| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.1 | Very low | 49.8 | Very low | 247 Ų | 247 | 159 Ų | 159 | 100% | 1.217 | 78% | 0.775 | S | S | * | * | 0 | 110.8 | 0 | -67.3 | 178.9 | -175.9 | 0 | 0 | 108.6 | |||||
| 2 | R | 40.2 | Very low | 50.4 | Low | 238 Ų | 238 | 156.3 Ų | 156.3 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -136.6 | 112.4 | 166.7 | -72.7 | -170 | -175.2 | -131.8 | 2.3 | 106.4 | ||||
| 3 | H | 47.7 | Very low | 50.7 | Low | 184 Ų | 184 | 159.2 Ų | 159.2 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -88.1 | 113.9 | 169.2 | -81.6 | -16.3 | 0 | 0 | 0 | 107.9 | W5 | H3-W5 PolarHBondContact O-N 3.25Š| ||
| 4 | N | 43.2 | Very low | 51.2 | Low | 155 Ų | 155 | 155.2 Ų | 155.2 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -79 | 109 | 165.3 | -79 | -32.6 | 0 | 0 | 0 | 107.4 | ||||
| 5 | W | 44.6 | Very low | 51.8 | Low | 238 Ų | 238 | 152.1 Ų | 152.1 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -87.8 | 109 | 169.3 | -111.2 | 63.2 | 0 | 0 | 0 | 108.3 | H3 | H3-W5 PolarHBondContact O-N 3.25Š| ||
| 6 | T | 54.4 | Low | 52.3 | Low | 125 Ų | 125 | 149.5 Ų | 149.5 | 77% | 0.767 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 122.2 | 163.7 | 30.3 | 0 | 0 | 0 | 0 | 108.6 | D8 | T6-D8 PolarHBondContact O-N 3.01Š|
| 7 | P | 48.9 | Very low | 52.7 | Low | 109 Ų | 109 | 144.4 Ų | 144.4 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 132.5 | 173.6 | 24.8 | -30 | 0 | 0 | 0 | 109.9 | L9 | P7-L9 PolarHBondContact O-N 3.49Š|
| 8 | D | 53.2 | Low | 52.9 | Low | 102 Ų | 102 | 139 Ų | 139 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 118.2 | -175.5 | -168.3 | -10.9 | 0 | 0 | 0 | 110.7 | T6 S10 F11 | T6-D8 PolarHBondContact O-N 3.01Å; D8-S10 PolarHBondContact O-N 2.9Å; D8-S10 WeakPolarHBondContact OD1-CB 3.34Å; D8-S10 PolarHBondContact OD1-N 3.13Å; D8-S10 VanDerWaalsContact OD1-N 3.1Å; D8-S10 PolarHBondContact OD1-OG 3.03Å; D8-S10 PolarHBondContact OD2-OG 3.09Å; D8-S10 VanDerWaalsContact OD2-OG 3.11Å; D8-F11 HydrophobicContact CB-CD2 4.42Å; D8-F11 PolarHBondContact O-N 2.82Å |
| 9 | L | 56.3 | Low | 53.1 | Low | 145 Ų | 145 | 138.2 Ų | 138.2 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -59.6 | -14.2 | 176.9 | -84.7 | 99.2 | 0 | 0 | 0 | 112.5 | P7 F11 L12 | P7-L9 PolarHBondContact O-N 3.49Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 3.03Å |
| 10 | S | 58.6 | Low | 53.3 | Low | 54 Ų | 54 | 136.7 Ų | 136.7 | 38% | 0.378 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64.4 | -33.1 | 176.9 | 80.5 | 0 | 0 | 0 | 0 | 113 | D8 L12 W13 V14 | D8-S10 PolarHBondContact O-N 2.9Å; D8-S10 WeakPolarHBondContact OD1-CB 3.34Å; D8-S10 PolarHBondContact OD1-N 3.13Å; D8-S10 VanDerWaalsContact OD1-N 3.1Å; D8-S10 PolarHBondContact OD1-OG 3.03Å; D8-S10 PolarHBondContact OD2-OG 3.09Å; D8-S10 VanDerWaalsContact OD2-OG 3.11Å; S10-L12 PolarHBondContact O-N 3.24Å; S10-W13 PolarHBondContact O-N 3.17Å; S10-V14 WeakPolarHBondContact O-CG2 3.45Å; S10-V14 PolarHBondContact O-N 2.94Å |
| 11 | F | 57.1 | Low | 53.5 | Low | 152 Ų | 152 | 135.6 Ų | 135.6 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.9 | -34.6 | -179.7 | -88.7 | -87 | 0 | 0 | 0 | 113.1 | D8 L9 W13 L15 | D8-F11 HydrophobicContact CB-CD2 4.42Å; D8-F11 PolarHBondContact O-N 2.82Å; L9-F11 VanDerWaalsContact C-N 3.32Å; L9-F11 PolarHBondContact O-N 2.95Å; F11-W13 VanDerWaalsContact C-N 3.3Å; F11-W13 PolarHBondContact O-N 3.41Å; F11-L15 WeakPolarHBondContact O-CD1 3.22Å; F11-L15 PolarHBondContact O-N 3.2Å |
| 12 | L | 57 | Low | 54.1 | Low | 127 Ų | 127 | 128.5 Ų | 128.5 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.2 | -33.3 | 176.6 | -93 | 138.6 | 0 | 0 | 0 | 112.1 | L9 S10 L16 | L9-L12 PolarHBondContact O-N 3.03Å; S10-L12 PolarHBondContact O-N 3.24Å; L12-L16 PolarHBondContact O-N 3.08Å |
| 13 | W | 54.9 | Low | 54.9 | Low | 194 Ų | 194 | 123.3 Ų | 123.3 | 74% | 0.735 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.1 | -39.6 | -179.5 | -157.7 | 6.6 | 0 | 0 | 0 | 112.2 | S10 F11 L15 L16 C17 | S10-W13 PolarHBondContact O-N 3.17Å; F11-W13 VanDerWaalsContact C-N 3.3Å; F11-W13 PolarHBondContact O-N 3.41Å; W13-L15 VanDerWaalsContact C-N 3.35Å; W13-L15 PolarHBondContact O-N 3.16Å; W13-L16 PolarHBondContact O-N 3.28Å; W13-C17 PolarHBondContact O-N 2.91Å; W13-C17 VanDerWaalsContact O-N 3.09Å; W13-C17 PolarHBondContact O-SG 2.82Å |
| 14 | V | 57.9 | Low | 55 | Low | 103 Ų | 103 | 121.1 Ų | 121.1 | 62% | 0.624 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.2 | -39.8 | 176.8 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | S10 L16 C17 A18 | S10-V14 WeakPolarHBondContact O-CG2 3.45Å; S10-V14 PolarHBondContact O-N 2.94Å; V14-L16 PolarHBondContact O-N 3.33Å; V14-C17 PolarHBondContact O-N 3.38Å; V14-A18 PolarHBondContact O-N 2.9Å; V14-A18 VanDerWaalsContact O-N 3.09Å |
| 15 | L | 59.5 | Low | 55.1 | Low | 109 Ų | 109 | 118.9 Ų | 118.9 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -38.5 | 175.2 | -97.8 | 124.5 | 0 | 0 | 0 | 112.6 | F11 W13 A18 H19 | F11-L15 WeakPolarHBondContact O-CD1 3.22Å; F11-L15 PolarHBondContact O-N 3.2Å; W13-L15 VanDerWaalsContact C-N 3.35Å; W13-L15 PolarHBondContact O-N 3.16Å; L15-A18 PolarHBondContact O-N 3.26Å; L15-H19 PolarHBondContact O-N 3.16Å; L15-H19 PolarHBondContact O-ND1 2.8Å |
| 16 | L | 59.8 | Low | 55.2 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.1 | -42.1 | 176.4 | -130.1 | 97.1 | 0 | 0 | 0 | 111.6 | L12 W13 V14 A18 H19 I20 | L12-L16 PolarHBondContact O-N 3.08Å; W13-L16 PolarHBondContact O-N 3.28Å; V14-L16 PolarHBondContact O-N 3.33Å; L16-A18 PolarHBondContact O-N 2.89Å; L16-H19 PolarHBondContact O-N 3.12Å; L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.81Å |
| 17 | C | 58.6 | Low | 54.7 | Low | 62 Ų | 62 | 116.2 Ų | 116.2 | 42% | 0.419 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -39.3 | 177.3 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | W13 V14 H19 I20 I21 | W13-C17 PolarHBondContact O-N 2.91Å; W13-C17 VanDerWaalsContact O-N 3.09Å; W13-C17 PolarHBondContact O-SG 2.82Å; V14-C17 PolarHBondContact O-N 3.38Å; C17-H19 VanDerWaalsContact C-N 3.35Å; C17-H19 PolarHBondContact O-N 2.85Å; C17-I20 PolarHBondContact O-N 2.89Å; C17-I21 WeakPolarHBondContact O-CG1 3.49Å; C17-I21 PolarHBondContact O-N 3.4Å |
| 18 | A | 57.5 | Low | 54.4 | Low | 48 Ų | 48 | 116.2 Ų | 116.2 | 40% | 0.397 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V14 L15 L16 T22 | V14-A18 PolarHBondContact O-N 2.9Å; V14-A18 VanDerWaalsContact O-N 3.09Å; L15-A18 PolarHBondContact O-N 3.26Å; L16-A18 PolarHBondContact O-N 2.89Å; A18-T22 PolarHBondContact O-N 3.12Å; A18-T22 PolarHBondContact O-OG1 2.8Å |
| 19 | H | 55.7 | Low | 53.9 | Low | 124 Ų | 124 | 116.8 Ų | 116.8 | 57% | 0.574 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.6 | -38.3 | 177.8 | -78.5 | 59.1 | 0 | 0 | 0 | 112.5 | L15 L16 C17 T22 L23 | L15-H19 PolarHBondContact O-N 3.16Å; L15-H19 PolarHBondContact O-ND1 2.8Å; L16-H19 PolarHBondContact O-N 3.12Å; C17-H19 VanDerWaalsContact C-N 3.35Å; C17-H19 PolarHBondContact O-N 2.85Å; H19-T22 PolarHBondContact O-N 2.94Å; H19-L23 PolarHBondContact O-N 2.83Å; H19-L23 VanDerWaalsContact O-N 3.16Å |
| 20 | I | 58.3 | Low | 53.3 | Low | 107 Ų | 107 | 115.5 Ų | 115.5 | 55% | 0.549 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.4 | -40.6 | 178.5 | -64.9 | 172.2 | 0 | 0 | 0 | 111.1 | L16 C17 L23 L24 | L16-I20 WeakPolarHBondContact O-CG1 3.29Å; L16-I20 PolarHBondContact O-N 2.81Å; C17-I20 PolarHBondContact O-N 2.89Å; I20-L23 PolarHBondContact O-N 3.27Å; I20-L24 PolarHBondContact O-N 3.04Å |
| 21 | I | 57.7 | Low | 52.5 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 59% | 0.585 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67 | -38.5 | 178.3 | -63.2 | 169.6 | 0 | 0 | 0 | 111.2 | C17 L23 L24 V25 | C17-I21 WeakPolarHBondContact O-CG1 3.49Å; C17-I21 PolarHBondContact O-N 3.4Å; I21-L23 PolarHBondContact O-N 2.76Å; I21-L24 PolarHBondContact O-N 2.91Å; I21-V25 PolarHBondContact O-N 2.78Å |
| 22 | T | 55.8 | Low | 51.8 | Low | 99 Ų | 99 | 119 Ų | 119 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -70.5 | -31.8 | -179.5 | -43.3 | 0 | 0 | 0 | 0 | 112.4 | A18 H19 | A18-T22 PolarHBondContact O-N 3.12Å; A18-T22 PolarHBondContact O-OG1 2.8Å; H19-T22 PolarHBondContact O-N 2.94Å |
| 23 | L | 55.5 | Low | 51 | Low | 129 Ų | 129 | 119.1 Ų | 119.1 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.1 | -34.3 | 174.2 | -77.5 | 165.4 | 0 | 0 | 0 | 112.5 | H19 I20 I21 R26 | H19-L23 PolarHBondContact O-N 2.83Å; H19-L23 VanDerWaalsContact O-N 3.16Å; I20-L23 PolarHBondContact O-N 3.27Å; I21-L23 PolarHBondContact O-N 2.76Å; L23-R26 PolarHBondContact O-N 2.89Å |
| 24 | L | 50.2 | Low | 50.5 | Low | 138 Ų | 138 | 115.4 Ų | 115.4 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.4 | -34.4 | -179.9 | -146 | 79.9 | 0 | 0 | 0 | 112.6 | I20 I21 | I20-L24 PolarHBondContact O-N 3.04Å; I21-L24 PolarHBondContact O-N 2.91Å |
| 25 | V | 45.9 | Very low | 49.9 | Very low | 107 Ų | 107 | 116.4 Ų | 116.4 | 65% | 0.648 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -73.6 | -25.6 | 178.2 | 171.5 | 0 | 0 | 0 | 0 | 112.6 | I21 A27 | I21-V25 PolarHBondContact O-N 2.78Å; V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.87Å |
| 26 | R | 45.8 | Very low | 49.2 | Very low | 232 Ų | 232 | 115.2 Ų | 115.2 | 88% | 0.875 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -5 | -179.2 | -151.5 | 176 | -167.2 | 163.8 | 4 | 113.9 | L23 | L23-R26 PolarHBondContact O-N 2.89Š|
| 27 | A | 44.2 | Very low | 48.6 | Very low | 75 Ų | 75 | 114.6 Ų | 114.6 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 16 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V25 P29 | V25-A27 VanDerWaalsContact C-N 3.32Å; V25-A27 PolarHBondContact O-N 2.87Å; A27-P29 WeakPolarHBondContact O-CD 3.48Å |
| 28 | T | 42 | Very low | 47.9 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -82.2 | 109 | 165.1 | 49.1 | 0 | 0 | 0 | 0 | 109.4 | V30 | T28-V30 PolarHBondContact O-N 3.11Š| ||
| 29 | P | 43.2 | Very low | 47.2 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | trans | -72.8 | 122.1 | 167.9 | 29 | -25.7 | 0 | 0 | 0 | 107.9 | A27 S31 | A27-P29 WeakPolarHBondContact O-CD 3.48Å; P29-S31 PolarHBondContact O-N 3.21Å; P29-S31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | V | 43.4 | Very low | 46.5 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 72% | 0.715 | 72% | 0.721 | S | S | * | * | trans | -57.7 | 113.9 | 165.1 | 161.1 | 0 | 0 | 0 | 0 | 107.8 | T28 Q32 | T28-V30 PolarHBondContact O-N 3.11Å; V30-Q32 HydrophobicContact CG1-CG 3.92Å; V30-Q32 PolarHBondContact O-N 3.05Å | ||
| 31 | S | 41.8 | Very low | 45.7 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -65.3 | 100.5 | 167.9 | -67 | 0 | 0 | 0 | 0 | 108.8 | P29 T33 | P29-S31 PolarHBondContact O-N 3.21Å; P29-S31 VanDerWaalsContact O-N 3.15Å; S31-T33 PolarHBondContact O-N 3.1Å | ||
| 32 | Q | 43.8 | Very low | 45.2 | Very low | 163 Ų | 163 | 127.2 Ų | 127.2 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -82.7 | 104.8 | 166.8 | -66 | -171.5 | -13 | 0 | 0 | 108.5 | V30 T34 | V30-Q32 HydrophobicContact CG1-CG 3.92Å; V30-Q32 PolarHBondContact O-N 3.05Å; Q32-T34 PolarHBondContact O-N 2.9Å; Q32-T34 VanDerWaalsContact O-N 3.17Å | ||
| 33 | T | 39.5 | Very low | 44.3 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -73.7 | 95.2 | 164.7 | -59.5 | 0 | 0 | 0 | 0 | 108.2 | S31 | S31-T33 PolarHBondContact O-N 3.1Š| ||
| 34 | T | 44.8 | Very low | 44 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | trans | -95.2 | 101 | 167.6 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | Q32 A36 | Q32-T34 PolarHBondContact O-N 2.9Å; Q32-T34 VanDerWaalsContact O-N 3.17Å; T34-A36 PolarHBondContact O-N 3.17Å | ||
