG 3.3Å; K38-M42 WeakPolarHBondContact O-CG 3.49Å; K38-M42 PolarHBondContact O-N 3.39Å |
| 39 | K | 97.6 | Very high | 97.2 | Very high | 165 Ų | 165 | 98.6 Ų | 98.6 | 72% | 0.717 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 178 | -71.3 | -179.2 | 178.3 | -173.6 | 0 | 112.4 | K35 A36 N37 M42 G43 | K35-K39 WeakPolarHBondContact O-CG 3.5Å; K35-K39 PolarHBondContact O-N 3Å; K35-K39 VanDerWaalsContact O-N 3.11Å; A36-K39 WeakPolarHBondContact O-CB 3.48Å; A36-K39 PolarHBondContact O-N 3.26Å; A36-K39 VanDerWaalsContact O-N 3.12Å; N37-K39 VanDerWaalsContact C-N 3.34Å; N37-K39 PolarHBondContact O-N 3.11Å; K39-M42 PolarHBondContact O-N 3.43Å; K39-G43 PolarHBondContact O-N 3.43Å |
| 40 | V | 96.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 101.2 Ų | 101.2 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -49.5 | 177.8 | 173 | 0 | 0 | 0 | 0 | 111 | A36 N37 K38 M42 G43 I44 | A36-V40 WeakPolarHBondContact O-CG2 3.4Å; A36-V40 PolarHBondContact O-N 2.93Å; N37-V40 PolarHBondContact O-N 2.97Å; K38-V40 PolarHBondContact O-N 3.12Å; V40-M42 VanDerWaalsContact C-N 3.27Å; V40-M42 PolarHBondContact O-N 3.29Å; V40-G43 PolarHBondContact O-N 2.87Å; V40-G43 VanDerWaalsContact O-N 3.12Å; V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 HydrophobicContact CG1-CG1 4.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.37Å; V40-I44 PolarHBondContact O-N 3.19Å |
| 41 | T | 96.7 | Very high | 97.2 | Very high | 56 Ų | 56 | 102.2 Ų | 102.2 | 34% | 0.344 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -33.5 | 179.4 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | N37 K38 R45 | N37-T41 WeakPolarHBondContact O-CG2 3.3Å; N37-T41 PolarHBondContact O-N 3.4Å; N37-T41 PolarHBondContact O-OG1 2.95Å; K38-T41 PolarHBondContact O-N 3.04Å; K38-T41 PolarHBondContact O-OG1 3.36Å; T41-R45 WeakPolarHBondContact O-CG 3.38Å; T41-R45 PolarHBondContact O-N 3.04Å |
| 42 | M | 97.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 104.8 Ų | 104.8 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -38.8 | 174.3 | -70.6 | -61 | -62.8 | 0 | 0 | 112.2 | K38 K39 V40 R45 I46 | K38-M42 VanDerWaalsContact O-CG 3.3Å; K38-M42 WeakPolarHBondContact O-CG 3.49Å; K38-M42 PolarHBondContact O-N 3.39Å; K39-M42 PolarHBondContact O-N 3.43Å; V40-M42 VanDerWaalsContact C-N 3.27Å; V40-M42 PolarHBondContact O-N 3.29Å; M42-R45 PolarHBondContact O-N 2.94Å; M42-I46 WeakPolarHBondContact O-CG1 3.39Å; M42-I46 PolarHBondContact O-N 2.87Å; M42-I46 VanDerWaalsContact O-N 3.16Å |
| 43 | G | 96.6 | Very high | 97.2 | Very high | 27 Ų | 27 | 104.3 Ų | 104.3 | 28% | 0.278 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | K39 V40 R45 I46 D47 | K39-G43 PolarHBondContact O-N 3.43Å; V40-G43 PolarHBondContact O-N 2.87Å; V40-G43 VanDerWaalsContact O-N 3.12Å; G43-R45 VanDerWaalsContact C-N 3.28Å; G43-R45 PolarHBondContact O-N 3.16Å; G43-I46 PolarHBondContact O-N 3.28Å; G43-D47 PolarHBondContact O-N 3.38Å |
| 44 | I | 97.2 | Very high | 97.2 | Very high | 89 Ų | 89 | 104 Ų | 104 | 46% | 0.456 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54.8 | -45.3 | 177.8 | -66.7 | 166.9 | 0 | 0 | 0 | 111 | V40 I46 D47 D48 | V40-I44 HydrophobicContact CG1-CD1 3.86Å; V40-I44 HydrophobicContact CG1-CG1 4.47Å; V40-I44 WeakPolarHBondContact O-CG1 3.37Å; V40-I44 PolarHBondContact O-N 3.19Å; I44-I46 VanDerWaalsContact C-N 3.33Å; I44-I46 PolarHBondContact O-N 3.28Å; I44-D47 PolarHBondContact O-N 3.4Å; I44-D48 WeakPolarHBondContact O-CB 3.39Å; I44-D48 PolarHBondContact O-N 3.29Å |
| 45 | R | 97.5 | Very high | 97.2 | Very high | 155 Ų | 155 | 104.6 Ų | 104.6 | 59% | 0.585 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 178.3 | -73.2 | 171.5 | 177.2 | 179 | -2.4 | 113.3 | T41 M42 G43 Q49 | T41-R45 WeakPolarHBondContact O-CG 3.38Å; T41-R45 PolarHBondContact O-N 3.04Å; M42-R45 PolarHBondContact O-N 2.94Å; G43-R45 VanDerWaalsContact C-N 3.28Å; G43-R45 PolarHBondContact O-N 3.16Å; R45-Q49 VanDerWaalsContact O-CG 3.28Å; R45-Q49 WeakPolarHBondContact O-CG 3.32Å; R45-Q49 PolarHBondContact O-N 3.3Å; R45-Q49 VanDerWaalsContact O-N 3.14Å |
| 46 | I | 97.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 100 Ų | 100 | 40% | 0.4 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 178.5 | -69.6 | 166.2 | 0 | 0 | 0 | 110 | M42 G43 I44 Q49 K50 | M42-I46 WeakPolarHBondContact O-CG1 3.39Å; M42-I46 PolarHBondContact O-N 2.87Å; M42-I46 VanDerWaalsContact O-N 3.16Å; G43-I46 PolarHBondContact O-N 3.28Å; I44-I46 VanDerWaalsContact C-N 3.33Å; I44-I46 PolarHBondContact O-N 3.28Å; I46-Q49 PolarHBondContact O-N 3.4Å; I46-K50 HydrophobicContact CG2-CD 4.39Å; I46-K50 WeakPolarHBondContact O-CG 3.47Å; I46-K50 PolarHBondContact O-N 3.04Å |
