| 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 | C | 53.4 | Low | 65.7 | Low | 138 Ų | 138 | 130.5 Ų | 130.5 | 93% | 0.932 | 65% | 0.652 | S | S | * | * | 0 | 127.4 | 0 | -67 | 0 | 0 | 0 | 0 | 110.2 | C3 E4 | C1-C3 PolarHBondContact O-N 3.47Å; C1-E4 PolarHBondContact O-N 3.22Å; C1-E4 VanDerWaalsContact O-N 3.14Å | |||
| 2 | P | 56 | Low | 65.2 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 69% | 0.688 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -59.4 | -20.5 | -176.5 | 22.1 | -31.9 | 0 | 0 | 0 | 113.9 | E4 L6 | P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.15Å; P2-L6 PolarHBondContact O-N 3.32Å |
| 3 | C | 58.2 | Low | 64.6 | Low | 97 Ų | 97 | 123 Ų | 123 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.4 | -28.7 | 177.8 | -52.8 | 0 | 0 | 0 | 0 | 114 | C1 R7 | C1-C3 PolarHBondContact O-N 3.47Å; C3-R7 PolarHBondContact O-N 3.34Å |
| 4 | E | 67.7 | Low | 64.2 | Low | 136 Ų | 136 | 117.8 Ų | 117.8 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.1 | -34.2 | -176.5 | -140.4 | -169.4 | 166 | 0 | 0 | 112 | C1 P2 R7 K8 | C1-E4 PolarHBondContact O-N 3.22Å; C1-E4 VanDerWaalsContact O-N 3.14Å; P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.15Å; E4-R7 PolarHBondContact O-N 3.42Å; E4-K8 PolarHBondContact O-N 2.9Å; E4-K8 VanDerWaalsContact O-N 3.12Å |
| 5 | Y | 63.7 | Low | 63.5 | Low | 190 Ų | 190 | 116.7 Ų | 116.7 | 75% | 0.745 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.1 | -41.8 | 176.9 | -155.1 | -92.2 | 0 | 0 | 0 | 111.4 | R7 K8 F9 | Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.41Å; Y5-K8 PolarHBondContact O-N 3.21Å; Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 3.41Å |
| 6 | L | 67.8 | Low | 62.9 | Low | 106 Ų | 106 | 118.3 Ų | 118.3 | 56% | 0.555 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.6 | -39.5 | 173.3 | -102 | 148.1 | 0 | 0 | 0 | 112.2 | P2 F9 I10 | P2-L6 PolarHBondContact O-N 3.32Å; L6-F9 PolarHBondContact O-N 2.97Å; L6-I10 HydrophobicContact CD2-CD1 4.36Å; L6-I10 WeakPolarHBondContact O-CB 3.28Å; L6-I10 WeakPolarHBondContact O-CD1 3.1Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.02Å |
| 7 | R | 71.5 | Confident | 62.2 | Low | 185 Ų | 185 | 120.4 Ų | 120.4 | 70% | 0.698 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.1 | -40.5 | 178.6 | -154.5 | 178.3 | -153.6 | -172.7 | 5.9 | 112.4 | C3 E4 Y5 N11 | C3-R7 PolarHBondContact O-N 3.34Å; E4-R7 PolarHBondContact O-N 3.42Å; Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.41Å; R7-N11 WeakPolarHBondContact O-CB 3.4Å; R7-N11 PolarHBondContact O-N 3.47Å; R7-N11 PolarHBondContact O-ND2 3.31Å |
| 8 | K | 73.4 | Confident | 61.4 | Low | 146 Ų | 146 | 123.1 Ų | 123.1 | 64% | 0.635 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.9 | -46.8 | 171.8 | -90.4 | 178.5 | 176.5 | 172.3 | 0 | 111.1 | E4 Y5 I10 N11 T12 | E4-K8 PolarHBondContact O-N 2.9Å; E4-K8 VanDerWaalsContact O-N 3.12Å; Y5-K8 PolarHBondContact O-N 3.21Å; K8-I10 PolarHBondContact O-N 3.46Å; K8-N11 PolarHBondContact O-N 3.48Å; K8-T12 PolarHBondContact O-N 3.45Å; K8-T12 PolarHBondContact O-OG1 3.02Å |
| 9 | F | 73.6 | Confident | 60.9 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 56% | 0.561 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.5 | -44 | -179.6 | -165.9 | -101.7 | 0 | 0 | 0 | 112.6 | Y5 L6 T12 L13 | Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 3.41Å; L6-F9 PolarHBondContact O-N 2.97Å; F9-T12 PolarHBondContact O-N 3.41Å; F9-L13 HydrophobicContact CD1-CD1 3.91Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CZ-CD1 3.74Å; F9-L13 WeakPolarHBondContact O-CB 3.25Å; F9-L13 PolarHBondContact O-N 3.44Å |
| 10 | I | 72.2 | Confident | 60.2 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 52% | 0.518 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.4 | -40.7 | 176.8 | -67.4 | 165 | 0 | 0 | 0 | 111.2 | L6 K8 L13 A14 | L6-I10 HydrophobicContact CD2-CD1 4.36Å; L6-I10 WeakPolarHBondContact O-CB 3.28Å; L6-I10 WeakPolarHBondContact O-CD1 3.1Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.02Å; K8-I10 PolarHBondContact O-N 3.46Å; I10-L13 PolarHBondContact O-N 3.35Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 2.9Å |
| 11 | N | 65 | Low | 59.6 | Low | 102 Ų | 102 | 124 Ų | 124 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.5 | -37.3 | 178.1 | -72.3 | -14.6 | 0 | 0 | 0 | 112.2 | R7 K8 A14 D15 | R7-N11 WeakPolarHBondContact O-CB 3.4Å; R7-N11 PolarHBondContact O-N 3.47Å; R7-N11 PolarHBondContact O-ND2 3.31Å; K8-N11 PolarHBondContact O-N 3.48Å; N11-A14 PolarHBondContact O-N 3.4Å; N11-D15 WeakPolarHBondContact O-CB 3.25Å; N11-D15 PolarHBondContact O-N 3.45Å |
| 12 | T | 60.1 | Low | 59.3 | Low | 82 Ų | 82 | 124.1 Ų | 124.1 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -68.4 | -35.7 | 173.5 | -46.1 | 0 | 0 | 0 | 0 | 111.7 | K8 F9 D15 H16 | K8-T12 PolarHBondContact O-N 3.45Å; K8-T12 PolarHBondContact O-OG1 3.02Å; F9-T12 PolarHBondContact O-N 3.41Å; T12-D15 PolarHBondContact O-N 2.88Å; T12-H16 PolarHBondContact O-N 3Å; T12-H16 VanDerWaalsContact O-N 3.1Å |
| 13 | L | 57.2 | Low | 58.8 | Low | 82 Ų | 82 | 128.6 Ų | 128.6 | 43% | 0.429 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.7 | -38.8 | 174.9 | -127 | 111.5 | 0 | 0 | 0 | 112.2 | F9 I10 H16 H17 | F9-L13 HydrophobicContact CD1-CD1 3.91Å; F9-L13 HydrophobicContact CE1-CD1 3.38Å; F9-L13 HydrophobicContact CZ-CD1 3.74Å; F9-L13 WeakPolarHBondContact O-CB 3.25Å; F9-L13 PolarHBondContact O-N 3.44Å; I10-L13 PolarHBondContact O-N 3.35Å; L13-H16 PolarHBondContact O-N 3.05Å; L13-H17 PolarHBondContact O-CD2 2.97Å; L13-H17 PolarHBondContact O-N 3.44Å |
| 14 | A | 58.7 | Low | 58.2 | Low | 50 Ų | 50 | 127.1 Ų | 127.1 | 41% | 0.413 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.1 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | I10 N11 H17 H18 | I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 2.9Å; N11-A14 PolarHBondContact O-N 3.4Å; A14-H17 PolarHBondContact O-N 3.31Å; A14-H18 PolarHBondContact O-N 3.08Å |
| 15 | D | 54.3 | Low | 57.3 | Low | 102 Ų | 102 | 124.2 Ų | 124.2 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.5 | -35.3 | 175.3 | -163.1 | 61.2 | 0 | 0 | 0 | 112 | N11 T12 | N11-D15 WeakPolarHBondContact O-CB 3.25Å; N11-D15 PolarHBondContact O-N 3.45Å; T12-D15 PolarHBondContact O-N 2.88Å |
| 16 | H | 53.1 | Low | 56.8 | Low | 141 Ų | 141 | 117.9 Ų | 117.9 | 65% | 0.653 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.7 | -33.2 | 172.6 | -86.9 | 21.8 | 0 | 0 | 0 | 114 | T12 L13 H18 R19 | T12-H16 PolarHBondContact O-N 3Å; T12-H16 VanDerWaalsContact O-N 3.1Å; L13-H16 PolarHBondContact O-N 3.05Å; H16-H18 VanDerWaalsContact C-N 3.29Å; H16-H18 PolarHBondContact O-N 3.02Å; H16-R19 PolarHBondContact O-N 3.47Å |
| 17 | H | 51.9 | Low | 56.2 | Low | 155 Ų | 155 | 117.3 Ų | 117.3 | 72% | 0.718 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73 | -20.1 | 175.7 | -96.5 | -81.3 | 0 | 0 | 0 | 113.6 | L13 A14 | L13-H17 PolarHBondContact O-CD2 2.97Å; L13-H17 PolarHBondContact O-N 3.44Å; A14-H17 PolarHBondContact O-N 3.31Å |
| 18 | H | 47.4 | Very low | 55.3 | Low | 169 Ų | 169 | 117.5 Ų | 117.5 | 78% | 0.782 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -8.5 | 174.1 | -97.5 | -62.8 | 0 | 0 | 0 | 114.4 | A14 H16 | A14-H18 PolarHBondContact O-N 3.08Å; H16-H18 VanDerWaalsContact C-N 3.29Å; H16-H18 PolarHBondContact O-N 3.02Å |
| 19 | R | 51.1 | Low | 54.5 | Low | 207 Ų | 207 | 112.7 Ų | 112.7 | 78% | 0.781 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -108.5 | 28.6 | -174.1 | -128 | 176.4 | 176.6 | 179.4 | -1.6 | 114.1 | H16 | H16-R19 PolarHBondContact O-N 3.47Š|
| 20 | G | 47.8 | Very low | 53.8 | Low | 54 Ų | 54 | 113.6 Ų | 113.6 | 56% | 0.557 | 62% | 0.62 | S | S | * | * | trans | -141.2 | 36 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 21 | T | 48.1 | Very low | 53.2 | Low | 127 Ų | 127 | 112.6 Ų | 112.6 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | trans | -130.2 | 23.3 | 163.5 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 22 | D | 47 | Very low | 53.1 | Low | 140 Ų | 140 | 113.1 Ų | 113.1 | 75% | 0.749 | 62% | 0.62 | S | S | * | * | trans | -96.5 | 14.2 | 179.3 | -63.5 | -24.6 | 0 | 0 | 0 | 113.9 | G24 | D22-G24 PolarHBondContact O-N 2.65Š| ||
| 23 | F | 44.4 | Very low | 53.1 | Low | 201 Ų | 201 | 115 Ų | 115 | 88% | 0.882 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 15.1 | 163.2 | -76.1 | -76.5 | 0 | 0 | 0 | 112.9 | ||
| 24 | G | 46.7 | Very low | 53.1 | Low | 66 Ų | 66 | 113.5 Ų | 113.5 | 68% | 0.68 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 0.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | D22 | D22-G24 PolarHBondContact O-N 2.65Š|
| 25 | G | 48.9 | Very low | 52.9 | Low | 75 Ų | 75 | 118.4 Ų | 118.4 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -106 | 12 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 26 | S | 52.2 | Low | 53.2 | Low | 56 Ų | 56 | 115.9 Ų | 115.9 | 39% | 0.392 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -110.8 | 137.7 | -171.2 | -159.9 | 0 | 0 | 0 | 0 | 112.6 | W28 S29 | S26-W28 PolarHBondContact O-N 3.15Å; S26-S29 PolarHBondContact O-N 2.91Å; S26-S29 VanDerWaalsContact O-N 3.13Å; S26-S29 PolarHBondContact O-OG 3.42Å; S26-S29 VanDerWaalsContact O-OG 3.08Å |
| 27 | P | 56.5 | Low | 53.6 | Low | 94 Ų | 94 | 113.3 Ų | 113.3 | 61% | 0.61 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -16 | -179.8 | -28.2 | 33.6 | 0 | 0 | 0 | 115.9 | H30 V31 | P27-H30 PolarHBondContact O-N 3.33Å; P27-V31 WeakPolarHBondContact O-CG2 3.37Å; P27-V31 PolarHBondContact O-N 3.01Å |
| 28 | W | 51.2 | Low | 54.2 | Low | 189 Ų | 189 | 109.2 Ų | 109.2 | 72% | 0.716 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.2 | -31.3 | 178.1 | -78 | 66 | 0 | 0 | 0 | 114.3 | S26 V31 I32 | S26-W28 PolarHBondContact O-N 3.15Å; W28-V31 PolarHBondContact O-N 3.09Å; W28-I32 WeakPolarHBondContact O-CD1 3.43Å; W28-I32 VanDerWaalsContact O-CG1 3.23Å; W28-I32 WeakPolarHBondContact O-CG1 3.34Å; W28-I32 PolarHBondContact O-N 3.41Å |
| 29 | S | 57.2 | Low | 55.5 | Low | 46 Ų | 46 | 106.6 Ų | 106.6 | 32% | 0.322 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.3 | -38.5 | 177.2 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | S26 V31 I32 I33 | S26-S29 PolarHBondContact O-N 2.91Å; S26-S29 VanDerWaalsContact O-N 3.13Å; S26-S29 PolarHBondContact O-OG 3.42Å; S26-S29 VanDerWaalsContact O-OG 3.08Å; S29-V31 VanDerWaalsContact C-N 3.34Å; S29-I32 PolarHBondContact O-N 2.81Å; S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 3.48Å; S29-I33 VanDerWaalsContact O-N 3.12Å |
| 30 | H | 58.7 | Low | 56.7 | Low | 146 Ų | 146 | 102.5 Ų | 102.5 | 68% | 0.676 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.6 | -39.2 | 171.2 | -73.4 | -74.3 | 0 | 0 | 0 | 112 | P27 I33 A34 | P27-H30 PolarHBondContact O-N 3.33Å; H30-I33 PolarHBondContact O-N 3.4Å; H30-A34 WeakPolarHBondContact O-CB 3.4Å; H30-A34 PolarHBondContact O-N 3.3Å |
| 31 | V | 60.5 | Low | 58 | Low | 80 Ų | 80 | 103.8 Ų | 103.8 | 49% | 0.485 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.1 | -45.8 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | P27 W28 S29 I33 A34 F35 | P27-V31 WeakPolarHBondContact O-CG2 3.37Å; P27-V31 PolarHBondContact O-N 3.01Å; W28-V31 PolarHBondContact O-N 3.09Å; S29-V31 VanDerWaalsContact C-N 3.34Å; V31-I33 VanDerWaalsContact C-N 3.31Å; V31-I33 PolarHBondContact O-N 2.87Å; V31-A34 PolarHBondContact O-N 3.5Å; V31-F35 VanDerWaalsContact O-CB 3.25Å; V31-F35 WeakPolarHBondContact O-CB 3.39Å; V31-F35 PolarHBondContact O-N 2.92Å |
| 32 | I | 61.4 | Low | 59.6 | Low | 113 Ų | 113 | 102.2 Ų | 102.2 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -30 | -178.5 | -66.4 | 161.9 | 0 | 0 | 0 | 112.7 | W28 S29 P36 | W28-I32 WeakPolarHBondContact O-CD1 3.43Å; W28-I32 VanDerWaalsContact O-CG1 3.23Å; W28-I32 WeakPolarHBondContact O-CG1 3.34Å; W28-I32 PolarHBondContact O-N 3.41Å; S29-I32 PolarHBondContact O-N 2.81Å; I32-P36 WeakPolarHBondContact O-CD 3.3Å; I32-P36 WeakPolarHBondContact O-CG 3.48Å |
