| 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 | 24.1 | Very low | 29.1 | Very low | 228 Ų | 228 | 126.4 Ų | 126.4 | 100% | 1.123 | 64% | 0.639 | S | S | * | * | 0 | 105.9 | 0 | -82.6 | -68.9 | -177.1 | 0 | 0 | 109.4 | |||||
| 2 | Q | 25.7 | Very low | 29.5 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | trans | 23.7 | 120.2 | 149.4 | -62.4 | 168.4 | 6 | 0 | 0 | 117.5 | R41 | Q2-R41 VanDerWaalsContact C-NH2 3.32Å; Q2-R41 PolarHBondContact O-NH2 2.99Å | ||
| 3 | G | 27.5 | Very low | 29.7 | Very low | 62 Ų | 62 | 132.8 Ų | 132.8 | 64% | 0.639 | 66% | 0.662 | S | S | * | * | trans | -75.5 | 140 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | C5 R41 | G3-C5 PolarHBondContact O-N 3.46Å; G3-R41 PolarHBondContact O-NE 3.42Å; G3-R41 PolarHBondContact O-NH1 3.39Å; G3-R41 PolarHBondContact O-NH2 2.88Å | ||
| 4 | L | 31.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 61% | 0.613 | 65% | 0.651 | S | S | * | * | trans | -51.1 | 123 | 171.2 | -110 | 77.1 | 0 | 0 | 0 | 112.2 | R41 C43 | L4-R41 CarbonylContact C-O 3.34Å; L4-R41 VanDerWaalsContact CA-NE 3.26Å; L4-R41 HydrophobicContact CB-CB 3.48Å; L4-R41 VanDerWaalsContact CB-CB 3.48Å; L4-R41 HydrophobicContact CB-CG 4.1Å; L4-R41 HydrophobicContact CD1-CB 4.5Å; L4-R41 HydrophobicContact CD1-CG 4.4Å; L4-R41 HydrophobicContact CD2-CB 4.06Å; L4-R41 HydrophobicContact CG-CB 3.35Å; L4-R41 HydrophobicContact CG-CG 3.72Å; L4-C43 PolarHBondContact O-SG 3.09Å | ||
| 5 | C | 26.8 | Very low | 30.1 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 54% | 0.541 | 67% | 0.665 | S | S | . | * | trans | -132.6 | 106.3 | 165.1 | -160.8 | 0 | 0 | 0 | 0 | 118.5 | G3 R41 | G3-C5 PolarHBondContact O-N 3.46Å; C5-R41 CarbonylContact C-O 2.95Å; C5-R41 VanDerWaalsContact CA-CB 3.44Å; C5-R41 WeakPolarHBondContact CA-O 3.4Å; C5-R41 VanDerWaalsContact N-CG 3.32Å; C5-R41 PolarHBondContact N-O 2.92Å; C5-R41 VanDerWaalsContact N-O 3.1Å; C5-R41 WeakPolarHBondContact O-CB 3.41Å | ||
| 6 | I | 33.6 | Very low | 30.3 | Very low | 38 Ų | 38 | 135.1 Ų | 135.1 | 20% | 0.195 | 67% | 0.674 | C | S | . | * | B | Isolated β-bridge | trans | -104.1 | 134.8 | -174.7 | -105.6 | 121.7 | 0 | 0 | 0 | 99.8 | V8 I39 R41 L42 | I6-V8 HydrophobicContact CG2-CG2 3.81Å; I6-I39 VanDerWaalsContact CA-CG2 3.41Å; I6-I39 HydrophobicContact CB-CB 4.03Å; I6-I39 HydrophobicContact CB-CG2 3.3Å; I6-I39 HydrophobicContact CD1-CB 4.25Å; I6-I39 WeakPolarHBondContact CD1-O 3.34Å; I6-I39 VanDerWaalsContact CG1-C 3.44Å; I6-I39 HydrophobicContact CG1-CB 3.32Å; I6-I39 HydrophobicContact CG1-CG2 3.19Å; I6-I39 WeakPolarHBondContact CG1-O 3.41Å; I6-I39 HydrophobicContact CG2-CB 4.23Å; I6-I39 HydrophobicContact CG2-CD1 4.28Å; I6-I39 HydrophobicContact CG2-CG2 3.57Å; I6-R41 WeakPolarHBondContact CA-O 3.46Å; I6-R41 WeakPolarHBondContact CB-O 3.25Å; I6-R41 VanDerWaalsContact CG1-CA 3.42Å; I6-R41 PolarHBondContact N-O 2.95Å; I6-L42 HydrophobicContact CB-CB 3.58Å; I6-L42 HydrophobicContact CB-CG 4.24Å; I6-L42 HydrophobicContact CD1-CB 3.37Å; I6-L42 HydrophobicContact CG1-CB 3.61Å; I6-L42 VanDerWaalsContact CG2-CA 3.42Å; I6-L42 HydrophobicContact CG2-CB 3.31Å; I6-L42 HydrophobicContact CG2-CD1 3.37Å; I6-L42 HydrophobicContact CG2-CG 3.39Å |
| 7 | R | 28.9 | Very low | 30.4 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 44% | 0.442 | 68% | 0.68 | S | S | . | * | trans | -112.8 | 116.5 | 164.8 | -83.2 | 176.3 | 165.8 | 171.5 | -7.1 | 108.7 | Y9 I39 I143 | R7-Y9 HydrophobicContact CB-CE2 4.23Å; R7-I39 WeakPolarHBondContact O-CG2 3.4Å; R7-I143 PolarHBondContact NH2-O 3.42Å | ||
| 8 | V | 34.9 | Very low | 30.5 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 44% | 0.436 | 68% | 0.676 | S | S | . | * | trans | -86.9 | 116.7 | 168.9 | -172.6 | 0 | 0 | 0 | 0 | 106.5 | I6 F10 I39 L42 | I6-V8 HydrophobicContact CG2-CG2 3.81Å; V8-F10 HydrophobicContact CB-CE2 4.25Å; V8-F10 HydrophobicContact CG1-CD2 3.91Å; V8-F10 HydrophobicContact CG1-CE2 3.41Å; V8-F10 VanDerWaalsContact CG1-CE2 3.41Å; V8-F10 HydrophobicContact CG1-CZ 4.18Å; V8-I39 HydrophobicContact CB-CD1 4.19Å; V8-I39 HydrophobicContact CG1-CD1 4.44Å; V8-I39 HydrophobicContact CG2-CD1 3.68Å; V8-L42 HydrophobicContact CG2-CD1 3.65Å | ||
| 9 | Y | 31.4 | Very low | 30.7 | Very low | 192 Ų | 192 | 132.6 Ų | 132.6 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | trans | -84.8 | 119.4 | 179.3 | -66.1 | -88.4 | 0 | 0 | 0 | 109.9 | R7 | R7-Y9 HydrophobicContact CB-CE2 4.23Š| ||
| 10 | F | 27.5 | Very low | 31 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 79% | 0.789 | 68% | 0.682 | S | S | * | * | trans | -113.5 | 118.7 | 166.9 | -77.6 | -86.7 | 0 | 0 | 0 | 107.9 | V8 R12 | V8-F10 HydrophobicContact CB-CE2 4.25Å; V8-F10 HydrophobicContact CG1-CD2 3.91Å; V8-F10 HydrophobicContact CG1-CE2 3.41Å; V8-F10 VanDerWaalsContact CG1-CE2 3.41Å; V8-F10 HydrophobicContact CG1-CZ 4.18Å; F10-R12 PolarHBondContact O-N 2.96Å | ||
| 11 | L | 28.8 | Very low | 31.2 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 69% | 0.691 | S | S | * | * | trans | -76.4 | 112.4 | 174.4 | -136.9 | 83.6 | 0 | 0 | 0 | 107.8 | L14 | L11-L14 HydrophobicContact CD2-CB 3.64Å; L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 HydrophobicContact CD2-CG 4.43Å; L11-L14 HydrophobicContact CG-CB 4.44Å | ||
| 12 | R | 33.9 | Very low | 31.6 | Very low | 242 Ų | 242 | 131.4 Ų | 131.4 | 91% | 0.913 | 68% | 0.682 | S | S | * | * | trans | -117.2 | 8.5 | 174.6 | -123.1 | -171.3 | -177.7 | -170.9 | -0.2 | 115.6 | F10 | F10-R12 PolarHBondContact O-N 2.96Š| ||