| 35 | T | 45.6 | Very low | 43.9 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -73.4 | 104.5 | 169.1 | -57.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 36 | A | 44.4 | Very low | 43.9 | Very low | 83 Ų | 83 | 132.1 Ų | 132.1 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | -100.1 | 105.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | T34 T38 | T34-A36 PolarHBondContact O-N 3.17Å; A36-T38 PolarHBondContact O-N 2.97Å | ||
| 37 | A | 47 | Very low | 44.1 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | -74.2 | 110.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 38 | T | 43.8 | Very low | 44.6 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -118.7 | 119.3 | 166.7 | -56.4 | 0 | 0 | 0 | 0 | 109.2 | A36 | A36-T38 PolarHBondContact O-N 2.97Š| ||
| 39 | V | 42.1 | Very low | 45.2 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -48.8 | 130.8 | -179.6 | 170.3 | 0 | 0 | 0 | 0 | 112.2 | S41 | V39-S41 PolarHBondContact O-N 2.91Š| ||
| 40 | S | 41.4 | Very low | 45.6 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -63.5 | 114.8 | 167.3 | 161.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | S | 42.2 | Very low | 46.2 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -113.7 | 106.8 | 157.6 | 59.9 | 0 | 0 | 0 | 0 | 109.3 | V39 S43 | V39-S41 PolarHBondContact O-N 2.91Å; S41-S43 PolarHBondContact O-N 2.78Å | ||
| 42 | R | 45.8 | Very low | 46.6 | Very low | 234 Ų | 234 | 130.6 Ų | 130.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -64.4 | 109.5 | 166.7 | 175.7 | -173 | -90.8 | -170.1 | -7.2 | 107.3 | ||||
| 43 | S | 38.7 | Very low | 46.9 | Very low | 104 Ų | 104 | 127.5 Ų | 127.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -122.9 | 106.7 | 166.1 | -165 | 0 | 0 | 0 | 0 | 108.7 | S41 K45 | S41-S43 PolarHBondContact O-N 2.78Å; S43-K45 PolarHBondContact O-N 3.13Å | ||
| 44 | T | 48.8 | Very low | 47.2 | Very low | 135 Ų | 135 | 127.1 Ų | 127.1 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -63.2 | 110.3 | 171.9 | -46 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 45 | K | 48 | Very low | 47.1 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -145.2 | 134.7 | 165.1 | -161.4 | 145.3 | -172.3 | 168 | 0 | 109.9 | S43 | S43-K45 PolarHBondContact O-N 3.13Š| ||
| 46 | D | 45 | Very low | 47.7 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | -42.5 | 147.3 | -172.3 | -80.6 | -58.1 | 0 | 0 | 0 | 115.4 | C48 | D46-C48 PolarHBondContact O-N 3.14Š| ||
| 47 | P | 50 | Low | 48.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -65.9 | 121.2 | 173.9 | -10.9 | 25.6 | 0 | 0 | 0 | 110.8 | ||||
| 48 | C | 55 | Low | 49.3 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | trans | -62.8 | 137.3 | 167.9 | -69.4 | 0 | 0 | 0 | 0 | 110.4 | D46 C50 | D46-C48 PolarHBondContact O-N 3.14Å; C48-C50 PolarHBondContact O-N 3.01Å | ||
| 49 | P | 54.5 | Low | 50.8 | Low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -80.6 | 26.4 | -176.9 | 33.7 | -35 | 0 | 0 | 0 | 113.9 | ||
| 50 | C | 53.1 | Low | 53 | Low | 111 Ų | 111 | 129.2 Ų | 129.2 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | -118.1 | 59.5 | -175.9 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | C48 P52 | C48-C50 PolarHBondContact O-N 3.01Å; C50-P52 WeakPolarHBondContact O-CD 3.43Å | ||
| 51 | Q | 54.5 | Low | 55.5 | Low | 163 Ų | 163 | 124.9 Ų | 124.9 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | trans | -80.3 | 115.9 | 164.6 | -165.5 | 157 | -38.6 | 0 | 0 | 107.3 | ||||
| 52 | P | 50.3 | Low | 58 | Low | 95 Ų | 95 | 121.1 Ų | 121.1 | 62% | 0.617 | 69% | 0.69 | S | S | * | * | trans | -59.6 | 154.7 | 173.8 | 24.2 | -31 | 0 | 0 | 0 | 109.4 | C50 V54 | C50-P52 WeakPolarHBondContact O-CD 3.43Å; P52-V54 PolarHBondContact O-N 3.2Å; P52-V54 VanDerWaalsContact O-N 3.09Å | ||
| 53 | P | 49.9 | Very low | 60.2 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 63% | 0.63 | 66% | 0.659 | S | S | * | * | trans | -48.4 | 124.8 | 174.9 | -22.8 | 31.1 | 0 | 0 | 0 | 108.9 | F55 | P53-F55 VanDerWaalsContact O-CD2 3.3Å; P53-F55 WeakPolarHBondContact O-CD2 3.29Å; P53-F55 PolarHBondContact O-N 3.31Å | ||
| 54 | V | 45.7 | Very low | 63 | Low | 120 Ų | 120 | 107.6 Ų | 107.6 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | -66.9 | 92.2 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 106 | P52 | P52-V54 PolarHBondContact O-N 3.2Å; P52-V54 VanDerWaalsContact O-N 3.09Å | ||
| 55 | F | 43.7 | Very low | 65.3 | Low | 167 Ų | 167 | 104.7 Ų | 104.7 | 73% | 0.732 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136.8 | 168.4 | -70.7 | -80 | 0 | 0 | 0 | 107.3 | P53 A57 | P53-F55 VanDerWaalsContact O-CD2 3.3Å; P53-F55 WeakPolarHBondContact O-CD2 3.29Å; P53-F55 PolarHBondContact O-N 3.31Å; F55-A57 PolarHBondContact O-N 3.49Å |
| 56 | P | 58.1 | Low | 67.7 | Low | 111 Ų | 111 | 96.2 Ų | 96.2 | 72% | 0.721 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 132 | 171.9 | -20 | 29.6 | 0 | 0 | 0 | 108.2 | A58 | P56-A58 PolarHBondContact O-N 3.24Š|
| 57 | A | 59.3 | Low | 70.1 | Confident | 90 Ų | 90 | 93.1 Ų | 93.1 | 74% | 0.744 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -49 | 129.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F55 K59 | F55-A57 PolarHBondContact O-N 3.49Å; A57-K59 PolarHBondContact O-N 3.25Å |
| 58 | A | 64.9 | Low | 72.3 | Confident | 99 Ų | 99 | 91.7 Ų | 91.7 | 82% | 0.818 | 54% | 0.537 | S | S | * | . | trans | -55 | 113 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P56 Q60 | P56-A58 PolarHBondContact O-N 3.24Å; A58-Q60 PolarHBondContact O-N 3.35Å | ||
| 59 | K | 76.9 | Confident | 74 | Confident | 124 Ų | 124 | 88.7 Ų | 88.7 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 133.3 | 178.2 | -65.9 | -177.5 | -174.1 | 173.4 | 0 | 108.4 | A57 A63 E65 | A57-K59 PolarHBondContact O-N 3.25Å; K59-A63 HydrophobicContact CB-CB 3.8Å; K59-E65 IonicContact NZ-OE1 2.56Å; K59-E65 PolarHBondContact NZ-OE1 3.45Å; K59-E65 IonicContact NZ-OE2 2.84Å; K59-E65 PolarHBondContact NZ-OE2 3.42Å |
| 60 | Q | 88.2 | Confident | 75.6 | Confident | 138 Ų | 138 | 90 Ų | 90 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 139.6 | 176.2 | -165.7 | 66.9 | 3.3 | 0 | 0 | 110 | A58 A63 | A58-Q60 PolarHBondContact O-N 3.35Å; Q60-A63 PolarHBondContact O-N 2.92Å |
| 61 | C | 92.8 | Very high | 77.4 | Confident | 22 Ų | 22 | 90.3 Ų | 90.3 | 15% | 0.149 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 137.8 | 169.1 | -69.5 | 0 | 0 | 0 | 0 | 109.7 | C86 R88 | C61-C86 VanDerWaalsContact CA-SG 3.54Å; C61-C86 HydrophobicContact CB-CB 3.8Å; C61-C86 WeakPolarHBondContact CB-SG 3.25Å; C61-C86 WeakPolarHBondContact SG-CB 3.46Å; C61-C86 CovalentContact SG-SG 2.04Å; C61-C86 PolarHBondContact SG-SG 3.34Å; C61-R88 HydrophobicContact CB-CG 4.47Å |
| 62 | P | 94.1 | Very high | 79.1 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 20% | 0.201 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -89.7 | -9.4 | 18.9 | 35.6 | -40 | 0 | 0 | 0 | 116.4 | L64 A85 C86 L149 Q154 V156 | P62-L64 PolarHBondContact O-N 3.48Å; P62-A85 CarbonylContact O-C 3.54Å; P62-C86 WeakPolarHBondContact CA-O 3.42Å; P62-C86 PolarHBondContact O-N 2.75Å; P62-L149 HydrophobicContact CB-CD2 3.5Å; P62-Q154 VanDerWaalsContact CB-NE2 3.34Å; P62-V156 HydrophobicContact CG-CG2 4.27Å |
| 63 | A | 93.7 | Very high | 81 | Confident | 27 Ų | 27 | 83.2 Ų | 83.2 | 22% | 0.223 | 47% | 0.469 | C | S | . | . | trans | 37.5 | 45.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K59 Q60 E65 C86 | K59-A63 HydrophobicContact CB-CB 3.8Å; Q60-A63 PolarHBondContact O-N 2.92Å; A63-E65 PolarHBondContact O-N 2.83Å; A63-C86 HydrophobicContact CB-CB 4.19Å | ||
| 64 | L | 97.3 | Very high | 83.1 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 14% | 0.136 | 47% | 0.469 | C | S | . | . | trans | -75 | 117 | -175.8 | -177.7 | 69.4 | 0 | 0 | 0 | 110.2 | P62 C83 T84 A85 L95 L149 V156 R158 | P62-L64 PolarHBondContact O-N 3.48Å; L64-C83 VanDerWaalsContact CD1-SG 3.57Å; L64-T84 CarbonylContact C-O 3.48Å; L64-T84 WeakPolarHBondContact CA-O 3.46Å; L64-A85 HydrophobicContact CD1-CB 3.68Å; L64-L95 HydrophobicContact CD1-CD1 4.01Å; L64-L149 HydrophobicContact CD1-CB 4.28Å; L64-V156 HydrophobicContact CD2-CB 4.38Å; L64-V156 HydrophobicContact CD2-CG1 3.94Å; L64-V156 WeakPolarHBondContact CD2-O 3.3Å; L64-R158 HydrophobicContact CD2-CB 3.9Å; L64-R158 HydrophobicContact CG-CB 4.17Å | ||
| 65 | E | 97.2 | Very high | 85.3 | Confident | 75 Ų | 75 | 82 Ų | 82 | 35% | 0.35 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.1 | -176.7 | -56.7 | -165.4 | 134.7 | 0 | 0 | 110.6 | K59 A63 C83 T84 | K59-E65 IonicContact NZ-OE1 2.56Å; K59-E65 PolarHBondContact NZ-OE1 3.45Å; K59-E65 IonicContact NZ-OE2 2.84Å; K59-E65 PolarHBondContact NZ-OE2 3.42Å; A63-E65 PolarHBondContact O-N 2.83Å; E65-C83 CarbonylContact O-C 3.58Å; E65-C83 WeakPolarHBondContact O-CA 3.28Å; E65-T84 PolarHBondContact N-O 3.03Å; E65-T84 PolarHBondContact O-N 2.84Å |
| 66 | V | 97.8 | Very high | 87.8 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 9% | 0.085 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133 | 172.7 | 173.2 | 0 | 0 | 0 | 0 | 107.7 | W68 S82 C83 W97 C147 R158 V160 | V66-W68 HydrophobicContact CG1-CE3 4.41Å; V66-W68 WeakPolarHBondContact O-CZ3 3.47Å; V66-S82 CarbonylContact C-O 3.55Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.4Å; V66-C83 HydrophobicContact CG2-CB 4.35Å; V66-W97 HydrophobicContact CB-CH2 4.49Å; V66-W97 HydrophobicContact CG1-CH2 3.71Å; V66-W97 HydrophobicContact CG1-CZ3 4.36Å; V66-W97 HydrophobicContact CG2-CH2 3.98Å; V66-W97 HydrophobicContact CG2-CZ3 4.37Å; V66-C147 HydrophobicContact CG2-CB 3.66Å; V66-R158 HydrophobicContact CB-CG 4.5Å; V66-R158 HydrophobicContact CG2-CB 4.13Å; V66-R158 HydrophobicContact CG2-CG 4.11Å; V66-V160 HydrophobicContact CG1-CB 4.42Å; V66-V160 HydrophobicContact CG1-CG1 4.12Å |
| 67 | T | 96.3 | Very high | 89.5 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 49% | 0.485 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.4 | 173.5 | 63.4 | 0 | 0 | 0 | 0 | 110.4 | S82 | T67-S82 PolarHBondContact N-O 2.87Å; T67-S82 PolarHBondContact O-N 2.83Å; T67-S82 WeakPolarHBondContact OG1-CB 3.43Å |
| 68 | W | 94.3 | Very high | 91.2 | Very high | 94 Ų | 94 | 74.9 Ų | 74.9 | 36% | 0.356 | 42% | 0.417 | S | S | . | . | trans | -142.5 | 162.1 | -176.8 | 57.8 | 91.6 | 0 | 0 | 0 | 109.2 | V66 E70 L81 V160 L165 | V66-W68 HydrophobicContact CG1-CE3 4.41Å; V66-W68 WeakPolarHBondContact O-CZ3 3.47Å; W68-E70 PolarHBondContact O-N 3.32Å; W68-L81 HydrophobicContact CB-CD2 3.5Å; W68-V160 HydrophobicContact CE3-CG2 4.49Å; W68-L165 HydrophobicContact CB-CD1 4.17Å; W68-L165 HydrophobicContact CD2-CD1 3.33Å; W68-L165 HydrophobicContact CD2-CD2 4.28Å; W68-L165 HydrophobicContact CD2-CG 4.35Å; W68-L165 HydrophobicContact CE3-CD1 3.78Å; W68-L165 HydrophobicContact CE3-CD2 4.48Å; W68-L165 HydrophobicContact CG-CD1 3.49Å; W68-L165 VanDerWaalsContact CG-CD1 3.49Å; W68-L165 HydrophobicContact CH2-CD2 3.79Å; W68-L165 HydrophobicContact CZ2-CD1 4.18Å; W68-L165 HydrophobicContact CZ2-CD2 3.53Å; W68-L165 HydrophobicContact CZ2-CG 4.37Å; W68-L165 HydrophobicContact CZ3-CD1 4.36Å; W68-L165 HydrophobicContact CZ3-CD2 4.25Å | ||
| 69 | P | 91.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 70.3 Ų | 70.3 | 31% | 0.312 | 38% | 0.379 | S | S | . | . | trans | -65.9 | 130 | 172.3 | -21.6 | 36 | 0 | 0 | 0 | 111.7 | V71 L79 W166 | P69-V71 PolarHBondContact O-N 3.04Å; P69-L79 HydrophobicContact CB-CD1 4.46Å; P69-L79 HydrophobicContact CG-CD1 3.43Å; P69-L79 VanDerWaalsContact CG-CD1 3.43Å; P69-W166 PolarHBondContact O-NE1 2.87Å; P69-W166 VanDerWaalsContact O-NE1 3.13Å | ||