| 47 | D | 97 | Very high | 97.2 | Very high | 93 Ų | 93 | 100.1 Ų | 100.1 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | -179.4 | -66.1 | -22.9 | 0 | 0 | 0 | 111.4 | G43 I44 Q49 K50 Y51 | G43-D47 PolarHBondContact O-N 3.38Å; I44-D47 PolarHBondContact O-N 3.4Å; D47-Q49 VanDerWaalsContact C-N 3.33Å; D47-Q49 PolarHBondContact O-N 3.44Å; D47-K50 PolarHBondContact O-N 3.47Å; D47-K50 IonicContact OD1-NZ 2.71Å; D47-Y51 WeakPolarHBondContact O-CB 3.28Å; D47-Y51 PolarHBondContact O-N 2.93Å |
| 48 | D | 97.2 | Very high | 97.2 | Very high | 95 Ų | 95 | 99.3 Ų | 99.3 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 172.9 | -71.5 | -16.6 | 0 | 0 | 0 | 111.7 | I44 Y51 V52 | I44-D48 WeakPolarHBondContact O-CB 3.39Å; I44-D48 PolarHBondContact O-N 3.29Å; D48-Y51 PolarHBondContact O-N 3.43Å; D48-V52 WeakPolarHBondContact O-CG2 3.41Å; D48-V52 PolarHBondContact O-N 3.14Å |
| 49 | Q | 97.5 | Very high | 97.2 | Very high | 136 Ų | 136 | 97.3 Ų | 97.3 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -45.3 | 176.3 | -78.3 | 175.7 | -19.3 | 0 | 0 | 112.1 | R45 I46 D47 Y51 V52 E53 | R45-Q49 VanDerWaalsContact O-CG 3.28Å; R45-Q49 WeakPolarHBondContact O-CG 3.32Å; R45-Q49 PolarHBondContact O-N 3.3Å; R45-Q49 VanDerWaalsContact O-N 3.14Å; I46-Q49 PolarHBondContact O-N 3.4Å; D47-Q49 VanDerWaalsContact C-N 3.33Å; D47-Q49 PolarHBondContact O-N 3.44Å; Q49-Y51 VanDerWaalsContact C-N 3.31Å; Q49-Y51 PolarHBondContact O-N 3.34Å; Q49-V52 PolarHBondContact O-N 3.3Å; Q49-E53 WeakPolarHBondContact O-CB 3.37Å; Q49-E53 PolarHBondContact O-N 3.24Å |
| 50 | K | 97.6 | Very high | 97.2 | Very high | 107 Ų | 107 | 94.8 Ų | 94.8 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 175.6 | -72.4 | 172.7 | -174.9 | 166.8 | 0 | 111.4 | I46 D47 V52 E53 E54 | I46-K50 HydrophobicContact CG2-CD 4.39Å; I46-K50 WeakPolarHBondContact O-CG 3.47Å; I46-K50 PolarHBondContact O-N 3.04Å; D47-K50 PolarHBondContact O-N 3.47Å; D47-K50 IonicContact OD1-NZ 2.71Å; K50-V52 PolarHBondContact O-N 3.02Å; K50-E53 PolarHBondContact O-N 3.48Å; K50-E54 WeakPolarHBondContact O-CB 3.48Å; K50-E54 WeakPolarHBondContact O-CG 3.46Å; K50-E54 PolarHBondContact O-N 3.02Å |
| 51 | Y | 96.8 | Very high | 97.2 | Very high | 142 Ų | 142 | 96.2 Ų | 96.2 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 178.2 | 179.8 | -107.5 | 0 | 0 | 0 | 112 | D47 D48 Q49 E53 E54 L55 | D47-Y51 WeakPolarHBondContact O-CB 3.28Å; D47-Y51 PolarHBondContact O-N 2.93Å; D48-Y51 PolarHBondContact O-N 3.43Å; Q49-Y51 VanDerWaalsContact C-N 3.31Å; Q49-Y51 PolarHBondContact O-N 3.34Å; Y51-E53 PolarHBondContact O-N 3.02Å; Y51-E54 PolarHBondContact O-N 3.43Å; Y51-L55 HydrophobicContact CD1-CD1 3.99Å; Y51-L55 HydrophobicContact CE1-CD1 3.43Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.43Å; Y51-L55 HydrophobicContact CE1-CG 4.24Å; Y51-L55 HydrophobicContact CE2-CD1 4.42Å; Y51-L55 HydrophobicContact CE2-CG 4.42Å; Y51-L55 WeakPolarHBondContact O-CG 3.4Å; Y51-L55 PolarHBondContact O-N 2.88Å |
| 52 | V | 96.9 | Very high | 97.2 | Very high | 95 Ų | 95 | 96.1 Ų | 96.1 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | D48 Q49 K50 L55 A56 | D48-V52 WeakPolarHBondContact O-CG2 3.41Å; D48-V52 PolarHBondContact O-N 3.14Å; Q49-V52 PolarHBondContact O-N 3.3Å; K50-V52 PolarHBondContact O-N 3.02Å; V52-L55 PolarHBondContact O-N 3.49Å; V52-A56 WeakPolarHBondContact O-CB 3.36Å; V52-A56 PolarHBondContact O-N 2.99Å |
| 53 | E | 97.5 | Very high | 97.1 | Very high | 128 Ų | 128 | 93.5 Ų | 93.5 | 60% | 0.598 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -42.5 | 177 | -171.5 | 176.4 | -177.2 | 0 | 0 | 112 | Q49 K50 Y51 L55 A56 T57 | Q49-E53 WeakPolarHBondContact O-CB 3.37Å; Q49-E53 PolarHBondContact O-N 3.24Å; K50-E53 PolarHBondContact O-N 3.48Å; Y51-E53 PolarHBondContact O-N 3.02Å; E53-L55 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 3.25Å; E53-A56 PolarHBondContact O-N 3.46Å; E53-T57 WeakPolarHBondContact O-CB 3.25Å; E53-T57 VanDerWaalsContact O-CG2 3.25Å; E53-T57 WeakPolarHBondContact O-CG2 3.25Å; E53-T57 PolarHBondContact O-N 3.39Å; E53-T57 PolarHBondContact O-OG1 3.48Å |