| 13 | S | 31.4 | Very low | 32 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -138.6 | 2.6 | -175.1 | -8.9 | 0 | 0 | 0 | 0 | 117.1 | L15 E16 | S13-L15 PolarHBondContact O-N 3.37Å; S13-L15 VanDerWaalsContact O-N 3.09Å; S13-E16 PolarHBondContact O-N 2.87Å |
| 14 | L | 32.6 | Very low | 32.6 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 51% | 0.508 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.1 | 17.1 | 173.3 | -125.2 | 161.3 | 0 | 0 | 0 | 113 | L11 C18 | L11-L14 HydrophobicContact CD2-CB 3.64Å; L11-L14 HydrophobicContact CD2-CD1 3.89Å; L11-L14 HydrophobicContact CD2-CG 4.43Å; L11-L14 HydrophobicContact CG-CB 4.44Å; L14-C18 WeakPolarHBondContact CD2-SG 3.33Å; L14-C18 PolarHBondContact O-SG 3.38Å; L14-C18 VanDerWaalsContact O-SG 3.36Å |
| 15 | L | 33.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -14.1 | 166.5 | -113.3 | 162.5 | 0 | 0 | 0 | 112.2 | S13 | S13-L15 PolarHBondContact O-N 3.37Å; S13-L15 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 32.1 | Very low | 33.6 | Very low | 174 Ų | 174 | 135.1 Ų | 135.1 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -24.5 | -177.6 | -144.6 | 159.1 | -167.4 | 0 | 0 | 113.9 | S13 | S13-E16 PolarHBondContact O-N 2.87Š|
| 17 | E | 33.5 | Very low | 34.1 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -100.8 | -4 | 176.5 | -81.7 | -175.6 | 161.7 | 0 | 0 | 115.3 | S19 | E17-S19 PolarHBondContact O-N 2.87Å; E17-S19 VanDerWaalsContact O-N 3.13Å |
| 18 | C | 30.6 | Very low | 34.5 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -72.4 | 2 | 173.3 | -86.6 | 0 | 0 | 0 | 0 | 114.2 | L14 T20 | L14-C18 WeakPolarHBondContact CD2-SG 3.33Å; L14-C18 PolarHBondContact O-SG 3.38Å; L14-C18 VanDerWaalsContact O-SG 3.36Å; C18-T20 VanDerWaalsContact C-N 3.33Å; C18-T20 PolarHBondContact O-N 3.19Å |
| 19 | S | 34.8 | Very low | 34.6 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -79.5 | 0.8 | -174.5 | -68.5 | 0 | 0 | 0 | 0 | 115.7 | E17 | E17-S19 PolarHBondContact O-N 2.87Å; E17-S19 VanDerWaalsContact O-N 3.13Å |
| 20 | T | 36.5 | Very low | 35 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -130.3 | 9.6 | -172.8 | 37.8 | 0 | 0 | 0 | 0 | 118.4 | C18 | C18-T20 VanDerWaalsContact C-N 3.33Å; C18-T20 PolarHBondContact O-N 3.19Å |
| 21 | L | 35.8 | Very low | 35.4 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -120 | 91.3 | 171.5 | -73.9 | 168.8 | 0 | 0 | 0 | 112 | S23 | L21-S23 PolarHBondContact O-N 3.45Š| ||
| 22 | L | 32.4 | Very low | 36 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 94% | 0.937 | 74% | 0.743 | S | S | * | * | trans | -48.2 | 94.3 | 163.9 | -77.4 | 151.9 | 0 | 0 | 0 | 110.4 | ||||
| 23 | S | 35 | Very low | 35.8 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -83 | 120.7 | 165.6 | 178.4 | 0 | 0 | 0 | 0 | 109 | L21 H25 | L21-S23 PolarHBondContact O-N 3.45Å; S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.09Å | ||
| 24 | P | 38.1 | Very low | 35.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 74% | 0.737 | S | S | * | * | trans | -87.2 | 37.8 | -171.3 | 36.3 | -35.3 | 0 | 0 | 0 | 112.9 | P26 | P24-P26 WeakPolarHBondContact O-CD 3.32Š| ||
| 25 | H | 35.6 | Very low | 35.8 | Very low | 163 Ų | 163 | 136 Ų | 136 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -112.7 | 96.1 | 176 | -93.7 | 18.1 | 0 | 0 | 0 | 112.1 | S23 | S23-H25 PolarHBondContact O-N 2.88Å; S23-H25 VanDerWaalsContact O-N 3.09Å | ||
| 26 | P | 44.3 | Very low | 35.9 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 130.5 | 177.2 | 30.9 | -30.2 | 0 | 0 | 0 | 108.6 | P24 | P24-P26 WeakPolarHBondContact O-CD 3.32Š|
| 27 | S | 45 | Very low | 35.9 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99.8 | 1.8 | 166.1 | 81.6 | 0 | 0 | 0 | 0 | 121 | ||
| 28 | R | 35.7 | Very low | 35.8 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -126.5 | 105.2 | 163.1 | -99.6 | -178 | 175.5 | 172.1 | 1 | 111.4 | ||||
| 29 | S | 36.9 | Very low | 36.1 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | -47.6 | 123.9 | 162.2 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | Y31 | S29-Y31 PolarHBondContact O-N 2.68Š| ||
| 30 | P | 40.6 | Very low | 36.1 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -58.7 | 113.1 | 179.8 | 23.6 | -31.7 | 0 | 0 | 0 | 107.2 | S32 | P30-S32 PolarHBondContact O-N 3.18Š| ||
| 31 | Y | 37 | Very low | 35.8 | Very low | 171 Ų | 171 | 124.8 Ų | 124.8 | 67% | 0.671 | 70% | 0.696 | S | S | * | * | trans | -57 | 110.9 | 175.3 | -70.8 | -81.8 | 0 | 0 | 0 | 106.8 | S29 C33 | S29-Y31 PolarHBondContact O-N 2.68Å; Y31-C33 PolarHBondContact O-N 3.26Å | ||
| 32 | S | 39.9 | Very low | 35.8 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 49% | 0.49 | 68% | 0.677 | S | S | . | * | trans | -58.7 | 99.6 | 172.6 | 54.4 | 0 | 0 | 0 | 0 | 107.5 | P30 Y34 | P30-S32 PolarHBondContact O-N 3.18Å; S32-Y34 WeakPolarHBondContact O-CD2 3.45Å; S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.5Å; S32-Y34 PolarHBondContact O-N 3.48Å; S32-Y34 WeakPolarHBondContact OG-CE2 3.37Å; S32-Y34 VanDerWaalsContact OG-CZ 3.31Å; S32-Y34 PolarHBondContact OG-OH 3.4Å | ||
| 33 | C | 30.1 | Very low | 35.8 | Very low | 102 Ų | 102 | 116.5 Ų | 116.5 | 69% | 0.689 | 66% | 0.658 | S | S | * | * | trans | -65.6 | 115.3 | 173.3 | -73.2 | 0 | 0 | 0 | 0 | 108.3 | Y31 | Y31-C33 PolarHBondContact O-N 3.26Š| ||