| 70 | E | 88.8 | Confident | 93.7 | Very high | 158 Ų | 158 | 67.1 Ų | 67.1 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -66.4 | -28 | 178.3 | -64.6 | 177.5 | 175 | 0 | 0 | 112.5 | W68 | W68-E70 PolarHBondContact O-N 3.32Š|
| 71 | V | 89.5 | Confident | 94.2 | Very high | 118 Ų | 118 | 60.5 Ų | 60.5 | 72% | 0.715 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -87.9 | 132.5 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | P69 V73 | P69-V71 PolarHBondContact O-N 3.04Å; V71-V73 PolarHBondContact O-N 2.84Å |
| 72 | E | 90.8 | Very high | 94.4 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 39% | 0.388 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 127.1 | 175.4 | -176.9 | 164.6 | -174.4 | 0 | 0 | 110.7 | W166 R170 | E72-W166 HydrophobicContact CB-CB 4.31Å; E72-W166 HydrophobicContact CB-CD2 3.95Å; E72-W166 HydrophobicContact CB-CE3 4.35Å; E72-W166 HydrophobicContact CB-CG 3.92Å; E72-W166 HydrophobicContact CG-CB 4.29Å; E72-W166 HydrophobicContact CG-CD2 3.79Å; E72-W166 HydrophobicContact CG-CE3 3.67Å; E72-W166 HydrophobicContact CG-CG 4.07Å; E72-W166 HydrophobicContact CG-CZ3 4.15Å; E72-R170 IonicContact OE1-NH2 3.94Å; E72-R170 IonicContact OE2-CZ 3.63Å; E72-R170 IonicContact OE2-NE 3.92Å; E72-R170 IonicContact OE2-NH2 3.6Å |
| 73 | V | 91.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 59 Ų | 59 | 16% | 0.164 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 130.9 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | V71 L79 L136 W166 | V71-V73 PolarHBondContact O-N 2.84Å; V73-L79 HydrophobicContact CG2-CD1 4.08Å; V73-L136 HydrophobicContact CB-CD2 4.49Å; V73-W166 HydrophobicContact CB-CH2 3.91Å; V73-W166 HydrophobicContact CB-CZ2 4.24Å; V73-W166 HydrophobicContact CG2-CH2 4.29Å; V73-W166 HydrophobicContact CG2-CZ2 4.15Å |
| 74 | P | 92.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 58.9 Ų | 58.9 | 63% | 0.63 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 155.6 | 177.1 | 26.7 | -35.1 | 0 | 0 | 0 | 111.1 | G77 | P74-G77 WeakPolarHBondContact O-CA 3.38Å; P74-G77 PolarHBondContact O-N 2Å |
| 75 | L | 93.4 | Very high | 94.8 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 145.3 | 169.3 | -64.4 | 177.7 | 0 | 0 | 0 | 110.1 | G77 L136 P138 | L75-G77 PolarHBondContact O-N 3.14Å; L75-L136 WeakPolarHBondContact CA-O 3.46Å; L75-L136 HydrophobicContact CD2-CG 4.35Å; L75-P138 HydrophobicContact CD1-CG 4.18Å; L75-P138 HydrophobicContact CD2-CG 4.49Å |
| 76 | N | 94.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 55.1 Ų | 55.1 | 57% | 0.567 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 0.3 | -170.3 | -49.2 | -47.3 | 0 | 0 | 0 | 116 | Q135 L136 | N76-Q135 HydrophobicContact CB-CG 4.07Å; N76-L136 PolarHBondContact N-O 2.92Å |
| 77 | G | 93.9 | Very high | 94.7 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | trans | -74.1 | 159.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P74 L75 L136 | P74-G77 WeakPolarHBondContact O-CA 3.38Å; P74-G77 PolarHBondContact O-N 2Å; L75-G77 PolarHBondContact O-N 3.14Å; G77-L136 WeakPolarHBondContact O-CB 3.45Å; G77-L136 PolarHBondContact O-N 2.82Å | ||
| 78 | T | 96.3 | Very high | 94.7 | Very high | 94 Ų | 94 | 56.2 Ų | 56.2 | 58% | 0.577 | 30% | 0.304 | S | S | * | . | trans | -85 | 137.6 | 172.4 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | L133 E134 | T78-L133 CarbonylContact C-O 3.48Å; T78-L133 WeakPolarHBondContact CA-O 3.36Å; T78-E134 WeakPolarHBondContact CA-O 3.31Å; T78-E134 PolarHBondContact OG1-O 2.98Å | ||
| 79 | L | 96.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.2 | -176.5 | 171.1 | 66.6 | 0 | 0 | 0 | 110 | P69 V73 L133 L136 L162 W166 | P69-L79 HydrophobicContact CB-CD1 4.46Å; P69-L79 HydrophobicContact CG-CD1 3.43Å; P69-L79 VanDerWaalsContact CG-CD1 3.43Å; V73-L79 HydrophobicContact CG2-CD1 4.08Å; L79-L133 HydrophobicContact CB-CB 4.3Å; L79-L133 HydrophobicContact CD2-CD2 4.37Å; L79-L133 PolarHBondContact N-O 2.81Å; L79-L133 PolarHBondContact O-N 2.95Å; L79-L136 HydrophobicContact CD2-CD1 4.35Å; L79-L162 HydrophobicContact CD2-CD1 3.33Å; L79-L162 HydrophobicContact CD2-CD2 3.64Å; L79-L162 HydrophobicContact CD2-CG 4.11Å; L79-W166 HydrophobicContact CD1-CH2 4.46Å; L79-W166 HydrophobicContact CD1-CZ2 4.25Å; L79-W166 HydrophobicContact CD2-CH2 3.96Å; L79-W166 HydrophobicContact CD2-CZ2 4.42Å |
| 80 | T | 97.6 | Very high | 94.7 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 35% | 0.35 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 124 | 173.8 | -58.2 | 0 | 0 | 0 | 0 | 110.1 | A130 L131 V132 | T80-A130 HydrophobicContact CG2-CB 3.98Å; T80-L131 WeakPolarHBondContact CA-O 3.32Å; T80-V132 HydrophobicContact CG2-CG2 4.24Å |
| 81 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 141.4 | 165 | -62.9 | 179.4 | 0 | 0 | 0 | 108.9 | W68 W97 A130 L131 F145 V160 L162 | W68-L81 HydrophobicContact CB-CD2 3.5Å; L81-W97 HydrophobicContact CB-CH2 3.74Å; L81-W97 HydrophobicContact CB-CZ2 4.06Å; L81-W97 HydrophobicContact CB-CZ3 4.46Å; L81-W97 HydrophobicContact CD1-CH2 4.38Å; L81-W97 HydrophobicContact CD1-CZ3 4.35Å; L81-A130 CarbonylContact O-C 3.53Å; L81-A130 WeakPolarHBondContact O-CA 3.1Å; L81-L131 HydrophobicContact CB-CB 4.31Å; L81-L131 HydrophobicContact CD1-CD2 4.32Å; L81-L131 PolarHBondContact N-O 3.13Å; L81-L131 PolarHBondContact O-N 3.32Å; L81-F145 HydrophobicContact CD1-CB 4.42Å; L81-F145 HydrophobicContact CD1-CD2 4.04Å; L81-F145 HydrophobicContact CD1-CG 4.34Å; L81-V160 HydrophobicContact CD1-CG1 3.94Å; L81-L162 HydrophobicContact CD1-CD2 4.31Å; L81-L162 HydrophobicContact CD2-CD2 3.91Å |
| 82 | S | 98.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 55 Ų | 55 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.1 | 177.8 | -60.8 | 0 | 0 | 0 | 0 | 109.9 | V66 T67 Y128 | V66-S82 CarbonylContact C-O 3.55Å; V66-S82 VanDerWaalsContact CA-O 3.28Å; V66-S82 WeakPolarHBondContact CA-O 3.4Å; T67-S82 PolarHBondContact N-O 2.87Å; T67-S82 PolarHBondContact O-N 2.83Å; T67-S82 WeakPolarHBondContact OG1-CB 3.43Å; S82-Y128 PolarHBondContact OG-OH 2.79Å |
| 83 | C | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.8 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | L64 E65 V66 L95 W97 Y128 K129 C147 | L64-C83 VanDerWaalsContact CD1-SG 3.57Å; E65-C83 CarbonylContact O-C 3.58Å; E65-C83 WeakPolarHBondContact O-CA 3.28Å; V66-C83 HydrophobicContact CG2-CB 4.35Å; C83-L95 HydrophobicContact CB-CD2 4.39Å; C83-W97 HydrophobicContact CB-CH2 4.08Å; C83-W97 HydrophobicContact CB-CZ2 3.42Å; C83-W97 VanDerWaalsContact CB-CZ2 3.42Å; C83-Y128 VanDerWaalsContact O-CA 3.31Å; C83-Y128 WeakPolarHBondContact O-CA 3.47Å; C83-K129 PolarHBondContact N-O 3.18Å; C83-K129 PolarHBondContact O-N 3.38Å; C83-C147 HydrophobicContact CB-CB 3.64Å; C83-C147 WeakPolarHBondContact CB-SG 3.2Å; C83-C147 WeakPolarHBondContact SG-CB 3.44Å; C83-C147 CovalentContact SG-SG 2Å; C83-C147 PolarHBondContact SG-SG 3.09Å |
| 84 | T | 97.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.9 | 172 | 56.2 | 0 | 0 | 0 | 0 | 110.5 | L64 E65 L127 Y128 | L64-T84 CarbonylContact C-O 3.48Å; L64-T84 WeakPolarHBondContact CA-O 3.46Å; E65-T84 PolarHBondContact N-O 3.03Å; E65-T84 PolarHBondContact O-N 2.84Å; T84-L127 VanDerWaalsContact CA-O 3.3Å; T84-L127 WeakPolarHBondContact CA-O 3.38Å; T84-Y128 HydrophobicContact CG2-CD2 3.77Å |
| 85 | A | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 169.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P62 L64 L95 R126 L127 L149 | P62-A85 CarbonylContact O-C 3.54Å; L64-A85 HydrophobicContact CD1-CB 3.68Å; A85-L95 HydrophobicContact CB-CD1 3.7Å; A85-R126 CarbonylContact O-C 3.53Å; A85-R126 VanDerWaalsContact O-CA 3.31Å; A85-R126 WeakPolarHBondContact O-CA 3.45Å; A85-R126 WeakPolarHBondContact O-CG 3.35Å; A85-L127 PolarHBondContact N-O 2.75Å; A85-L127 PolarHBondContact O-N 3.34Å; A85-L149 HydrophobicContact CB-CB 4.16Å; A85-L149 HydrophobicContact CB-CD1 3.98Å; A85-L149 HydrophobicContact CB-CD2 4.14Å; A85-L149 HydrophobicContact CB-CG 4.31Å |
| 86 | C | 96.1 | Very high | 96.2 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 14% | 0.142 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.3 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | C61 P62 A63 T125 L149 | C61-C86 VanDerWaalsContact CA-SG 3.54Å; C61-C86 HydrophobicContact CB-CB 3.8Å; C61-C86 WeakPolarHBondContact CB-SG 3.25Å; C61-C86 WeakPolarHBondContact SG-CB 3.46Å; C61-C86 CovalentContact SG-SG 2.04Å; C61-C86 PolarHBondContact SG-SG 3.34Å; P62-C86 WeakPolarHBondContact CA-O 3.42Å; P62-C86 PolarHBondContact O-N 2.75Å; A63-C86 HydrophobicContact CB-CB 4.19Å; C86-T125 WeakPolarHBondContact CA-O 3.39Å; C86-L149 WeakPolarHBondContact O-CD2 3.38Å |
| 87 | S | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.8 | 170 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | F89 G124 T125 D151 | S87-F89 PolarHBondContact O-N 3.24Å; S87-F89 PolarHBondContact OG-N 2.68Å; S87-F89 VanDerWaalsContact OG-N 3.09Å; S87-G124 CarbonylContact O-C 3.59Å; S87-G124 WeakPolarHBondContact O-CA 3.33Å; S87-T125 PolarHBondContact N-O 2.89Å; S87-T125 PolarHBondContact O-N 2.84Å; S87-D151 WeakPolarHBondContact CB-OD2 3.41Å; S87-D151 WeakPolarHBondContact OG-CB 3.48Å; S87-D151 PolarHBondContact OG-OD2 3.18Å |
| 88 | R | 95.4 | Very high | 96.7 | Very high | 115 Ų | 115 | 44.8 Ų | 44.8 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -76.4 | -5.9 | 171.3 | -60.9 | -176 | -170.7 | 129 | 2.5 | 112.4 | C61 P90 E153 | C61-R88 HydrophobicContact CB-CG 4.47Å; R88-P90 WeakPolarHBondContact O-CD 3.37Å; R88-E153 IonicContact NH1-OE1 3.52Å; R88-E153 IonicContact NH1-OE2 3.32Å; R88-E153 PolarHBondContact NH1-OE2 2.79Å |
| 89 | F | 95.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | trans | -110.7 | 86.1 | -176.2 | -58.7 | -87.9 | 0 | 0 | 0 | 110.2 | S87 N91 F92 S93 D151 P152 E153 | S87-F89 PolarHBondContact O-N 3.24Å; S87-F89 PolarHBondContact OG-N 2.68Å; S87-F89 VanDerWaalsContact OG-N 3.09Å; F89-N91 VanDerWaalsContact C-N 3.26Å; F89-N91 PolarHBondContact O-N 3.45Å; F89-N91 VanDerWaalsContact O-N 3.17Å; F89-F92 HydrophobicContact CB-CB 4.28Å; F89-F92 PolarHBondContact O-N 3.34Å; F89-S93 VanDerWaalsContact O-CB 3.32Å; F89-S93 WeakPolarHBondContact O-CB 3.4Å; F89-S93 PolarHBondContact O-N 3.46Å; F89-S93 PolarHBondContact O-OG 3.37Å; F89-D151 HydrophobicContact CB-CB 4.46Å; F89-D151 HydrophobicContact CD2-CB 4.14Å; F89-P152 HydrophobicContact CB-CG 4.23Å; F89-P152 HydrophobicContact CD1-CB 4.3Å; F89-P152 HydrophobicContact CD1-CG 3.76Å; F89-P152 HydrophobicContact CD2-CG 4.33Å; F89-P152 HydrophobicContact CE1-CB 4.18Å; F89-P152 HydrophobicContact CE1-CG 4.15Å; F89-P152 VanDerWaalsContact CG-CD 3.43Å; F89-P152 HydrophobicContact CG-CG 3.85Å; F89-P152 HydrophobicContact CZ-CB 4.32Å; F89-E153 HydrophobicContact CE2-CB 3.69Å; F89-E153 HydrophobicContact CZ-CB 4.23Å | ||
| 90 | P | 91.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 29% | 0.286 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -56.7 | -37.6 | -171.1 | 19.7 | -33.4 | 0 | 0 | 0 | 113.8 | R88 R118 T125 | R88-P90 WeakPolarHBondContact O-CD 3.37Å; P90-R118 PolarHBondContact O-NH1 2.87Å; P90-T125 WeakPolarHBondContact CA-OG1 3.2Å; P90-T125 VanDerWaalsContact CB-OG1 3.24Å; P90-T125 WeakPolarHBondContact CB-OG1 3.47Å |