| 33 | I | 60.4 | Low | 61.3 | Low | 123 Ų | 123 | 99.7 Ų | 99.7 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -90.5 | -34.7 | 178.2 | -62.3 | 170 | 0 | 0 | 0 | 112.3 | S29 H30 V31 P36 T37 | S29-I33 WeakPolarHBondContact O-CG1 3.4Å; S29-I33 PolarHBondContact O-N 3.48Å; S29-I33 VanDerWaalsContact O-N 3.12Å; H30-I33 PolarHBondContact O-N 3.4Å; V31-I33 VanDerWaalsContact C-N 3.31Å; V31-I33 PolarHBondContact O-N 2.87Å; I33-P36 WeakPolarHBondContact O-CD 3.19Å; I33-T37 PolarHBondContact O-OG1 2.84Å; I33-T37 VanDerWaalsContact O-OG1 3.11Å |
| 34 | A | 56.9 | Low | 63 | Low | 50 Ų | 50 | 94 Ų | 94 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.1 | -37.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H30 V31 T37 S38 | H30-A34 WeakPolarHBondContact O-CB 3.4Å; H30-A34 PolarHBondContact O-N 3.3Å; V31-A34 PolarHBondContact O-N 3.5Å; A34-T37 PolarHBondContact O-N 3.45Å; A34-S38 WeakPolarHBondContact O-CB 3.45Å; A34-S38 PolarHBondContact O-N 2.99Å; A34-S38 PolarHBondContact O-OG 3.49Å; A34-S38 VanDerWaalsContact O-OG 3.05Å |
| 35 | F | 55.8 | Low | 64.8 | Low | 153 Ų | 153 | 96.2 Ų | 96.2 | 67% | 0.671 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -42.9 | -178.8 | -141.6 | -94.5 | 0 | 0 | 0 | 113.1 | V31 T37 S38 Y39 | V31-F35 VanDerWaalsContact O-CB 3.25Å; V31-F35 WeakPolarHBondContact O-CB 3.39Å; V31-F35 PolarHBondContact O-N 2.92Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 2.8Å; F35-S38 PolarHBondContact O-N 2.93Å; F35-Y39 WeakPolarHBondContact O-CD1 3.45Å; F35-Y39 PolarHBondContact O-N 3.45Å |
| 36 | P | 60.3 | Low | 66.5 | Low | 49 Ų | 49 | 100.6 Ų | 100.6 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -37.6 | 174.2 | -27.7 | 36.4 | 0 | 0 | 0 | 114.7 | I32 I33 Y39 K40 | I32-P36 WeakPolarHBondContact O-CD 3.3Å; I32-P36 WeakPolarHBondContact O-CG 3.48Å; I33-P36 WeakPolarHBondContact O-CD 3.19Å; P36-Y39 HydrophobicContact CB-CD1 4.31Å; P36-Y39 HydrophobicContact CB-CE1 3.86Å; P36-Y39 VanDerWaalsContact O-CD1 3.22Å; P36-Y39 WeakPolarHBondContact O-CD1 3.27Å; P36-Y39 VanDerWaalsContact O-CE1 3.27Å; P36-Y39 WeakPolarHBondContact O-CE1 3.32Å; P36-K40 VanDerWaalsContact O-CG 3.28Å; P36-K40 WeakPolarHBondContact O-CG 3.02Å; P36-K40 PolarHBondContact O-N 3.31Å |
| 37 | T | 60.3 | Low | 68.3 | Low | 86 Ų | 86 | 101.5 Ų | 101.5 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.7 | -43.3 | -177.3 | -51.8 | 0 | 0 | 0 | 0 | 109.8 | I33 A34 F35 K40 V41 | I33-T37 PolarHBondContact O-OG1 2.84Å; I33-T37 VanDerWaalsContact O-OG1 3.11Å; A34-T37 PolarHBondContact O-N 3.45Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 2.8Å; T37-K40 PolarHBondContact O-N 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.87Å; T37-V41 VanDerWaalsContact O-N 3.14Å |
| 38 | S | 65.6 | Low | 69.8 | Low | 69 Ų | 69 | 100.9 Ų | 100.9 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | A34 F35 K40 V41 V42 | A34-S38 WeakPolarHBondContact O-CB 3.45Å; A34-S38 PolarHBondContact O-N 2.99Å; A34-S38 PolarHBondContact O-OG 3.49Å; A34-S38 VanDerWaalsContact O-OG 3.05Å; F35-S38 PolarHBondContact O-N 2.93Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 2.94Å; S38-V41 PolarHBondContact O-N 3.25Å; S38-V42 WeakPolarHBondContact O-CG2 3.39Å; S38-V42 PolarHBondContact O-N 3.4Å |
| 39 | Y | 74.8 | Confident | 71.5 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 45% | 0.451 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 178.2 | 89.4 | -113.6 | 0 | 0 | 0 | 111.4 | F35 P36 V41 V42 I43 | F35-Y39 WeakPolarHBondContact O-CD1 3.45Å; F35-Y39 PolarHBondContact O-N 3.45Å; P36-Y39 HydrophobicContact CB-CD1 4.31Å; P36-Y39 HydrophobicContact CB-CE1 3.86Å; P36-Y39 VanDerWaalsContact O-CD1 3.22Å; P36-Y39 WeakPolarHBondContact O-CD1 3.27Å; P36-Y39 VanDerWaalsContact O-CE1 3.27Å; P36-Y39 WeakPolarHBondContact O-CE1 3.32Å; Y39-V41 VanDerWaalsContact C-N 3.29Å; Y39-V41 PolarHBondContact O-N 2.91Å; Y39-V42 PolarHBondContact O-N 3.34Å; Y39-I43 HydrophobicContact CD2-CD1 3.57Å; Y39-I43 HydrophobicContact CD2-CG1 4.38Å; Y39-I43 HydrophobicContact CE2-CD1 4.1Å; Y39-I43 WeakPolarHBondContact O-CB 3.17Å; Y39-I43 VanDerWaalsContact O-CG1 3.26Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 2.92Å |
| 40 | K | 75.2 | Confident | 73 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 179.1 | -76.8 | -179.3 | -179.2 | 178.5 | 0 | 111.1 | P36 T37 S38 T44 | P36-K40 VanDerWaalsContact O-CG 3.28Å; P36-K40 WeakPolarHBondContact O-CG 3.02Å; P36-K40 PolarHBondContact O-N 3.31Å; T37-K40 PolarHBondContact O-N 3.24Å; S38-K40 VanDerWaalsContact C-N 3.32Å; S38-K40 PolarHBondContact O-N 2.94Å; K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.49Å; K40-T44 PolarHBondContact O-N 3.41Å; K40-T44 PolarHBondContact O-OG1 3.4Å |
| 41 | V | 76.6 | Confident | 74.3 | Confident | 81 Ų | 81 | 102.2 Ų | 102.2 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 176.2 | 174 | 0 | 0 | 0 | 0 | 110.6 | T37 S38 Y39 I43 T44 L45 | T37-V41 WeakPolarHBondContact O-CG2 3.43Å; T37-V41 PolarHBondContact O-N 2.87Å; T37-V41 VanDerWaalsContact O-N 3.14Å; S38-V41 PolarHBondContact O-N 3.25Å; Y39-V41 VanDerWaalsContact C-N 3.29Å; Y39-V41 PolarHBondContact O-N 2.91Å; V41-I43 PolarHBondContact O-N 3.1Å; V41-T44 PolarHBondContact O-N 3.18Å; V41-L45 HydrophobicContact CG1-CD1 3.84Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.33Å; V41-L45 VanDerWaalsContact O-CG 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 2.82Å |
| 42 | V | 80.7 | Confident | 75.4 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | S38 Y39 T44 L45 W46 | S38-V42 WeakPolarHBondContact O-CG2 3.39Å; S38-V42 PolarHBondContact O-N 3.4Å; Y39-V42 PolarHBondContact O-N 3.34Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.97Å; V42-L45 PolarHBondContact O-N 3.39Å; V42-W46 WeakPolarHBondContact O-CB 3.34Å; V42-W46 PolarHBondContact O-N 3.22Å |
| 43 | I | 83.4 | Confident | 76.3 | Confident | 86 Ų | 86 | 99 Ų | 99 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.5 | -68.9 | 178.6 | 0 | 0 | 0 | 110.5 | Y39 V41 L45 W46 I47 | Y39-I43 HydrophobicContact CD2-CD1 3.57Å; Y39-I43 HydrophobicContact CD2-CG1 4.38Å; Y39-I43 HydrophobicContact CE2-CD1 4.1Å; Y39-I43 WeakPolarHBondContact O-CB 3.17Å; Y39-I43 VanDerWaalsContact O-CG1 3.26Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 2.92Å; V41-I43 PolarHBondContact O-N 3.1Å; I43-L45 PolarHBondContact O-N 3.36Å; I43-W46 PolarHBondContact O-N 3.1Å; I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.36Å; I43-I47 WeakPolarHBondContact O-CB 3.37Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.3Å; I43-I47 PolarHBondContact O-N 2.97Å |
| 44 | T | 80.4 | Confident | 77.2 | Confident | 83 Ų | 83 | 97.2 Ų | 97.2 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | K40 V41 V42 I47 V48 | K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.49Å; K40-T44 PolarHBondContact O-N 3.41Å; K40-T44 PolarHBondContact O-OG1 3.4Å; V41-T44 PolarHBondContact O-N 3.18Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.97Å; T44-I47 PolarHBondContact O-N 2.83Å; T44-V48 VanDerWaalsContact O-CG2 3.31Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.04Å |
| 45 | L | 83.1 | Confident | 78.4 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 175.9 | -72.2 | 171.5 | 0 | 0 | 0 | 111.9 | V41 V42 I43 V48 Y49 | V41-L45 HydrophobicContact CG1-CD1 3.84Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.33Å; V41-L45 VanDerWaalsContact O-CG 3.29Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 2.82Å; V42-L45 PolarHBondContact O-N 3.39Å; I43-L45 PolarHBondContact O-N 3.36Å; L45-V48 PolarHBondContact O-N 2.89Å; L45-Y49 VanDerWaalsContact O-CB 3.29Å; L45-Y49 WeakPolarHBondContact O-CB 3.29Å; L45-Y49 PolarHBondContact O-N 3.32Å |
| 46 | W | 86.2 | Confident | 79.2 | Confident | 166 Ų | 166 | 99.9 Ų | 99.9 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 177.4 | -171 | 72.5 | 0 | 0 | 0 | 112 | V42 I43 Y49 L50 | V42-W46 WeakPolarHBondContact O-CB 3.34Å; V42-W46 PolarHBondContact O-N 3.22Å; I43-W46 PolarHBondContact O-N 3.1Å; W46-Y49 PolarHBondContact O-N 3.5Å; W46-L50 HydrophobicContact CH2-CD1 4.32Å; W46-L50 HydrophobicContact CZ2-CD1 4.12Å; W46-L50 WeakPolarHBondContact O-CB 3.31Å; W46-L50 PolarHBondContact O-N 3.27Å |
| 47 | I | 88.3 | Confident | 79.7 | Confident | 76 Ų | 76 | 102 Ų | 102 | 39% | 0.39 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -50.9 | 174.3 | -70.5 | 168.4 | 0 | 0 | 0 | 110 | I43 T44 Y49 L50 W51 | I43-I47 HydrophobicContact CG2-CD1 3.71Å; I43-I47 HydrophobicContact CG2-CG1 4.36Å; I43-I47 WeakPolarHBondContact O-CB 3.37Å; I43-I47 VanDerWaalsContact O-CG1 3.23Å; I43-I47 WeakPolarHBondContact O-CG1 3.3Å; I43-I47 PolarHBondContact O-N 2.97Å; T44-I47 PolarHBondContact O-N 2.83Å; I47-Y49 VanDerWaalsContact C-N 3.31Å; I47-Y49 PolarHBondContact O-N 3.47Å; I47-L50 PolarHBondContact O-N 3.1Å; I47-W51 PolarHBondContact O-N 2.93Å |
| 48 | V | 88.7 | Confident | 80.2 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 179.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | T44 L45 L50 W51 V52 | T44-V48 VanDerWaalsContact O-CG2 3.31Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.04Å; L45-V48 PolarHBondContact O-N 2.89Å; V48-L50 PolarHBondContact O-N 2.89Å; V48-W51 PolarHBondContact O-N 2.88Å; V48-V52 HydrophobicContact CG1-CG2 4.33Å; V48-V52 VanDerWaalsContact O-CG2 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.45Å; V48-V52 PolarHBondContact O-N 3.49Å |
| 49 | Y | 87.9 | Confident | 79.9 | Confident | 163 Ų | 163 | 104.1 Ų | 104.1 | 64% | 0.639 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -43.6 | 177 | -179 | -99.5 | 0 | 0 | 0 | 112.5 | L45 W46 I47 V52 S53 | L45-Y49 VanDerWaalsContact O-CB 3.29Å; L45-Y49 WeakPolarHBondContact O-CB 3.29Å; L45-Y49 PolarHBondContact O-N 3.32Å; W46-Y49 PolarHBondContact O-N 3.5Å; I47-Y49 VanDerWaalsContact C-N 3.31Å; I47-Y49 PolarHBondContact O-N 3.47Å; Y49-V52 PolarHBondContact O-N 3.01Å; Y49-S53 VanDerWaalsContact O-CB 3.29Å; Y49-S53 WeakPolarHBondContact O-CB 3.2Å; Y49-S53 PolarHBondContact O-N 3.31Å; Y49-S53 PolarHBondContact O-OG 2.92Å |
| 50 | L | 87.2 | Confident | 78.8 | Confident | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 177.1 | -164.5 | 115.4 | 0 | 0 | 0 | 111.2 | W46 I47 V48 S53 L54 | W46-L50 HydrophobicContact CH2-CD1 4.32Å; W46-L50 HydrophobicContact CZ2-CD1 4.12Å; W46-L50 WeakPolarHBondContact O-CB 3.31Å; W46-L50 PolarHBondContact O-N 3.27Å; I47-L50 PolarHBondContact O-N 3.1Å; V48-L50 PolarHBondContact O-N 2.89Å; L50-S53 PolarHBondContact O-N 3.42Å; L50-L54 VanDerWaalsContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.31Å |
| 51 | W | 86 | Confident | 77.7 | Confident | 156 Ų | 156 | 107.2 Ų | 107.2 | 59% | 0.591 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.8 | -45 | 175.3 | -85.1 | 100 | 0 | 0 | 0 | 112.6 | I47 V48 S53 L54 L55 | I47-W51 PolarHBondContact O-N 2.93Å; V48-W51 PolarHBondContact O-N 2.88Å; W51-S53 VanDerWaalsContact C-N 3.33Å; W51-S53 PolarHBondContact O-N 2.88Å; W51-L54 PolarHBondContact O-N 3.46Å; W51-L55 VanDerWaalsContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CB 3.4Å; W51-L55 WeakPolarHBondContact O-CD1 3.33Å; W51-L55 WeakPolarHBondContact O-CG 3.32Å; W51-L55 PolarHBondContact O-N 3.22Å |
| 52 | V | 83.7 | Confident | 76.4 | Confident | 82 Ų | 82 | 111.4 Ų | 111.4 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | V48 Y49 L55 K56 | V48-V52 HydrophobicContact CG1-CG2 4.33Å; V48-V52 VanDerWaalsContact O-CG2 3.31Å; V48-V52 WeakPolarHBondContact O-CG2 3.45Å; V48-V52 PolarHBondContact O-N 3.49Å; Y49-V52 PolarHBondContact O-N 3.01Å; V52-L55 PolarHBondContact O-N 3.39Å; V52-K56 VanDerWaalsContact O-CB 3.25Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 PolarHBondContact O-N 3.37Å |
| 53 | S | 81.5 | Confident | 74.9 | Confident | 42 Ų | 42 | 112.3 Ų | 112.3 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Y49 L50 W51 K56 T57 | Y49-S53 VanDerWaalsContact O-CB 3.29Å; Y49-S53 WeakPolarHBondContact O-CB 3.2Å; Y49-S53 PolarHBondContact O-N 3.31Å; Y49-S53 PolarHBondContact O-OG 2.92Å; L50-S53 PolarHBondContact O-N 3.42Å; W51-S53 VanDerWaalsContact C-N 3.33Å; W51-S53 PolarHBondContact O-N 2.88Å; S53-K56 PolarHBondContact O-N 2.9Å; S53-T57 WeakPolarHBondContact O-CG2 3.37Å; S53-T57 PolarHBondContact O-N 3.49Å; S53-T57 PolarHBondContact O-OG1 2.81Å; S53-T57 VanDerWaalsContact O-OG1 3.1Å |