| 34 | Y | 34.5 | Very low | 35.9 | Very low | 191 Ų | 191 | 117.8 Ų | 117.8 | 75% | 0.749 | 65% | 0.653 | S | S | * | * | trans | -91.7 | 113.8 | 176.2 | -64.2 | -86.1 | 0 | 0 | 0 | 109.6 | S32 | S32-Y34 WeakPolarHBondContact O-CD2 3.45Å; S32-Y34 VanDerWaalsContact O-CE2 3.24Å; S32-Y34 WeakPolarHBondContact O-CE2 3.5Å; S32-Y34 PolarHBondContact O-N 3.48Å; S32-Y34 WeakPolarHBondContact OG-CE2 3.37Å; S32-Y34 VanDerWaalsContact OG-CZ 3.31Å; S32-Y34 PolarHBondContact OG-OH 3.4Å | ||
| 35 | T | 30.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -83 | 131.7 | 174.7 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | L | 34.8 | Very low | 36.5 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 78% | 0.775 | 65% | 0.648 | S | S | * | * | trans | -86.8 | 103.1 | 167.7 | -69.2 | 171.5 | 0 | 0 | 0 | 108.4 | ||||
| 37 | A | 31.8 | Very low | 36.1 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 60% | 0.603 | 64% | 0.644 | S | S | * | * | trans | -95.3 | 126.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I39 | A37-I39 WeakPolarHBondContact O-CG1 3.33Å; A37-I39 PolarHBondContact O-N 2.88Å | ||
| 38 | T | 32.6 | Very low | 35.7 | Very low | 140 Ų | 140 | 120.2 Ų | 120.2 | 86% | 0.859 | 64% | 0.641 | S | S | * | * | trans | -68.7 | 103.2 | 164.6 | -56.6 | 0 | 0 | 0 | 0 | 107 | P40 | T38-P40 WeakPolarHBondContact O-CD 3.41Š| ||
| 39 | I | 35.7 | Very low | 35.6 | Very low | 52 Ų | 52 | 116.6 Ų | 116.6 | 27% | 0.267 | 64% | 0.641 | S | S | . | * | trans | -81.8 | 125.5 | 178.9 | -41.7 | 170.8 | 0 | 0 | 0 | 106 | I6 R7 V8 A37 R41 | I6-I39 VanDerWaalsContact CA-CG2 3.41Å; I6-I39 HydrophobicContact CB-CB 4.03Å; I6-I39 HydrophobicContact CB-CG2 3.3Å; I6-I39 HydrophobicContact CD1-CB 4.25Å; I6-I39 WeakPolarHBondContact CD1-O 3.34Å; I6-I39 VanDerWaalsContact CG1-C 3.44Å; I6-I39 HydrophobicContact CG1-CB 3.32Å; I6-I39 HydrophobicContact CG1-CG2 3.19Å; I6-I39 WeakPolarHBondContact CG1-O 3.41Å; I6-I39 HydrophobicContact CG2-CB 4.23Å; I6-I39 HydrophobicContact CG2-CD1 4.28Å; I6-I39 HydrophobicContact CG2-CG2 3.57Å; R7-I39 WeakPolarHBondContact O-CG2 3.4Å; V8-I39 HydrophobicContact CB-CD1 4.19Å; V8-I39 HydrophobicContact CG1-CD1 4.44Å; V8-I39 HydrophobicContact CG2-CD1 3.68Å; A37-I39 WeakPolarHBondContact O-CG1 3.33Å; A37-I39 PolarHBondContact O-N 2.88Å; I39-R41 PolarHBondContact O-N 3.46Å | ||
| 40 | P | 35.4 | Very low | 35.4 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -72.5 | -20.8 | -165.2 | 22.4 | -31.3 | 0 | 0 | 0 | 115.1 | T38 | T38-P40 WeakPolarHBondContact O-CD 3.41Š|
| 41 | R | 30.4 | Very low | 35.3 | Very low | 73 Ų | 73 | 119.5 Ų | 119.5 | 28% | 0.275 | 64% | 0.635 | S | S | . | * | trans | -161.7 | 77.6 | -168.9 | -41.7 | 171.5 | 104.5 | -171.4 | -0.9 | 125.5 | Q2 G3 L4 C5 I6 I39 C43 | Q2-R41 VanDerWaalsContact C-NH2 3.32Å; Q2-R41 PolarHBondContact O-NH2 2.99Å; G3-R41 PolarHBondContact O-NE 3.42Å; G3-R41 PolarHBondContact O-NH1 3.39Å; G3-R41 PolarHBondContact O-NH2 2.88Å; L4-R41 CarbonylContact C-O 3.34Å; L4-R41 VanDerWaalsContact CA-NE 3.26Å; L4-R41 HydrophobicContact CB-CB 3.48Å; L4-R41 VanDerWaalsContact CB-CB 3.48Å; L4-R41 HydrophobicContact CB-CG 4.1Å; L4-R41 HydrophobicContact CD1-CB 4.5Å; L4-R41 HydrophobicContact CD1-CG 4.4Å; L4-R41 HydrophobicContact CD2-CB 4.06Å; L4-R41 HydrophobicContact CG-CB 3.35Å; L4-R41 HydrophobicContact CG-CG 3.72Å; C5-R41 CarbonylContact C-O 2.95Å; C5-R41 VanDerWaalsContact CA-CB 3.44Å; C5-R41 WeakPolarHBondContact CA-O 3.4Å; C5-R41 VanDerWaalsContact N-CG 3.32Å; C5-R41 PolarHBondContact N-O 2.92Å; C5-R41 VanDerWaalsContact N-O 3.1Å; C5-R41 WeakPolarHBondContact O-CB 3.41Å; I6-R41 WeakPolarHBondContact CA-O 3.46Å; I6-R41 WeakPolarHBondContact CB-O 3.25Å; I6-R41 VanDerWaalsContact CG1-CA 3.42Å; I6-R41 PolarHBondContact N-O 2.95Å; I39-R41 PolarHBondContact O-N 3.46Å; R41-C43 PolarHBondContact O-N 2.79Å | ||
| 42 | L | 35.5 | Very low | 35.1 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 48% | 0.476 | 62% | 0.623 | S | S | . | * | B | Isolated β-bridge | trans | -75 | 101.8 | -155.4 | -163.8 | 138.7 | 0 | 0 | 0 | 115.7 | I6 V8 H44 | I6-L42 HydrophobicContact CB-CB 3.58Å; I6-L42 HydrophobicContact CB-CG 4.24Å; I6-L42 HydrophobicContact CD1-CB 3.37Å; I6-L42 HydrophobicContact CG1-CB 3.61Å; I6-L42 VanDerWaalsContact CG2-CA 3.42Å; I6-L42 HydrophobicContact CG2-CB 3.31Å; I6-L42 HydrophobicContact CG2-CD1 3.37Å; I6-L42 HydrophobicContact CG2-CG 3.39Å; V8-L42 HydrophobicContact CG2-CD1 3.65Å; L42-H44 HydrophobicContact CD2-CB 4.25Å |
| 43 | C | 33.2 | Very low | 35 | Very low | 79 Ų | 79 | 116.4 Ų | 116.4 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | trans | -106.5 | 92.4 | 171.5 | -72.2 | 0 | 0 | 0 | 0 | 109.2 | L4 R41 | L4-C43 PolarHBondContact O-SG 3.09Å; R41-C43 PolarHBondContact O-N 2.79Å | ||
| 44 | H | 36.3 | Very low | 35.5 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | trans | -93.7 | 110.6 | 168.4 | -154.3 | -85.8 | 0 | 0 | 0 | 107.7 | L42 K46 | L42-H44 HydrophobicContact CD2-CB 4.25Å; H44-K46 VanDerWaalsContact C-N 3.27Å; H44-K46 PolarHBondContact O-N 3.33Å | ||
| 45 | T | 42.9 | Very low | 35.7 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 80% | 0.798 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -73 | -10.5 | -166.4 | 43 | 0 | 0 | 0 | 0 | 115 | ||