| 91 | N | 92.3 | Very high | 96.8 | Very high | 125 Ų | 125 | 45.8 Ų | 45.8 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -103.1 | -14.2 | -173.2 | -60.3 | -34.5 | 0 | 0 | 0 | 113.6 | F89 | F89-N91 VanDerWaalsContact C-N 3.26Å; F89-N91 PolarHBondContact O-N 3.45Å; F89-N91 VanDerWaalsContact O-N 3.17Å |
| 92 | F | 95.3 | Very high | 96.8 | Very high | 158 Ų | 158 | 48.1 Ų | 48.1 | 69% | 0.693 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -117.7 | 27.3 | -173.7 | -60.7 | -77.6 | 0 | 0 | 0 | 112.2 | F89 P152 | F89-F92 HydrophobicContact CB-CB 4.28Å; F89-F92 PolarHBondContact O-N 3.34Å; F92-P152 HydrophobicContact CB-CG 3.76Å; F92-P152 VanDerWaalsContact O-CD 3.32Å; F92-P152 WeakPolarHBondContact O-CD 3.31Å |
| 93 | S | 96.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | trans | -117.5 | 146.3 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | F89 R118 M150 | F89-S93 VanDerWaalsContact O-CB 3.32Å; F89-S93 WeakPolarHBondContact O-CB 3.4Å; F89-S93 PolarHBondContact O-N 3.46Å; F89-S93 PolarHBondContact O-OG 3.37Å; S93-R118 PolarHBondContact O-NH1 3.5Å; S93-R118 PolarHBondContact O-NH2 3.47Å; S93-R118 PolarHBondContact OG-NH1 2.99Å; S93-M150 CarbonylContact C-O 3.49Å; S93-M150 VanDerWaalsContact CA-O 3.31Å; S93-M150 WeakPolarHBondContact CA-O 3.35Å | ||
| 94 | M | 97.1 | Very high | 96.8 | Very high | 126 Ų | 126 | 52 Ų | 52 | 62% | 0.621 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 140.4 | 175.8 | -63.7 | -175.1 | -176.3 | 0 | 0 | 109.8 | L149 M150 | M94-L149 WeakPolarHBondContact O-CA 3.21Å; M94-M150 PolarHBondContact N-O 3.37Å; M94-M150 PolarHBondContact O-N 2.96Å |
| 95 | L | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.2 | 171.4 | -169.3 | 70.4 | 0 | 0 | 0 | 106.5 | L64 C83 A85 T116 L127 K129 C147 V148 L149 | L64-L95 HydrophobicContact CD1-CD1 4.01Å; C83-L95 HydrophobicContact CB-CD2 4.39Å; A85-L95 HydrophobicContact CB-CD1 3.7Å; L95-T116 HydrophobicContact CB-CG2 4.34Å; L95-L127 HydrophobicContact CB-CB 4.04Å; L95-L127 HydrophobicContact CB-CD2 4.16Å; L95-L127 HydrophobicContact CD2-CB 3.88Å; L95-K129 HydrophobicContact CD2-CB 3.82Å; L95-K129 HydrophobicContact CG-CB 4.25Å; L95-K129 WeakPolarHBondContact O-CE 3.49Å; L95-C147 VanDerWaalsContact CD1-SG 3.54Å; L95-V148 WeakPolarHBondContact CA-O 3.41Å; L95-L149 HydrophobicContact CD1-CB 4.17Å; L95-L149 HydrophobicContact CD1-CD1 4.46Å |
| 96 | Y | 98.6 | Very high | 96.7 | Very high | 56 Ų | 56 | 62.8 Ų | 62.8 | 22% | 0.22 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 168.7 | -178.8 | 63.8 | -86.2 | 0 | 0 | 0 | 111.2 | L98 F103 E113 V148 M150 | Y96-L98 HydrophobicContact CD2-CD2 4.14Å; Y96-L98 HydrophobicContact CD2-CG 4.16Å; Y96-L98 HydrophobicContact CE2-CD1 4.06Å; Y96-L98 HydrophobicContact CE2-CD2 3.86Å; Y96-L98 HydrophobicContact CE2-CG 3.81Å; Y96-F103 HydrophobicContact CD2-CD1 4.46Å; Y96-F103 HydrophobicContact CD2-CE1 4.2Å; Y96-F103 HydrophobicContact CE2-CE1 4.16Å; Y96-E113 WeakPolarHBondContact CA-OE1 2.93Å; Y96-V148 HydrophobicContact CD1-CB 4.29Å; Y96-V148 HydrophobicContact CD2-CB 4.25Å; Y96-V148 HydrophobicContact CD2-CG2 4.5Å; Y96-V148 HydrophobicContact CE1-CB 3.84Å; Y96-V148 HydrophobicContact CE1-CG1 3.82Å; Y96-V148 HydrophobicContact CE2-CB 3.8Å; Y96-V148 HydrophobicContact CE2-CG1 4.26Å; Y96-V148 HydrophobicContact CE2-CG2 3.94Å; Y96-V148 HydrophobicContact CG-CB 4.48Å; Y96-V148 PolarHBondContact N-O 2.84Å; Y96-V148 PolarHBondContact O-N 2.76Å; Y96-V148 WeakPolarHBondContact OH-CG1 3.32Å; Y96-M150 HydrophobicContact CE1-CB 4.36Å |
| 97 | W | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 150.5 | 179.1 | -69.7 | 92.6 | 0 | 0 | 0 | 112 | V66 L81 C83 I104 E113 K129 L131 F145 S146 C147 V160 | V66-W97 HydrophobicContact CB-CH2 4.49Å; V66-W97 HydrophobicContact CG1-CH2 3.71Å; V66-W97 HydrophobicContact CG1-CZ3 4.36Å; V66-W97 HydrophobicContact CG2-CH2 3.98Å; V66-W97 HydrophobicContact CG2-CZ3 4.37Å; L81-W97 HydrophobicContact CB-CH2 3.74Å; L81-W97 HydrophobicContact CB-CZ2 4.06Å; L81-W97 HydrophobicContact CB-CZ3 4.46Å; L81-W97 HydrophobicContact CD1-CH2 4.38Å; L81-W97 HydrophobicContact CD1-CZ3 4.35Å; C83-W97 HydrophobicContact CB-CH2 4.08Å; C83-W97 HydrophobicContact CB-CZ2 3.42Å; C83-W97 VanDerWaalsContact CB-CZ2 3.42Å; W97-I104 HydrophobicContact CB-CD1 3.89Å; W97-I104 HydrophobicContact CB-CG1 3.62Å; W97-E113 HydrophobicContact CB-CG 3.92Å; W97-E113 HydrophobicContact CG-CG 4.32Å; W97-E113 PolarHBondContact N-OE1 3.37Å; W97-K129 PolarHBondContact NE1-O 3.22Å; W97-L131 HydrophobicContact CB-CD2 4.36Å; W97-L131 HydrophobicContact CD2-CB 3.72Å; W97-L131 HydrophobicContact CD2-CD2 3.92Å; W97-L131 HydrophobicContact CD2-CG 4.42Å; W97-L131 HydrophobicContact CE3-CB 4.32Å; W97-L131 HydrophobicContact CE3-CD2 3.81Å; W97-L131 HydrophobicContact CG-CB 3.87Å; W97-L131 HydrophobicContact CG-CD2 4.2Å; W97-L131 HydrophobicContact CG-CG 4.47Å; W97-L131 HydrophobicContact CZ2-CB 4.01Å; W97-L131 HydrophobicContact CZ3-CD2 4.32Å; W97-F145 HydrophobicContact CE3-CB 4.33Å; W97-F145 HydrophobicContact CZ3-CB 4.25Å; W97-S146 CarbonylContact C-O 3.51Å; W97-S146 WeakPolarHBondContact CA-O 3.45Å; W97-C147 HydrophobicContact CD2-CB 4.16Å; W97-C147 HydrophobicContact CE3-CB 3.93Å; W97-C147 HydrophobicContact CH2-CB 4.05Å; W97-C147 HydrophobicContact CZ2-CB 4.26Å; W97-C147 HydrophobicContact CZ3-CB 3.87Å; W97-V160 HydrophobicContact CZ3-CG1 4.31Å |
| 98 | L | 98.7 | Very high | 96.6 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 150.6 | 169.2 | -60.7 | 174.4 | 0 | 0 | 0 | 109.1 | Y96 S102 F103 F145 S146 V148 | Y96-L98 HydrophobicContact CD2-CD2 4.14Å; Y96-L98 HydrophobicContact CD2-CG 4.16Å; Y96-L98 HydrophobicContact CE2-CD1 4.06Å; Y96-L98 HydrophobicContact CE2-CD2 3.86Å; Y96-L98 HydrophobicContact CE2-CG 3.81Å; L98-S102 CarbonylContact C-O 3.49Å; L98-S102 VanDerWaalsContact CA-O 3.22Å; L98-S102 WeakPolarHBondContact CA-O 3.34Å; L98-F103 HydrophobicContact CD2-CD1 3.76Å; L98-F103 HydrophobicContact CD2-CE1 4.14Å; L98-F103 HydrophobicContact CD2-CG 4.21Å; L98-F145 CarbonylContact O-C 3.58Å; L98-F145 VanDerWaalsContact O-CA 3.25Å; L98-F145 WeakPolarHBondContact O-CA 3.39Å; L98-S146 PolarHBondContact N-O 2.92Å; L98-S146 PolarHBondContact O-N 2.78Å; L98-V148 HydrophobicContact CD1-CG2 3.9Å; L98-V148 HydrophobicContact CG-CG2 4.25Å |
| 99 | G | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G101 S102 | G99-G101 PolarHBondContact O-N 2.89Å; G99-G101 VanDerWaalsContact O-N 3.09Å; G99-S102 PolarHBondContact N-O 2.96Å; G99-S102 PolarHBondContact O-N 2.86Å |
| 100 | N | 97.3 | Very high | 96.5 | Very high | 114 Ų | 114 | 66.4 Ų | 66.4 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 33.4 | -174.2 | -61.5 | -22 | 0 | 0 | 0 | 113.3 | S102 N144 | N100-S102 VanDerWaalsContact C-N 3.33Å; N100-S102 PolarHBondContact O-N 3.35Å; N100-N144 PolarHBondContact N-O 2.95Å; N100-N144 PolarHBondContact OD1-N 2.89Å |
| 101 | G | 97.4 | Very high | 96.8 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 62% | 0.619 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 0.2 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | G99 | G99-G101 PolarHBondContact O-N 2.89Å; G99-G101 VanDerWaalsContact O-N 3.09Å |
| 102 | S | 97.9 | Very high | 97 | Very high | 48 Ų | 48 | 65.1 Ų | 65.1 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 151.9 | 176.1 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | L98 G99 N100 H106 | L98-S102 CarbonylContact C-O 3.49Å; L98-S102 VanDerWaalsContact CA-O 3.22Å; L98-S102 WeakPolarHBondContact CA-O 3.34Å; G99-S102 PolarHBondContact N-O 2.96Å; G99-S102 PolarHBondContact O-N 2.86Å; N100-S102 VanDerWaalsContact C-N 3.33Å; N100-S102 PolarHBondContact O-N 3.35Å; S102-H106 WeakPolarHBondContact OG-CB 3.2Å |
| 103 | F | 98.1 | Very high | 97.2 | Very high | 101 Ų | 101 | 59.8 Ų | 59.8 | 44% | 0.443 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 149.2 | 171.7 | -60.9 | -75.7 | 0 | 0 | 0 | 111.5 | Y96 L98 E105 H106 L107 | Y96-F103 HydrophobicContact CD2-CD1 4.46Å; Y96-F103 HydrophobicContact CD2-CE1 4.2Å; Y96-F103 HydrophobicContact CE2-CE1 4.16Å; L98-F103 HydrophobicContact CD2-CD1 3.76Å; L98-F103 HydrophobicContact CD2-CE1 4.14Å; L98-F103 HydrophobicContact CD2-CG 4.21Å; F103-E105 VanDerWaalsContact C-N 3.29Å; F103-E105 VanDerWaalsContact CB-CD 3.42Å; F103-E105 HydrophobicContact CB-CG 4.5Å; F103-E105 VanDerWaalsContact CB-OE1 3.29Å; F103-E105 WeakPolarHBondContact CB-OE1 3.31Å; F103-E105 VanDerWaalsContact CB-OE2 3.28Å; F103-E105 WeakPolarHBondContact CB-OE2 3.36Å; F103-E105 PolarHBondContact O-N 3.15Å; F103-H106 WeakPolarHBondContact O-CB 3.23Å; F103-H106 PolarHBondContact O-N 3.21Å; F103-L107 VanDerWaalsContact O-CD1 3.29Å; F103-L107 WeakPolarHBondContact O-CD1 3.48Å |
| 104 | I | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -59.9 | -37.2 | -169.7 | -62.9 | -55.3 | 0 | 0 | 0 | 112.5 | W97 H106 L107 L111 E113 L131 F145 | W97-I104 HydrophobicContact CB-CD1 3.89Å; W97-I104 HydrophobicContact CB-CG1 3.62Å; I104-H106 PolarHBondContact O-N 3.07Å; I104-H106 VanDerWaalsContact O-N 3.13Å; I104-L107 HydrophobicContact CD1-CD1 4.48Å; I104-L107 PolarHBondContact O-N 3.37Å; I104-L111 HydrophobicContact CG2-CD1 3.87Å; I104-L111 HydrophobicContact CG2-CG 3.7Å; I104-E113 HydrophobicContact CB-CG 3.92Å; I104-E113 HydrophobicContact CG1-CG 3.63Å; I104-E113 HydrophobicContact CG2-CG 4.27Å; I104-L131 HydrophobicContact CD1-CD1 4.02Å; I104-L131 HydrophobicContact CD1-CD2 4.2Å; I104-L131 HydrophobicContact CG1-CD1 3.98Å; I104-L131 HydrophobicContact CG2-CD1 3.79Å; I104-F145 HydrophobicContact CD1-CD1 4.38Å |
| 105 | E | 96.8 | Very high | 97.2 | Very high | 130 Ų | 130 | 59.6 Ų | 59.6 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -63 | -16.6 | 177.5 | 65.9 | -87 | -161.8 | 0 | 0 | 114.3 | F103 | F103-E105 VanDerWaalsContact C-N 3.29Å; F103-E105 VanDerWaalsContact CB-CD 3.42Å; F103-E105 HydrophobicContact CB-CG 4.5Å; F103-E105 VanDerWaalsContact CB-OE1 3.29Å; F103-E105 WeakPolarHBondContact CB-OE1 3.31Å; F103-E105 VanDerWaalsContact CB-OE2 3.28Å; F103-E105 WeakPolarHBondContact CB-OE2 3.36Å; F103-E105 PolarHBondContact O-N 3.15Å |
| 106 | H | 97.1 | Very high | 97.1 | Very high | 123 Ų | 123 | 61.8 Ų | 61.8 | 57% | 0.569 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -96.1 | -5.7 | 176.8 | -55.5 | 113.4 | 0 | 0 | 0 | 113 | S102 F103 I104 | S102-H106 WeakPolarHBondContact OG-CB 3.2Å; F103-H106 WeakPolarHBondContact O-CB 3.23Å; F103-H106 PolarHBondContact O-N 3.21Å; I104-H106 PolarHBondContact O-N 3.07Å; I104-H106 VanDerWaalsContact O-N 3.13Å |
| 107 | L | 96.2 | Very high | 97.1 | Very high | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.12 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -81.7 | 142.8 | 176.6 | -84.3 | 87 | 0 | 0 | 0 | 110.7 | F103 I104 L111 L140 T143 F145 | F103-L107 VanDerWaalsContact O-CD1 3.29Å; F103-L107 WeakPolarHBondContact O-CD1 3.48Å; I104-L107 HydrophobicContact CD1-CD1 4.48Å; I104-L107 PolarHBondContact O-N 3.37Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L107-L111 HydrophobicContact CB-CD2 4.18Å; L107-L140 HydrophobicContact CD2-CD2 4.41Å; L107-T143 HydrophobicContact CD2-CG2 3.8Å; L107-F145 HydrophobicContact CD2-CE1 4.46Å |
| 108 | P | 94.2 | Very high | 97 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 68% | 0.675 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -71 | 145.1 | 170.8 | 31.2 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 109 | G | 92.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 118.4 | -176.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 110 | Q | 95.1 | Very high | 96.6 | Very high | 102 Ų | 102 | 78.2 Ų | 78.2 | 48% | 0.477 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -101.5 | 89.4 | 177 | -65.1 | 175.2 | -1 | 0 | 0 | 108.6 | E134 Q135 | Q110-E134 HydrophobicContact CB-CB 3.9Å; Q110-E134 PolarHBondContact O-N 3.18Å; Q110-Q135 HydrophobicContact CB-CB 4.41Å |