| 54 | L | 79.6 | Confident | 73.3 | Confident | 86 Ų | 86 | 111.1 Ų | 111.1 | 45% | 0.45 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65 | -44 | 173.6 | -167.1 | 94.7 | 0 | 0 | 0 | 111.5 | L50 W51 K56 T57 I58 | L50-L54 VanDerWaalsContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.31Å; W51-L54 PolarHBondContact O-N 3.46Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.4Å; L54-T57 WeakPolarHBondContact CA-OG1 3.33Å; L54-T57 PolarHBondContact O-N 2.89Å; L54-T57 PolarHBondContact O-OG1 2.87Å; L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.95Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CD1 3.25Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.23Å; L54-I58 PolarHBondContact O-N 3.46Å |
| 55 | L | 80.3 | Confident | 71.8 | Confident | 104 Ų | 104 | 112.6 Ų | 112.6 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.9 | -41.8 | 176.1 | -82.7 | 155.3 | 0 | 0 | 0 | 111 | W51 V52 I58 F59 | W51-L55 VanDerWaalsContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CB 3.4Å; W51-L55 WeakPolarHBondContact O-CD1 3.33Å; W51-L55 WeakPolarHBondContact O-CG 3.32Å; W51-L55 PolarHBondContact O-N 3.22Å; V52-L55 PolarHBondContact O-N 3.39Å; L55-I58 PolarHBondContact O-N 2.95Å; L55-F59 VanDerWaalsContact O-CB 3.3Å; L55-F59 WeakPolarHBondContact O-CB 3.35Å; L55-F59 PolarHBondContact O-N 2.89Å |
| 56 | K | 73.8 | Confident | 70.2 | Confident | 156 Ų | 156 | 114.1 Ų | 114.1 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -44.3 | 178 | -165.5 | 172.1 | 174 | 87.8 | 0 | 111.2 | V52 S53 L54 F59 W60 | V52-K56 VanDerWaalsContact O-CB 3.25Å; V52-K56 WeakPolarHBondContact O-CB 3.34Å; V52-K56 PolarHBondContact O-N 3.37Å; S53-K56 PolarHBondContact O-N 2.9Å; L54-K56 VanDerWaalsContact C-N 3.32Å; L54-K56 PolarHBondContact O-N 3.4Å; K56-F59 PolarHBondContact O-N 2.82Å; K56-W60 VanDerWaalsContact O-CB 3.3Å; K56-W60 WeakPolarHBondContact O-CB 3.29Å; K56-W60 PolarHBondContact O-N 3.39Å |
| 57 | T | 70.2 | Confident | 68.6 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 56% | 0.564 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.4 | -41.1 | 175.8 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | S53 L54 S61 | S53-T57 WeakPolarHBondContact O-CG2 3.37Å; S53-T57 PolarHBondContact O-N 3.49Å; S53-T57 PolarHBondContact O-OG1 2.81Å; S53-T57 VanDerWaalsContact O-OG1 3.1Å; L54-T57 WeakPolarHBondContact CA-OG1 3.33Å; L54-T57 PolarHBondContact O-N 2.89Å; L54-T57 PolarHBondContact O-OG1 2.87Å; T57-S61 WeakPolarHBondContact O-CB 3.49Å; T57-S61 PolarHBondContact O-N 3.45Å |
| 58 | I | 70.5 | Confident | 66.9 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.9 | -40.3 | 175.7 | -67 | 166.6 | 0 | 0 | 0 | 111.6 | L54 L55 S61 R62 | L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.95Å; L54-I58 WeakPolarHBondContact O-CB 3.41Å; L54-I58 WeakPolarHBondContact O-CD1 3.25Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.23Å; L54-I58 PolarHBondContact O-N 3.46Å; L55-I58 PolarHBondContact O-N 2.95Å; I58-S61 WeakPolarHBondContact O-CB 3.3Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-R62 PolarHBondContact O-N 2.83Å |
| 59 | F | 59.7 | Low | 65.3 | Low | 111 Ų | 111 | 108.2 Ų | 108.2 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.1 | -34.8 | -178 | -144.3 | -97.2 | 0 | 0 | 0 | 112.2 | L55 K56 S61 R62 N63 | L55-F59 VanDerWaalsContact O-CB 3.3Å; L55-F59 WeakPolarHBondContact O-CB 3.35Å; L55-F59 PolarHBondContact O-N 2.89Å; K56-F59 PolarHBondContact O-N 2.82Å; F59-S61 VanDerWaalsContact C-N 3.33Å; F59-R62 PolarHBondContact O-N 3.41Å; F59-R62 VanDerWaalsContact O-N 3.1Å; F59-N63 WeakPolarHBondContact CD1-ND2 3.47Å; F59-N63 VanDerWaalsContact CE1-ND2 3.29Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.29Å; F59-N63 PolarHBondContact O-N 3.02Å |
| 60 | W | 52.3 | Low | 63.9 | Low | 220 Ų | 220 | 104.6 Ų | 104.6 | 83% | 0.833 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -37.7 | 172 | -135.1 | 40 | 0 | 0 | 0 | 111.7 | K56 R62 N63 G64 | K56-W60 VanDerWaalsContact O-CB 3.3Å; K56-W60 WeakPolarHBondContact O-CB 3.29Å; K56-W60 PolarHBondContact O-N 3.39Å; W60-R62 PolarHBondContact O-N 3.38Å; W60-N63 PolarHBondContact O-N 3.41Å; W60-G64 PolarHBondContact O-N 3.43Å |
| 61 | S | 52.6 | Low | 62.4 | Low | 81 Ų | 81 | 104.9 Ų | 104.9 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -24.2 | 170.4 | 155.5 | 0 | 0 | 0 | 0 | 113.6 | T57 I58 F59 | T57-S61 WeakPolarHBondContact O-CB 3.49Å; T57-S61 PolarHBondContact O-N 3.45Å; I58-S61 WeakPolarHBondContact O-CB 3.3Å; I58-S61 PolarHBondContact O-N 3.21Å; F59-S61 VanDerWaalsContact C-N 3.33Å |
| 62 | R | 49.6 | Very low | 60.9 | Low | 169 Ų | 169 | 104.3 Ų | 104.3 | 64% | 0.638 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -97.9 | -27.4 | -177.9 | -164.7 | 146.4 | 73.3 | -177.9 | 5.3 | 113.7 | I58 F59 W60 | I58-R62 PolarHBondContact O-N 2.83Å; F59-R62 PolarHBondContact O-N 3.41Å; F59-R62 VanDerWaalsContact O-N 3.1Å; W60-R62 PolarHBondContact O-N 3.38Å |
| 63 | N | 47.7 | Very low | 59.7 | Low | 113 Ų | 113 | 105.6 Ų | 105.6 | 60% | 0.604 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -92.7 | -12.6 | -177.7 | -74.3 | 7.4 | 0 | 0 | 0 | 114.4 | F59 W60 | F59-N63 WeakPolarHBondContact CD1-ND2 3.47Å; F59-N63 VanDerWaalsContact CE1-ND2 3.29Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.29Å; F59-N63 PolarHBondContact O-N 3.02Å; W60-N63 PolarHBondContact O-N 3.41Å |
| 64 | G | 49.5 | Very low | 58.7 | Low | 60 Ų | 60 | 111.9 Ų | 111.9 | 62% | 0.619 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -94.9 | -2.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | W60 | W60-G64 PolarHBondContact O-N 3.43Š|
| 65 | H | 50.3 | Low | 57.7 | Low | 114 Ų | 114 | 110.4 Ų | 110.4 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -114 | 7.3 | -164.8 | -96.4 | -37.3 | 0 | 0 | 0 | 117.1 | T69 | H65-T69 PolarHBondContact O-OG1 3.42Š|
| 66 | D | 49.8 | Very low | 56.6 | Low | 144 Ų | 144 | 112.9 Ų | 112.9 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -99.9 | -1.7 | -171.5 | -75.7 | -12.5 | 0 | 0 | 0 | 115.5 | ||
| 67 | G | 52.3 | Low | 55.8 | Low | 56 Ų | 56 | 113.3 Ų | 113.3 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -109.5 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 68 | S | 52.5 | Low | 55.2 | Low | 77 Ų | 77 | 112.5 Ų | 112.5 | 54% | 0.538 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -85.8 | -33.5 | -168.3 | 168.7 | 0 | 0 | 0 | 0 | 113.6 | Q72 | S68-Q72 WeakPolarHBondContact O-CG 3.45Å; S68-Q72 PolarHBondContact O-N 3.48Å; S68-Q72 VanDerWaalsContact O-N 3.09Å |
| 69 | T | 54.4 | Low | 54.7 | Low | 66 Ų | 66 | 113.2 Ų | 113.2 | 41% | 0.405 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70 | -34.8 | -179.2 | 43.2 | 0 | 0 | 0 | 0 | 112.3 | H65 Q73 | H65-T69 PolarHBondContact O-OG1 3.42Å; T69-Q73 WeakPolarHBondContact O-CB 3.3Å; T69-Q73 PolarHBondContact O-N 3.3Å |
| 70 | D | 58.1 | Low | 54.6 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67 | -42.3 | 177.1 | -170.8 | 66.1 | 0 | 0 | 0 | 111.8 | Q73 R74 | D70-Q73 PolarHBondContact O-N 2.85Å; D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 3.38Å; D70-R74 IonicContact OD2-NH1 2.87Å |
| 71 | V | 57.2 | Low | 54.9 | Low | 96 Ų | 96 | 113.8 Ų | 113.8 | 58% | 0.582 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.6 | -45.5 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 111 | Q73 R74 A75 | V71-Q73 VanDerWaalsContact C-N 3.35Å; V71-Q73 PolarHBondContact O-N 2.85Å; V71-R74 PolarHBondContact O-N 3.49Å; V71-A75 WeakPolarHBondContact O-CB 3.49Å; V71-A75 PolarHBondContact O-N 2.97Å |
| 72 | Q | 54.5 | Low | 54.9 | Low | 144 Ų | 144 | 119.3 Ų | 119.3 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66 | -37.2 | 176.9 | -70 | -128.6 | -32 | 0 | 0 | 112.2 | S68 W76 | S68-Q72 WeakPolarHBondContact O-CG 3.45Å; S68-Q72 PolarHBondContact O-N 3.48Å; S68-Q72 VanDerWaalsContact O-N 3.09Å; Q72-W76 VanDerWaalsContact O-CB 3.25Å; Q72-W76 WeakPolarHBondContact O-CB 3.25Å; Q72-W76 PolarHBondContact O-N 2.86Å |
| 73 | Q | 57.9 | Low | 55 | Low | 108 Ų | 108 | 116.2 Ų | 116.2 | 51% | 0.505 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -74.6 | -31.5 | 178.8 | -167 | 153.2 | -38.8 | 0 | 0 | 112.4 | T69 D70 V71 R77 | T69-Q73 WeakPolarHBondContact O-CB 3.3Å; T69-Q73 PolarHBondContact O-N 3.3Å; D70-Q73 PolarHBondContact O-N 2.85Å; V71-Q73 VanDerWaalsContact C-N 3.35Å; V71-Q73 PolarHBondContact O-N 2.85Å; Q73-R77 WeakPolarHBondContact O-CB 3.46Å; Q73-R77 WeakPolarHBondContact O-CG 3.22Å; Q73-R77 PolarHBondContact O-N 3.27Å |
| 74 | R | 61.1 | Low | 55.3 | Low | 175 Ų | 175 | 116.1 Ų | 116.1 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.7 | -42.7 | 170.8 | -174.5 | 176.6 | -95.7 | 152.3 | -7.4 | 111.5 | D70 V71 R77 S78 | D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 3.38Å; D70-R74 IonicContact OD2-NH1 2.87Å; V71-R74 PolarHBondContact O-N 3.49Å; R74-R77 PolarHBondContact O-N 3.32Å; R74-S78 WeakPolarHBondContact O-CB 3.26Å; R74-S78 PolarHBondContact O-N 2.87Å |
| 75 | A | 57.8 | Low | 55.5 | Low | 54 Ų | 54 | 115.8 Ų | 115.8 | 45% | 0.446 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.3 | -40.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | V71 S78 N79 | V71-A75 WeakPolarHBondContact O-CB 3.49Å; V71-A75 PolarHBondContact O-N 2.97Å; A75-S78 PolarHBondContact O-N 2.85Å; A75-N79 PolarHBondContact O-N 3.37Å |
| 76 | W | 56.5 | Low | 55.4 | Low | 156 Ų | 156 | 116.6 Ų | 116.6 | 59% | 0.591 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -41 | 177.3 | -169.1 | 84.1 | 0 | 0 | 0 | 112.8 | Q72 S78 N79 R80 | Q72-W76 VanDerWaalsContact O-CB 3.25Å; Q72-W76 WeakPolarHBondContact O-CB 3.25Å; Q72-W76 PolarHBondContact O-N 2.86Å; W76-S78 VanDerWaalsContact C-N 3.32Å; W76-S78 PolarHBondContact O-N 2.87Å; W76-N79 PolarHBondContact O-N 3.25Å; W76-R80 WeakPolarHBondContact O-CB 3.41Å; W76-R80 PolarHBondContact O-N 2.94Å |
| 77 | R | 57.3 | Low | 55.3 | Low | 166 Ų | 166 | 118.4 Ų | 118.4 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.1 | -35.6 | 173.8 | -79.6 | -175.7 | -178.3 | 158.3 | 0.6 | 112.6 | Q73 R74 R81 | Q73-R77 WeakPolarHBondContact O-CB 3.46Å; Q73-R77 WeakPolarHBondContact O-CG 3.22Å; Q73-R77 PolarHBondContact O-N 3.27Å; R74-R77 PolarHBondContact O-N 3.32Å; R77-R81 PolarHBondContact O-N 2.99Å |
| 78 | S | 58 | Low | 55.1 | Low | 75 Ų | 75 | 120.4 Ų | 120.4 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.1 | -47 | 175.6 | 175.8 | 0 | 0 | 0 | 0 | 112 | R74 A75 W76 R80 R81 R82 | R74-S78 WeakPolarHBondContact O-CB 3.26Å; R74-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-N 2.85Å; W76-S78 VanDerWaalsContact C-N 3.32Å; W76-S78 PolarHBondContact O-N 2.87Å; S78-R80 VanDerWaalsContact C-N 3.34Å; S78-R80 PolarHBondContact O-N 3.37Å; S78-R81 PolarHBondContact O-N 2.9Å; S78-R82 PolarHBondContact O-N 3.38Å |
| 79 | N | 59.4 | Low | 55 | Low | 104 Ų | 104 | 123.7 Ų | 123.7 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.9 | -30.3 | 179.4 | -105.6 | -30.6 | 0 | 0 | 0 | 113.4 | A75 W76 R82 Q83 | A75-N79 PolarHBondContact O-N 3.37Å; W76-N79 PolarHBondContact O-N 3.25Å; N79-R82 PolarHBondContact O-N 3.5Å; N79-Q83 PolarHBondContact O-N 3.35Å |
| 80 | R | 57.1 | Low | 54.7 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 51% | 0.506 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.7 | -41.2 | 176.7 | -171.4 | 166 | -178.2 | 167.7 | 3 | 112.5 | W76 S78 Q83 E84 | W76-R80 WeakPolarHBondContact O-CB 3.41Å; W76-R80 PolarHBondContact O-N 2.94Å; S78-R80 VanDerWaalsContact C-N 3.34Å; S78-R80 PolarHBondContact O-N 3.37Å; R80-Q83 PolarHBondContact O-N 2.86Å; R80-E84 WeakPolarHBondContact CG-OE1 3.3Å; R80-E84 IonicContact NE-OE1 3.45Å; R80-E84 PolarHBondContact NE-OE1 3.46Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 3.4Å |
| 81 | R | 58.6 | Low | 54.4 | Low | 209 Ų | 209 | 129.5 Ų | 129.5 | 79% | 0.789 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.3 | -37.2 | 175 | -72 | -170.5 | -178.1 | -171.8 | 0.8 | 112.7 | R77 S78 | R77-R81 PolarHBondContact O-N 2.99Å; S78-R81 PolarHBondContact O-N 2.9Å |
| 82 | R | 53.7 | Low | 53.6 | Low | 198 Ų | 198 | 132.7 Ų | 132.7 | 75% | 0.747 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.9 | -35.6 | 173.2 | -92.8 | -169.1 | -178.8 | -176.2 | 1.4 | 113.3 | S78 N79 | S78-R82 PolarHBondContact O-N 3.38Å; N79-R82 PolarHBondContact O-N 3.5Å |