| 46 | K | 43.5 | Very low | 36.4 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 61% | 0.609 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -138.2 | -7.2 | -170.7 | -70.6 | -169.3 | 177.3 | -178.5 | 0 | 119.2 | H44 | H44-K46 VanDerWaalsContact C-N 3.27Å; H44-K46 PolarHBondContact O-N 3.33Å |
| 47 | H | 36.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 120 Ų | 120 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | trans | -144.5 | 121.4 | -172.7 | -69.1 | -72.9 | 0 | 0 | 0 | 113.6 | T49 | H47-T49 VanDerWaalsContact C-N 3.28Å; H47-T49 PolarHBondContact O-N 3.32Å | ||
| 48 | L | 35.6 | Very low | 37.3 | Very low | 157 Ų | 157 | 121.3 Ų | 121.3 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | trans | -81.1 | 11.8 | -173.7 | -95 | 160.1 | 0 | 0 | 0 | 114.9 | L75 | L48-L75 HydrophobicContact CD1-CD1 4.06Š| ||
| 49 | T | 34 | Very low | 37.8 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 74% | 0.742 | 59% | 0.587 | S | S | * | * | trans | -132.5 | 76.9 | -164.2 | -20.1 | 0 | 0 | 0 | 0 | 111.5 | H47 | H47-T49 VanDerWaalsContact C-N 3.28Å; H47-T49 PolarHBondContact O-N 3.32Å | ||
| 50 | Y | 33 | Very low | 38.1 | Very low | 168 Ų | 168 | 126 Ų | 126 | 66% | 0.659 | 62% | 0.617 | S | S | * | * | trans | -172.1 | 54.9 | 149.3 | -124.8 | -122.9 | 0 | 0 | 0 | 115.7 | G52 Y53 | Y50-G52 PolarHBondContact O-N 2.91Å; Y50-Y53 HydrophobicContact CD1-CD2 4.5Å; Y50-Y53 HydrophobicContact CD1-CG 4.34Å; Y50-Y53 AromaticContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CG 4.1Å | ||
| 51 | T | 38.7 | Very low | 38.2 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -73.8 | -13.7 | 163.8 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | Y53 I54 R55 | T51-Y53 VanDerWaalsContact C-N 3.32Å; T51-Y53 PolarHBondContact O-N 3.5Å; T51-I54 PolarHBondContact O-N 3.12Å; T51-R55 PolarHBondContact O-N 3.44Å |
| 52 | G | 33.1 | Very low | 38.5 | Very low | 39 Ų | 39 | 122.7 Ų | 122.7 | 40% | 0.402 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.5 | -31.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y50 | Y50-G52 PolarHBondContact O-N 2.91Å |
| 53 | Y | 37.1 | Very low | 38.5 | Very low | 138 Ų | 138 | 129 Ų | 129 | 54% | 0.541 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -74.1 | -31.1 | -179.5 | -153.7 | -100.2 | 0 | 0 | 0 | 112.7 | Y50 T51 | Y50-Y53 HydrophobicContact CD1-CD2 4.5Å; Y50-Y53 HydrophobicContact CD1-CG 4.34Å; Y50-Y53 AromaticContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CD2 3.81Å; Y50-Y53 HydrophobicContact CE1-CG 4.1Å; T51-Y53 VanDerWaalsContact C-N 3.32Å; T51-Y53 PolarHBondContact O-N 3.5Å |
| 54 | I | 41.1 | Very low | 38.8 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 43% | 0.431 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.7 | -41 | -179.9 | -56.9 | 177.9 | 0 | 0 | 0 | 110.4 | T51 R56 R57 L58 I64 | T51-I54 PolarHBondContact O-N 3.12Å; I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 2.96Å; I54-R57 PolarHBondContact O-N 2.95Å; I54-L58 HydrophobicContact CG2-CD1 3.95Å; I54-I64 HydrophobicContact CG2-CD1 4.41Å |
| 55 | R | 38.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 70% | 0.698 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -59.5 | -34.4 | 177.5 | -79.9 | -172.4 | 172.6 | -175.6 | -1 | 113.1 | T51 R57 I64 | T51-R55 PolarHBondContact O-N 3.44Å; R55-R57 VanDerWaalsContact C-N 3.3Å; R55-R57 PolarHBondContact O-N 2.8Å; R55-I64 HydrophobicContact CG-CD1 3.47Å; R55-I64 VanDerWaalsContact CG-CD1 3.47Å |
| 56 | R | 44.2 | Very low | 38.5 | Very low | 205 Ų | 205 | 125.6 Ų | 125.6 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.7 | -21.1 | -178.2 | -73.2 | -176.1 | -174 | 158.1 | 3.1 | 113.9 | I54 | I54-R56 VanDerWaalsContact C-N 3.26Å; I54-R56 PolarHBondContact O-N 2.96Å |
| 57 | R | 44.9 | Very low | 38.1 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -100.3 | -11.3 | -176.8 | -76.3 | -158.7 | 150.6 | -152.8 | -5.1 | 115.7 | I54 R55 | I54-R57 PolarHBondContact O-N 2.95Å; R55-R57 VanDerWaalsContact C-N 3.3Å; R55-R57 PolarHBondContact O-N 2.8Å |
| 58 | L | 41.6 | Very low | 38 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 52% | 0.524 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -96.6 | 7 | -177 | -68.2 | 174.6 | 0 | 0 | 0 | 115.2 | I54 G62 | I54-L58 HydrophobicContact CG2-CD1 3.95Å; L58-G62 PolarHBondContact O-N 3.4Å |
| 59 | G | 42.3 | Very low | 38.2 | Very low | 57 Ų | 57 | 127.2 Ų | 127.2 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | trans | 62.2 | -178 | 172 | 0 | 0 | 0 | 0 | 0 | 114.6 | G61 G62 | G59-G61 PolarHBondContact O-N 2.91Å; G59-G62 PolarHBondContact O-N 3.41Å | ||
| 60 | R | 42.4 | Very low | 38.7 | Very low | 233 Ų | 233 | 126.1 Ų | 126.1 | 88% | 0.879 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 93.8 | -179.1 | -140.6 | -171.1 | -166.9 | -163 | 5 | 108.6 | ||
| 61 | G | 38.5 | Very low | 39.6 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 134.5 | -8.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G59 R63 | G59-G61 PolarHBondContact O-N 2.91Å; G61-R63 PolarHBondContact O-N 2.88Å |
| 62 | G | 36.4 | Very low | 40.2 | Very low | 36 Ų | 36 | 119.2 Ų | 119.2 | 37% | 0.371 | 63% | 0.625 | S | S | . | * | trans | -63.4 | 80.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L58 G59 I64 | L58-G62 PolarHBondContact O-N 3.4Å; G59-G62 PolarHBondContact O-N 3.41Å; G62-I64 VanDerWaalsContact C-N 3.31Å; G62-I64 PolarHBondContact O-N 2.91Å | ||