| 111 | L | 96.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 75.2 Ų | 75.2 | 11% | 0.11 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 151.8 | 177.8 | 75.1 | 168.7 | 0 | 0 | 0 | 111.2 | I104 L107 L131 V132 L133 L140 F145 | I104-L111 HydrophobicContact CG2-CD1 3.87Å; I104-L111 HydrophobicContact CG2-CG 3.7Å; L107-L111 HydrophobicContact CB-CD1 4.42Å; L107-L111 HydrophobicContact CB-CD2 4.18Å; L111-L131 HydrophobicContact CD1-CD1 4.44Å; L111-V132 CarbonylContact C-O 3.59Å; L111-V132 WeakPolarHBondContact CA-O 3.46Å; L111-V132 WeakPolarHBondContact CB-O 3.35Å; L111-L133 HydrophobicContact CB-CG 4.21Å; L111-L140 HydrophobicContact CD1-CD2 3.91Å; L111-L140 HydrophobicContact CD2-CD1 4.48Å; L111-L140 HydrophobicContact CD2-CD2 4.39Å; L111-F145 HydrophobicContact CD1-CE1 3.96Å; L111-F145 HydrophobicContact CD1-CZ 4.42Å |
| 112 | W | 97.9 | Very high | 95.4 | Very high | 121 Ų | 121 | 78.5 Ų | 78.5 | 46% | 0.458 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 155.9 | 179.7 | 54.7 | -90.2 | 0 | 0 | 0 | 112.6 | V132 E134 | W112-V132 HydrophobicContact CD2-CB 4.12Å; W112-V132 HydrophobicContact CD2-CG2 4.44Å; W112-V132 HydrophobicContact CH2-CB 4.4Å; W112-V132 HydrophobicContact CH2-CG2 3.82Å; W112-V132 HydrophobicContact CZ2-CB 3.84Å; W112-V132 HydrophobicContact CZ2-CG1 4.02Å; W112-V132 HydrophobicContact CZ2-CG2 3.71Å; W112-V132 HydrophobicContact CZ3-CG2 4.27Å; W112-V132 PolarHBondContact N-O 3.41Å; W112-V132 PolarHBondContact O-N 3.37Å; W112-E134 PolarHBondContact NE1-OE1 3.46Å |
| 113 | E | 98.1 | Very high | 94.8 | Very high | 46 Ų | 46 | 81.7 Ų | 81.7 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 127.7 | 173.7 | -68.7 | -174.5 | 71.6 | 0 | 0 | 111.3 | Y96 W97 I104 K129 L131 | Y96-E113 WeakPolarHBondContact CA-OE1 2.93Å; W97-E113 HydrophobicContact CB-CG 3.92Å; W97-E113 HydrophobicContact CG-CG 4.32Å; W97-E113 PolarHBondContact N-OE1 3.37Å; I104-E113 HydrophobicContact CB-CG 3.92Å; I104-E113 HydrophobicContact CG1-CG 3.63Å; I104-E113 HydrophobicContact CG2-CG 4.27Å; E113-K129 HydrophobicContact CB-CD 4.25Å; E113-K129 WeakPolarHBondContact OE1-CD 3.36Å; E113-L131 HydrophobicContact CG-CD1 4.36Å |
| 114 | G | 96.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 77.6 Ų | 77.6 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 164.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K129 A130 | G114-K129 WeakPolarHBondContact O-CG 3.47Å; G114-K129 PolarHBondContact O-NZ 3.38Å; G114-A130 PolarHBondContact N-O 2.89Å |
| 115 | S | 96.9 | Very high | 94.4 | Very high | 115 Ų | 115 | 77.7 Ų | 77.7 | 80% | 0.804 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 140 | 172.9 | -61.2 | 0 | 0 | 0 | 0 | 111 | S117 | S115-S117 PolarHBondContact O-N 3.26Š|
| 116 | T | 97.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 78 Ų | 78 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 118.1 | 175.4 | -49.9 | 0 | 0 | 0 | 0 | 109.5 | L95 L127 Y128 K129 | L95-T116 HydrophobicContact CB-CG2 4.34Å; T116-L127 HydrophobicContact CG2-CB 4.38Å; T116-L127 HydrophobicContact CG2-CD2 4.14Å; T116-Y128 CarbonylContact C-O 3.54Å; T116-Y128 WeakPolarHBondContact CA-O 3Å; T116-K129 WeakPolarHBondContact OG1-CE 2.77Å; T116-K129 PolarHBondContact OG1-NZ 3.39Å |
| 117 | S | 97.1 | Very high | 94.4 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 49% | 0.49 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 143.4 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | S115 L127 Y128 | S115-S117 PolarHBondContact O-N 3.26Å; S117-L127 WeakPolarHBondContact O-CA 3.35Å; S117-Y128 PolarHBondContact N-O 3.44Å; S117-Y128 PolarHBondContact O-N 3.15Å |
| 118 | R | 96.8 | Very high | 94.5 | Very high | 99 Ų | 99 | 75.4 Ų | 75.4 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 128.8 | -179.5 | -62.8 | -177.6 | -174 | -115.7 | -6.9 | 110 | P90 S93 T125 R126 | P90-R118 PolarHBondContact O-NH1 2.87Å; S93-R118 PolarHBondContact O-NH1 3.5Å; S93-R118 PolarHBondContact O-NH2 3.47Å; S93-R118 PolarHBondContact OG-NH1 2.99Å; R118-T125 HydrophobicContact CB-CG2 4.08Å; R118-R126 WeakPolarHBondContact CA-O 3.47Å |
| 119 | E | 95.8 | Very high | 94.7 | Very high | 132 Ų | 132 | 71.5 Ų | 71.5 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.4 | 174.3 | -174 | -177.9 | -174.1 | 0 | 0 | 109 | T125 R126 | E119-T125 CarbonylContact O-C 3.53Å; E119-T125 WeakPolarHBondContact O-CA 3Å; E119-R126 HydrophobicContact CB-CB 4.33Å; E119-R126 PolarHBondContact N-O 2.85Å; E119-R126 PolarHBondContact O-N 2.91Å |
| 120 | H | 93.1 | Very high | 95 | Very high | 124 Ų | 124 | 69.8 Ų | 69.8 | 57% | 0.574 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 117.7 | -177.8 | -67.1 | 83.3 | 0 | 0 | 0 | 110 | T125 | H120-T125 PolarHBondContact CD2-OG1 2.83Å; H120-T125 VanDerWaalsContact CD2-OG1 3.28Å |
| 121 | G | 86.7 | Confident | 95.1 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 53% | 0.526 | 35% | 0.354 | S | S | . | . | trans | -107.1 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T123 G124 | G121-T123 VanDerWaalsContact C-N 3.33Å; G121-T123 PolarHBondContact O-N 2.88Å; G121-G124 CarbonylContact C-O 3.54Å; G121-G124 VanDerWaalsContact CA-O 3.29Å; G121-G124 WeakPolarHBondContact CA-O 3.32Å; G121-G124 PolarHBondContact N-O 2.69Å | ||
| 122 | S | 83.6 | Confident | 95.2 | Very high | 129 Ų | 129 | 64.8 Ų | 64.8 | 90% | 0.902 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -71.6 | -25.2 | 178.4 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 123 | T | 85.1 | Confident | 95.2 | Very high | 115 Ų | 115 | 59 Ų | 59 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -111 | -2.7 | -175.4 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | G121 | G121-T123 VanDerWaalsContact C-N 3.33Å; G121-T123 PolarHBondContact O-N 2.88Å |
| 124 | G | 92.3 | Very high | 95.1 | Very high | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | trans | 162.4 | 176 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S87 G121 | S87-G124 CarbonylContact O-C 3.59Å; S87-G124 WeakPolarHBondContact O-CA 3.33Å; G121-G124 CarbonylContact C-O 3.54Å; G121-G124 VanDerWaalsContact CA-O 3.29Å; G121-G124 WeakPolarHBondContact CA-O 3.32Å; G121-G124 PolarHBondContact N-O 2.69Å | ||
| 125 | T | 95.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.025 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.6 | 173.4 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | C86 S87 P90 R118 E119 H120 L127 | C86-T125 WeakPolarHBondContact CA-O 3.39Å; S87-T125 PolarHBondContact N-O 2.89Å; S87-T125 PolarHBondContact O-N 2.84Å; P90-T125 WeakPolarHBondContact CA-OG1 3.2Å; P90-T125 VanDerWaalsContact CB-OG1 3.24Å; P90-T125 WeakPolarHBondContact CB-OG1 3.47Å; R118-T125 HydrophobicContact CB-CG2 4.08Å; E119-T125 CarbonylContact O-C 3.53Å; E119-T125 WeakPolarHBondContact O-CA 3Å; H120-T125 PolarHBondContact CD2-OG1 2.83Å; H120-T125 VanDerWaalsContact CD2-OG1 3.28Å; T125-L127 WeakPolarHBondContact O-CD1 3.45Å |
| 126 | R | 96.6 | Very high | 95 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.5 | 170.7 | -164.4 | 176.5 | -167.5 | 169 | 2.7 | 109.1 | A85 R118 E119 | A85-R126 CarbonylContact O-C 3.53Å; A85-R126 VanDerWaalsContact O-CA 3.31Å; A85-R126 WeakPolarHBondContact O-CA 3.45Å; A85-R126 WeakPolarHBondContact O-CG 3.35Å; R118-R126 WeakPolarHBondContact CA-O 3.47Å; E119-R126 HydrophobicContact CB-CB 4.33Å; E119-R126 PolarHBondContact N-O 2.85Å; E119-R126 PolarHBondContact O-N 2.91Å |
| 127 | L | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.8 | 174.3 | -59 | 97 | 0 | 0 | 0 | 108.9 | T84 A85 L95 T116 S117 T125 L149 | T84-L127 VanDerWaalsContact CA-O 3.3Å; T84-L127 WeakPolarHBondContact CA-O 3.38Å; A85-L127 PolarHBondContact N-O 2.75Å; A85-L127 PolarHBondContact O-N 3.34Å; L95-L127 HydrophobicContact CB-CB 4.04Å; L95-L127 HydrophobicContact CB-CD2 4.16Å; L95-L127 HydrophobicContact CD2-CB 3.88Å; T116-L127 HydrophobicContact CG2-CB 4.38Å; T116-L127 HydrophobicContact CG2-CD2 4.14Å; S117-L127 WeakPolarHBondContact O-CA 3.35Å; T125-L127 WeakPolarHBondContact O-CD1 3.45Å; L127-L149 HydrophobicContact CD1-CD1 4.08Å |
| 128 | Y | 98.1 | Very high | 94.9 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 37% | 0.365 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.3 | 172.9 | 170 | -87.8 | 0 | 0 | 0 | 109.9 | S82 C83 T84 T116 S117 A130 | S82-Y128 PolarHBondContact OG-OH 2.79Å; C83-Y128 VanDerWaalsContact O-CA 3.31Å; C83-Y128 WeakPolarHBondContact O-CA 3.47Å; T84-Y128 HydrophobicContact CG2-CD2 3.77Å; T116-Y128 CarbonylContact C-O 3.54Å; T116-Y128 WeakPolarHBondContact CA-O 3Å; S117-Y128 PolarHBondContact N-O 3.44Å; S117-Y128 PolarHBondContact O-N 3.15Å; Y128-A130 HydrophobicContact CE1-CB 4.33Å |
| 129 | K | 98.6 | Very high | 94.9 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 129.6 | 172.5 | -176 | -179.3 | -79.3 | -75.8 | 0 | 110.9 | C83 L95 W97 E113 G114 T116 | C83-K129 PolarHBondContact N-O 3.18Å; C83-K129 PolarHBondContact O-N 3.38Å; L95-K129 HydrophobicContact CD2-CB 3.82Å; L95-K129 HydrophobicContact CG-CB 4.25Å; L95-K129 WeakPolarHBondContact O-CE 3.49Å; W97-K129 PolarHBondContact NE1-O 3.22Å; E113-K129 HydrophobicContact CB-CD 4.25Å; E113-K129 WeakPolarHBondContact OE1-CD 3.36Å; G114-K129 WeakPolarHBondContact O-CG 3.47Å; G114-K129 PolarHBondContact O-NZ 3.38Å; T116-K129 WeakPolarHBondContact OG1-CE 2.77Å; T116-K129 PolarHBondContact OG1-NZ 3.39Å |
| 130 | A | 98.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 148 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T80 L81 G114 Y128 | T80-A130 HydrophobicContact CG2-CB 3.98Å; L81-A130 CarbonylContact O-C 3.53Å; L81-A130 WeakPolarHBondContact O-CA 3.1Å; G114-A130 PolarHBondContact N-O 2.89Å; Y128-A130 HydrophobicContact CE1-CB 4.33Å |
| 131 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.7 | 162.2 | 171.6 | 62.8 | 0 | 0 | 0 | 107.1 | T80 L81 W97 I104 L111 E113 L133 F145 | T80-L131 WeakPolarHBondContact CA-O 3.32Å; L81-L131 HydrophobicContact CB-CB 4.31Å; L81-L131 HydrophobicContact CD1-CD2 4.32Å; L81-L131 PolarHBondContact N-O 3.13Å; L81-L131 PolarHBondContact O-N 3.32Å; W97-L131 HydrophobicContact CB-CD2 4.36Å; W97-L131 HydrophobicContact CD2-CB 3.72Å; W97-L131 HydrophobicContact CD2-CD2 3.92Å; W97-L131 HydrophobicContact CD2-CG 4.42Å; W97-L131 HydrophobicContact CE3-CB 4.32Å; W97-L131 HydrophobicContact CE3-CD2 3.81Å; W97-L131 HydrophobicContact CG-CB 3.87Å; W97-L131 HydrophobicContact CG-CD2 4.2Å; W97-L131 HydrophobicContact CG-CG 4.47Å; W97-L131 HydrophobicContact CZ2-CB 4.01Å; W97-L131 HydrophobicContact CZ3-CD2 4.32Å; I104-L131 HydrophobicContact CD1-CD1 4.02Å; I104-L131 HydrophobicContact CD1-CD2 4.2Å; I104-L131 HydrophobicContact CG1-CD1 3.98Å; I104-L131 HydrophobicContact CG2-CD1 3.79Å; L111-L131 HydrophobicContact CD1-CD1 4.44Å; E113-L131 HydrophobicContact CG-CD1 4.36Å; L131-L133 HydrophobicContact CD2-CD1 4.27Å; L131-L133 HydrophobicContact CG-CD1 3.91Å; L131-F145 HydrophobicContact CD2-CB 4.42Å; L131-F145 HydrophobicContact CD2-CD1 3.51Å; L131-F145 HydrophobicContact CD2-CE1 3.87Å; L131-F145 HydrophobicContact CD2-CG 4Å |