| 83 | Q | 51.4 | Low | 53.4 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -74.2 | -29.6 | 176 | -80.8 | -141.9 | -2.2 | 0 | 0 | 113.6 | N79 R80 G85 L86 R87 | N79-Q83 PolarHBondContact O-N 3.35Å; R80-Q83 PolarHBondContact O-N 2.86Å; Q83-G85 PolarHBondContact O-N 3.43Å; Q83-L86 PolarHBondContact O-N 2.85Å; Q83-R87 VanDerWaalsContact O-CB 3.28Å; Q83-R87 WeakPolarHBondContact O-CB 3.33Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.41Å; Q83-R87 PolarHBondContact O-N 2.78Å |
| 84 | E | 53.7 | Low | 52.4 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 52% | 0.519 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.2 | -29.3 | 175.5 | -77.8 | 162.8 | -174.5 | 0 | 0 | 112 | R80 | R80-E84 WeakPolarHBondContact CG-OE1 3.3Å; R80-E84 IonicContact NE-OE1 3.45Å; R80-E84 PolarHBondContact NE-OE1 3.46Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 3.4Å |
| 85 | G | 54.9 | Low | 51.7 | Low | 53 Ų | 53 | 137.5 Ų | 137.5 | 55% | 0.546 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -77 | -23.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q83 | Q83-G85 PolarHBondContact O-N 3.43Å |
| 86 | L | 47.2 | Very low | 51 | Low | 131 Ų | 131 | 145.6 Ų | 145.6 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -94.7 | -18.3 | 177.6 | -77.7 | 166.5 | 0 | 0 | 0 | 113.4 | Q83 S88 | Q83-L86 PolarHBondContact O-N 2.85Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.08Å |
| 87 | R | 47.6 | Very low | 50.3 | Low | 183 Ų | 183 | 144.4 Ų | 144.4 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -11.6 | -178.4 | -86.8 | 177.7 | -179.3 | -152.9 | -0.6 | 114.5 | Q83 I89 | Q83-R87 VanDerWaalsContact O-CB 3.28Å; Q83-R87 WeakPolarHBondContact O-CB 3.33Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.41Å; Q83-R87 PolarHBondContact O-N 2.78Å; R87-I89 VanDerWaalsContact C-N 3.32Å |
| 88 | S | 49.1 | Very low | 49.6 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -7.2 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 114 | L86 | L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.08Å |
| 89 | I | 50.2 | Low | 49.3 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 75% | 0.749 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -115 | -10.7 | -173 | -59.2 | 178.4 | 0 | 0 | 0 | 114.2 | R87 | R87-I89 VanDerWaalsContact C-N 3.32Š|
| 90 | C | 48.3 | Very low | 48.6 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 69% | 0.689 | 72% | 0.719 | S | S | * | * | trans | -135 | 87.9 | -176.4 | -169.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 91 | M | 50.2 | Low | 48.2 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | trans | -93.4 | 98.4 | 152.4 | -82 | -117.5 | 76.5 | 0 | 0 | 107.8 | ||||
| 92 | H | 41.6 | Very low | 47.7 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -152.7 | 113.6 | 150.3 | -100.9 | -72.4 | 0 | 0 | 0 | 111.7 | ||||
| 93 | T | 50.8 | Low | 47.8 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | trans | 38.3 | 97.5 | 151.3 | 58 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 94 | K | 36.6 | Very low | 48 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | -130 | 98.9 | 142.2 | -87.3 | -172.8 | 177.4 | 176.2 | 0 | 110.2 | R96 | K94-R96 PolarHBondContact O-N 3.13Å; K94-R96 VanDerWaalsContact O-N 3.15Å | ||
| 95 | K | 45.7 | Very low | 48.1 | Very low | 212 Ų | 212 | 145 Ų | 145 | 92% | 0.922 | 74% | 0.743 | S | S | * | * | trans | -55.5 | 114.1 | 160 | -83.5 | -176.4 | 176.7 | 177.5 | 0 | 107.5 | ||||
| 96 | R | 43.3 | Very low | 48.2 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | trans | -97.9 | 108.8 | 164.5 | -73 | -169.7 | 178.5 | -172 | -0.4 | 107.9 | K94 S98 | K94-R96 PolarHBondContact O-N 3.13Å; K94-R96 VanDerWaalsContact O-N 3.15Å; R96-S98 PolarHBondContact O-N 2.92Å | ||
| 97 | V | 41.1 | Very low | 49.2 | Very low | 132 Ų | 132 | 146.1 Ų | 146.1 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | -58.2 | 115.8 | 166.1 | 177 | 0 | 0 | 0 | 0 | 107.4 | S99 | V97-S99 PolarHBondContact O-N 3.33Š| ||
| 98 | S | 43.2 | Very low | 50.2 | Low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -99.4 | 64.2 | -176.6 | 57.7 | 0 | 0 | 0 | 0 | 111 | R96 F100 | R96-S98 PolarHBondContact O-N 2.92Å; S98-F100 PolarHBondContact O-N 3.23Å | ||
| 99 | S | 52.7 | Low | 51.2 | Low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | trans | -82 | 103 | 166.8 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | V97 | V97-S99 PolarHBondContact O-N 3.33Š| ||
| 100 | F | 44.5 | Very low | 52.3 | Low | 182 Ų | 182 | 140.9 Ų | 140.9 | 80% | 0.798 | 72% | 0.716 | S | S | * | * | trans | 174.9 | 89.8 | 135.7 | -95.6 | -71.4 | 0 | 0 | 0 | 108.6 | S98 | S98-F100 PolarHBondContact O-N 3.23Š| ||
| 101 | R | 48 | Very low | 53.6 | Low | 260 Ų | 260 | 139.5 Ų | 139.5 | 98% | 0.981 | 70% | 0.701 | S | S | * | * | trans | -103.8 | 58.2 | 178.3 | -165.9 | -177.7 | -170.7 | -132.8 | 4.1 | 109 | ||||
| 102 | G | 48.5 | Very low | 55.1 | Low | 54 Ų | 54 | 135.4 Ų | 135.4 | 56% | 0.557 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -115 | -58.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 103 | N | 54.5 | Low | 56.9 | Low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -112.5 | 12.3 | -165.3 | -79.7 | 5 | 0 | 0 | 0 | 116.1 | I105 | N103-I105 PolarHBondContact O-N 3.46Š|
| 104 | K | 55.6 | Low | 58.4 | Low | 144 Ų | 144 | 135.3 Ų | 135.3 | 63% | 0.626 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.7 | -20.9 | -174.5 | -68.4 | -178 | -175.6 | 174.5 | 0 | 114.1 | K108 | K104-K108 WeakPolarHBondContact O-CB 3.33Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.45Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.33Å |
| 105 | I | 57.7 | Low | 60.6 | Low | 128 Ų | 128 | 134.2 Ų | 134.2 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -78.7 | -55 | -176.7 | -60.8 | 170.4 | 0 | 0 | 0 | 109.4 | N103 L107 K108 D109 | N103-I105 PolarHBondContact O-N 3.46Å; I105-L107 PolarHBondContact O-N 2.97Å; I105-K108 PolarHBondContact O-N 3.44Å; I105-K108 VanDerWaalsContact O-N 3.15Å; I105-D109 PolarHBondContact O-N 2.92Å; I105-D109 VanDerWaalsContact O-N 3.08Å |
| 106 | V | 56.7 | Low | 62.4 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -59.7 | -43.2 | -179.1 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | K108 D109 V110 | V106-K108 PolarHBondContact O-N 2.85Å; V106-D109 PolarHBondContact O-N 3.11Å; V106-V110 HydrophobicContact CG1-CG2 4.5Å; V106-V110 VanDerWaalsContact O-CG2 3.3Å; V106-V110 WeakPolarHBondContact O-CG2 3.29Å; V106-V110 PolarHBondContact O-N 3.32Å |
| 107 | L | 68.6 | Low | 64.4 | Low | 108 Ų | 108 | 121.4 Ų | 121.4 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.6 | -37.6 | 179.3 | -176.7 | 63.1 | 0 | 0 | 0 | 112.2 | I105 D109 I111 | I105-L107 PolarHBondContact O-N 2.97Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.33Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.49Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.1Å; L107-I111 WeakPolarHBondContact O-CG1 2.88Å; L107-I111 PolarHBondContact O-N 3.47Å |
| 108 | K | 67.3 | Low | 66.3 | Low | 134 Ų | 134 | 118.3 Ų | 118.3 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 175.9 | -78.8 | 175.7 | -176 | -175.7 | 0 | 110.9 | K104 I105 V106 I111 T112 | K104-K108 WeakPolarHBondContact O-CB 3.33Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.45Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.33Å; I105-K108 PolarHBondContact O-N 3.44Å; I105-K108 VanDerWaalsContact O-N 3.15Å; V106-K108 PolarHBondContact O-N 2.85Å; K108-I111 PolarHBondContact O-N 3.12Å; K108-T112 WeakPolarHBondContact O-CB 3.47Å; K108-T112 PolarHBondContact O-N 3.18Å; K108-T112 PolarHBondContact O-OG1 3.31Å |
| 109 | D | 71.1 | Confident | 68.5 | Low | 99 Ų | 99 | 116.7 Ų | 116.7 | 53% | 0.529 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.5 | -41.1 | -179.9 | -65.2 | -24.7 | 0 | 0 | 0 | 111.6 | I105 V106 L107 I111 T112 L113 | I105-D109 PolarHBondContact O-N 2.92Å; I105-D109 VanDerWaalsContact O-N 3.08Å; V106-D109 PolarHBondContact O-N 3.11Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-I111 PolarHBondContact O-N 3.05Å; D109-T112 PolarHBondContact O-N 3.35Å; D109-L113 VanDerWaalsContact O-CB 3.27Å; D109-L113 WeakPolarHBondContact O-CB 3.27Å; D109-L113 PolarHBondContact O-N 2.67Å |
| 110 | V | 71.4 | Confident | 70.2 | Confident | 85 Ų | 85 | 118.3 Ų | 118.3 | 52% | 0.515 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.8 | -42.5 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | V106 T112 R114 | V106-V110 HydrophobicContact CG1-CG2 4.5Å; V106-V110 VanDerWaalsContact O-CG2 3.3Å; V106-V110 WeakPolarHBondContact O-CG2 3.29Å; V106-V110 PolarHBondContact O-N 3.32Å; V110-T112 VanDerWaalsContact C-N 3.34Å; V110-R114 WeakPolarHBondContact O-CB 3.31Å; V110-R114 PolarHBondContact O-N 3.4Å |
| 111 | I | 77.5 | Confident | 72.3 | Confident | 72 Ų | 72 | 113 Ų | 113 | 37% | 0.369 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.1 | -39.6 | 177.1 | -68.1 | 167 | 0 | 0 | 0 | 110.8 | L107 K108 D109 R114 R115 | L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.33Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.49Å; L107-I111 WeakPolarHBondContact O-CB 3.31Å; L107-I111 WeakPolarHBondContact O-CD1 3.1Å; L107-I111 WeakPolarHBondContact O-CG1 2.88Å; L107-I111 PolarHBondContact O-N 3.47Å; K108-I111 PolarHBondContact O-N 3.12Å; D109-I111 PolarHBondContact O-N 3.05Å; I111-R114 PolarHBondContact O-N 2.85Å; I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 VanDerWaalsContact O-CG 3.32Å; I111-R115 WeakPolarHBondContact O-CG 3.23Å; I111-R115 PolarHBondContact O-N 3.27Å |
| 112 | T | 80.8 | Confident | 74 | Confident | 87 Ų | 87 | 107.8 Ų | 107.8 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 179.6 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | K108 D109 V110 R115 H116 | K108-T112 WeakPolarHBondContact O-CB 3.47Å; K108-T112 PolarHBondContact O-N 3.18Å; K108-T112 PolarHBondContact O-OG1 3.31Å; D109-T112 PolarHBondContact O-N 3.35Å; V110-T112 VanDerWaalsContact C-N 3.34Å; T112-R115 PolarHBondContact O-N 2.82Å; T112-H116 WeakPolarHBondContact O-CB 3.06Å; T112-H116 PolarHBondContact O-N 3.14Å |
| 113 | L | 78.3 | Confident | 75.7 | Confident | 113 Ų | 113 | 107.4 Ų | 107.4 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 175.5 | -172.7 | 65.1 | 0 | 0 | 0 | 111.4 | D109 R115 H116 V117 | D109-L113 VanDerWaalsContact O-CB 3.27Å; D109-L113 WeakPolarHBondContact O-CB 3.27Å; D109-L113 PolarHBondContact O-N 2.67Å; L113-R115 PolarHBondContact O-N 3.47Å; L113-H116 PolarHBondContact O-N 3.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 3.26Å |
| 114 | R | 84.1 | Confident | 77.1 | Confident | 170 Ų | 170 | 108.5 Ų | 108.5 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.8 | -47.7 | 174.8 | -179.1 | -178.1 | 168.4 | -171.9 | 0.6 | 111.4 | V110 I111 H116 V117 E118 | V110-R114 WeakPolarHBondContact O-CB 3.31Å; V110-R114 PolarHBondContact O-N 3.4Å; I111-R114 PolarHBondContact O-N 2.85Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.4Å; R114-V117 PolarHBondContact O-N 3.14Å; R114-E118 IonicContact CZ-OE1 3.17Å; R114-E118 IonicContact NE-OE1 2.78Å; R114-E118 PolarHBondContact NE-OE1 3.47Å; R114-E118 IonicContact NH2-OE1 3.63Å; R114-E118 PolarHBondContact NH2-OE1 3.38Å; R114-E118 WeakPolarHBondContact O-CB 3.37Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.81Å |
| 115 | R | 82.8 | Confident | 78.3 | Confident | 173 Ų | 173 | 106.6 Ų | 106.6 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 177.8 | -75.8 | 176.4 | 177.5 | -177.3 | 0.3 | 111.9 | I111 T112 L113 E118 T119 | I111-R115 WeakPolarHBondContact O-CB 3.45Å; I111-R115 VanDerWaalsContact O-CG 3.32Å; I111-R115 WeakPolarHBondContact O-CG 3.23Å; I111-R115 PolarHBondContact O-N 3.27Å; T112-R115 PolarHBondContact O-N 2.82Å; L113-R115 PolarHBondContact O-N 3.47Å; R115-E118 PolarHBondContact O-N 3.39Å; R115-T119 WeakPolarHBondContact O-CG2 3.42Å; R115-T119 PolarHBondContact O-N 2.86Å; R115-T119 PolarHBondContact O-OG1 3.28Å |
| 116 | H | 82.6 | Confident | 79.3 | Confident | 90 Ų | 90 | 109.4 Ų | 109.4 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 178.5 | 174.5 | -103.2 | 0 | 0 | 0 | 112.8 | T112 L113 R114 T119 K120 | T112-H116 WeakPolarHBondContact O-CB 3.06Å; T112-H116 PolarHBondContact O-N 3.14Å; L113-H116 PolarHBondContact O-N 3.46Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.4Å; H116-T119 PolarHBondContact O-OG1 2.93Å; H116-K120 VanDerWaalsContact CE1-CE 3.4Å; H116-K120 WeakPolarHBondContact CE1-CE 3.29Å; H116-K120 VanDerWaalsContact NE2-CE 3.31Å; H116-K120 WeakPolarHBondContact NE2-CE 3.34Å; H116-K120 PolarHBondContact O-N 3.14Å; H116-K120 VanDerWaalsContact O-N 3.1Å |