| 63 | R | 34.2 | Very low | 41.8 | Very low | 224 Ų | 224 | 122.7 Ų | 122.7 | 85% | 0.845 | 64% | 0.639 | S | S | * | * | trans | -67.7 | 98.3 | 167.5 | -67.1 | -175.9 | -178 | -173.4 | 1 | 105.6 | G61 V65 | G61-R63 PolarHBondContact O-N 2.88Å; R63-V65 HydrophobicContact CB-CG2 4.04Å; R63-V65 PolarHBondContact O-N 3.47Å | ||
| 64 | I | 40 | Very low | 42.8 | Very low | 71 Ų | 71 | 121.2 Ų | 121.2 | 36% | 0.364 | 65% | 0.646 | S | S | . | * | trans | -68.2 | 85.9 | 159.6 | -53.4 | 179.1 | 0 | 0 | 0 | 104.3 | I54 R55 G62 C66 | I54-I64 HydrophobicContact CG2-CD1 4.41Å; R55-I64 HydrophobicContact CG-CD1 3.47Å; R55-I64 VanDerWaalsContact CG-CD1 3.47Å; G62-I64 VanDerWaalsContact C-N 3.31Å; G62-I64 PolarHBondContact O-N 2.91Å; I64-C66 VanDerWaalsContact CG2-SG 3.51Å; I64-C66 PolarHBondContact O-N 2.88Å | ||
| 65 | V | 32.8 | Very low | 43.5 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 58% | 0.582 | 64% | 0.641 | S | S | * | * | trans | -70.9 | 88.7 | 162.2 | -171.6 | 0 | 0 | 0 | 0 | 103.3 | R63 D67 | R63-V65 HydrophobicContact CB-CG2 4.04Å; R63-V65 PolarHBondContact O-N 3.47Å; V65-D67 WeakPolarHBondContact CG1-OD1 3.26Å; V65-D67 PolarHBondContact O-N 3.45Å | ||
| 66 | C | 39.9 | Very low | 44.6 | Very low | 98 Ų | 98 | 113 Ų | 113 | 66% | 0.662 | 62% | 0.619 | S | S | * | * | trans | -64 | 81 | 159 | -62.1 | 0 | 0 | 0 | 0 | 104.6 | I64 R68 | I64-C66 VanDerWaalsContact CG2-SG 3.51Å; I64-C66 PolarHBondContact O-N 2.88Å; C66-R68 PolarHBondContact O-N 3.18Å | ||
| 67 | D | 35 | Very low | 45.7 | Very low | 137 Ų | 137 | 105.5 Ų | 105.5 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | trans | -56.7 | 117.4 | 167.6 | -85.7 | -31.2 | 0 | 0 | 0 | 105.3 | V65 A69 | V65-D67 WeakPolarHBondContact CG1-OD1 3.26Å; V65-D67 PolarHBondContact O-N 3.45Å; D67-A69 PolarHBondContact O-N 3.22Å | ||
| 68 | R | 34 | Very low | 46.9 | Very low | 244 Ų | 244 | 104.6 Ų | 104.6 | 92% | 0.921 | 60% | 0.599 | S | S | * | * | trans | -66 | 79.5 | -159.3 | -63.2 | 172.3 | 177.6 | 162.6 | -2.7 | 109.4 | C66 A70 | C66-R68 PolarHBondContact O-N 3.18Å; R68-A70 PolarHBondContact O-N 2.7Å | ||
| 69 | A | 41.7 | Very low | 48 | Very low | 93 Ų | 93 | 103.7 Ų | 103.7 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | D67 A71 | D67-A69 PolarHBondContact O-N 3.22Å; A69-A71 PolarHBondContact O-N 3.37Å |
| 70 | A | 42.9 | Very low | 49.6 | Very low | 99 Ų | 99 | 107.4 Ų | 107.4 | 82% | 0.818 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 127.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | R68 | R68-A70 PolarHBondContact O-N 2.7Š|
| 71 | A | 52.1 | Low | 50.9 | Low | 37 Ų | 37 | 98.9 Ų | 98.9 | 31% | 0.306 | 57% | 0.573 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 145.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | A69 T73 L75 | A69-A71 PolarHBondContact O-N 3.37Å; A71-T73 PolarHBondContact O-N 3.42Å; A71-L75 HydrophobicContact CB-CB 4.49Å; A71-L75 HydrophobicContact CB-CD2 3.56Å |
| 72 | P | 52.6 | Low | 52.4 | Low | 94 Ų | 94 | 101.6 Ų | 101.6 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 137.7 | 170.9 | -26.1 | 34.1 | 0 | 0 | 0 | 110.3 | P74 L75 S76 | P72-P74 VanDerWaalsContact C-N 3.28Å; P72-P74 VanDerWaalsContact O-N 3.08Å; P72-L75 WeakPolarHBondContact O-CA 2.99Å; P72-L75 WeakPolarHBondContact O-CB 3.41Å; P72-L75 PolarHBondContact O-N 3.15Å; P72-S76 PolarHBondContact O-N 3.09Å |
| 73 | T | 66.3 | Low | 53.9 | Low | 113 Ų | 113 | 104 Ų | 104 | 69% | 0.693 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -47.1 | -41.3 | -172.9 | -47.1 | 0 | 0 | 0 | 0 | 114.6 | A71 L75 S76 A77 | A71-T73 PolarHBondContact O-N 3.42Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-L75 PolarHBondContact O-N 3.25Å; T73-S76 VanDerWaalsContact CA-OG 3.32Å; T73-S76 WeakPolarHBondContact CA-OG 3.49Å; T73-S76 PolarHBondContact O-N 2.65Å; T73-S76 PolarHBondContact O-OG 3.19Å; T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 3.22Å |
| 74 | P | 57.9 | Low | 55.6 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 69% | 0.688 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 176.3 | -22.3 | 34.5 | 0 | 0 | 0 | 113.1 | P72 Y78 | P72-P74 VanDerWaalsContact C-N 3.28Å; P72-P74 VanDerWaalsContact O-N 3.08Å; P74-Y78 WeakPolarHBondContact O-CB 3.38Å; P74-Y78 PolarHBondContact O-N 2.89Å |
| 75 | L | 56.2 | Low | 57 | Low | 61 Ų | 61 | 97.3 Ų | 97.3 | 32% | 0.319 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -75.8 | -39.1 | 180 | -169 | 139.3 | 0 | 0 | 0 | 111.1 | L48 A71 P72 T73 A77 Y78 L79 | L48-L75 HydrophobicContact CD1-CD1 4.06Å; A71-L75 HydrophobicContact CB-CB 4.49Å; A71-L75 HydrophobicContact CB-CD2 3.56Å; P72-L75 WeakPolarHBondContact O-CA 2.99Å; P72-L75 WeakPolarHBondContact O-CB 3.41Å; P72-L75 PolarHBondContact O-N 3.15Å; T73-L75 VanDerWaalsContact C-N 3.32Å; T73-L75 PolarHBondContact O-N 3.25Å; L75-A77 VanDerWaalsContact C-N 3.34Å; L75-Y78 PolarHBondContact O-N 3.36Å; L75-L79 HydrophobicContact CD2-CD1 3.55Å; L75-L79 HydrophobicContact CD2-CG 4.14Å; L75-L79 WeakPolarHBondContact O-CB 3.26Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.19Å |
| 76 | S | 60.7 | Low | 58.4 | Low | 35 Ų | 35 | 96.2 Ų | 96.2 | 25% | 0.245 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 172.9 | 59.5 | 0 | 0 | 0 | 0 | 111.9 | P72 T73 L79 Q80 | P72-S76 PolarHBondContact O-N 3.09Å; T73-S76 VanDerWaalsContact CA-OG 3.32Å; T73-S76 WeakPolarHBondContact CA-OG 3.49Å; T73-S76 PolarHBondContact O-N 2.65Å; T73-S76 PolarHBondContact O-OG 3.19Å; S76-L79 PolarHBondContact O-N 2.51Å; S76-Q80 WeakPolarHBondContact O-CB 3.11Å; S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.36Å; S76-Q80 PolarHBondContact O-N 3.2Å |