| 54 | E | 97.3 | Very high | 97.1 | Very high | 124 Ų | 124 | 99 Ų | 99 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -41 | 174 | -75 | 177.8 | -174.1 | 0 | 0 | 112 | K50 Y51 T57 T58 | K50-E54 WeakPolarHBondContact O-CB 3.48Å; K50-E54 WeakPolarHBondContact O-CG 3.46Å; K50-E54 PolarHBondContact O-N 3.02Å; Y51-E54 PolarHBondContact O-N 3.43Å; E54-T57 WeakPolarHBondContact CA-OG1 3.41Å; E54-T57 PolarHBondContact O-OG1 2.77Å; E54-T58 WeakPolarHBondContact O-CB 3.45Å; E54-T58 PolarHBondContact O-N 3.1Å; E54-T58 VanDerWaalsContact O-N 3.1Å; E54-T58 PolarHBondContact O-OG1 2.89Å |
| 55 | L | 97.7 | Very high | 97.1 | Very high | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 173.9 | -73.3 | 178.6 | 0 | 0 | 0 | 111.8 | Y51 V52 E53 T57 T58 V59 | Y51-L55 HydrophobicContact CD1-CD1 3.99Å; Y51-L55 HydrophobicContact CE1-CD1 3.43Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.43Å; Y51-L55 HydrophobicContact CE1-CG 4.24Å; Y51-L55 HydrophobicContact CE2-CD1 4.42Å; Y51-L55 HydrophobicContact CE2-CG 4.42Å; Y51-L55 WeakPolarHBondContact O-CG 3.4Å; Y51-L55 PolarHBondContact O-N 2.88Å; V52-L55 PolarHBondContact O-N 3.49Å; E53-L55 VanDerWaalsContact C-N 3.33Å; E53-L55 PolarHBondContact O-N 3.25Å; L55-T57 PolarHBondContact O-N 2.95Å; L55-T58 PolarHBondContact O-N 2.9Å; L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.21Å |
| 56 | A | 96.9 | Very high | 97 | Very high | 46 Ų | 46 | 99.4 Ų | 99.4 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V52 E53 T58 V59 E60 | V52-A56 WeakPolarHBondContact O-CB 3.36Å; V52-A56 PolarHBondContact O-N 2.99Å; E53-A56 PolarHBondContact O-N 3.46Å; A56-T58 VanDerWaalsContact C-N 3.27Å; A56-T58 PolarHBondContact O-N 3.31Å; A56-V59 PolarHBondContact O-N 3.31Å; A56-E60 WeakPolarHBondContact O-CG 3.4Å; A56-E60 PolarHBondContact O-N 2.93Å |
| 57 | T | 97.3 | Very high | 96.9 | Very high | 51 Ų | 51 | 99.8 Ų | 99.8 | 31% | 0.313 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 178.8 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | E53 E54 L55 K61 | E53-T57 WeakPolarHBondContact O-CB 3.25Å; E53-T57 VanDerWaalsContact O-CG2 3.25Å; E53-T57 WeakPolarHBondContact O-CG2 3.25Å; E53-T57 PolarHBondContact O-N 3.39Å; E53-T57 PolarHBondContact O-OG1 3.48Å; E54-T57 WeakPolarHBondContact CA-OG1 3.41Å; E54-T57 PolarHBondContact O-OG1 2.77Å; L55-T57 PolarHBondContact O-N 2.95Å; T57-K61 WeakPolarHBondContact O-CB 3.49Å; T57-K61 VanDerWaalsContact O-CG 3.25Å; T57-K61 WeakPolarHBondContact O-CG 3.46Å; T57-K61 PolarHBondContact O-N 3.26Å |
| 58 | T | 97.2 | Very high | 96.8 | Very high | 86 Ų | 86 | 102 Ų | 102 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -44.7 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | E54 L55 A56 E60 K61 A62 | E54-T58 WeakPolarHBondContact O-CB 3.45Å; E54-T58 PolarHBondContact O-N 3.1Å; E54-T58 VanDerWaalsContact O-N 3.1Å; E54-T58 PolarHBondContact O-OG1 2.89Å; L55-T58 PolarHBondContact O-N 2.9Å; A56-T58 VanDerWaalsContact C-N 3.27Å; A56-T58 PolarHBondContact O-N 3.31Å; T58-E60 VanDerWaalsContact C-N 3.34Å; T58-E60 PolarHBondContact O-N 2.96Å; T58-K61 PolarHBondContact O-N 3Å; T58-A62 PolarHBondContact O-N 3.02Å |
| 59 | V | 96.6 | Very high | 96.7 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 62% | 0.624 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L55 A56 K61 A62 A63 | L55-V59 WeakPolarHBondContact O-CG2 3.45Å; L55-V59 PolarHBondContact O-N 3.21Å; A56-V59 PolarHBondContact O-N 3.31Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 2.93Å; V59-A62 PolarHBondContact O-N 3.27Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 2.92Å |
| 60 | E | 97.2 | Very high | 96.7 | Very high | 113 Ų | 113 | 102.5 Ų | 102.5 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.3 | -73.8 | 178.5 | -179.4 | 0 | 0 | 113 | A56 T58 R64 | A56-E60 WeakPolarHBondContact O-CG 3.4Å; A56-E60 PolarHBondContact O-N 2.93Å; T58-E60 VanDerWaalsContact C-N 3.34Å; T58-E60 PolarHBondContact O-N 2.96Å; E60-R64 WeakPolarHBondContact O-CB 3.46Å; E60-R64 VanDerWaalsContact O-CG 3.32Å; E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 PolarHBondContact O-N 3.01Å; E60-R64 PolarHBondContact O-NE 3.32Å |