| 117 | V | 85.6 | Confident | 80.3 | Confident | 75 Ų | 75 | 112.1 Ų | 112.1 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 174.4 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | L113 R114 T119 K120 V121 | L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 3.26Å; R114-V117 PolarHBondContact O-N 3.14Å; V117-T119 PolarHBondContact O-N 3.47Å; V117-K120 PolarHBondContact O-N 3.15Å; V117-V121 HydrophobicContact CG1-CG2 4.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.28Å; V117-V121 PolarHBondContact O-N 2.86Å |
| 118 | E | 81.5 | Confident | 80.5 | Confident | 67 Ų | 67 | 116.2 Ų | 116.2 | 31% | 0.313 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.3 | -77.8 | -175.8 | -167.4 | 0 | 0 | 112.2 | R114 R115 V121 R122 | R114-E118 IonicContact CZ-OE1 3.17Å; R114-E118 IonicContact NE-OE1 2.78Å; R114-E118 PolarHBondContact NE-OE1 3.47Å; R114-E118 IonicContact NH2-OE1 3.63Å; R114-E118 PolarHBondContact NH2-OE1 3.38Å; R114-E118 WeakPolarHBondContact O-CB 3.37Å; R114-E118 WeakPolarHBondContact O-CG 3.42Å; R114-E118 PolarHBondContact O-N 2.81Å; R115-E118 PolarHBondContact O-N 3.39Å; E118-V121 PolarHBondContact O-N 2.96Å; E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 2.88Å; E118-R122 IonicContact OE2-NH2 3.18Å |
| 119 | T | 88.6 | Confident | 80.6 | Confident | 83 Ų | 83 | 117.4 Ų | 117.4 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.4 | -41.2 | 176.4 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | R115 H116 V117 R122 A123 | R115-T119 WeakPolarHBondContact O-CG2 3.42Å; R115-T119 PolarHBondContact O-N 2.86Å; R115-T119 PolarHBondContact O-OG1 3.28Å; H116-T119 PolarHBondContact O-OG1 2.93Å; V117-T119 PolarHBondContact O-N 3.47Å; T119-R122 PolarHBondContact O-N 3.38Å; T119-A123 VanDerWaalsContact O-CB 3.3Å; T119-A123 WeakPolarHBondContact O-CB 3.39Å; T119-A123 PolarHBondContact O-N 3.05Å |
| 120 | K | 87.8 | Confident | 80.5 | Confident | 123 Ų | 123 | 116.8 Ų | 116.8 | 54% | 0.535 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 174.4 | -81.3 | -168.1 | 173.5 | -179.3 | 0 | 112.3 | H116 V117 A123 K124 | H116-K120 VanDerWaalsContact CE1-CE 3.4Å; H116-K120 WeakPolarHBondContact CE1-CE 3.29Å; H116-K120 VanDerWaalsContact NE2-CE 3.31Å; H116-K120 WeakPolarHBondContact NE2-CE 3.34Å; H116-K120 PolarHBondContact O-N 3.14Å; H116-K120 VanDerWaalsContact O-N 3.1Å; V117-K120 PolarHBondContact O-N 3.15Å; K120-A123 PolarHBondContact O-N 3.46Å; K120-K124 WeakPolarHBondContact O-CG 3.43Å; K120-K124 PolarHBondContact O-N 3.43Å |
| 121 | V | 88.8 | Confident | 79.9 | Confident | 72 Ų | 72 | 116.1 Ų | 116.1 | 44% | 0.436 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | V117 E118 A123 K124 I125 | V117-V121 HydrophobicContact CG1-CG2 4.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.28Å; V117-V121 PolarHBondContact O-N 2.86Å; E118-V121 PolarHBondContact O-N 2.96Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.46Å; V121-K124 PolarHBondContact O-N 2.96Å; V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.36Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.42Å; V121-I125 PolarHBondContact O-N 3.45Å |
| 122 | R | 83.6 | Confident | 79.1 | Confident | 150 Ų | 150 | 116.8 Ų | 116.8 | 57% | 0.566 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61 | -40.2 | 175.7 | -73.7 | 175.2 | -173.2 | -160 | 4.6 | 112.2 | E118 T119 I125 R126 | E118-R122 WeakPolarHBondContact O-CB 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.25Å; E118-R122 PolarHBondContact O-N 2.88Å; E118-R122 IonicContact OE2-NH2 3.18Å; T119-R122 PolarHBondContact O-N 3.38Å; R122-I125 PolarHBondContact O-N 2.84Å; R122-R126 WeakPolarHBondContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CG 3.31Å; R122-R126 PolarHBondContact O-N 3.32Å |
| 123 | A | 84.7 | Confident | 78 | Confident | 46 Ų | 46 | 119.4 Ų | 119.4 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -42.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T119 K120 V121 R126 K127 | T119-A123 VanDerWaalsContact O-CB 3.3Å; T119-A123 WeakPolarHBondContact O-CB 3.39Å; T119-A123 PolarHBondContact O-N 3.05Å; K120-A123 PolarHBondContact O-N 3.46Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.46Å; A123-R126 PolarHBondContact O-N 3.4Å; A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.38Å |
| 124 | K | 83.4 | Confident | 77 | Confident | 160 Ų | 160 | 119.3 Ų | 119.3 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 173.4 | -77.5 | -177.7 | 177.3 | -175.9 | 0 | 112.2 | K120 V121 K127 R128 | K120-K124 WeakPolarHBondContact O-CG 3.43Å; K120-K124 PolarHBondContact O-N 3.43Å; V121-K124 PolarHBondContact O-N 2.96Å; K124-K127 PolarHBondContact O-N 3.24Å; K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.45Å; K124-R128 PolarHBondContact O-N 2.86Å |
| 125 | I | 81.3 | Confident | 75.6 | Confident | 104 Ų | 104 | 116.8 Ų | 116.8 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -44.7 | 176.1 | -68.2 | 167.5 | 0 | 0 | 0 | 110.6 | V121 R122 R128 K129 | V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.36Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.42Å; V121-I125 PolarHBondContact O-N 3.45Å; R122-I125 PolarHBondContact O-N 2.84Å; I125-R128 PolarHBondContact O-N 2.96Å; I125-K129 VanDerWaalsContact O-CB 3.29Å; I125-K129 WeakPolarHBondContact O-CB 3.37Å; I125-K129 PolarHBondContact O-N 2.9Å |
| 126 | R | 79.1 | Confident | 74.3 | Confident | 186 Ų | 186 | 114.4 Ų | 114.4 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 175.7 | -75.6 | 177.9 | -179.7 | -179 | -0.9 | 111.5 | R122 A123 R128 K129 V130 | R122-R126 WeakPolarHBondContact O-CB 3.31Å; R122-R126 WeakPolarHBondContact O-CG 3.31Å; R122-R126 PolarHBondContact O-N 3.32Å; A123-R126 PolarHBondContact O-N 3.4Å; R126-R128 PolarHBondContact O-N 3.37Å; R126-K129 PolarHBondContact O-N 3.45Å; R126-V130 WeakPolarHBondContact O-CB 3.28Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 2.91Å |
| 127 | K | 77 | Confident | 72.9 | Confident | 157 Ų | 157 | 117 Ų | 117 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -57.7 | -48.2 | 174.9 | -76.5 | -174 | 178.4 | -169.6 | 0 | 111.2 | A123 K124 K129 V130 T131 | A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.38Å; K124-K127 PolarHBondContact O-N 3.24Å; K127-K129 PolarHBondContact O-N 3.06Å; K127-V130 PolarHBondContact O-N 3.46Å; K127-T131 WeakPolarHBondContact O-CG2 3.22Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 3.18Å; K127-T131 VanDerWaalsContact O-OG1 3.14Å |
| 128 | R | 72.8 | Confident | 71.3 | Confident | 194 Ų | 194 | 119 Ų | 119 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.4 | -43 | 177.4 | -166.4 | 177.1 | -175.6 | -160.1 | 1.1 | 112.1 | K124 I125 R126 T131 T132 | K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.45Å; K124-R128 PolarHBondContact O-N 2.86Å; I125-R128 PolarHBondContact O-N 2.96Å; R126-R128 PolarHBondContact O-N 3.37Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.48Å; R128-T131 PolarHBondContact O-N 3.37Å; R128-T131 PolarHBondContact O-OG1 3.14Å; R128-T132 WeakPolarHBondContact O-CB 3.48Å; R128-T132 PolarHBondContact O-N 3.5Å; R128-T132 PolarHBondContact O-OG1 3.33Å |
| 129 | K | 70.7 | Confident | 70.1 | Confident | 160 Ų | 160 | 123.6 Ų | 123.6 | 70% | 0.696 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.6 | -39.8 | 177.4 | -166.8 | 175.8 | -175.9 | 179.4 | 0 | 111.7 | I125 R126 K127 T132 K133 | I125-K129 VanDerWaalsContact O-CB 3.29Å; I125-K129 WeakPolarHBondContact O-CB 3.37Å; I125-K129 PolarHBondContact O-N 2.9Å; R126-K129 PolarHBondContact O-N 3.45Å; K127-K129 PolarHBondContact O-N 3.06Å; K129-T132 PolarHBondContact O-N 3.1Å; K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 PolarHBondContact O-N 3.49Å |
| 130 | V | 68 | Low | 68.5 | Low | 85 Ų | 85 | 126.7 Ų | 126.7 | 52% | 0.515 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.6 | -46.6 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | R126 K127 T132 K133 I134 | R126-V130 WeakPolarHBondContact O-CB 3.28Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.46Å; R126-V130 PolarHBondContact O-N 2.91Å; K127-V130 PolarHBondContact O-N 3.46Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 3.05Å; V130-K133 PolarHBondContact O-N 3.12Å; V130-K133 VanDerWaalsContact O-N 3.14Å; V130-I134 HydrophobicContact CG1-CD1 3.75Å; V130-I134 HydrophobicContact CG1-CG1 4.4Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.4Å; V130-I134 PolarHBondContact O-N 3.2Å |
| 131 | T | 59.3 | Low | 66.8 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 44% | 0.442 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.9 | -36.9 | 176.6 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | K127 R128 K133 I134 N135 | K127-T131 WeakPolarHBondContact O-CG2 3.22Å; K127-T131 PolarHBondContact O-N 2.88Å; K127-T131 PolarHBondContact O-OG1 3.18Å; K127-T131 VanDerWaalsContact O-OG1 3.14Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.48Å; R128-T131 PolarHBondContact O-N 3.37Å; R128-T131 PolarHBondContact O-OG1 3.14Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-I134 PolarHBondContact O-N 3.19Å; T131-N135 WeakPolarHBondContact O-CB 3.46Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.94Å |
| 132 | T | 60.8 | Low | 65.1 | Low | 85 Ų | 85 | 125.3 Ų | 125.3 | 52% | 0.521 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.8 | -35.5 | 173.9 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | R128 K129 V130 N135 H136 | R128-T132 WeakPolarHBondContact O-CB 3.48Å; R128-T132 PolarHBondContact O-N 3.5Å; R128-T132 PolarHBondContact O-OG1 3.33Å; K129-T132 PolarHBondContact O-N 3.1Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 3.05Å; T132-N135 PolarHBondContact O-N 3.39Å; T132-H136 PolarHBondContact O-N 3.44Å; T132-H136 VanDerWaalsContact O-N 3.15Å |
| 133 | K | 57.2 | Low | 63.6 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 62% | 0.622 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.9 | -38.7 | 176.3 | -158 | -177 | 179.2 | -170.8 | 0 | 111.9 | K129 V130 T131 N135 H136 H137 | K129-K133 WeakPolarHBondContact O-CB 3.38Å; K129-K133 PolarHBondContact O-N 3.49Å; V130-K133 PolarHBondContact O-N 3.12Å; V130-K133 VanDerWaalsContact O-N 3.14Å; T131-K133 VanDerWaalsContact C-N 3.32Å; K133-N135 VanDerWaalsContact C-N 3.33Å; K133-H136 PolarHBondContact O-N 3.44Å; K133-H137 PolarHBondContact O-N 3.2Å |
| 134 | I | 57.1 | Low | 62.1 | Low | 110 Ų | 110 | 134 Ų | 134 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.1 | -44.3 | 171.6 | -67.7 | 165.2 | 0 | 0 | 0 | 109.8 | V130 T131 H136 H137 | V130-I134 HydrophobicContact CG1-CD1 3.75Å; V130-I134 HydrophobicContact CG1-CG1 4.4Å; V130-I134 VanDerWaalsContact O-CG1 3.28Å; V130-I134 WeakPolarHBondContact O-CG1 3.4Å; V130-I134 PolarHBondContact O-N 3.2Å; T131-I134 PolarHBondContact O-N 3.19Å; I134-H136 PolarHBondContact O-N 3.07Å; I134-H137 PolarHBondContact O-N 3.37Å |
| 135 | N | 55.1 | Low | 60.7 | Low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -15.2 | 174 | -75.6 | -25.9 | 0 | 0 | 0 | 114.4 | T131 T132 K133 | T131-N135 WeakPolarHBondContact O-CB 3.46Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.94Å; T132-N135 PolarHBondContact O-N 3.39Å; K133-N135 VanDerWaalsContact C-N 3.33Å |
| 136 | H | 55.8 | Low | 59.7 | Low | 124 Ų | 124 | 130.9 Ų | 130.9 | 57% | 0.574 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -21 | 176 | -161.7 | 7.5 | 0 | 0 | 0 | 112.9 | T132 K133 I134 D138 | T132-H136 PolarHBondContact O-N 3.44Å; T132-H136 VanDerWaalsContact O-N 3.15Å; K133-H136 PolarHBondContact O-N 3.44Å; I134-H136 PolarHBondContact O-N 3.07Å; H136-D138 VanDerWaalsContact C-N 3.3Å; H136-D138 PolarHBondContact O-N 2.88Å |
| 137 | H | 52.4 | Low | 59.1 | Low | 145 Ų | 145 | 124 Ų | 124 | 67% | 0.671 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -80.4 | -4.6 | 175.8 | -84.7 | -79.7 | 0 | 0 | 0 | 114.1 | K133 I134 K139 | K133-H137 PolarHBondContact O-N 3.2Å; I134-H137 PolarHBondContact O-N 3.37Å; H137-K139 PolarHBondContact O-N 3.37Å |