| 77 | A | 68.3 | Low | 59.3 | Low | 49 Ų | 49 | 100 Ų | 100 | 41% | 0.405 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T73 L75 Q80 S81 | T73-A77 WeakPolarHBondContact O-CB 3.27Å; T73-A77 PolarHBondContact O-N 3.22Å; L75-A77 VanDerWaalsContact C-N 3.34Å; A77-Q80 PolarHBondContact O-N 3.47Å; A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.23Å; A77-S81 PolarHBondContact O-OG 2.99Å |
| 78 | Y | 68.8 | Low | 60.5 | Low | 147 Ų | 147 | 98 Ų | 98 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.5 | -49.7 | 173.8 | 175.4 | -95 | 0 | 0 | 0 | 111.6 | P74 L75 Q80 S81 Y82 | P74-Y78 WeakPolarHBondContact O-CB 3.38Å; P74-Y78 PolarHBondContact O-N 2.89Å; L75-Y78 PolarHBondContact O-N 3.36Å; Y78-Q80 PolarHBondContact O-N 2.67Å; Y78-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-OG 3.48Å; Y78-Y82 WeakPolarHBondContact O-CB 3.17Å; Y78-Y82 PolarHBondContact O-N 2.86Å |
| 79 | L | 66.1 | Low | 61.6 | Low | 80 Ų | 80 | 89.1 Ų | 89.1 | 42% | 0.419 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 178.8 | -69.8 | 176.8 | 0 | 0 | 0 | 112 | L75 S76 S81 Y82 D83 | L75-L79 HydrophobicContact CD2-CD1 3.55Å; L75-L79 HydrophobicContact CD2-CG 4.14Å; L75-L79 WeakPolarHBondContact O-CB 3.26Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.41Å; L75-L79 PolarHBondContact O-N 3.19Å; S76-L79 PolarHBondContact O-N 2.51Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.69Å; L79-Y82 WeakPolarHBondContact O-CB 3.17Å; L79-Y82 PolarHBondContact O-N 3.32Å; L79-D83 WeakPolarHBondContact O-CB 3.44Å; L79-D83 PolarHBondContact O-N 3.36Å |
| 80 | Q | 73.9 | Confident | 62.2 | Low | 135 Ų | 135 | 88.9 Ų | 88.9 | 63% | 0.631 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 175.2 | -76.3 | 174.4 | 1.5 | 0 | 0 | 112 | S76 A77 Y78 D83 A84 | S76-Q80 WeakPolarHBondContact O-CB 3.11Å; S76-Q80 VanDerWaalsContact O-CG 3.25Å; S76-Q80 WeakPolarHBondContact O-CG 3.36Å; S76-Q80 PolarHBondContact O-N 3.2Å; A77-Q80 PolarHBondContact O-N 3.47Å; Y78-Q80 PolarHBondContact O-N 2.67Å; Q80-D83 PolarHBondContact O-N 3.29Å; Q80-A84 VanDerWaalsContact O-CB 3.27Å; Q80-A84 WeakPolarHBondContact O-CB 3.21Å; Q80-A84 PolarHBondContact O-N 3.1Å |
| 81 | S | 71.1 | Confident | 62.3 | Low | 54 Ų | 54 | 88.4 Ų | 88.4 | 38% | 0.378 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 176.1 | 75.9 | 0 | 0 | 0 | 0 | 111.9 | A77 Y78 L79 A84 N85 | A77-S81 WeakPolarHBondContact O-CB 3.45Å; A77-S81 PolarHBondContact O-N 3.23Å; A77-S81 PolarHBondContact O-OG 2.99Å; Y78-S81 PolarHBondContact O-N 3.49Å; Y78-S81 PolarHBondContact O-OG 3.48Å; L79-S81 VanDerWaalsContact C-N 3.33Å; L79-S81 PolarHBondContact O-N 2.69Å; S81-A84 PolarHBondContact O-N 2.98Å; S81-N85 WeakPolarHBondContact O-CB 3.11Å; S81-N85 PolarHBondContact O-N 3.35Å; S81-N85 PolarHBondContact O-ND2 3.07Å |
| 82 | Y | 69.2 | Low | 61.9 | Low | 125 Ų | 125 | 90.5 Ų | 90.5 | 49% | 0.49 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 176.8 | -179.1 | -94.4 | 0 | 0 | 0 | 111.4 | Y78 L79 A84 N85 L86 | Y78-Y82 WeakPolarHBondContact O-CB 3.17Å; Y78-Y82 PolarHBondContact O-N 2.86Å; L79-Y82 WeakPolarHBondContact O-CB 3.17Å; L79-Y82 PolarHBondContact O-N 3.32Å; Y82-A84 VanDerWaalsContact C-N 3.35Å; Y82-A84 PolarHBondContact O-N 2.91Å; Y82-N85 PolarHBondContact O-N 3.36Å; Y82-L86 HydrophobicContact CD1-CD1 3.74Å; Y82-L86 HydrophobicContact CE1-CD1 3.26Å; Y82-L86 HydrophobicContact CE1-CG 4.32Å; Y82-L86 PolarHBondContact O-N 2.96Å |
| 83 | D | 67.8 | Low | 61.5 | Low | 85 Ų | 85 | 89.1 Ų | 89.1 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.3 | -35.2 | 177.3 | -71.2 | -16.6 | 0 | 0 | 0 | 112.2 | L79 Q80 K87 | L79-D83 WeakPolarHBondContact O-CB 3.44Å; L79-D83 PolarHBondContact O-N 3.36Å; Q80-D83 PolarHBondContact O-N 3.29Å; D83-K87 WeakPolarHBondContact O-CG 3.26Å; D83-K87 PolarHBondContact O-N 2.93Å |
| 84 | A | 71.1 | Confident | 60.6 | Low | 55 Ų | 55 | 88.5 Ų | 88.5 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q80 S81 Y82 L86 K87 S88 | Q80-A84 VanDerWaalsContact O-CB 3.27Å; Q80-A84 WeakPolarHBondContact O-CB 3.21Å; Q80-A84 PolarHBondContact O-N 3.1Å; S81-A84 PolarHBondContact O-N 2.98Å; Y82-A84 VanDerWaalsContact C-N 3.35Å; Y82-A84 PolarHBondContact O-N 2.91Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 3.08Å; A84-K87 PolarHBondContact O-N 2.8Å; A84-K87 VanDerWaalsContact O-N 3.12Å; A84-S88 PolarHBondContact O-N 3.21Å; A84-S88 PolarHBondContact O-OG 3.19Å |
| 85 | N | 68.9 | Low | 60.1 | Low | 100 Ų | 100 | 88.1 Ų | 88.1 | 54% | 0.535 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 176.4 | -75.1 | -27.3 | 0 | 0 | 0 | 111.9 | S81 Y82 K87 S88 S89 | S81-N85 WeakPolarHBondContact O-CB 3.11Å; S81-N85 PolarHBondContact O-N 3.35Å; S81-N85 PolarHBondContact O-ND2 3.07Å; Y82-N85 PolarHBondContact O-N 3.36Å; N85-K87 VanDerWaalsContact C-N 3.26Å; N85-K87 PolarHBondContact O-N 2.88Å; N85-S88 WeakPolarHBondContact CA-OG 3.11Å; N85-S88 PolarHBondContact O-N 3.26Å; N85-S88 PolarHBondContact O-OG 3.45Å; N85-S88 VanDerWaalsContact O-OG 3.09Å; N85-S89 WeakPolarHBondContact O-CB 3.24Å; N85-S89 PolarHBondContact O-N 3.41Å; N85-S89 PolarHBondContact O-OG 3.34Å |