| 61 | K | 97.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 103 Ų | 103 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 174 | -76.9 | 171.2 | -176.8 | 175.1 | 0 | 111.1 | T57 T58 V59 A63 R64 E65 | T57-K61 WeakPolarHBondContact O-CB 3.49Å; T57-K61 VanDerWaalsContact O-CG 3.25Å; T57-K61 WeakPolarHBondContact O-CG 3.46Å; T57-K61 PolarHBondContact O-N 3.26Å; T58-K61 PolarHBondContact O-N 3Å; V59-K61 VanDerWaalsContact C-N 3.35Å; V59-K61 PolarHBondContact O-N 2.93Å; K61-A63 VanDerWaalsContact C-N 3.35Å; K61-A63 PolarHBondContact O-N 3.16Å; K61-R64 PolarHBondContact O-N 3.42Å; K61-R64 VanDerWaalsContact O-N 3.16Å; K61-E65 WeakPolarHBondContact O-CG 3.33Å; K61-E65 PolarHBondContact O-N 3.45Å |
| 62 | A | 96 | Very high | 96.6 | Very high | 55 Ų | 55 | 103.6 Ų | 103.6 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | T58 V59 R64 E65 E66 | T58-A62 PolarHBondContact O-N 3.02Å; V59-A62 PolarHBondContact O-N 3.27Å; A62-R64 VanDerWaalsContact C-N 3.35Å; A62-R64 PolarHBondContact O-N 2.96Å; A62-E65 PolarHBondContact O-N 3.13Å; A62-E66 WeakPolarHBondContact O-CB 3.44Å; A62-E66 PolarHBondContact O-N 2.92Å |
| 63 | A | 96.4 | Very high | 96.5 | Very high | 42 Ų | 42 | 102.9 Ų | 102.9 | 35% | 0.347 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V59 K61 N67 | V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 2.92Å; K61-A63 VanDerWaalsContact C-N 3.35Å; K61-A63 PolarHBondContact O-N 3.16Å; A63-N67 WeakPolarHBondContact O-CB 3.32Å; A63-N67 PolarHBondContact O-N 3.32Å; A63-N67 PolarHBondContact O-ND2 3.44Å; A63-N67 VanDerWaalsContact O-ND2 3.13Å |
| 64 | R | 96.6 | Very high | 96.4 | Very high | 144 Ų | 144 | 100.3 Ų | 100.3 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 175.2 | -78.2 | -174.8 | -66.2 | -164.6 | -3.9 | 112.4 | E60 K61 A62 N67 M68 | E60-R64 WeakPolarHBondContact O-CB 3.46Å; E60-R64 VanDerWaalsContact O-CG 3.32Å; E60-R64 WeakPolarHBondContact O-CG 3.45Å; E60-R64 PolarHBondContact O-N 3.01Å; E60-R64 PolarHBondContact O-NE 3.32Å; K61-R64 PolarHBondContact O-N 3.42Å; K61-R64 VanDerWaalsContact O-N 3.16Å; A62-R64 VanDerWaalsContact C-N 3.35Å; A62-R64 PolarHBondContact O-N 2.96Å; R64-N67 PolarHBondContact O-N 3.36Å; R64-M68 WeakPolarHBondContact O-CG 3.44Å; R64-M68 PolarHBondContact O-N 3.11Å |
| 65 | E | 96.1 | Very high | 96.4 | Very high | 137 Ų | 137 | 98.6 Ų | 98.6 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 177 | -73.6 | 176.5 | -168.6 | 0 | 0 | 111.7 | K61 A62 M68 K69 | K61-E65 WeakPolarHBondContact O-CG 3.33Å; K61-E65 PolarHBondContact O-N 3.45Å; A62-E65 PolarHBondContact O-N 3.13Å; E65-M68 PolarHBondContact O-N 3.44Å; E65-K69 PolarHBondContact O-N 3.02Å |
| 66 | E | 96 | Very high | 96.3 | Very high | 114 Ų | 114 | 101 Ų | 101 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 175.3 | -173.1 | -178 | 175.9 | 0 | 0 | 111.4 | A62 M68 K69 Q70 | A62-E66 WeakPolarHBondContact O-CB 3.44Å; A62-E66 PolarHBondContact O-N 2.92Å; E66-M68 VanDerWaalsContact C-N 3.29Å; E66-M68 PolarHBondContact O-N 3.35Å; E66-K69 WeakPolarHBondContact O-CB 3.37Å; E66-K69 PolarHBondContact O-N 2.97Å; E66-K69 VanDerWaalsContact O-N 3.11Å; E66-Q70 WeakPolarHBondContact O-CG 3.32Å; E66-Q70 PolarHBondContact O-N 2.99Å; E66-Q70 PolarHBondContact OE1-NE2 3.35Å |
| 67 | N | 95.5 | Very high | 96.2 | Very high | 87 Ų | 87 | 107 Ų | 107 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 177.7 | -74.5 | -25.6 | 0 | 0 | 0 | 111.7 | A63 R64 Q70 L71 | A63-N67 WeakPolarHBondContact O-CB 3.32Å; A63-N67 PolarHBondContact O-N 3.32Å; A63-N67 PolarHBondContact O-ND2 3.44Å; A63-N67 VanDerWaalsContact O-ND2 3.13Å; R64-N67 PolarHBondContact O-N 3.36Å; N67-Q70 PolarHBondContact O-N 3.39Å; N67-L71 WeakPolarHBondContact O-CG 3.44Å; N67-L71 PolarHBondContact O-N 2.95Å |
| 68 | M | 95.5 | Very high | 96.1 | Very high | 138 Ų | 138 | 109.4 Ų | 109.4 | 68% | 0.68 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.5 | -42.5 | 175.2 | -77.3 | -176.1 | 155 | 0 | 0 | 112.4 | R64 E65 E66 L71 Y72 | R64-M68 WeakPolarHBondContact O-CG 3.44Å; R64-M68 PolarHBondContact O-N 3.11Å; E65-M68 PolarHBondContact O-N 3.44Å; E66-M68 VanDerWaalsContact C-N 3.29Å; E66-M68 PolarHBondContact O-N 3.35Å; M68-L71 PolarHBondContact O-N 2.99Å; M68-Y72 PolarHBondContact O-N 3.21Å; M68-Y72 VanDerWaalsContact O-N 3.07Å |
| 69 | K | 95.5 | Very high | 96 | Very high | 146 Ų | 146 | 108.1 Ų | 108.1 | 64% | 0.635 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.1 | -44.1 | 176.5 | -172.4 | -176 | 174.9 | -162.1 | 0 | 111.4 | E65 E66 L71 Y72 D73 | E65-K69 PolarHBondContact O-N 3.02Å; E66-K69 WeakPolarHBondContact O-CB 3.37Å; E66-K69 PolarHBondContact O-N 2.97Å; E66-K69 VanDerWaalsContact O-N 3.11Å; K69-L71 VanDerWaalsContact C-N 3.35Å; K69-L71 PolarHBondContact O-N 3.49Å; K69-Y72 PolarHBondContact O-N 3.45Å; K69-D73 PolarHBondContact O-N 2.92Å |