| 138 | D | 52.6 | Low | 58.9 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | trans | -77.5 | 53.4 | 167.2 | -83.7 | -9.9 | 0 | 0 | 0 | 112.7 | H136 | H136-D138 VanDerWaalsContact C-N 3.3Å; H136-D138 PolarHBondContact O-N 2.88Å | ||
| 139 | K | 55.3 | Low | 59.1 | Low | 164 Ų | 164 | 123.2 Ų | 123.2 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | trans | -99.5 | 36.9 | 168 | -92.4 | -170.9 | 174 | 179.8 | 0 | 112.1 | H137 | H137-K139 PolarHBondContact O-N 3.37Š| ||
| 140 | I | 55 | Low | 59.3 | Low | 148 Ų | 148 | 121.7 Ų | 121.7 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | trans | -134.3 | 85 | 158.4 | -62.5 | 95.9 | 0 | 0 | 0 | 109.8 | ||||
| 141 | N | 53.5 | Low | 60.2 | Low | 103 Ų | 103 | 124.2 Ų | 124.2 | 55% | 0.551 | 61% | 0.607 | S | S | * | * | trans | -175.1 | 61.6 | 143 | -97 | -32.2 | 0 | 0 | 0 | 109.2 | K143 R144 K145 | N141-K143 PolarHBondContact O-N 3.46Å; N141-K143 VanDerWaalsContact O-N 3.13Å; N141-R144 HydrophobicContact CB-CB 4.3Å; N141-R144 PolarHBondContact O-N 3.13Å; N141-R144 VanDerWaalsContact O-N 3.13Å; N141-K145 PolarHBondContact O-N 3.31Å | ||
| 142 | G | 51.4 | Low | 61.5 | Low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -53.2 | -30.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | S146 | G142-S146 PolarHBondContact O-N 2.85Å; G142-S146 PolarHBondContact O-OG 3.44Å |
| 143 | K | 52.9 | Low | 62.7 | Low | 181 Ų | 181 | 128.1 Ų | 128.1 | 79% | 0.787 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.6 | -33.9 | 178.1 | -66.4 | -174 | 178.7 | -177.8 | 0 | 114.4 | N141 S146 A147 | N141-K143 PolarHBondContact O-N 3.46Å; N141-K143 VanDerWaalsContact O-N 3.13Å; K143-S146 PolarHBondContact O-OG 2.9Å; K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 3Å |
| 144 | R | 52.8 | Low | 64.1 | Low | 198 Ų | 198 | 127 Ų | 127 | 75% | 0.747 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -80.5 | -32.8 | -178.4 | -156 | 174.8 | -170.8 | 165.3 | 2.5 | 112 | N141 R148 | N141-R144 HydrophobicContact CB-CB 4.3Å; N141-R144 PolarHBondContact O-N 3.13Å; N141-R144 VanDerWaalsContact O-N 3.13Å; R144-R148 WeakPolarHBondContact O-CB 3.49Å; R144-R148 PolarHBondContact O-N 3.47Å |
| 145 | K | 53.8 | Low | 65.7 | Low | 139 Ų | 139 | 130.9 Ų | 130.9 | 60% | 0.604 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.7 | -37.4 | 175.6 | -70.7 | -178.3 | -179 | 170.9 | 0 | 111.8 | N141 K149 | N141-K145 PolarHBondContact O-N 3.31Å; K145-K149 WeakPolarHBondContact O-CB 3.41Å; K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.36Å; K145-K149 PolarHBondContact O-N 3.06Å |
| 146 | S | 60.8 | Low | 67.2 | Low | 59 Ų | 59 | 128 Ų | 128 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.5 | -45.1 | 173.2 | 58.3 | 0 | 0 | 0 | 0 | 111.9 | G142 K143 R148 K149 Q150 | G142-S146 PolarHBondContact O-N 2.85Å; G142-S146 PolarHBondContact O-OG 3.44Å; K143-S146 PolarHBondContact O-OG 2.9Å; S146-R148 PolarHBondContact O-N 2.95Å; S146-K149 PolarHBondContact O-N 3.44Å; S146-Q150 WeakPolarHBondContact O-CB 3.31Å; S146-Q150 PolarHBondContact O-N 3.44Å |
| 147 | A | 67.8 | Low | 68.8 | Low | 42 Ų | 42 | 126.3 Ų | 126.3 | 35% | 0.347 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62.2 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K143 Q150 K151 | K143-A147 WeakPolarHBondContact O-CB 3.36Å; K143-A147 PolarHBondContact O-N 3Å; A147-Q150 PolarHBondContact O-N 3.44Å; A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 WeakPolarHBondContact O-CG 3.33Å; A147-K151 PolarHBondContact O-N 3.24Å |
| 148 | R | 72.8 | Confident | 70.7 | Confident | 186 Ų | 186 | 124.3 Ų | 124.3 | 70% | 0.702 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.8 | -38.3 | 176.1 | -167.6 | 177.3 | -179.4 | 176.8 | -1.2 | 111.9 | R144 S146 K151 M152 | R144-R148 WeakPolarHBondContact O-CB 3.49Å; R144-R148 PolarHBondContact O-N 3.47Å; S146-R148 PolarHBondContact O-N 2.95Å; R148-K151 PolarHBondContact O-N 3.48Å; R148-M152 HydrophobicContact CG-CE 4.28Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 2.89Å |
| 149 | K | 75.4 | Confident | 72.5 | Confident | 147 Ų | 147 | 124.3 Ų | 124.3 | 64% | 0.639 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.8 | -43.7 | 174.2 | -80 | -176.8 | 175.3 | -170.7 | 0 | 112 | K145 S146 K151 M152 F153 | K145-K149 WeakPolarHBondContact O-CB 3.41Å; K145-K149 VanDerWaalsContact O-CG 3.31Å; K145-K149 WeakPolarHBondContact O-CG 3.36Å; K145-K149 PolarHBondContact O-N 3.06Å; S146-K149 PolarHBondContact O-N 3.44Å; K149-K151 PolarHBondContact O-N 3.13Å; K149-M152 HydrophobicContact CG-CE 4.33Å; K149-M152 PolarHBondContact O-N 3.23Å; K149-F153 WeakPolarHBondContact O-CB 3.37Å; K149-F153 PolarHBondContact O-N 2.82Å |
| 150 | Q | 75.4 | Confident | 73.9 | Confident | 128 Ų | 128 | 124.7 Ų | 124.7 | 60% | 0.598 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.5 | -43.7 | 174 | -85.2 | 177.1 | -23.9 | 0 | 0 | 111.8 | S146 A147 M152 F153 Q154 | S146-Q150 WeakPolarHBondContact O-CB 3.31Å; S146-Q150 PolarHBondContact O-N 3.44Å; A147-Q150 PolarHBondContact O-N 3.44Å; Q150-M152 PolarHBondContact O-N 2.87Å; Q150-F153 PolarHBondContact O-N 3.49Å; Q150-Q154 WeakPolarHBondContact O-CB 3.42Å; Q150-Q154 WeakPolarHBondContact O-CG 3.36Å; Q150-Q154 PolarHBondContact O-N 3.24Å |
| 151 | K | 86.3 | Confident | 75.3 | Confident | 139 Ų | 139 | 125.7 Ų | 125.7 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.2 | -39.2 | 174.8 | -75.6 | -177.2 | -179.8 | -171.8 | 0 | 112.9 | A147 R148 K149 R155 | A147-K151 WeakPolarHBondContact O-CB 3.49Å; A147-K151 WeakPolarHBondContact O-CG 3.33Å; A147-K151 PolarHBondContact O-N 3.24Å; R148-K151 PolarHBondContact O-N 3.48Å; K149-K151 PolarHBondContact O-N 3.13Å; K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.35Å; K151-R155 PolarHBondContact O-N 3.26Å |
| 152 | M | 88.2 | Confident | 76.9 | Confident | 108 Ų | 108 | 128.1 Ų | 128.1 | 53% | 0.532 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -38.8 | 174.9 | -74.2 | -173.5 | -65.5 | 0 | 0 | 111.9 | R148 K149 Q150 R155 A156 | R148-M152 HydrophobicContact CG-CE 4.28Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 2.89Å; K149-M152 HydrophobicContact CG-CE 4.33Å; K149-M152 PolarHBondContact O-N 3.23Å; Q150-M152 PolarHBondContact O-N 2.87Å; M152-R155 PolarHBondContact O-N 3.42Å; M152-A156 WeakPolarHBondContact O-CB 3.33Å; M152-A156 PolarHBondContact O-N 3.21Å |
| 153 | F | 84.3 | Confident | 78.3 | Confident | 130 Ų | 130 | 128 Ų | 128 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66 | -44.3 | 176.4 | -172.6 | -103.5 | 0 | 0 | 0 | 112.1 | K149 Q150 A156 Q157 | K149-F153 WeakPolarHBondContact O-CB 3.37Å; K149-F153 PolarHBondContact O-N 2.82Å; Q150-F153 PolarHBondContact O-N 3.49Å; F153-A156 PolarHBondContact O-N 3Å; F153-Q157 HydrophobicContact CD1-CG 4.48Å; F153-Q157 HydrophobicContact CE1-CG 4.22Å; F153-Q157 HydrophobicContact CZ-CG 4.46Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 2.77Å |
| 154 | Q | 86.8 | Confident | 79.6 | Confident | 121 Ų | 121 | 123.5 Ų | 123.5 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.2 | -45.4 | 173.2 | -75 | 175.3 | -16.1 | 0 | 0 | 111.6 | Q150 A156 Q157 E158 | Q150-Q154 WeakPolarHBondContact O-CB 3.42Å; Q150-Q154 WeakPolarHBondContact O-CG 3.36Å; Q150-Q154 PolarHBondContact O-N 3.24Å; Q154-A156 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 3.16Å; Q154-Q157 PolarHBondContact O-N 3.04Å; Q154-E158 PolarHBondContact O-N 3.37Å |
| 155 | R | 90.4 | Very high | 81 | Confident | 190 Ų | 190 | 117.8 Ų | 117.8 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62 | -39.9 | 175.2 | -79.1 | -177.2 | 179 | -167.2 | -1.6 | 112.8 | K151 M152 E158 L159 | K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.35Å; K151-R155 PolarHBondContact O-N 3.26Å; M152-R155 PolarHBondContact O-N 3.42Å; R155-E158 PolarHBondContact O-N 3.04Å; R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.42Å; R155-L159 PolarHBondContact O-N 3.19Å |
| 156 | A | 88.6 | Confident | 81.9 | Confident | 56 Ų | 56 | 118 Ų | 118 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M152 F153 Q154 R160 | M152-A156 WeakPolarHBondContact O-CB 3.33Å; M152-A156 PolarHBondContact O-N 3.21Å; F153-A156 PolarHBondContact O-N 3Å; Q154-A156 VanDerWaalsContact C-N 3.35Å; Q154-A156 PolarHBondContact O-N 3.16Å; A156-R160 WeakPolarHBondContact O-CB 3.16Å; A156-R160 PolarHBondContact O-N 2.91Å |
| 157 | Q | 89.4 | Confident | 82.3 | Confident | 90 Ų | 90 | 120.4 Ų | 120.4 | 42% | 0.421 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 173.6 | -76 | -173.2 | -23.7 | 0 | 0 | 112.3 | F153 Q154 R160 R161 | F153-Q157 HydrophobicContact CD1-CG 4.48Å; F153-Q157 HydrophobicContact CE1-CG 4.22Å; F153-Q157 HydrophobicContact CZ-CG 4.46Å; F153-Q157 WeakPolarHBondContact O-CG 3.38Å; F153-Q157 PolarHBondContact O-N 2.77Å; Q154-Q157 PolarHBondContact O-N 3.04Å; Q157-R160 WeakPolarHBondContact O-CB 3.29Å; Q157-R160 PolarHBondContact O-N 3.49Å; Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.43Å |
| 158 | E | 90.7 | Very high | 82.3 | Confident | 103 Ų | 103 | 122.9 Ų | 122.9 | 48% | 0.481 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.3 | -39 | 178.5 | -172.8 | 156.5 | 163.9 | 0 | 0 | 112.7 | Q154 R155 R160 R161 R162 | Q154-E158 PolarHBondContact O-N 3.37Å; R155-E158 PolarHBondContact O-N 3.04Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 2.92Å; E158-R161 PolarHBondContact O-N 3.09Å; E158-R162 WeakPolarHBondContact O-CG 3.01Å; E158-R162 PolarHBondContact O-N 3.25Å; E158-R162 IonicContact OE1-CZ 3.45Å; E158-R162 IonicContact OE1-NE 3.97Å; E158-R162 IonicContact OE1-NH2 3.61Å; E158-R162 PolarHBondContact OE1-NH2 3.45Å |
| 159 | L | 90.3 | Very high | 82.1 | Confident | 116 Ų | 116 | 119.5 Ų | 119.5 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.1 | -39.5 | 170.7 | -73.9 | 171.6 | 0 | 0 | 0 | 111.6 | R155 R162 A163 | R155-L159 WeakPolarHBondContact O-CB 3.47Å; R155-L159 WeakPolarHBondContact O-CG 3.42Å; R155-L159 PolarHBondContact O-N 3.19Å; L159-R162 PolarHBondContact O-N 3.27Å; L159-A163 WeakPolarHBondContact O-CB 3.25Å; L159-A163 PolarHBondContact O-N 3.04Å |
| 160 | R | 85.4 | Confident | 81.9 | Confident | 172 Ų | 172 | 119 Ų | 119 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.1 | -46.2 | 175 | -175.3 | 178.1 | 175.1 | 163.3 | 4.3 | 111.8 | A156 Q157 E158 R162 A163 E164 | A156-R160 WeakPolarHBondContact O-CB 3.16Å; A156-R160 PolarHBondContact O-N 2.91Å; Q157-R160 WeakPolarHBondContact O-CB 3.29Å; Q157-R160 PolarHBondContact O-N 3.49Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 2.92Å; R160-R162 PolarHBondContact O-N 3.13Å; R160-A163 PolarHBondContact O-N 3.06Å; R160-E164 WeakPolarHBondContact CG-OE1 3.43Å; R160-E164 IonicContact NE-OE1 3.57Å; R160-E164 PolarHBondContact NE-OE1 3.34Å; R160-E164 WeakPolarHBondContact O-CG 3.49Å; R160-E164 PolarHBondContact O-N 3.49Å |
| 161 | R | 85.4 | Confident | 81.5 | Confident | 169 Ų | 169 | 114.5 Ų | 114.5 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 175.2 | -73.3 | -179.7 | -178.7 | 178.2 | 0.1 | 111.8 | Q157 E158 A163 E164 D165 | Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.43Å; E158-R161 PolarHBondContact O-N 3.09Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 2.75Å; R161-E164 PolarHBondContact O-N 2.92Å; R161-D165 WeakPolarHBondContact O-CB 3.37Å; R161-D165 VanDerWaalsContact O-CG 3.29Å; R161-D165 PolarHBondContact O-N 3Å |
| 162 | R | 85.4 | Confident | 80.8 | Confident | 153 Ų | 153 | 111.2 Ų | 111.2 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 176.2 | -71.2 | -178.6 | -168.1 | 176.9 | 3.6 | 112.9 | E158 L159 R160 D165 Y166 | E158-R162 WeakPolarHBondContact O-CG 3.01Å; E158-R162 PolarHBondContact O-N 3.25Å; E158-R162 IonicContact OE1-CZ 3.45Å; E158-R162 IonicContact OE1-NE 3.97Å; E158-R162 IonicContact OE1-NH2 3.61Å; E158-R162 PolarHBondContact OE1-NH2 3.45Å; L159-R162 PolarHBondContact O-N 3.27Å; R160-R162 PolarHBondContact O-N 3.13Å; R162-D165 PolarHBondContact O-N 3.11Å; R162-Y166 VanDerWaalsContact O-CB 3.25Å; R162-Y166 WeakPolarHBondContact O-CB 3.47Å; R162-Y166 PolarHBondContact O-N 3.28Å |
| 163 | A | 81.7 | Confident | 79.8 | Confident | 61 Ų | 61 | 111.1 Ų | 111.1 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L159 R160 R161 Y166 H167 | L159-A163 WeakPolarHBondContact O-CB 3.25Å; L159-A163 PolarHBondContact O-N 3.04Å; R160-A163 PolarHBondContact O-N 3.06Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 2.75Å; A163-Y166 PolarHBondContact O-N 2.85Å; A163-H167 WeakPolarHBondContact O-CB 3.42Å; A163-H167 PolarHBondContact O-N 3.35Å |