| 86 | L | 62.1 | Low | 59.6 | Low | 74 Ų | 74 | 93 Ų | 93 | 39% | 0.387 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.5 | -34 | 173.5 | -97.4 | 161.8 | 0 | 0 | 0 | 112.8 | Y82 A84 S89 | Y82-L86 HydrophobicContact CD1-CD1 3.74Å; Y82-L86 HydrophobicContact CE1-CD1 3.26Å; Y82-L86 HydrophobicContact CE1-CG 4.32Å; Y82-L86 PolarHBondContact O-N 2.96Å; A84-L86 VanDerWaalsContact C-N 3.32Å; A84-L86 PolarHBondContact O-N 3.08Å; L86-S89 PolarHBondContact O-OG 2.94Å |
| 87 | K | 59.7 | Low | 58.9 | Low | 178 Ų | 178 | 97.1 Ų | 97.1 | 77% | 0.774 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.8 | -34.7 | 177.2 | -70.2 | 174.2 | -177.8 | 177.7 | 0 | 112.3 | D83 A84 N85 | D83-K87 WeakPolarHBondContact O-CG 3.26Å; D83-K87 PolarHBondContact O-N 2.93Å; A84-K87 PolarHBondContact O-N 2.8Å; A84-K87 VanDerWaalsContact O-N 3.12Å; N85-K87 VanDerWaalsContact C-N 3.26Å; N85-K87 PolarHBondContact O-N 2.88Å |
| 88 | S | 60.1 | Low | 57.8 | Low | 93 Ų | 93 | 99.1 Ų | 99.1 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -77.9 | -34.1 | 177.9 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | A84 N85 G90 | A84-S88 PolarHBondContact O-N 3.21Å; A84-S88 PolarHBondContact O-OG 3.19Å; N85-S88 WeakPolarHBondContact CA-OG 3.11Å; N85-S88 PolarHBondContact O-N 3.26Å; N85-S88 PolarHBondContact O-OG 3.45Å; N85-S88 VanDerWaalsContact O-OG 3.09Å; S88-G90 PolarHBondContact O-N 2.82Å |
| 89 | S | 56.1 | Low | 56.9 | Low | 59 Ų | 59 | 97.3 Ų | 97.3 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -72.5 | 88.1 | 163 | 69.3 | 0 | 0 | 0 | 0 | 106.7 | N85 L86 S91 | N85-S89 WeakPolarHBondContact O-CB 3.24Å; N85-S89 PolarHBondContact O-N 3.41Å; N85-S89 PolarHBondContact O-OG 3.34Å; L86-S89 PolarHBondContact O-OG 2.94Å; S89-S91 PolarHBondContact O-N 3.41Å |
| 90 | G | 53.6 | Low | 56 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 90% | 0.897 | 61% | 0.606 | S | S | * | * | trans | -62.7 | 35.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S88 | S88-G90 PolarHBondContact O-N 2.82Š| ||
| 91 | S | 44.9 | Very low | 54.5 | Low | 89 Ų | 89 | 100.1 Ų | 100.1 | 62% | 0.622 | 60% | 0.604 | S | S | * | * | trans | -140.7 | 54.4 | -173.7 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | S89 S93 | S89-S91 PolarHBondContact O-N 3.41Å; S91-S93 PolarHBondContact O-N 3.09Å | ||
| 92 | A | 45.6 | Very low | 53.4 | Low | 81 Ų | 81 | 101.3 Ų | 101.3 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | trans | -71.5 | 59.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | P94 | A92-P94 VanDerWaalsContact O-CD 3.26Å; A92-P94 WeakPolarHBondContact O-CD 3.07Å | ||
| 93 | S | 42.3 | Very low | 52.1 | Low | 65 Ų | 65 | 104.5 Ų | 104.5 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | trans | -66.4 | 116.3 | 169.3 | -178.2 | 0 | 0 | 0 | 0 | 106.2 | S91 S95 | S91-S93 PolarHBondContact O-N 3.09Å; S93-S95 PolarHBondContact O-N 3.36Å; S93-S95 PolarHBondContact OG-OG 3.27Å | ||
| 94 | P | 48.1 | Very low | 51.1 | Low | 101 Ų | 101 | 110.4 Ų | 110.4 | 66% | 0.656 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -71.5 | 15.7 | -177.4 | 27.6 | -28.9 | 0 | 0 | 0 | 112.9 | A92 L96 I97 | A92-P94 VanDerWaalsContact O-CD 3.26Å; A92-P94 WeakPolarHBondContact O-CD 3.07Å; P94-L96 PolarHBondContact O-N 3.22Å; P94-I97 HydrophobicContact CB-CD1 4.49Å; P94-I97 PolarHBondContact O-N 2.87Å |
| 95 | S | 47 | Very low | 50.2 | Low | 97 Ų | 97 | 114.1 Ų | 114.1 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -71.9 | -5.9 | -177.4 | 59.7 | 0 | 0 | 0 | 0 | 115 | S93 | S93-S95 PolarHBondContact O-N 3.36Å; S93-S95 PolarHBondContact OG-OG 3.27Å |
| 96 | L | 46.8 | Very low | 49.4 | Very low | 164 Ų | 164 | 111.8 Ų | 111.8 | 86% | 0.859 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -95.1 | 2.6 | 172.9 | -75.8 | 167.9 | 0 | 0 | 0 | 114.2 | P94 P98 | P94-L96 PolarHBondContact O-N 3.22Å; L96-P98 WeakPolarHBondContact O-CD 3.35Å |
| 97 | I | 44.8 | Very low | 48.9 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 62% | 0.621 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -80.9 | 110.5 | 164.7 | -56.2 | 174.7 | 0 | 0 | 0 | 106 | P94 S99 | P94-I97 HydrophobicContact CB-CD1 4.49Å; P94-I97 PolarHBondContact O-N 2.87Å; I97-S99 PolarHBondContact O-N 3.4Å |
| 98 | P | 44.9 | Very low | 48.7 | Very low | 91 Ų | 91 | 111.4 Ų | 111.4 | 59% | 0.591 | 64% | 0.644 | S | S | * | * | trans | -57.9 | 110.9 | 173.6 | 21.6 | -29.8 | 0 | 0 | 0 | 108 | L96 N100 F101 | L96-P98 WeakPolarHBondContact O-CD 3.35Å; P98-N100 PolarHBondContact O-N 2.74Å; P98-F101 PolarHBondContact O-N 3.29Å; P98-F101 VanDerWaalsContact O-N 3.16Å | ||
| 99 | S | 51 | Low | 48.7 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -7.7 | -175 | 55.4 | 0 | 0 | 0 | 0 | 114 | I97 | I97-S99 PolarHBondContact O-N 3.4Š|
| 100 | N | 47.5 | Very low | 49 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 3.6 | -175 | -51.6 | -12.1 | 0 | 0 | 0 | 112.2 | P98 C102 | P98-N100 PolarHBondContact O-N 2.74Å; N100-C102 PolarHBondContact O-N 3.01Å |
| 101 | F | 42.9 | Very low | 49.8 | Very low | 133 Ų | 133 | 115 Ų | 115 | 58% | 0.583 | 63% | 0.627 | S | S | * | * | trans | -75 | 74.8 | 170.9 | -146.1 | -92.6 | 0 | 0 | 0 | 109.8 | P98 W103 | P98-F101 PolarHBondContact O-N 3.29Å; P98-F101 VanDerWaalsContact O-N 3.16Å; F101-W103 VanDerWaalsContact C-N 3.33Å; F101-W103 HydrophobicContact CD1-CD2 4.21Å; F101-W103 AromaticContact CD1-CE2 3.71Å; F101-W103 HydrophobicContact CD1-CG 4.49Å; F101-W103 AromaticContact CD1-CZ2 4Å; F101-W103 HydrophobicContact CD1-CZ2 4Å; F101-W103 AromaticContact CD1-NE1 3.7Å; F101-W103 HydrophobicContact CE1-CD2 4.33Å; F101-W103 AromaticContact CE1-CE2 3.92Å; F101-W103 HydrophobicContact CE1-CH2 4.14Å; F101-W103 AromaticContact CE1-CZ2 3.83Å; F101-W103 HydrophobicContact CE1-CZ2 3.83Å; F101-W103 PolarHBondContact O-N 3.17Å | ||