| 70 | Q | 96.4 | Very high | 95.9 | Very high | 97 Ų | 97 | 105 Ų | 105 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 176.1 | -67.6 | -178 | 8.5 | 0 | 0 | 112.1 | E66 N67 Y72 D73 T74 | E66-Q70 WeakPolarHBondContact O-CG 3.32Å; E66-Q70 PolarHBondContact O-N 2.99Å; E66-Q70 PolarHBondContact OE1-NE2 3.35Å; N67-Q70 PolarHBondContact O-N 3.39Å; Q70-Y72 VanDerWaalsContact C-N 3.33Å; Q70-Y72 PolarHBondContact O-N 3.07Å; Q70-D73 PolarHBondContact O-N 2.96Å; Q70-T74 WeakPolarHBondContact O-CB 3.26Å; Q70-T74 VanDerWaalsContact O-CG2 3.26Å; Q70-T74 WeakPolarHBondContact O-CG2 3.46Å; Q70-T74 PolarHBondContact O-N 3.05Å; Q70-T74 PolarHBondContact O-OG1 2.9Å |
| 71 | L | 96.4 | Very high | 95.6 | Very high | 116 Ų | 116 | 107.5 Ų | 107.5 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | 174.7 | -72.6 | 172.5 | 0 | 0 | 0 | 112.6 | N67 M68 K69 T74 T75 | N67-L71 WeakPolarHBondContact O-CG 3.44Å; N67-L71 PolarHBondContact O-N 2.95Å; M68-L71 PolarHBondContact O-N 2.99Å; K69-L71 VanDerWaalsContact C-N 3.35Å; K69-L71 PolarHBondContact O-N 3.49Å; L71-T74 WeakPolarHBondContact CA-OG1 3.4Å; L71-T74 PolarHBondContact O-OG1 3.01Å; L71-T75 WeakPolarHBondContact O-CB 3.41Å; L71-T75 PolarHBondContact O-N 3.38Å; L71-T75 VanDerWaalsContact O-N 3.15Å; L71-T75 PolarHBondContact O-OG1 2.76Å |
| 72 | Y | 95.9 | Very high | 95.3 | Very high | 156 Ų | 156 | 106.4 Ų | 106.4 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67.8 | -46.9 | 175.4 | 179.5 | -95.6 | 0 | 0 | 0 | 111.9 | M68 K69 Q70 T74 T75 K76 | M68-Y72 PolarHBondContact O-N 3.21Å; M68-Y72 VanDerWaalsContact O-N 3.07Å; K69-Y72 PolarHBondContact O-N 3.45Å; Q70-Y72 VanDerWaalsContact C-N 3.33Å; Q70-Y72 PolarHBondContact O-N 3.07Å; Y72-T74 PolarHBondContact O-N 3.45Å; Y72-T75 PolarHBondContact O-N 3.3Å; Y72-K76 HydrophobicContact CE1-CD 4.17Å; Y72-K76 WeakPolarHBondContact O-CB 3.41Å; Y72-K76 PolarHBondContact O-N 3.26Å |
| 73 | D | 95.4 | Very high | 95.1 | Very high | 79 Ų | 79 | 110.7 Ų | 110.7 | 42% | 0.422 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.7 | -40 | -179 | -73.6 | -25.8 | 0 | 0 | 0 | 112.1 | K69 Q70 K76 K77 | K69-D73 PolarHBondContact O-N 2.92Å; Q70-D73 PolarHBondContact O-N 2.96Å; D73-K76 PolarHBondContact O-N 3.39Å; D73-K77 WeakPolarHBondContact O-CB 3.38Å; D73-K77 PolarHBondContact O-N 3.28Å |
| 74 | T | 96.3 | Very high | 94.9 | Very high | 75 Ų | 75 | 111.8 Ų | 111.8 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -44.2 | 174.9 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | Q70 L71 Y72 K77 L78 | Q70-T74 WeakPolarHBondContact O-CB 3.26Å; Q70-T74 VanDerWaalsContact O-CG2 3.26Å; Q70-T74 WeakPolarHBondContact O-CG2 3.46Å; Q70-T74 PolarHBondContact O-N 3.05Å; Q70-T74 PolarHBondContact O-OG1 2.9Å; L71-T74 WeakPolarHBondContact CA-OG1 3.4Å; L71-T74 PolarHBondContact O-OG1 3.01Å; Y72-T74 PolarHBondContact O-N 3.45Å; T74-K77 WeakPolarHBondContact O-CB 3.46Å; T74-K77 PolarHBondContact O-N 3.15Å; T74-L78 WeakPolarHBondContact O-CG 3.48Å; T74-L78 PolarHBondContact O-N 3.05Å |
| 75 | T | 95.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 109.1 Ų | 109.1 | 54% | 0.54 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | L71 Y72 K77 L78 A79 | L71-T75 WeakPolarHBondContact O-CB 3.41Å; L71-T75 PolarHBondContact O-N 3.38Å; L71-T75 VanDerWaalsContact O-N 3.15Å; L71-T75 PolarHBondContact O-OG1 2.76Å; Y72-T75 PolarHBondContact O-N 3.3Å; T75-K77 VanDerWaalsContact C-N 3.3Å; T75-K77 PolarHBondContact O-N 2.9Å; T75-L78 PolarHBondContact O-N 2.98Å; T75-A79 PolarHBondContact O-N 3.2Å |
| 76 | K | 95.8 | Very high | 94.3 | Very high | 135 Ų | 135 | 106 Ų | 106 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -40 | 176.5 | -176.3 | 176.5 | 179.3 | 179.7 | 0 | 111.8 | Y72 D73 G80 | Y72-K76 HydrophobicContact CE1-CD 4.17Å; Y72-K76 WeakPolarHBondContact O-CB 3.41Å; Y72-K76 PolarHBondContact O-N 3.26Å; D73-K76 PolarHBondContact O-N 3.39Å; K76-G80 PolarHBondContact O-N 3.44Å |
| 77 | K | 95.6 | Very high | 94.1 | Very high | 171 Ų | 171 | 106.9 Ų | 106.9 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 176.1 | -172.4 | 177.9 | -178.3 | 179.4 | 0 | 112.1 | D73 T74 T75 R81 | D73-K77 WeakPolarHBondContact O-CB 3.38Å; D73-K77 PolarHBondContact O-N 3.28Å; T74-K77 WeakPolarHBondContact O-CB 3.46Å; T74-K77 PolarHBondContact O-N 3.15Å; T75-K77 VanDerWaalsContact C-N 3.3Å; T75-K77 PolarHBondContact O-N 2.9Å; K77-R81 PolarHBondContact O-N 3.09Å; K77-R81 VanDerWaalsContact O-N 3.09Å |