| 132 | V | 98.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.9 | -178 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | T80 L111 W112 E134 | T80-V132 HydrophobicContact CG2-CG2 4.24Å; L111-V132 CarbonylContact C-O 3.59Å; L111-V132 WeakPolarHBondContact CA-O 3.46Å; L111-V132 WeakPolarHBondContact CB-O 3.35Å; W112-V132 HydrophobicContact CD2-CB 4.12Å; W112-V132 HydrophobicContact CD2-CG2 4.44Å; W112-V132 HydrophobicContact CH2-CB 4.4Å; W112-V132 HydrophobicContact CH2-CG2 3.82Å; W112-V132 HydrophobicContact CZ2-CB 3.84Å; W112-V132 HydrophobicContact CZ2-CG1 4.02Å; W112-V132 HydrophobicContact CZ2-CG2 3.71Å; W112-V132 HydrophobicContact CZ3-CG2 4.27Å; W112-V132 PolarHBondContact N-O 3.41Å; W112-V132 PolarHBondContact O-N 3.37Å; V132-E134 HydrophobicContact CG1-CG 4.32Å |
| 133 | L | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 102.1 | 168.4 | -70.4 | 73.1 | 0 | 0 | 0 | 105.9 | T78 L79 L111 L131 Q135 L136 L140 F145 L162 | T78-L133 CarbonylContact C-O 3.48Å; T78-L133 WeakPolarHBondContact CA-O 3.36Å; L79-L133 HydrophobicContact CB-CB 4.3Å; L79-L133 HydrophobicContact CD2-CD2 4.37Å; L79-L133 PolarHBondContact N-O 2.81Å; L79-L133 PolarHBondContact O-N 2.95Å; L111-L133 HydrophobicContact CB-CG 4.21Å; L131-L133 HydrophobicContact CD2-CD1 4.27Å; L131-L133 HydrophobicContact CG-CD1 3.91Å; L133-Q135 PolarHBondContact O-N 3.38Å; L133-L136 HydrophobicContact CD2-CD1 3.96Å; L133-L140 HydrophobicContact CD2-CB 3.9Å; L133-L140 HydrophobicContact CD2-CD1 4.05Å; L133-L140 HydrophobicContact CG-CD1 4.32Å; L133-F145 HydrophobicContact CD1-CZ 4.47Å; L133-F145 HydrophobicContact CD2-CE2 4.17Å; L133-F145 HydrophobicContact CD2-CZ 3.96Å; L133-L162 HydrophobicContact CD2-CD1 4.1Å |
| 134 | E | 97.2 | Very high | 96.8 | Very high | 88 Ų | 88 | 38.6 Ų | 38.6 | 41% | 0.411 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -64.4 | -35.5 | 179.9 | -59.9 | -175.6 | 165.4 | 0 | 0 | 110.7 | T78 Q110 W112 V132 | T78-E134 WeakPolarHBondContact CA-O 3.31Å; T78-E134 PolarHBondContact OG1-O 2.98Å; Q110-E134 HydrophobicContact CB-CB 3.9Å; Q110-E134 PolarHBondContact O-N 3.18Å; W112-E134 PolarHBondContact NE1-OE1 3.46Å; V132-E134 HydrophobicContact CG1-CG 4.32Å |
| 135 | Q | 95.5 | Very high | 97.1 | Very high | 70 Ų | 70 | 37.9 Ų | 37.9 | 33% | 0.327 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -133.6 | 112 | 177 | -170.1 | 179.1 | 71.3 | 0 | 0 | 111.2 | N76 Q110 L133 T137 | N76-Q135 HydrophobicContact CB-CG 4.07Å; Q110-Q135 HydrophobicContact CB-CB 4.41Å; L133-Q135 PolarHBondContact O-N 3.38Å; Q135-T137 PolarHBondContact O-N 2.87Å; Q135-T137 VanDerWaalsContact O-N 3.12Å |
| 136 | L | 95.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | trans | -73.1 | 101.4 | 174.8 | -177.9 | 62.9 | 0 | 0 | 0 | 111.3 | V73 L75 N76 G77 L79 L133 L140 H141 L162 W166 | V73-L136 HydrophobicContact CB-CD2 4.49Å; L75-L136 WeakPolarHBondContact CA-O 3.46Å; L75-L136 HydrophobicContact CD2-CG 4.35Å; N76-L136 PolarHBondContact N-O 2.92Å; G77-L136 WeakPolarHBondContact O-CB 3.45Å; G77-L136 PolarHBondContact O-N 2.82Å; L79-L136 HydrophobicContact CD2-CD1 4.35Å; L133-L136 HydrophobicContact CD2-CD1 3.96Å; L136-L140 HydrophobicContact CD1-CB 4.37Å; L136-H141 HydrophobicContact CD1-CB 4.07Å; L136-L162 HydrophobicContact CD1-CD1 3.73Å; L136-W166 HydrophobicContact CD2-CH2 3.9Å; L136-W166 HydrophobicContact CD2-CZ3 3.83Å | ||
| 137 | T | 96.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 16% | 0.16 | 18% | 0.178 | C | C | . | . | trans | -89.5 | 161.7 | 174.5 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | Q135 A139 L140 H141 | Q135-T137 PolarHBondContact O-N 2.87Å; Q135-T137 VanDerWaalsContact O-N 3.12Å; T137-A139 PolarHBondContact O-N 3.17Å; T137-L140 PolarHBondContact O-N 3.09Å; T137-L140 VanDerWaalsContact O-N 3.16Å; T137-L140 WeakPolarHBondContact OG1-CG 3.28Å; T137-L140 PolarHBondContact OG1-N 3.36Å; T137-H141 WeakPolarHBondContact O-CB 3.36Å; T137-H141 PolarHBondContact O-N 3.49Å | ||
| 138 | P | 95.9 | Very high | 97.4 | Very high | 88 Ų | 88 | 31.5 Ų | 31.5 | 57% | 0.571 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -55.3 | -36.5 | 173.3 | -27.1 | 35.3 | 0 | 0 | 0 | 113.5 | L75 S142 | L75-P138 HydrophobicContact CD1-CG 4.18Å; L75-P138 HydrophobicContact CD2-CG 4.49Å; P138-S142 PolarHBondContact O-N 3.31Å |
| 139 | A | 95.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 27.1 Ų | 27.1 | 52% | 0.521 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.9 | -49.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T137 H141 S142 T143 | T137-A139 PolarHBondContact O-N 3.17Å; A139-H141 VanDerWaalsContact C-N 3.29Å; A139-H141 PolarHBondContact O-N 3.47Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 VanDerWaalsContact O-N 3.17Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 VanDerWaalsContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.23Å |
| 140 | L | 96.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.2 | -32.2 | 178.9 | -65.9 | -178.2 | 0 | 0 | 0 | 112.7 | L107 L111 L133 L136 T137 S142 T143 F145 | L107-L140 HydrophobicContact CD2-CD2 4.41Å; L111-L140 HydrophobicContact CD1-CD2 3.91Å; L111-L140 HydrophobicContact CD2-CD1 4.48Å; L111-L140 HydrophobicContact CD2-CD2 4.39Å; L133-L140 HydrophobicContact CD2-CB 3.9Å; L133-L140 HydrophobicContact CD2-CD1 4.05Å; L133-L140 HydrophobicContact CG-CD1 4.32Å; L136-L140 HydrophobicContact CD1-CB 4.37Å; T137-L140 PolarHBondContact O-N 3.09Å; T137-L140 VanDerWaalsContact O-N 3.16Å; T137-L140 WeakPolarHBondContact OG1-CG 3.28Å; T137-L140 PolarHBondContact OG1-N 3.36Å; L140-S142 PolarHBondContact O-N 3.25Å; L140-T143 WeakPolarHBondContact CA-OG1 3.32Å; L140-T143 WeakPolarHBondContact O-CB 3.21Å; L140-T143 PolarHBondContact O-N 3.3Å; L140-F145 HydrophobicContact CB-CZ 4.42Å; L140-F145 HydrophobicContact CD2-CZ 4.15Å; L140-F145 WeakPolarHBondContact O-CE2 3.46Å |
| 141 | H | 95.7 | Very high | 97.3 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 17% | 0.167 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -30.4 | 175.5 | -173.6 | -122.7 | 0 | 0 | 0 | 113.2 | L136 T137 A139 A163 W166 | L136-H141 HydrophobicContact CD1-CB 4.07Å; T137-H141 WeakPolarHBondContact O-CB 3.36Å; T137-H141 PolarHBondContact O-N 3.49Å; A139-H141 VanDerWaalsContact C-N 3.29Å; A139-H141 PolarHBondContact O-N 3.47Å; H141-A163 WeakPolarHBondContact NE2-CA 3.23Å; H141-A163 WeakPolarHBondContact O-CB 3.17Å; H141-A163 PolarHBondContact O-N 3.2Å; H141-W166 AromaticContact CD2-CE3 3.85Å; H141-W166 AromaticContact CD2-CZ3 3.57Å; H141-W166 AromaticContact NE2-CE3 3.37Å; H141-W166 AromaticContact NE2-CZ3 3.58Å |
| 142 | S | 96.3 | Very high | 97.3 | Very high | 78 Ų | 78 | 34.6 Ų | 34.6 | 55% | 0.545 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -100.9 | -0.3 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 114.1 | P138 A139 L140 | P138-S142 PolarHBondContact O-N 3.31Å; A139-S142 PolarHBondContact O-N 3.47Å; A139-S142 VanDerWaalsContact O-N 3.17Å; L140-S142 PolarHBondContact O-N 3.25Å |
| 143 | T | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | trans | -65.6 | 137.8 | 177.3 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | L107 A139 L140 F145 | L107-T143 HydrophobicContact CD2-CG2 3.8Å; A139-T143 PolarHBondContact O-N 3.09Å; A139-T143 VanDerWaalsContact O-N 3.08Å; A139-T143 PolarHBondContact O-OG1 3.23Å; L140-T143 WeakPolarHBondContact CA-OG1 3.32Å; L140-T143 WeakPolarHBondContact O-CB 3.21Å; L140-T143 PolarHBondContact O-N 3.3Å; T143-F145 HydrophobicContact CG2-CD1 3.77Å; T143-F145 HydrophobicContact CG2-CD2 4.22Å; T143-F145 HydrophobicContact CG2-CE1 3.55Å; T143-F145 HydrophobicContact CG2-CE2 4.03Å; T143-F145 HydrophobicContact CG2-CG 4.11Å; T143-F145 HydrophobicContact CG2-CZ 3.7Å; T143-F145 PolarHBondContact O-N 3.32Å | ||
| 144 | N | 98 | Very high | 97 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 93.2 | 168.1 | -175.6 | -6 | 0 | 0 | 0 | 109.3 | N100 H159 I161 | N100-N144 PolarHBondContact N-O 2.95Å; N100-N144 PolarHBondContact OD1-N 2.89Å; N144-H159 WeakPolarHBondContact OD1-CB 3.31Å; N144-H159 PolarHBondContact OD1-ND1 3.24Å; N144-H159 VanDerWaalsContact OD1-ND1 3.16Å; N144-I161 HydrophobicContact CB-CD1 4.2Å; N144-I161 HydrophobicContact CB-CG1 3.95Å |
| 145 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 138.6 | 172.9 | -62.3 | -71 | 0 | 0 | 0 | 109.7 | L81 W97 L98 I104 L107 L111 L131 L133 L140 T143 H159 V160 L162 | L81-F145 HydrophobicContact CD1-CB 4.42Å; L81-F145 HydrophobicContact CD1-CD2 4.04Å; L81-F145 HydrophobicContact CD1-CG 4.34Å; W97-F145 HydrophobicContact CE3-CB 4.33Å; W97-F145 HydrophobicContact CZ3-CB 4.25Å; L98-F145 CarbonylContact O-C 3.58Å; L98-F145 VanDerWaalsContact O-CA 3.25Å; L98-F145 WeakPolarHBondContact O-CA 3.39Å; I104-F145 HydrophobicContact CD1-CD1 4.38Å; L107-F145 HydrophobicContact CD2-CE1 4.46Å; L111-F145 HydrophobicContact CD1-CE1 3.96Å; L111-F145 HydrophobicContact CD1-CZ 4.42Å; L131-F145 HydrophobicContact CD2-CB 4.42Å; L131-F145 HydrophobicContact CD2-CD1 3.51Å; L131-F145 HydrophobicContact CD2-CE1 3.87Å; L131-F145 HydrophobicContact CD2-CG 4Å; L133-F145 HydrophobicContact CD1-CZ 4.47Å; L133-F145 HydrophobicContact CD2-CE2 4.17Å; L133-F145 HydrophobicContact CD2-CZ 3.96Å; L140-F145 HydrophobicContact CB-CZ 4.42Å; L140-F145 HydrophobicContact CD2-CZ 4.15Å; L140-F145 WeakPolarHBondContact O-CE2 3.46Å; T143-F145 HydrophobicContact CG2-CD1 3.77Å; T143-F145 HydrophobicContact CG2-CD2 4.22Å; T143-F145 HydrophobicContact CG2-CE1 3.55Å; T143-F145 HydrophobicContact CG2-CE2 4.03Å; T143-F145 HydrophobicContact CG2-CG 4.11Å; T143-F145 HydrophobicContact CG2-CZ 3.7Å; T143-F145 PolarHBondContact O-N 3.32Å; F145-H159 CarbonylContact O-C 3.6Å; F145-H159 VanDerWaalsContact O-CA 3.31Å; F145-H159 WeakPolarHBondContact O-CA 3.39Å; F145-V160 HydrophobicContact CB-CG1 3.72Å; F145-V160 PolarHBondContact N-O 3.47Å; F145-V160 PolarHBondContact O-N 3.49Å; F145-L162 HydrophobicContact CE2-CD1 4.09Å |
| 146 | S | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121 | 177.2 | -44.7 | 0 | 0 | 0 | 0 | 108.2 | W97 L98 R158 H159 | W97-S146 CarbonylContact C-O 3.51Å; W97-S146 WeakPolarHBondContact CA-O 3.45Å; L98-S146 PolarHBondContact N-O 2.92Å; L98-S146 PolarHBondContact O-N 2.78Å; S146-R158 WeakPolarHBondContact CA-O 3.37Å; S146-H159 PolarHBondContact OG-CE1 2.65Å; S146-H159 PolarHBondContact OG-ND1 2.94Å |
| 147 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133 | 163.3 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | V66 C83 L95 W97 Q157 R158 | V66-C147 HydrophobicContact CG2-CB 3.66Å; C83-C147 HydrophobicContact CB-CB 3.64Å; C83-C147 WeakPolarHBondContact CB-SG 3.2Å; C83-C147 WeakPolarHBondContact SG-CB 3.44Å; C83-C147 CovalentContact SG-SG 2Å; C83-C147 PolarHBondContact SG-SG 3.09Å; L95-C147 VanDerWaalsContact CD1-SG 3.54Å; W97-C147 HydrophobicContact CD2-CB 4.16Å; W97-C147 HydrophobicContact CE3-CB 3.93Å; W97-C147 HydrophobicContact CH2-CB 4.05Å; W97-C147 HydrophobicContact CZ2-CB 4.26Å; W97-C147 HydrophobicContact CZ3-CB 3.87Å; C147-Q157 CarbonylContact O-C 3.55Å; C147-Q157 WeakPolarHBondContact O-CA 3.24Å; C147-R158 PolarHBondContact N-O 3.44Å; C147-R158 PolarHBondContact O-N 3.17Å |
| 148 | V | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.3 | -176 | -171.7 | 0 | 0 | 0 | 0 | 110 | L95 Y96 L98 V155 V156 Q157 | L95-V148 WeakPolarHBondContact CA-O 3.41Å; Y96-V148 HydrophobicContact CD1-CB 4.29Å; Y96-V148 HydrophobicContact CD2-CB 4.25Å; Y96-V148 HydrophobicContact CD2-CG2 4.5Å; Y96-V148 HydrophobicContact CE1-CB 3.84Å; Y96-V148 HydrophobicContact CE1-CG1 3.82Å; Y96-V148 HydrophobicContact CE2-CB 3.8Å; Y96-V148 HydrophobicContact CE2-CG1 4.26Å; Y96-V148 HydrophobicContact CE2-CG2 3.94Å; Y96-V148 HydrophobicContact CG-CB 4.48Å; Y96-V148 PolarHBondContact N-O 2.84Å; Y96-V148 PolarHBondContact O-N 2.76Å; Y96-V148 WeakPolarHBondContact OH-CG1 3.32Å; L98-V148 HydrophobicContact CD1-CG2 3.9Å; L98-V148 HydrophobicContact CG-CG2 4.25Å; V148-V155 HydrophobicContact CG1-CG1 3.69Å; V148-V156 WeakPolarHBondContact CA-O 3.47Å; V148-Q157 HydrophobicContact CG1-CB 4.48Å; V148-Q157 HydrophobicContact CG2-CB 3.92Å |