| 164 | E | 79.4 | Confident | 78.9 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.5 | -73.1 | 172.3 | -165.3 | 0 | 0 | 111.4 | R160 R161 H167 K168 | R160-E164 WeakPolarHBondContact CG-OE1 3.43Å; R160-E164 IonicContact NE-OE1 3.57Å; R160-E164 PolarHBondContact NE-OE1 3.34Å; R160-E164 WeakPolarHBondContact O-CG 3.49Å; R160-E164 PolarHBondContact O-N 3.49Å; R161-E164 PolarHBondContact O-N 2.92Å; E164-H167 PolarHBondContact O-N 2.95Å; E164-K168 VanDerWaalsContact O-CG 3.29Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.93Å |
| 165 | D | 82.3 | Confident | 77.9 | Confident | 78 Ų | 78 | 105.4 Ų | 105.4 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 177.5 | -68.9 | -21.9 | 0 | 0 | 0 | 112 | R161 R162 H167 K168 C169 | R161-D165 WeakPolarHBondContact O-CB 3.37Å; R161-D165 VanDerWaalsContact O-CG 3.29Å; R161-D165 PolarHBondContact O-N 3Å; R162-D165 PolarHBondContact O-N 3.11Å; D165-H167 VanDerWaalsContact C-N 3.34Å; D165-H167 PolarHBondContact O-N 3.25Å; D165-K168 WeakPolarHBondContact O-CB 3.42Å; D165-K168 PolarHBondContact O-N 3.44Å; D165-K168 IonicContact OD1-NZ 3.29Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; D165-C169 WeakPolarHBondContact O-CB 3.42Å; D165-C169 PolarHBondContact O-N 2.93Å; D165-C169 PolarHBondContact O-SG 3.47Å |
| 166 | Y | 73.9 | Confident | 76.8 | Confident | 144 Ų | 144 | 100.9 Ų | 100.9 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 171 | -177.8 | -100.8 | 0 | 0 | 0 | 112 | R162 A163 C169 K170 | R162-Y166 VanDerWaalsContact O-CB 3.25Å; R162-Y166 WeakPolarHBondContact O-CB 3.47Å; R162-Y166 PolarHBondContact O-N 3.28Å; A163-Y166 PolarHBondContact O-N 2.85Å; Y166-C169 PolarHBondContact O-N 3.43Å; Y166-K170 HydrophobicContact CD1-CD 4.25Å; Y166-K170 HydrophobicContact CE1-CD 3.56Å; Y166-K170 HydrophobicContact CE1-CG 4.32Å; Y166-K170 HydrophobicContact CE2-CD 4.37Å; Y166-K170 WeakPolarHBondContact O-CB 3.39Å; Y166-K170 PolarHBondContact O-N 3.41Å; Y166-K170 WeakPolarHBondContact OH-CE 3.46Å; Y166-K170 PolarHBondContact OH-NZ 3.26Å |
| 167 | H | 68.9 | Low | 75.9 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 175.7 | -171 | 72.1 | 0 | 0 | 0 | 111.9 | A163 E164 D165 I171 | A163-H167 WeakPolarHBondContact O-CB 3.42Å; A163-H167 PolarHBondContact O-N 3.35Å; E164-H167 PolarHBondContact O-N 2.95Å; D165-H167 VanDerWaalsContact C-N 3.34Å; D165-H167 PolarHBondContact O-N 3.25Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.38Å; H167-I171 WeakPolarHBondContact O-CG1 3.44Å; H167-I171 PolarHBondContact O-N 2.95Å |
| 168 | K | 66.8 | Low | 74.9 | Confident | 93 Ų | 93 | 104.2 Ų | 104.2 | 40% | 0.404 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 171.5 | -72.9 | 171.8 | -166.8 | 162.4 | 0 | 110.8 | E164 D165 K170 I171 R176 | E164-K168 VanDerWaalsContact O-CG 3.29Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.93Å; D165-K168 WeakPolarHBondContact O-CB 3.42Å; D165-K168 PolarHBondContact O-N 3.44Å; D165-K168 IonicContact OD1-NZ 3.29Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 2.9Å; K168-I171 PolarHBondContact O-N 3.41Å; K168-R176 VanDerWaalsContact CB-NH2 3.33Å; K168-R176 PolarHBondContact O-NH2 3.24Å |
| 169 | C | 69.4 | Low | 73.9 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 78% | 0.777 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.9 | -28.1 | -177.3 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | D165 Y166 | D165-C169 WeakPolarHBondContact O-CB 3.42Å; D165-C169 PolarHBondContact O-N 2.93Å; D165-C169 PolarHBondContact O-SG 3.47Å; Y166-C169 PolarHBondContact O-N 3.43Å |
| 170 | K | 70.8 | Confident | 72.7 | Confident | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -81 | -25.4 | 177 | -88.3 | -163.5 | 163.8 | -176.6 | 0 | 115 | Y166 K168 | Y166-K170 HydrophobicContact CD1-CD 4.25Å; Y166-K170 HydrophobicContact CE1-CD 3.56Å; Y166-K170 HydrophobicContact CE1-CG 4.32Å; Y166-K170 HydrophobicContact CE2-CD 4.37Å; Y166-K170 WeakPolarHBondContact O-CB 3.39Å; Y166-K170 PolarHBondContact O-N 3.41Å; Y166-K170 WeakPolarHBondContact OH-CE 3.46Å; Y166-K170 PolarHBondContact OH-NZ 3.26Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 2.9Å |
| 171 | I | 67.1 | Low | 72.1 | Confident | 34 Ų | 34 | 98 Ų | 98 | 17% | 0.174 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -104.4 | 113.8 | -178.9 | -55.6 | -174.2 | 0 | 0 | 0 | 109.4 | H167 K168 A175 R176 | H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.38Å; H167-I171 WeakPolarHBondContact O-CG1 3.44Å; H167-I171 PolarHBondContact O-N 2.95Å; K168-I171 PolarHBondContact O-N 3.41Å; I171-A175 HydrophobicContact CG2-CB 3.72Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.33Å; I171-R176 VanDerWaalsContact O-NE 3.16Å; I171-R176 PolarHBondContact O-NH2 3.01Å |
| 172 | P | 71.6 | Confident | 71.5 | Confident | 71 Ų | 71 | 98.5 Ų | 98.5 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | trans | -59.1 | 146.2 | 177.7 | 21.6 | -29.1 | 0 | 0 | 0 | 110.2 | S174 A175 R176 | P172-S174 PolarHBondContact O-N 2.9Å; P172-A175 HydrophobicContact CG-CB 3.86Å; P172-A175 PolarHBondContact O-N 2.85Å; P172-R176 PolarHBondContact O-N 3.35Å | ||
| 173 | P | 67 | Low | 70.9 | Confident | 106 Ų | 106 | 95 Ų | 95 | 69% | 0.688 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -52.6 | -33.8 | -175.5 | -27.4 | 33.9 | 0 | 0 | 0 | 114 | R176 K177 | P173-R176 PolarHBondContact O-N 2.89Å; P173-K177 PolarHBondContact O-N 3.26Å |
| 174 | S | 66.3 | Low | 70.3 | Confident | 94 Ų | 94 | 101.2 Ų | 101.2 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -43.2 | 175.7 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | P172 R176 K177 A178 | P172-S174 PolarHBondContact O-N 2.9Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 3.33Å; S174-K177 PolarHBondContact O-N 2.92Å; S174-A178 PolarHBondContact O-N 3.41Å |
| 175 | A | 66.2 | Low | 69.7 | Low | 37 Ų | 37 | 103 Ų | 103 | 31% | 0.306 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.9 | -28.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I171 P172 K177 A178 L179 | I171-A175 HydrophobicContact CG2-CB 3.72Å; P172-A175 HydrophobicContact CG-CB 3.86Å; P172-A175 PolarHBondContact O-N 2.85Å; A175-K177 VanDerWaalsContact C-N 3.35Å; A175-A178 PolarHBondContact O-N 3.17Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 2.87Å |
| 176 | R | 67.3 | Low | 68.8 | Low | 95 Ų | 95 | 101.1 Ų | 101.1 | 36% | 0.358 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 173 | -60.7 | -169.4 | -156.5 | 157.9 | 12.7 | 112.1 | K168 I171 P172 P173 S174 L179 C180 | K168-R176 VanDerWaalsContact CB-NH2 3.33Å; K168-R176 PolarHBondContact O-NH2 3.24Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.33Å; I171-R176 VanDerWaalsContact O-NE 3.16Å; I171-R176 PolarHBondContact O-NH2 3.01Å; P172-R176 PolarHBondContact O-N 3.35Å; P173-R176 PolarHBondContact O-N 2.89Å; S174-R176 VanDerWaalsContact C-N 3.34Å; S174-R176 PolarHBondContact O-N 3.33Å; R176-L179 PolarHBondContact O-N 3.23Å; R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 2.81Å; R176-C180 PolarHBondContact O-SG 2.85Å; R176-C180 VanDerWaalsContact O-SG 3.37Å |
| 177 | K | 68.8 | Low | 68.2 | Low | 154 Ų | 154 | 96.3 Ų | 96.3 | 67% | 0.67 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -41.4 | 178.3 | -162.1 | 175.3 | -176.6 | -178.4 | 0 | 111.2 | P173 S174 A175 N181 | P173-K177 PolarHBondContact O-N 3.26Å; S174-K177 PolarHBondContact O-N 2.92Å; A175-K177 VanDerWaalsContact C-N 3.35Å; K177-N181 WeakPolarHBondContact O-CB 3.38Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.28Å |
| 178 | A | 69.4 | Low | 67.8 | Low | 61 Ų | 61 | 92.5 Ų | 92.5 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S174 A175 N181 W182 | S174-A178 PolarHBondContact O-N 3.41Å; A175-A178 PolarHBondContact O-N 3.17Å; A178-N181 PolarHBondContact O-N 3Å; A178-W182 WeakPolarHBondContact O-CB 3.18Å; A178-W182 PolarHBondContact O-N 2.97Å |
| 179 | L | 68.1 | Low | 67.3 | Low | 94 Ų | 94 | 94.8 Ų | 94.8 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 178.7 | -149.1 | 110 | 0 | 0 | 0 | 112.1 | A175 R176 W182 V183 | A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 PolarHBondContact O-N 2.87Å; R176-L179 PolarHBondContact O-N 3.23Å; L179-W182 PolarHBondContact O-N 2.81Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.94Å |
| 180 | C | 66.6 | Low | 66.5 | Low | 79 Ų | 79 | 96.4 Ų | 96.4 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.1 | -75.7 | 0 | 0 | 0 | 0 | 112.4 | R176 R184 | R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 2.81Å; R176-C180 PolarHBondContact O-SG 2.85Å; R176-C180 VanDerWaalsContact O-SG 3.37Å; C180-R184 WeakPolarHBondContact O-CB 3.38Å; C180-R184 WeakPolarHBondContact O-CG 3.31Å; C180-R184 PolarHBondContact O-N 3.35Å |
| 181 | N | 72.8 | Confident | 65.5 | Low | 87 Ų | 87 | 98.9 Ų | 98.9 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 174.6 | -77.5 | -6.4 | 0 | 0 | 0 | 111.2 | K177 A178 R184 M185 | K177-N181 WeakPolarHBondContact O-CB 3.38Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.28Å; A178-N181 PolarHBondContact O-N 3Å; N181-R184 PolarHBondContact O-N 2.78Å; N181-M185 WeakPolarHBondContact O-CB 3.3Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.46Å; N181-M185 PolarHBondContact O-N 3.48Å |
| 182 | W | 72.5 | Confident | 64.8 | Low | 181 Ų | 181 | 105.3 Ų | 105.3 | 69% | 0.686 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.9 | -44.5 | 176.1 | -177.3 | 74.4 | 0 | 0 | 0 | 112.3 | A178 L179 R184 M185 A186 | A178-W182 WeakPolarHBondContact O-CB 3.18Å; A178-W182 PolarHBondContact O-N 2.97Å; L179-W182 PolarHBondContact O-N 2.81Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 2.94Å; W182-M185 PolarHBondContact O-N 3.16Å; W182-A186 WeakPolarHBondContact O-CB 3.49Å; W182-A186 PolarHBondContact O-N 3.38Å |
| 183 | V | 72.5 | Confident | 64 | Low | 79 Ų | 79 | 107.2 Ų | 107.2 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -38 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L179 A187 | L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.94Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.22Å; V183-A187 PolarHBondContact O-N 3.17Å |
| 184 | R | 69.3 | Low | 63.5 | Low | 192 Ų | 192 | 105 Ų | 105 | 73% | 0.725 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -41.1 | 174.3 | -79.6 | -179.2 | 117.5 | 165.5 | 2.1 | 112.5 | C180 N181 W182 A187 A188 | C180-R184 WeakPolarHBondContact O-CB 3.38Å; C180-R184 WeakPolarHBondContact O-CG 3.31Å; C180-R184 PolarHBondContact O-N 3.35Å; N181-R184 PolarHBondContact O-N 2.78Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 2.94Å; R184-A187 PolarHBondContact O-N 3.29Å; R184-A188 WeakPolarHBondContact O-CB 3.36Å; R184-A188 PolarHBondContact O-N 2.83Å |
| 185 | M | 66.4 | Low | 62.9 | Low | 124 Ų | 124 | 104.1 Ų | 104.1 | 61% | 0.611 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.7 | -47.1 | 176.9 | -74 | -59.7 | -60.5 | 0 | 0 | 111.2 | N181 W182 A187 A188 E189 | N181-M185 WeakPolarHBondContact O-CB 3.3Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.46Å; N181-M185 PolarHBondContact O-N 3.48Å; W182-M185 PolarHBondContact O-N 3.16Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.35Å; M185-A188 CarbonylContact O-C 3.54Å; M185-A188 WeakPolarHBondContact O-CA 3.43Å; M185-A188 WeakPolarHBondContact O-CB 3.36Å; M185-A188 PolarHBondContact O-N 2.82Å; M185-E189 WeakPolarHBondContact O-CB 3.47Å; M185-E189 PolarHBondContact O-N 2.62Å |
| 186 | A | 63.6 | Low | 62.2 | Low | 37 Ų | 37 | 109.1 Ų | 109.1 | 31% | 0.306 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.9 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W182 E189 H190 | W182-A186 WeakPolarHBondContact O-CB 3.49Å; W182-A186 PolarHBondContact O-N 3.38Å; A186-E189 PolarHBondContact O-N 3.25Å; A186-H190 WeakPolarHBondContact O-CB 3.4Å; A186-H190 PolarHBondContact O-N 2.89Å |
| 187 | A | 60.5 | Low | 61.2 | Low | 44 Ų | 44 | 109.5 Ų | 109.5 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -32.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V183 R184 M185 R191 | V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.22Å; V183-A187 PolarHBondContact O-N 3.17Å; R184-A187 PolarHBondContact O-N 3.29Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.35Å; A187-R191 WeakPolarHBondContact O-CD 3.39Å; A187-R191 WeakPolarHBondContact O-CG 3.29Å; A187-R191 PolarHBondContact O-N 3.45Å |