| 78 | L | 95.3 | Very high | 93.9 | Very high | 102 Ų | 102 | 110.3 Ų | 110.3 | 53% | 0.534 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -49.3 | 176.1 | -69.8 | 174.2 | 0 | 0 | 0 | 111.7 | T74 T75 G80 R81 D82 | T74-L78 WeakPolarHBondContact O-CG 3.48Å; T74-L78 PolarHBondContact O-N 3.05Å; T75-L78 PolarHBondContact O-N 2.98Å; L78-G80 VanDerWaalsContact C-N 3.3Å; L78-G80 PolarHBondContact O-N 3.43Å; L78-R81 WeakPolarHBondContact O-CA 3.46Å; L78-R81 WeakPolarHBondContact O-CB 3.47Å; L78-R81 PolarHBondContact O-N 2.63Å; L78-D82 PolarHBondContact O-N 3.03Å |
| 79 | A | 94.2 | Very high | 93.7 | Very high | 58 Ų | 58 | 108.5 Ų | 108.5 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T75 D82 Q83 | T75-A79 PolarHBondContact O-N 3.2Å; A79-D82 PolarHBondContact O-N 3.3Å; A79-Q83 WeakPolarHBondContact O-CB 3.41Å; A79-Q83 PolarHBondContact O-N 2.98Å |
| 80 | G | 94 | Very high | 93.4 | Very high | 37 Ų | 37 | 110 Ų | 110 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | K76 L78 S84 | K76-G80 PolarHBondContact O-N 3.44Å; L78-G80 VanDerWaalsContact C-N 3.3Å; L78-G80 PolarHBondContact O-N 3.43Å; G80-S84 WeakPolarHBondContact O-CB 3.5Å; G80-S84 PolarHBondContact O-N 3.46Å |
| 81 | R | 93 | Very high | 93.1 | Very high | 166 Ų | 166 | 111.9 Ų | 111.9 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -46.7 | 175.5 | -173.6 | -179.9 | 178.7 | -174.6 | -1.2 | 111.1 | K77 L78 Q83 S84 L85 | K77-R81 PolarHBondContact O-N 3.09Å; K77-R81 VanDerWaalsContact O-N 3.09Å; L78-R81 WeakPolarHBondContact O-CA 3.46Å; L78-R81 WeakPolarHBondContact O-CB 3.47Å; L78-R81 PolarHBondContact O-N 2.63Å; R81-Q83 PolarHBondContact O-N 3.39Å; R81-S84 WeakPolarHBondContact O-CB 3.32Å; R81-S84 PolarHBondContact O-N 2.96Å; R81-S84 VanDerWaalsContact O-N 3.1Å; R81-S84 PolarHBondContact O-OG 2.95Å; R81-L85 HydrophobicContact CG-CD1 4.36Å; R81-L85 WeakPolarHBondContact O-CG 3.41Å; R81-L85 PolarHBondContact O-N 3.1Å |
| 82 | D | 90.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 109.1 Ų | 109.1 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | -179.9 | -64.8 | -24.9 | 0 | 0 | 0 | 111.8 | L78 A79 S84 L85 T86 | L78-D82 PolarHBondContact O-N 3.03Å; A79-D82 PolarHBondContact O-N 3.3Å; D82-S84 VanDerWaalsContact C-N 3.29Å; D82-S84 PolarHBondContact O-N 3.03Å; D82-L85 PolarHBondContact O-N 3.17Å; D82-T86 VanDerWaalsContact O-CG2 3.32Å; D82-T86 WeakPolarHBondContact O-CG2 3.4Å; D82-T86 PolarHBondContact O-N 3.04Å; D82-T86 PolarHBondContact O-OG1 2.94Å; D82-T86 VanDerWaalsContact O-OG1 3.08Å |
| 83 | Q | 91.5 | Very high | 92.2 | Very high | 144 Ų | 144 | 108 Ų | 108 | 67% | 0.673 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -38.2 | 172.7 | -166.9 | -176.4 | 30.6 | 0 | 0 | 112 | A79 R81 T86 K87 | A79-Q83 WeakPolarHBondContact O-CB 3.41Å; A79-Q83 PolarHBondContact O-N 2.98Å; R81-Q83 PolarHBondContact O-N 3.39Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.32Å; Q83-T86 PolarHBondContact O-OG1 2.93Å; Q83-K87 WeakPolarHBondContact O-CB 3.41Å; Q83-K87 PolarHBondContact O-N 3.27Å |
| 84 | S | 92.1 | Very high | 91.7 | Very high | 65 Ų | 65 | 113.8 Ų | 113.8 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 177.2 | 80 | 0 | 0 | 0 | 0 | 112.3 | G80 R81 D82 K87 K88 | G80-S84 WeakPolarHBondContact O-CB 3.5Å; G80-S84 PolarHBondContact O-N 3.46Å; R81-S84 WeakPolarHBondContact O-CB 3.32Å; R81-S84 PolarHBondContact O-N 2.96Å; R81-S84 VanDerWaalsContact O-N 3.1Å; R81-S84 PolarHBondContact O-OG 2.95Å; D82-S84 VanDerWaalsContact C-N 3.29Å; D82-S84 PolarHBondContact O-N 3.03Å; S84-K87 PolarHBondContact O-N 2.91Å; S84-K88 WeakPolarHBondContact O-CB 3.38Å; S84-K88 PolarHBondContact O-N 2.86Å |
| 85 | L | 91 | Very high | 91 | Very high | 89 Ų | 89 | 119 Ų | 119 | 47% | 0.466 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -48.8 | 177.8 | -70.7 | 174.5 | 0 | 0 | 0 | 110.8 | R81 D82 K87 K88 E89 | R81-L85 HydrophobicContact CG-CD1 4.36Å; R81-L85 WeakPolarHBondContact O-CG 3.41Å; R81-L85 PolarHBondContact O-N 3.1Å; D82-L85 PolarHBondContact O-N 3.17Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.08Å; L85-K88 PolarHBondContact O-N 3.24Å; L85-K88 VanDerWaalsContact O-N 3.17Å; L85-E89 WeakPolarHBondContact O-CB 3.42Å; L85-E89 PolarHBondContact O-N 3.47Å |