| 149 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.4 | 162.5 | 175.8 | 74 | 0 | 0 | 0 | 108.3 | P62 L64 A85 C86 M94 L95 L127 V155 V156 | P62-L149 HydrophobicContact CB-CD2 3.5Å; L64-L149 HydrophobicContact CD1-CB 4.28Å; A85-L149 HydrophobicContact CB-CB 4.16Å; A85-L149 HydrophobicContact CB-CD1 3.98Å; A85-L149 HydrophobicContact CB-CD2 4.14Å; A85-L149 HydrophobicContact CB-CG 4.31Å; C86-L149 WeakPolarHBondContact O-CD2 3.38Å; M94-L149 WeakPolarHBondContact O-CA 3.21Å; L95-L149 HydrophobicContact CD1-CB 4.17Å; L95-L149 HydrophobicContact CD1-CD1 4.46Å; L127-L149 HydrophobicContact CD1-CD1 4.08Å; L149-V155 CarbonylContact O-C 3.57Å; L149-V155 WeakPolarHBondContact O-CA 3.36Å; L149-V156 PolarHBondContact N-O 3.28Å; L149-V156 PolarHBondContact O-N 2.95Å |
| 150 | M | 98.3 | Very high | 97.5 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 46% | 0.463 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.2 | 169.3 | 173.2 | 173.9 | -174.5 | 0 | 0 | 109.3 | S93 M94 Y96 V155 | S93-M150 CarbonylContact C-O 3.49Å; S93-M150 VanDerWaalsContact CA-O 3.31Å; S93-M150 WeakPolarHBondContact CA-O 3.35Å; M94-M150 PolarHBondContact N-O 3.37Å; M94-M150 PolarHBondContact O-N 2.96Å; Y96-M150 HydrophobicContact CE1-CB 4.36Å; M150-V155 HydrophobicContact CB-CG2 4.22Å; M150-V155 HydrophobicContact CG-CG2 3.95Å |
| 151 | D | 97.5 | Very high | 97.5 | Very high | 14 Ų | 14 | 50 Ų | 50 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | trans | -143.9 | 178.3 | 170.7 | 72.6 | 22.1 | 0 | 0 | 0 | 110.4 | S87 F89 E153 Q154 | S87-D151 WeakPolarHBondContact CB-OD2 3.41Å; S87-D151 WeakPolarHBondContact OG-CB 3.48Å; S87-D151 PolarHBondContact OG-OD2 3.18Å; F89-D151 HydrophobicContact CB-CB 4.46Å; F89-D151 HydrophobicContact CD2-CB 4.14Å; D151-E153 PolarHBondContact O-N 3.17Å; D151-E153 PolarHBondContact OD1-N 3.39Å; D151-Q154 PolarHBondContact N-O 2.92Å; D151-Q154 PolarHBondContact O-N 2.82Å; D151-Q154 VanDerWaalsContact O-O 3.13Å; D151-Q154 WeakPolarHBondContact OD1-CG 3.42Å; D151-Q154 PolarHBondContact OD1-N 2.82Å | ||
| 152 | P | 97.8 | Very high | 97.5 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -65.3 | -18.3 | -176.7 | -23.7 | 36.7 | 0 | 0 | 0 | 114.8 | F89 F92 | F89-P152 HydrophobicContact CB-CG 4.23Å; F89-P152 HydrophobicContact CD1-CB 4.3Å; F89-P152 HydrophobicContact CD1-CG 3.76Å; F89-P152 HydrophobicContact CD2-CG 4.33Å; F89-P152 HydrophobicContact CE1-CB 4.18Å; F89-P152 HydrophobicContact CE1-CG 4.15Å; F89-P152 VanDerWaalsContact CG-CD 3.43Å; F89-P152 HydrophobicContact CG-CG 3.85Å; F89-P152 HydrophobicContact CZ-CB 4.32Å; F92-P152 HydrophobicContact CB-CG 3.76Å; F92-P152 VanDerWaalsContact O-CD 3.32Å; F92-P152 WeakPolarHBondContact O-CD 3.31Å |
| 153 | E | 95.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 45.9 Ų | 45.9 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -90.5 | -33.5 | 179.7 | -176.5 | 173 | -177.3 | 0 | 0 | 110.5 | R88 F89 D151 | R88-E153 IonicContact NH1-OE1 3.52Å; R88-E153 IonicContact NH1-OE2 3.32Å; R88-E153 PolarHBondContact NH1-OE2 2.79Å; F89-E153 HydrophobicContact CE2-CB 3.69Å; F89-E153 HydrophobicContact CZ-CB 4.23Å; D151-E153 PolarHBondContact O-N 3.17Å; D151-E153 PolarHBondContact OD1-N 3.39Å |
| 154 | Q | 94.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 51.7 Ų | 51.7 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | trans | -163.3 | 162.3 | -167.7 | 51.3 | -177.7 | 67.9 | 0 | 0 | 115.3 | P62 D151 V156 | P62-Q154 VanDerWaalsContact CB-NE2 3.34Å; D151-Q154 PolarHBondContact N-O 2.92Å; D151-Q154 PolarHBondContact O-N 2.82Å; D151-Q154 VanDerWaalsContact O-O 3.13Å; D151-Q154 WeakPolarHBondContact OD1-CG 3.42Å; D151-Q154 PolarHBondContact OD1-N 2.82Å; Q154-V156 HydrophobicContact CB-CG2 4.36Å; Q154-V156 HydrophobicContact CG-CG2 4.33Å | ||
| 155 | V | 97.8 | Very high | 96.8 | Very high | 85 Ų | 85 | 51 Ų | 51 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 122.3 | 162.4 | -177.2 | 0 | 0 | 0 | 0 | 108 | V148 L149 M150 | V148-V155 HydrophobicContact CG1-CG1 3.69Å; L149-V155 CarbonylContact O-C 3.57Å; L149-V155 WeakPolarHBondContact O-CA 3.36Å; M150-V155 HydrophobicContact CB-CG2 4.22Å; M150-V155 HydrophobicContact CG-CG2 3.95Å |
| 156 | V | 97.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 138.1 | 179.3 | -177.3 | 0 | 0 | 0 | 0 | 109 | P62 L64 V148 L149 Q154 | P62-V156 HydrophobicContact CG-CG2 4.27Å; L64-V156 HydrophobicContact CD2-CB 4.38Å; L64-V156 HydrophobicContact CD2-CG1 3.94Å; L64-V156 WeakPolarHBondContact CD2-O 3.3Å; V148-V156 WeakPolarHBondContact CA-O 3.47Å; L149-V156 PolarHBondContact N-O 3.28Å; L149-V156 PolarHBondContact O-N 2.95Å; Q154-V156 HydrophobicContact CB-CG2 4.36Å; Q154-V156 HydrophobicContact CG-CG2 4.33Å |
| 157 | Q | 98.1 | Very high | 95.9 | Very high | 99 Ų | 99 | 52.9 Ų | 52.9 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.1 | -178.8 | 67.1 | -169.5 | 39.9 | 0 | 0 | 112.4 | C147 V148 H159 | C147-Q157 CarbonylContact O-C 3.55Å; C147-Q157 WeakPolarHBondContact O-CA 3.24Å; V148-Q157 HydrophobicContact CG1-CB 4.48Å; V148-Q157 HydrophobicContact CG2-CB 3.92Å; Q157-H159 PolarHBondContact NE2-CE1 2.89Å; Q157-H159 PolarHBondContact NE2-NE2 2.7Å |
| 158 | R | 98.2 | Very high | 95.2 | Very high | 154 Ų | 154 | 54.4 Ų | 54.4 | 58% | 0.581 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.2 | 173.9 | -174.6 | 67.8 | 178.8 | -170.7 | -0.7 | 109.6 | L64 V66 S146 C147 | L64-R158 HydrophobicContact CD2-CB 3.9Å; L64-R158 HydrophobicContact CG-CB 4.17Å; V66-R158 HydrophobicContact CB-CG 4.5Å; V66-R158 HydrophobicContact CG2-CB 4.13Å; V66-R158 HydrophobicContact CG2-CG 4.11Å; S146-R158 WeakPolarHBondContact CA-O 3.37Å; C147-R158 PolarHBondContact N-O 3.44Å; C147-R158 PolarHBondContact O-N 3.17Å |
| 159 | H | 97.8 | Very high | 94.4 | Very high | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.398 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147.6 | 179.9 | -62.6 | -71.5 | 0 | 0 | 0 | 112.1 | N144 F145 S146 Q157 | N144-H159 WeakPolarHBondContact OD1-CB 3.31Å; N144-H159 PolarHBondContact OD1-ND1 3.24Å; N144-H159 VanDerWaalsContact OD1-ND1 3.16Å; F145-H159 CarbonylContact O-C 3.6Å; F145-H159 VanDerWaalsContact O-CA 3.31Å; F145-H159 WeakPolarHBondContact O-CA 3.39Å; S146-H159 PolarHBondContact OG-CE1 2.65Å; S146-H159 PolarHBondContact OG-ND1 2.94Å; Q157-H159 PolarHBondContact NE2-CE1 2.89Å; Q157-H159 PolarHBondContact NE2-NE2 2.7Å |
| 160 | V | 97.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 131.3 | 173.3 | 66.8 | 0 | 0 | 0 | 0 | 110.3 | V66 W68 L81 W97 F145 L165 | V66-V160 HydrophobicContact CG1-CB 4.42Å; V66-V160 HydrophobicContact CG1-CG1 4.12Å; W68-V160 HydrophobicContact CE3-CG2 4.49Å; L81-V160 HydrophobicContact CD1-CG1 3.94Å; W97-V160 HydrophobicContact CZ3-CG1 4.31Å; F145-V160 HydrophobicContact CB-CG1 3.72Å; F145-V160 PolarHBondContact N-O 3.47Å; F145-V160 PolarHBondContact O-N 3.49Å; V160-L165 HydrophobicContact CG2-CD1 3.08Å; V160-L165 HydrophobicContact CG2-CD2 4.24Å; V160-L165 HydrophobicContact CG2-CG 3.78Å |
| 161 | I | 96.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 114.6 | 172.8 | -62.7 | 165 | 0 | 0 | 0 | 106.7 | N144 A163 Q164 L165 | N144-I161 HydrophobicContact CB-CD1 4.2Å; N144-I161 HydrophobicContact CB-CG1 3.95Å; I161-A163 VanDerWaalsContact C-N 3.31Å; I161-A163 HydrophobicContact CG2-CB 4.34Å; I161-A163 PolarHBondContact O-N 3.44Å; I161-Q164 HydrophobicContact CB-CB 4.28Å; I161-Q164 HydrophobicContact CB-CG 4.03Å; I161-Q164 HydrophobicContact CG2-CB 4.45Å; I161-Q164 HydrophobicContact CG2-CG 3.92Å; I161-Q164 PolarHBondContact O-N 3.44Å; I161-L165 PolarHBondContact O-N 3.16Å; I161-L165 VanDerWaalsContact O-N 3.13Å |
| 162 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.5 | -44.9 | -172.9 | -64 | 170.6 | 0 | 0 | 0 | 112.3 | L79 L81 L133 L136 F145 Q164 L165 W166 | L79-L162 HydrophobicContact CD2-CD1 3.33Å; L79-L162 HydrophobicContact CD2-CD2 3.64Å; L79-L162 HydrophobicContact CD2-CG 4.11Å; L81-L162 HydrophobicContact CD1-CD2 4.31Å; L81-L162 HydrophobicContact CD2-CD2 3.91Å; L133-L162 HydrophobicContact CD2-CD1 4.1Å; L136-L162 HydrophobicContact CD1-CD1 3.73Å; F145-L162 HydrophobicContact CE2-CD1 4.09Å; L162-Q164 PolarHBondContact O-N 2.86Å; L162-L165 PolarHBondContact O-N 2.04Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L162-W166 HydrophobicContact CB-CE3 4.4Å; L162-W166 HydrophobicContact CB-CZ3 4.22Å; L162-W166 PolarHBondContact O-N 3.26Å; L162-W166 VanDerWaalsContact O-N 3.14Å |
| 163 | A | 93.3 | Very high | 89.2 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.2 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H141 I161 A167 | H141-A163 WeakPolarHBondContact NE2-CA 3.23Å; H141-A163 WeakPolarHBondContact O-CB 3.17Å; H141-A163 PolarHBondContact O-N 3.2Å; I161-A163 VanDerWaalsContact C-N 3.31Å; I161-A163 HydrophobicContact CG2-CB 4.34Å; I161-A163 PolarHBondContact O-N 3.44Å; A163-A167 VanDerWaalsContact O-CB 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.19Å; A163-A167 PolarHBondContact O-N 3.3Å |
| 164 | Q | 94.2 | Very high | 87.2 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 60% | 0.603 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -77.7 | -37.7 | 179.7 | -64.6 | 179.2 | -6.2 | 0 | 0 | 111.8 | I161 L162 A167 G168 | I161-Q164 HydrophobicContact CB-CB 4.28Å; I161-Q164 HydrophobicContact CB-CG 4.03Å; I161-Q164 HydrophobicContact CG2-CB 4.45Å; I161-Q164 HydrophobicContact CG2-CG 3.92Å; I161-Q164 PolarHBondContact O-N 3.44Å; L162-Q164 PolarHBondContact O-N 2.86Å; Q164-A167 PolarHBondContact O-N 3.34Å; Q164-G168 PolarHBondContact O-N 3.2Å |
| 165 | L | 91.4 | Very high | 85.3 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 18% | 0.183 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.8 | -51.3 | 178.7 | -68.6 | -179.9 | 0 | 0 | 0 | 111.9 | W68 V160 I161 L162 A167 G168 L169 | W68-L165 HydrophobicContact CB-CD1 4.17Å; W68-L165 HydrophobicContact CD2-CD1 3.33Å; W68-L165 HydrophobicContact CD2-CD2 4.28Å; W68-L165 HydrophobicContact CD2-CG 4.35Å; W68-L165 HydrophobicContact CE3-CD1 3.78Å; W68-L165 HydrophobicContact CE3-CD2 4.48Å; W68-L165 HydrophobicContact CG-CD1 3.49Å; W68-L165 VanDerWaalsContact CG-CD1 3.49Å; W68-L165 HydrophobicContact CH2-CD2 3.79Å; W68-L165 HydrophobicContact CZ2-CD1 4.18Å; W68-L165 HydrophobicContact CZ2-CD2 3.53Å; W68-L165 HydrophobicContact CZ2-CG 4.37Å; W68-L165 HydrophobicContact CZ3-CD1 4.36Å; W68-L165 HydrophobicContact CZ3-CD2 4.25Å; V160-L165 HydrophobicContact CG2-CD1 3.08Å; V160-L165 HydrophobicContact CG2-CD2 4.24Å; V160-L165 HydrophobicContact CG2-CG 3.78Å; I161-L165 PolarHBondContact O-N 3.16Å; I161-L165 VanDerWaalsContact O-N 3.13Å; L162-L165 PolarHBondContact O-N 2.04Å; L162-L165 VanDerWaalsContact O-N 3.14Å; L165-A167 VanDerWaalsContact C-N 3.35Å; L165-G168 PolarHBondContact O-N 3.45Å; L165-L169 PolarHBondContact O-N 3.5Å |