| 188 | A | 61 | Low | 60.1 | Low | 29 Ų | 29 | 111.5 Ų | 111.5 | 24% | 0.24 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -72.5 | -38.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R184 M185 R191 H192 | R184-A188 WeakPolarHBondContact O-CB 3.36Å; R184-A188 PolarHBondContact O-N 2.83Å; M185-A188 CarbonylContact O-C 3.54Å; M185-A188 WeakPolarHBondContact O-CA 3.43Å; M185-A188 WeakPolarHBondContact O-CB 3.36Å; M185-A188 PolarHBondContact O-N 2.82Å; A188-R191 WeakPolarHBondContact O-CA 3.47Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.44Å; A188-R191 PolarHBondContact O-N 3.48Å; A188-R191 VanDerWaalsContact O-N 3.11Å; A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 2.94Å; A188-H192 VanDerWaalsContact O-N 3.13Å |
| 189 | E | 56.9 | Low | 59 | Low | 141 Ų | 141 | 119.4 Ų | 119.4 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.1 | -41.3 | 177.5 | -164.3 | 168.3 | -168.8 | 0 | 0 | 111.1 | M185 A186 R191 H192 S193 | M185-E189 WeakPolarHBondContact O-CB 3.47Å; M185-E189 PolarHBondContact O-N 2.62Å; A186-E189 PolarHBondContact O-N 3.25Å; E189-R191 PolarHBondContact O-N 2.95Å; E189-H192 PolarHBondContact O-N 3.24Å; E189-S193 PolarHBondContact O-N 3.05Å |
| 190 | H | 53.2 | Low | 58 | Low | 150 Ų | 150 | 118.1 Ų | 118.1 | 69% | 0.694 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.8 | -23.9 | 170.5 | -132.5 | -68.9 | 0 | 0 | 0 | 113.2 | A186 S194 | A186-H190 WeakPolarHBondContact O-CB 3.4Å; A186-H190 PolarHBondContact O-N 2.89Å; H190-S194 WeakPolarHBondContact O-CB 3.34Å; H190-S194 PolarHBondContact O-OG 3.32Å |
| 191 | R | 49.7 | Very low | 57 | Low | 187 Ų | 187 | 124.6 Ų | 124.6 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.5 | -33 | 175.4 | -77.3 | 167.8 | -176.3 | 177 | -0.6 | 113.1 | A187 A188 E189 S194 | A187-R191 WeakPolarHBondContact O-CD 3.39Å; A187-R191 WeakPolarHBondContact O-CG 3.29Å; A187-R191 PolarHBondContact O-N 3.45Å; A188-R191 WeakPolarHBondContact O-CA 3.47Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.44Å; A188-R191 PolarHBondContact O-N 3.48Å; A188-R191 VanDerWaalsContact O-N 3.11Å; E189-R191 PolarHBondContact O-N 2.95Å; R191-S194 PolarHBondContact O-OG 2.9Å |
| 192 | H | 51.5 | Low | 55.9 | Low | 169 Ų | 169 | 124.5 Ų | 124.5 | 78% | 0.782 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.5 | -28.6 | 177.7 | -71.2 | -63.9 | 0 | 0 | 0 | 112.6 | A188 E189 | A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 2.94Å; A188-H192 VanDerWaalsContact O-N 3.13Å; E189-H192 PolarHBondContact O-N 3.24Å |
| 193 | S | 53.9 | Low | 55 | Low | 111 Ų | 111 | 120 Ų | 120 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -85.7 | -11 | 179.8 | -165.9 | 0 | 0 | 0 | 0 | 114.9 | E189 | E189-S193 PolarHBondContact O-N 3.05Š|
| 194 | S | 56.8 | Low | 54 | Low | 61 Ų | 61 | 120.2 Ų | 120.2 | 43% | 0.427 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -99.7 | -10.3 | -172.8 | 49.1 | 0 | 0 | 0 | 0 | 115.2 | H190 R191 L196 | H190-S194 WeakPolarHBondContact O-CB 3.34Å; H190-S194 PolarHBondContact O-OG 3.32Å; R191-S194 PolarHBondContact O-OG 2.9Å; S194-L196 PolarHBondContact O-N 3.31Å |
| 195 | G | 54.9 | Low | 53.1 | Low | 75 Ų | 75 | 117.4 Ų | 117.4 | 77% | 0.773 | 62% | 0.616 | S | S | * | * | trans | 58 | 12.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 196 | L | 50.4 | Low | 52.4 | Low | 141 Ų | 141 | 114 Ų | 114 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | trans | -87.6 | 132.8 | -174 | -81.9 | 164.1 | 0 | 0 | 0 | 111.2 | S194 Y198 | S194-L196 PolarHBondContact O-N 3.31Å; L196-Y198 PolarHBondContact O-N 3.39Å | ||
| 197 | P | 46.8 | Very low | 52 | Low | 104 Ų | 104 | 116.2 Ų | 116.2 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | trans | -63.9 | 135.4 | 177.6 | 24.7 | -30.8 | 0 | 0 | 0 | 110.7 | W199 | P197-W199 PolarHBondContact O-N 2.96Š| ||
| 198 | Y | 45.1 | Very low | 51.8 | Low | 195 Ų | 195 | 121.5 Ų | 121.5 | 77% | 0.765 | 62% | 0.623 | S | S | * | * | trans | -56.1 | 107.3 | -179.7 | 172.8 | -106.4 | 0 | 0 | 0 | 111.5 | L196 P200 | L196-Y198 PolarHBondContact O-N 3.39Å; Y198-P200 HydrophobicContact CD1-CG 4.21Å; Y198-P200 HydrophobicContact CE1-CB 3.82Å; Y198-P200 HydrophobicContact CE1-CG 3.56Å; Y198-P200 HydrophobicContact CE2-CB 4.33Å; Y198-P200 WeakPolarHBondContact OH-CB 3.38Å | ||
| 199 | W | 46.6 | Very low | 51.6 | Low | 228 Ų | 228 | 125.2 Ų | 125.2 | 86% | 0.864 | 64% | 0.639 | S | S | * | * | trans | -97 | 110.7 | 155.7 | -86.5 | 87.6 | 0 | 0 | 0 | 107.7 | P197 Y201 | P197-W199 PolarHBondContact O-N 2.96Å; W199-Y201 PolarHBondContact O-N 3.37Å | ||
| 200 | P | 46.9 | Very low | 51.5 | Low | 66 Ų | 66 | 127.2 Ų | 127.2 | 43% | 0.429 | 64% | 0.641 | S | S | . | * | trans | -58.8 | 119.7 | 173.1 | 7.7 | -5.5 | 0 | 0 | 0 | 107.5 | Y198 L202 | Y198-P200 HydrophobicContact CD1-CG 4.21Å; Y198-P200 HydrophobicContact CE1-CB 3.82Å; Y198-P200 HydrophobicContact CE1-CG 3.56Å; Y198-P200 HydrophobicContact CE2-CB 4.33Å; Y198-P200 WeakPolarHBondContact OH-CB 3.38Å; P200-L202 PolarHBondContact O-N 3.33Å | ||
| 201 | Y | 46.7 | Very low | 51.6 | Low | 216 Ų | 216 | 127.1 Ų | 127.1 | 85% | 0.847 | 64% | 0.642 | S | S | * | * | trans | -49.9 | 112.5 | 160.1 | -142.2 | -96 | 0 | 0 | 0 | 105.5 | W199 T203 | W199-Y201 PolarHBondContact O-N 3.37Å; Y201-T203 PolarHBondContact O-N 2.97Å | ||
| 202 | L | 48.2 | Very low | 51.7 | Low | 84 Ų | 84 | 121.2 Ų | 121.2 | 44% | 0.44 | 64% | 0.64 | S | S | . | * | trans | -50.9 | 106.7 | 175.5 | -82.1 | 158.3 | 0 | 0 | 0 | 106.7 | P200 T206 L207 | P200-L202 PolarHBondContact O-N 3.33Å; L202-T206 HydrophobicContact CD2-CG2 3.64Å; L202-L207 HydrophobicContact CB-CD1 4.49Å | ||
| 203 | T | 54.5 | Low | 51.9 | Low | 88 Ų | 88 | 120.5 Ų | 120.5 | 54% | 0.54 | 64% | 0.636 | S | S | . | * | trans | -56.2 | 145.2 | 178.5 | -20 | 0 | 0 | 0 | 0 | 106.8 | Y201 E205 T206 L207 | Y201-T203 PolarHBondContact O-N 2.97Å; T203-E205 CarbonylContact O-C 3.58Å; T203-E205 PolarHBondContact O-N 3.32Å; T203-T206 PolarHBondContact N-OG1 3.24Å; T203-T206 WeakPolarHBondContact O-CA 3.48Å; T203-T206 WeakPolarHBondContact O-CB 3.49Å; T203-T206 PolarHBondContact O-N 2.76Å; T203-T206 PolarHBondContact O-OG1 3.49Å; T203-L207 PolarHBondContact O-N 2.92Å | ||
| 204 | A | 50.9 | Low | 52.1 | Low | 82 Ų | 82 | 123.7 Ų | 123.7 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.4 | -28.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | L207 K208 | A204-L207 PolarHBondContact O-N 3.43Å; A204-K208 VanDerWaalsContact O-CB 3.25Å; A204-K208 WeakPolarHBondContact O-CB 3.25Å; A204-K208 PolarHBondContact O-N 3.44Å |
| 205 | E | 51.8 | Low | 52.2 | Low | 133 Ų | 133 | 126.1 Ų | 126.1 | 62% | 0.621 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -53.2 | -49.5 | 167 | -128.5 | 88.8 | -144.3 | 0 | 0 | 113.6 | T203 K208 N209 | T203-E205 CarbonylContact O-C 3.58Å; T203-E205 PolarHBondContact O-N 3.32Å; E205-K208 PolarHBondContact O-N 2.97Å; E205-N209 VanDerWaalsContact O-CG 3.25Å; E205-N209 PolarHBondContact O-N 3.34Å; E205-N209 PolarHBondContact O-ND2 3.47Å |
| 206 | T | 51.5 | Low | 52.5 | Low | 53 Ų | 53 | 128.1 Ų | 128.1 | 33% | 0.325 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.8 | -34.7 | -177.2 | -28.6 | 0 | 0 | 0 | 0 | 111.7 | L202 T203 R210 | L202-T206 HydrophobicContact CD2-CG2 3.64Å; T203-T206 PolarHBondContact N-OG1 3.24Å; T203-T206 WeakPolarHBondContact O-CA 3.48Å; T203-T206 WeakPolarHBondContact O-CB 3.49Å; T203-T206 PolarHBondContact O-N 2.76Å; T203-T206 PolarHBondContact O-OG1 3.49Å; T206-R210 PolarHBondContact O-N 3.06Å |
| 207 | L | 54.8 | Low | 53.1 | Low | 84 Ų | 84 | 126.7 Ų | 126.7 | 44% | 0.44 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.4 | -36.6 | 174.2 | -119.7 | 152.4 | 0 | 0 | 0 | 111.5 | L202 T203 A204 R210 M211 | L202-L207 HydrophobicContact CB-CD1 4.49Å; T203-L207 PolarHBondContact O-N 2.92Å; A204-L207 PolarHBondContact O-N 3.43Å; L207-R210 PolarHBondContact O-N 3.24Å; L207-M211 HydrophobicContact CB-CE 4.49Å; L207-M211 HydrophobicContact CD2-CE 3.25Å; L207-M211 HydrophobicContact CG-CE 4.47Å; L207-M211 PolarHBondContact O-N 3.27Å |
| 208 | K | 55.3 | Low | 53.1 | Low | 155 Ų | 155 | 127.5 Ų | 127.5 | 67% | 0.674 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.9 | -39.9 | 175.7 | -166.6 | -178.9 | 174.8 | -169.3 | 0 | 112.1 | A204 E205 R210 M211 G212 | A204-K208 VanDerWaalsContact O-CB 3.25Å; A204-K208 WeakPolarHBondContact O-CB 3.25Å; A204-K208 PolarHBondContact O-N 3.44Å; E205-K208 PolarHBondContact O-N 2.97Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; K208-M211 PolarHBondContact O-N 3.13Å; K208-G212 PolarHBondContact O-N 3.42Å; K208-G212 VanDerWaalsContact O-N 3.13Å |
| 209 | N | 57.3 | Low | 53.6 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 57% | 0.567 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -27.8 | 175.9 | -67.7 | -15.4 | 0 | 0 | 0 | 112.9 | E205 H213 | E205-N209 VanDerWaalsContact O-CG 3.25Å; E205-N209 PolarHBondContact O-N 3.34Å; E205-N209 PolarHBondContact O-ND2 3.47Å; N209-H213 PolarHBondContact O-ND1 2.94Å |
| 210 | R | 55.9 | Low | 54 | Low | 183 Ų | 183 | 122 Ų | 122 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.1 | -31.5 | 173.4 | -76 | -174.2 | 177.6 | -175.5 | -0.2 | 113.9 | T206 L207 K208 G212 | T206-R210 PolarHBondContact O-N 3.06Å; L207-R210 PolarHBondContact O-N 3.24Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; R210-G212 VanDerWaalsContact C-N 3.35Å |
| 211 | M | 54 | Low | 53.9 | Low | 148 Ų | 148 | 130.6 Ų | 130.6 | 73% | 0.729 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -77.9 | -17.8 | 174.6 | -83.1 | -174 | -112.9 | 0 | 0 | 113.8 | L207 K208 | L207-M211 HydrophobicContact CB-CE 4.49Å; L207-M211 HydrophobicContact CD2-CE 3.25Å; L207-M211 HydrophobicContact CG-CE 4.47Å; L207-M211 PolarHBondContact O-N 3.27Å; K208-M211 PolarHBondContact O-N 3.13Å |
| 212 | G | 52.4 | Low | 54.3 | Low | 63 Ų | 63 | 126.4 Ų | 126.4 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -8.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.5 | K208 R210 | K208-G212 PolarHBondContact O-N 3.42Å; K208-G212 VanDerWaalsContact O-N 3.13Å; R210-G212 VanDerWaalsContact C-N 3.35Å |
| 213 | H | 55.3 | Low | 54.6 | Low | 155 Ų | 155 | 128.6 Ų | 128.6 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | trans | -91.3 | 107.5 | 175.6 | -75.8 | 78.5 | 0 | 0 | 0 | 109.3 | N209 | N209-H213 PolarHBondContact O-ND1 2.94Š| ||
| 214 | Q | 57.7 | Low | 54.6 | Low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 139.4 | 160.2 | -79.8 | -163.9 | -5.9 | 0 | 0 | 108.7 | ||
| 215 | P | 59.8 | Low | 54.8 | Low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 141.5 | 168 | 25.6 | -30.9 | 0 | 0 | 0 | 108.7 | ||
| 216 | P | 61.7 | Low | 55 | Low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.3 | 176 | 24.8 | -32.5 | 0 | 0 | 0 | 109.3 | ||
| 217 | P | 61.4 | Low | 55.2 | Low | 111 Ų | 111 | 139.1 Ų | 139.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 146.4 | -179.9 | 25.1 | -32.7 | 0 | 0 | 0 | 109.9 | T219 | P217-T219 PolarHBondContact O-N 3.16Å; P217-T219 VanDerWaalsContact O-N 3.16Å |
| 218 | P | 48 | Very low | 55.3 | Low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 122.1 | -179.2 | 25.1 | -32.5 | 0 | 0 | 0 | 109.4 | Q220 | P218-Q220 PolarHBondContact O-N 3.16Å; P218-Q220 VanDerWaalsContact O-N 3.16Å |
| 219 | T | 55.3 | Low | 55.2 | Low | 133 Ų | 133 | 142.2 Ų | 142.2 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 117 | 169.8 | -44.8 | 0 | 0 | 0 | 0 | 107.9 | P217 | P217-T219 PolarHBondContact O-N 3.16Å; P217-T219 VanDerWaalsContact O-N 3.16Å |
| 220 | Q | 54 | Low | 55.1 | Low | 174 Ų | 174 | 145.2 Ų | 145.2 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 118.6 | 164 | -80.6 | -130.8 | 20.9 | 0 | 0 | 108.1 | P218 | P218-Q220 PolarHBondContact O-N 3.16Å; P218-Q220 VanDerWaalsContact O-N 3.16Å |
| 221 | Q | 45.4 | Very low | 55 | Low | 247 Ų | 247 | 141.7 Ų | 141.7 | 100% | 1.154 | 79% | 0.791 | S | S | * | * | trans | 74.6 | 0 | 168.3 | -59.5 | -174.6 | -11.2 | 0 | 0 | 116.8 |
Retrieved 221 of 221 residues in 213.8 ms
(Link to these results)