| 86 | T | 89.8 | Confident | 90.4 | Very high | 70 Ų | 70 | 122.5 Ų | 122.5 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.9 | -40.6 | 176.9 | 55.9 | 0 | 0 | 0 | 0 | 111.9 | D82 Q83 E89 R90 | D82-T86 VanDerWaalsContact O-CG2 3.32Å; D82-T86 WeakPolarHBondContact O-CG2 3.4Å; D82-T86 PolarHBondContact O-N 3.04Å; D82-T86 PolarHBondContact O-OG1 2.94Å; D82-T86 VanDerWaalsContact O-OG1 3.08Å; Q83-T86 WeakPolarHBondContact CA-OG1 3.32Å; Q83-T86 PolarHBondContact O-OG1 2.93Å; T86-E89 PolarHBondContact O-N 3.4Å; T86-R90 WeakPolarHBondContact O-CB 3.5Å; T86-R90 VanDerWaalsContact O-CG 3.27Å; T86-R90 WeakPolarHBondContact O-CG 3.27Å; T86-R90 PolarHBondContact O-N 3.39Å |
| 87 | K | 92 | Very high | 89.6 | Confident | 134 Ų | 134 | 122.5 Ų | 122.5 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 175 | -170.9 | 175.9 | -175.4 | 175.9 | 0 | 112 | Q83 S84 L85 K91 | Q83-K87 WeakPolarHBondContact O-CB 3.41Å; Q83-K87 PolarHBondContact O-N 3.27Å; S84-K87 PolarHBondContact O-N 2.91Å; L85-K87 VanDerWaalsContact C-N 3.33Å; L85-K87 PolarHBondContact O-N 3.08Å; K87-K91 WeakPolarHBondContact O-CG 3.46Å; K87-K91 PolarHBondContact O-N 3.45Å |
| 88 | K | 90.5 | Very high | 88.3 | Confident | 159 Ų | 159 | 117.8 Ų | 117.8 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.6 | -42 | 176.6 | -170.8 | 175.2 | -177.9 | 178 | 0 | 111.2 | S84 L85 K91 S92 | S84-K88 WeakPolarHBondContact O-CB 3.38Å; S84-K88 PolarHBondContact O-N 2.86Å; L85-K88 PolarHBondContact O-N 3.24Å; L85-K88 VanDerWaalsContact O-N 3.17Å; K88-K91 PolarHBondContact O-N 2.92Å; K88-S92 WeakPolarHBondContact O-CB 3.5Å; K88-S92 PolarHBondContact O-N 3.28Å |
| 89 | E | 90.6 | Very high | 86.8 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.8 | -43.8 | 177.5 | -162.4 | -160.8 | 133 | 0 | 0 | 112 | L85 T86 K91 S92 R93 | L85-E89 WeakPolarHBondContact O-CB 3.42Å; L85-E89 PolarHBondContact O-N 3.47Å; T86-E89 PolarHBondContact O-N 3.4Å; E89-K91 VanDerWaalsContact C-N 3.34Å; E89-K91 PolarHBondContact O-N 3.42Å; E89-S92 PolarHBondContact O-N 2.89Å; E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 3.11Å; E89-R93 IonicContact OE1-CZ 3.71Å; E89-R93 IonicContact OE1-NE 3.99Å; E89-R93 PolarHBondContact OE1-NE 3.07Å; E89-R93 IonicContact OE1-NH2 3.28Å; E89-R93 PolarHBondContact OE1-NH2 3.06Å; E89-R93 IonicContact OE2-NH2 3.16Å |
| 90 | R | 90.6 | Very high | 85.3 | Confident | 178 Ų | 178 | 120.3 Ų | 120.3 | 67% | 0.672 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61 | -40.9 | 174.7 | -73.2 | 178.5 | 105.1 | 103.4 | 1.8 | 112.3 | T86 R94 | T86-R90 WeakPolarHBondContact O-CB 3.5Å; T86-R90 VanDerWaalsContact O-CG 3.27Å; T86-R90 WeakPolarHBondContact O-CG 3.27Å; T86-R90 PolarHBondContact O-N 3.39Å; R90-R94 PolarHBondContact O-N 3.42Å |
| 91 | K | 89.5 | Confident | 83.7 | Confident | 136 Ų | 136 | 126.9 Ų | 126.9 | 59% | 0.591 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.8 | -43.8 | 174.4 | -74.9 | -175.2 | 178.5 | -168.8 | 0 | 111.9 | K87 K88 E89 R94 F95 | K87-K91 WeakPolarHBondContact O-CG 3.46Å; K87-K91 PolarHBondContact O-N 3.45Å; K88-K91 PolarHBondContact O-N 2.92Å; E89-K91 VanDerWaalsContact C-N 3.34Å; E89-K91 PolarHBondContact O-N 3.42Å; K91-R94 WeakPolarHBondContact O-CB 3.46Å; K91-R94 PolarHBondContact O-N 2.94Å; K91-F95 PolarHBondContact O-N 3.26Å; K91-F95 VanDerWaalsContact O-N 3.11Å |
| 92 | S | 86.7 | Confident | 82.1 | Confident | 59 Ų | 59 | 122.4 Ų | 122.4 | 41% | 0.413 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.1 | -46 | 176.3 | 179.3 | 0 | 0 | 0 | 0 | 112 | K88 E89 R94 F95 K96 | K88-S92 WeakPolarHBondContact O-CB 3.5Å; K88-S92 PolarHBondContact O-N 3.28Å; E89-S92 PolarHBondContact O-N 2.89Å; S92-R94 VanDerWaalsContact C-N 3.33Å; S92-R94 PolarHBondContact O-N 2.71Å; S92-F95 PolarHBondContact O-N 3.19Å; S92-K96 PolarHBondContact O-N 3.27Å |
| 93 | R | 86.4 | Confident | 80.8 | Confident | 131 Ų | 131 | 127.1 Ų | 127.1 | 49% | 0.494 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -59.3 | -41.6 | 174.2 | -76.3 | -171.4 | -91.3 | 179.6 | -11.4 | 112.5 | E89 F95 K96 N97 | E89-R93 WeakPolarHBondContact O-CG 3.41Å; E89-R93 PolarHBondContact O-N 3.11Å; E89-R93 IonicContact OE1-CZ 3.71Å; E89-R93 IonicContact OE1-NE 3.99Å; E89-R93 PolarHBondContact OE1-NE 3.07Å; E89-R93 IonicContact OE1-NH2 3.28Å; E89-R93 PolarHBondContact OE1-NH2 3.06Å; E89-R93 IonicContact OE2-NH2 3.16Å; R93-F95 PolarHBondContact O-N 3.44Å; R93-K96 PolarHBondContact O-N 3.14Å; R93-N97 PolarHBondContact O-N 3.48Å; R93-N97 VanDerWaalsContact O-N 3.14Å |