| 166 | W | 89.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 76 Ų | 76 | 1% | 0.011 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -74.3 | -26.1 | -178.8 | -65.9 | -43.1 | 0 | 0 | 0 | 112.8 | P69 E72 V73 L79 L136 H141 L162 R170 | P69-W166 PolarHBondContact O-NE1 2.87Å; P69-W166 VanDerWaalsContact O-NE1 3.13Å; E72-W166 HydrophobicContact CB-CB 4.31Å; E72-W166 HydrophobicContact CB-CD2 3.95Å; E72-W166 HydrophobicContact CB-CE3 4.35Å; E72-W166 HydrophobicContact CB-CG 3.92Å; E72-W166 HydrophobicContact CG-CB 4.29Å; E72-W166 HydrophobicContact CG-CD2 3.79Å; E72-W166 HydrophobicContact CG-CE3 3.67Å; E72-W166 HydrophobicContact CG-CG 4.07Å; E72-W166 HydrophobicContact CG-CZ3 4.15Å; V73-W166 HydrophobicContact CB-CH2 3.91Å; V73-W166 HydrophobicContact CB-CZ2 4.24Å; V73-W166 HydrophobicContact CG2-CH2 4.29Å; V73-W166 HydrophobicContact CG2-CZ2 4.15Å; L79-W166 HydrophobicContact CD1-CH2 4.46Å; L79-W166 HydrophobicContact CD1-CZ2 4.25Å; L79-W166 HydrophobicContact CD2-CH2 3.96Å; L79-W166 HydrophobicContact CD2-CZ2 4.42Å; L136-W166 HydrophobicContact CD2-CH2 3.9Å; L136-W166 HydrophobicContact CD2-CZ3 3.83Å; H141-W166 AromaticContact CD2-CE3 3.85Å; H141-W166 AromaticContact CD2-CZ3 3.57Å; H141-W166 AromaticContact NE2-CE3 3.37Å; H141-W166 AromaticContact NE2-CZ3 3.58Å; L162-W166 HydrophobicContact CB-CE3 4.4Å; L162-W166 HydrophobicContact CB-CZ3 4.22Å; L162-W166 PolarHBondContact O-N 3.26Å; L162-W166 VanDerWaalsContact O-N 3.14Å; W166-R170 WeakPolarHBondContact O-CG 3.29Å; W166-R170 PolarHBondContact O-N 2.84Å; W166-R170 PolarHBondContact O-NE 2.56Å |
| 167 | A | 88.3 | Confident | 80.9 | Confident | 43 Ų | 43 | 82.6 Ų | 82.6 | 36% | 0.355 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 166 | 0 | 0 | 0 | 0 | 0 | 111.4 | A163 Q164 L165 R170 T171 | A163-A167 VanDerWaalsContact O-CB 3.23Å; A163-A167 WeakPolarHBondContact O-CB 3.19Å; A163-A167 PolarHBondContact O-N 3.3Å; Q164-A167 PolarHBondContact O-N 3.34Å; L165-A167 VanDerWaalsContact C-N 3.35Å; A167-R170 PolarHBondContact O-N 3.21Å; A167-T171 PolarHBondContact O-N 2.8Å |
| 168 | G | 84 | Confident | 78.3 | Confident | 32 Ų | 32 | 86.5 Ų | 86.5 | 33% | 0.33 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q164 L165 R170 T171 T172 | Q164-G168 PolarHBondContact O-N 3.2Å; L165-G168 PolarHBondContact O-N 3.45Å; G168-R170 VanDerWaalsContact C-N 3.31Å; G168-R170 PolarHBondContact O-N 3.49Å; G168-T171 PolarHBondContact O-N 3.47Å; G168-T171 PolarHBondContact O-OG1 3.09Å; G168-T172 PolarHBondContact O-N 2.95Å; G168-T172 PolarHBondContact O-OG1 3.18Å |
| 169 | L | 80.9 | Confident | 75.8 | Confident | 62 Ų | 62 | 83.3 Ų | 83.3 | 33% | 0.325 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 176.9 | -83.6 | 149.2 | 0 | 0 | 0 | 113.1 | L165 T171 T172 L173 | L165-L169 PolarHBondContact O-N 3.5Å; L169-T171 VanDerWaalsContact C-N 3.27Å; L169-T171 PolarHBondContact O-N 3.15Å; L169-T172 WeakPolarHBondContact CA-OG1 3.3Å; L169-T172 PolarHBondContact O-N 3.45Å; L169-T172 PolarHBondContact O-OG1 3.5Å; L169-L173 PolarHBondContact O-N 3.34Å |
| 170 | R | 79.1 | Confident | 72.9 | Confident | 158 Ų | 158 | 86 Ų | 86 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.5 | -30 | 175.1 | -78.1 | -175.8 | -78.4 | -164.8 | -13.2 | 113.1 | E72 W166 A167 G168 | E72-R170 IonicContact OE1-NH2 3.94Å; E72-R170 IonicContact OE2-CZ 3.63Å; E72-R170 IonicContact OE2-NE 3.92Å; E72-R170 IonicContact OE2-NH2 3.6Å; W166-R170 WeakPolarHBondContact O-CG 3.29Å; W166-R170 PolarHBondContact O-N 2.84Å; W166-R170 PolarHBondContact O-NE 2.56Å; A167-R170 PolarHBondContact O-N 3.21Å; G168-R170 VanDerWaalsContact C-N 3.31Å; G168-R170 PolarHBondContact O-N 3.49Å |
| 171 | T | 76.5 | Confident | 70.1 | Confident | 118 Ų | 118 | 91.4 Ų | 91.4 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -81.6 | -23.1 | 178.8 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | A167 G168 L169 | A167-T171 PolarHBondContact O-N 2.8Å; G168-T171 PolarHBondContact O-N 3.47Å; G168-T171 PolarHBondContact O-OG1 3.09Å; L169-T171 VanDerWaalsContact C-N 3.27Å; L169-T171 PolarHBondContact O-N 3.15Å |
| 172 | T | 70.6 | Confident | 67.3 | Low | 108 Ų | 108 | 93.9 Ų | 93.9 | 66% | 0.663 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -89.6 | -20 | 178.3 | 37.4 | 0 | 0 | 0 | 0 | 113.8 | G168 L169 | G168-T172 PolarHBondContact O-N 2.95Å; G168-T172 PolarHBondContact O-OG1 3.18Å; L169-T172 WeakPolarHBondContact CA-OG1 3.3Å; L169-T172 PolarHBondContact O-N 3.45Å; L169-T172 PolarHBondContact O-OG1 3.5Å |
| 173 | L | 58.6 | Low | 64.6 | Low | 118 Ų | 118 | 98.9 Ų | 98.9 | 62% | 0.618 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -70.3 | 123.1 | 167.6 | -165.6 | 79.5 | 0 | 0 | 0 | 108.3 | L169 | L169-L173 PolarHBondContact O-N 3.34Š|
| 174 | P | 52.3 | Low | 62 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 61% | 0.61 | 60% | 0.603 | S | S | * | * | trans | -56.3 | 141.6 | 170.8 | 23.7 | -30.7 | 0 | 0 | 0 | 107.9 | T176 | P174-T176 VanDerWaalsContact C-N 3.34Å; P174-T176 PolarHBondContact O-N 3.01Å | ||
| 175 | P | 55 | Low | 59.2 | Low | 122 Ų | 122 | 104.8 Ų | 104.8 | 79% | 0.792 | 61% | 0.608 | S | S | * | * | trans | -61.1 | 104.7 | 176.4 | 25.8 | -30.7 | 0 | 0 | 0 | 106.4 | Q177 | P175-Q177 PolarHBondContact O-N 3.4Š| ||
| 176 | T | 52.5 | Low | 56.7 | Low | 118 Ų | 118 | 109.1 Ų | 109.1 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | trans | -54.5 | 114.7 | 162.1 | -58.3 | 0 | 0 | 0 | 0 | 104 | P174 E178 | P174-T176 VanDerWaalsContact C-N 3.34Å; P174-T176 PolarHBondContact O-N 3.01Å; T176-E178 PolarHBondContact O-N 3.17Å | ||
| 177 | Q | 50.5 | Low | 54.1 | Low | 185 Ų | 185 | 112.2 Ų | 112.2 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -60.4 | 88.4 | -176.3 | -146.6 | 155.7 | -11.3 | 0 | 0 | 106.7 | P175 A179 | P175-Q177 PolarHBondContact O-N 3.4Å; Q177-A179 PolarHBondContact O-N 2.99Å | ||
| 178 | E | 44.1 | Very low | 52.1 | Low | 182 Ų | 182 | 115.9 Ų | 115.9 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | trans | -59.1 | 102.3 | 160.2 | -83.2 | -169.9 | 145.9 | 0 | 0 | 103.9 | T176 L180 | T176-E178 PolarHBondContact O-N 3.17Å; E178-L180 PolarHBondContact O-N 3.27Å | ||
| 179 | A | 44.3 | Very low | 49.8 | Very low | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | trans | -50.6 | 109.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q177 P181 | Q177-A179 PolarHBondContact O-N 2.99Å; A179-P181 WeakPolarHBondContact O-CD 3.36Å; A179-P181 VanDerWaalsContact O-N 3.11Å | ||
| 180 | L | 37 | Very low | 47.7 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | -36.8 | 116.7 | 167.1 | -154.9 | 126 | 0 | 0 | 0 | 107.7 | E178 S182 | E178-L180 PolarHBondContact O-N 3.27Å; L180-S182 PolarHBondContact O-N 3.37Å | ||
| 181 | P | 40 | Very low | 45.8 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -61.6 | 110.3 | 167.4 | 23.1 | -28.3 | 0 | 0 | 0 | 105.2 | A179 S183 | A179-P181 WeakPolarHBondContact O-CD 3.36Å; A179-P181 VanDerWaalsContact O-N 3.11Å; P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 3.28Å | ||
| 182 | S | 36.8 | Very low | 43.9 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | trans | -59 | 101.8 | 174.1 | 50.3 | 0 | 0 | 0 | 0 | 107.1 | L180 H184 | L180-S182 PolarHBondContact O-N 3.37Å; S182-H184 PolarHBondContact O-N 3.2Å | ||
| 183 | S | 37.7 | Very low | 42.4 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -63.6 | 90 | 168.3 | 48 | 0 | 0 | 0 | 0 | 107.7 | P181 S185 | P181-S183 VanDerWaalsContact C-N 3.32Å; P181-S183 PolarHBondContact O-N 3.28Å; S183-S185 PolarHBondContact O-N 3.33Å | ||
| 184 | H | 40.1 | Very low | 41.2 | Very low | 181 Ų | 181 | 126 Ų | 126 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | trans | -69.3 | 82.8 | 160.5 | -86.4 | -74.7 | 0 | 0 | 0 | 107.9 | S182 T186 | S182-H184 PolarHBondContact O-N 3.2Å; H184-T186 PolarHBondContact O-N 3.25Å | ||
| 185 | S | 35 | Very low | 40.4 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -77.4 | 113 | 166.3 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | S183 | S183-S185 PolarHBondContact O-N 3.33Š| ||
| 186 | T | 37.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 24.1 | 107.8 | 141.9 | -36.7 | 0 | 0 | 0 | 0 | 116.3 | H184 | H184-T186 PolarHBondContact O-N 3.25Š| ||
| 187 | G | 35.8 | Very low | 38.8 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -63.6 | 160.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 188 | P | 46.1 | Very low | 38.3 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -124.4 | 139.1 | 139.8 | 33.9 | -22.8 | 0 | 0 | 0 | 108.3 | ||||
| 189 | Q | 35.7 | Very low | 38 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -179.7 | 102.2 | 133.1 | -81.1 | -115.3 | -22.6 | 0 | 0 | 107.7 | ||||
| 190 | Q | 36.8 | Very low | 37.7 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 127 | 168.6 | 180 | 162.8 | -73.5 | 0 | 0 | 108.2 | ||
| 191 | P | 39.8 | Very low | 37.7 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 133 | 158.3 | -5.3 | 24.3 | 0 | 0 | 0 | 110.1 | ||
| 192 | T | 36.2 | Very low | 38.5 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 139.8 | 178.7 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 193 | A | 37.5 | Very low | 38.7 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 64.4 | 115.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 194 | A | 35.2 | Very low | 38.7 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | -179.2 | 142.9 | 108.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 195 | G | 34.6 | Very low | 38.8 | Very low | 76 Ų | 76 | 123.6 Ų | 123.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 117 | 91.6 | 151.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 196 | L | 35.8 | Very low | 39.2 | Very low | 154 Ų | 154 | 130 Ų | 130 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -30 | 139.9 | 155.4 | -84.7 | 70.7 | 0 | 0 | 0 | 113.9 | ||||
| 197 | R | 38.4 | Very low | 40 | Very low | 249 Ų | 249 | 133.6 Ų | 133.6 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | -162.3 | 125.6 | 115.2 | -107.5 | 179.2 | -174.4 | -171.6 | 2.5 | 112.6 | |||||
| 198 | L | 40.3 | Very low | 40.2 | Very low | 155 Ų | 155 | 136.8 Ų | 136.8 | 81% | 0.812 | 84% | 0.837 | S | S | * | * | trans | -57.5 | 145.9 | 168.7 | -72.8 | 80.2 | 0 | 0 | 0 | 111.1 | ||||
| 199 | S | 38.3 | Very low | 39.9 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | -178.1 | 105.9 | 124.1 | -167.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 200 | T | 37.4 | Very low | 40.1 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 89% | 0.89 | 84% | 0.838 | S | S | * | * | trans | -169.7 | 113.7 | 138.1 | 2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 201 | G | 37.5 | Very low | 40.3 | Very low | 66 Ų | 66 | 132.4 Ų | 132.4 | 68% | 0.68 | 84% | 0.839 | S | S | * | * | trans | -91.7 | -159.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 202 | P | 55.2 | Low | 40.3 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 87% | 0.87 | 84% | 0.842 | S | S | * | * | -127.1 | 160.7 | -55.2 | 36.9 | -24.9 | 0 | 0 | 0 | 111.8 | |||||
| 203 | A | 40.7 | Very low | 40.6 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 79% | 0.785 | 85% | 0.848 | S | S | * | * | trans | -176.5 | 105.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 204 | A | 39.2 | Very low | 40.8 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 84% | 0.843 | 86% | 0.855 | S | S | * | * | 70.3 | 133.2 | 93.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 205 | A | 40.8 | Very low | 41.3 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 71% | 0.711 | 85% | 0.853 | S | S | * | * | cis | -173.1 | 167.2 | -7.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 206 | R | 43.5 | Very low | 41.8 | Very low | 237 Ų | 237 | 144.4 Ų | 144.4 | 89% | 0.894 | 86% | 0.858 | S | S | * | * | trans | 89.9 | 154.7 | 151.8 | -64.8 | 179.2 | 173.5 | 175.8 | -1.9 | 120.7 | ||||
| 207 | P | 54.9 | Low | 42.4 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 100% | 1.292 | 86% | 0.863 | S | S | * | * | cis | -107.3 | 0 | -6 | 30.2 | -13.7 | 0 | 0 | 0 | 114.9 |
Retrieved 207 of 207 residues in 323.6 ms
(Link to these results)