| 94 | R | 85.4 | Confident | 79.5 | Confident | 201 Ų | 201 | 127.9 Ų | 127.9 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.8 | -40.5 | 177.4 | -170.1 | -175.1 | -62.8 | -169.4 | -3.5 | 112.5 | R90 K91 S92 G98 | R90-R94 PolarHBondContact O-N 3.42Å; K91-R94 WeakPolarHBondContact O-CB 3.46Å; K91-R94 PolarHBondContact O-N 2.94Å; S92-R94 VanDerWaalsContact C-N 3.33Å; S92-R94 PolarHBondContact O-N 2.71Å; R94-G98 PolarHBondContact O-N 3.32Å |
| 95 | F | 82.2 | Confident | 78.3 | Confident | 186 Ų | 186 | 130.5 Ų | 130.5 | 82% | 0.816 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65 | -41.5 | 177.2 | -179.7 | -102 | 0 | 0 | 0 | 112 | K91 S92 R93 N97 G98 | K91-F95 PolarHBondContact O-N 3.26Å; K91-F95 VanDerWaalsContact O-N 3.11Å; S92-F95 PolarHBondContact O-N 3.19Å; R93-F95 PolarHBondContact O-N 3.44Å; F95-N97 PolarHBondContact O-N 3.48Å; F95-G98 PolarHBondContact O-N 3.46Å |
| 96 | K | 81.3 | Confident | 77.4 | Confident | 160 Ų | 160 | 130.7 Ų | 130.7 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65.9 | -35.3 | 179 | -68.5 | -175.7 | 178.8 | -172.6 | 0 | 113.6 | S92 R93 G98 | S92-K96 PolarHBondContact O-N 3.27Å; R93-K96 PolarHBondContact O-N 3.14Å; K96-G98 VanDerWaalsContact C-N 3.32Å |
| 97 | N | 79.1 | Confident | 76.6 | Confident | 136 Ų | 136 | 138.9 Ų | 138.9 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -4.2 | -176.9 | -64.8 | -5 | 0 | 0 | 0 | 113.6 | R93 F95 G99 | R93-N97 PolarHBondContact O-N 3.48Å; R93-N97 VanDerWaalsContact O-N 3.14Å; F95-N97 PolarHBondContact O-N 3.48Å; N97-G99 PolarHBondContact O-N 3.49Å |
| 98 | G | 69.9 | Low | 74.9 | Confident | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 5.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R94 F95 K96 | R94-G98 PolarHBondContact O-N 3.32Å; F95-G98 PolarHBondContact O-N 3.46Å; K96-G98 VanDerWaalsContact C-N 3.32Å |
| 99 | G | 63.2 | Low | 73.8 | Confident | 53 Ų | 53 | 141.4 Ų | 141.4 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | S | Bend | trans | -148.4 | 95.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | N97 | N97-G99 PolarHBondContact O-N 3.49Š|
| 100 | N | 62.2 | Low | 72.9 | Confident | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | 176.8 | 54 | 145.2 | -100.8 | 1.3 | 0 | 0 | 0 | 112.5 | ||||
| 101 | D | 60.5 | Low | 72 | Confident | 176 Ų | 176 | 141.7 Ų | 141.7 | 94% | 0.941 | 76% | 0.763 | S | S | * | * | trans | -127.8 | 81.3 | 171.5 | -65.9 | -39.7 | 0 | 0 | 0 | 109.3 | ||||
| 102 | G | 59.1 | Low | 71 | Confident | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | -173.7 | 28.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 103 | Q | 62.9 | Low | 70.1 | Confident | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -138.9 | 77.5 | 162.7 | -68.6 | -165.7 | 1.1 | 0 | 0 | 109.8 | ||||
| 104 | N | 63.7 | Low | 69.1 | Low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -119.5 | 75.9 | 151.4 | -169.4 | 22.5 | 0 | 0 | 0 | 108 | S106 | N104-S106 PolarHBondContact O-N 3.2Š| ||
| 105 | T | 67.1 | Low | 68 | Low | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -73.4 | 105.1 | 168 | 51 | 0 | 0 | 0 | 0 | 107.6 | R107 | T105-R107 PolarHBondContact O-N 3.17Å; T105-R107 VanDerWaalsContact O-N 3.17Å | ||
| 106 | S | 73.2 | Confident | 67 | Low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 82% | 0.816 | S | S | * | * | trans | -41 | 117.8 | 163.2 | 176.9 | 0 | 0 | 0 | 0 | 110 | N104 N108 | N104-S106 PolarHBondContact O-N 3.2Å; S106-N108 PolarHBondContact O-N 3.23Å | ||
| 107 | R | 72.6 | Confident | 65.9 | Low | 242 Ų | 242 | 139.9 Ų | 139.9 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | trans | -75 | 103.8 | 168.1 | -74.9 | -171.6 | -159.8 | 111.3 | 4.3 | 107.5 | T105 | T105-R107 PolarHBondContact O-N 3.17Å; T105-R107 VanDerWaalsContact O-N 3.17Å | ||
| 108 | N | 56.1 | Low | 64.8 | Low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | trans | -73.8 | 130.4 | 162.2 | -77 | 12 | 0 | 0 | 0 | 109.4 | S106 | S106-N108 PolarHBondContact O-N 3.23Š| ||
| 109 | C | 67.1 | Low | 64.3 | Low | 205 Ų | 205 | 146.5 Ų | 146.5 | 100% | 1.385 | 84% | 0.843 | S | S | * | * | trans | -141.3 | 0 | 147 | -76.6 | 0 | 0 | 0 | 0 | 107.2 |
Retrieved 109 of 109 residues in 37 ms
(Link to these results)