| 102 | C | 47.2 | Very low | 51.1 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 53% | 0.534 | 62% | 0.621 | S | S | . | * | trans | -70 | 86.6 | -180 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | N100 R104 Q105 | N100-C102 PolarHBondContact O-N 3.01Å; C102-R104 PolarHBondContact O-N 3.13Å; C102-R104 VanDerWaalsContact SG-CB 3.52Å; C102-Q105 PolarHBondContact O-N 3.29Å | ||
| 103 | W | 41.3 | Very low | 52.2 | Low | 193 Ų | 193 | 114.2 Ų | 114.2 | 73% | 0.731 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -54.3 | -13.5 | 169 | -71.5 | 100.3 | 0 | 0 | 0 | 113.6 | F101 Q105 S106 | F101-W103 VanDerWaalsContact C-N 3.33Å; F101-W103 HydrophobicContact CD1-CD2 4.21Å; F101-W103 AromaticContact CD1-CE2 3.71Å; F101-W103 HydrophobicContact CD1-CG 4.49Å; F101-W103 AromaticContact CD1-CZ2 4Å; F101-W103 HydrophobicContact CD1-CZ2 4Å; F101-W103 AromaticContact CD1-NE1 3.7Å; F101-W103 HydrophobicContact CE1-CD2 4.33Å; F101-W103 AromaticContact CE1-CE2 3.92Å; F101-W103 HydrophobicContact CE1-CH2 4.14Å; F101-W103 AromaticContact CE1-CZ2 3.83Å; F101-W103 HydrophobicContact CE1-CZ2 3.83Å; F101-W103 PolarHBondContact O-N 3.17Å; W103-Q105 VanDerWaalsContact C-N 3.32Å; W103-Q105 PolarHBondContact O-N 3.36Å; W103-S106 PolarHBondContact O-OG 2.85Å |
| 104 | R | 48.3 | Very low | 53.4 | Low | 209 Ų | 209 | 114.3 Ų | 114.3 | 79% | 0.789 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -67.8 | -27.8 | -176.2 | -138.7 | -176.4 | -76.9 | -103.4 | 6.5 | 113.1 | C102 | C102-R104 PolarHBondContact O-N 3.13Å; C102-R104 VanDerWaalsContact SG-CB 3.52Å |
| 105 | Q | 50.5 | Low | 54.5 | Low | 132 Ų | 132 | 113.6 Ų | 113.6 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -82.4 | -18.5 | -178.5 | -78.3 | -171.2 | -7 | 0 | 0 | 115.1 | C102 W103 Q107 T108 | C102-Q105 PolarHBondContact O-N 3.29Å; W103-Q105 VanDerWaalsContact C-N 3.32Å; W103-Q105 PolarHBondContact O-N 3.36Å; Q105-Q107 VanDerWaalsContact C-N 3.31Å; Q105-T108 PolarHBondContact O-OG1 3.16Å |
| 106 | S | 53.8 | Low | 55.5 | Low | 51 Ų | 51 | 117.7 Ų | 117.7 | 36% | 0.357 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.1 | -26.3 | -179.8 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | W103 T108 K109 D110 | W103-S106 PolarHBondContact O-OG 2.85Å; S106-T108 PolarHBondContact O-N 2.9Å; S106-K109 PolarHBondContact O-N 3.35Å; S106-D110 WeakPolarHBondContact O-CB 3.43Å; S106-D110 VanDerWaalsContact O-CG 3.3Å; S106-D110 PolarHBondContact O-N 3.24Å |
| 107 | Q | 49.6 | Very low | 56.2 | Low | 144 Ų | 144 | 113.5 Ų | 113.5 | 67% | 0.673 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | -174.2 | -147.4 | 174 | 21.8 | 0 | 0 | 112.4 | Q105 V111 | Q105-Q107 VanDerWaalsContact C-N 3.31Å; Q107-V111 VanDerWaalsContact O-CG2 3.28Å; Q107-V111 WeakPolarHBondContact O-CG2 3.28Å; Q107-V111 PolarHBondContact O-N 3.31Å |
| 108 | T | 56.3 | Low | 57 | Low | 100 Ų | 100 | 112.5 Ų | 112.5 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69 | -40.8 | 177.1 | 47.2 | 0 | 0 | 0 | 0 | 112 | Q105 S106 V111 A112 | Q105-T108 PolarHBondContact O-OG1 3.16Å; S106-T108 PolarHBondContact O-N 2.9Å; T108-V111 PolarHBondContact O-N 3.22Å; T108-A112 PolarHBondContact O-N 3.4Å |
| 109 | K | 61 | Low | 57.7 | Low | 143 Ų | 143 | 113 Ų | 113 | 62% | 0.622 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -40.5 | 176.9 | -69.1 | 179.8 | 179.8 | 174.8 | 0 | 112.1 | S106 V111 A112 L113 | S106-K109 PolarHBondContact O-N 3.35Å; K109-V111 VanDerWaalsContact C-N 3.35Å; K109-A112 PolarHBondContact O-N 3.04Å; K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.42Å |
| 110 | D | 62.5 | Low | 57.9 | Low | 94 Ų | 94 | 110.6 Ų | 110.6 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 177.8 | -75.7 | -14.1 | 0 | 0 | 0 | 112 | S106 L114 | S106-D110 WeakPolarHBondContact O-CB 3.43Å; S106-D110 VanDerWaalsContact O-CG 3.3Å; S106-D110 PolarHBondContact O-N 3.24Å; D110-L114 VanDerWaalsContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 PolarHBondContact O-N 2.92Å |
| 111 | V | 69.8 | Low | 58.2 | Low | 79 Ų | 79 | 110 Ų | 110 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.3 | -44.1 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | Q107 T108 K109 L114 N115 | Q107-V111 VanDerWaalsContact O-CG2 3.28Å; Q107-V111 WeakPolarHBondContact O-CG2 3.28Å; Q107-V111 PolarHBondContact O-N 3.31Å; T108-V111 PolarHBondContact O-N 3.22Å; K109-V111 VanDerWaalsContact C-N 3.35Å; V111-L114 PolarHBondContact O-N 3.18Å; V111-N115 PolarHBondContact O-N 2.88Å |
| 112 | A | 72.6 | Confident | 58.4 | Low | 61 Ų | 61 | 111.2 Ų | 111.2 | 50% | 0.504 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T108 K109 L114 N115 R116 | T108-A112 PolarHBondContact O-N 3.4Å; K109-A112 PolarHBondContact O-N 3.04Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 2.96Å; A112-N115 PolarHBondContact O-N 3.21Å; A112-R116 PolarHBondContact O-N 3.07Å; A112-R116 VanDerWaalsContact O-N 3.08Å |
| 113 | L | 68.1 | Low | 58.4 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -44.5 | 175.6 | -168.8 | 95 | 0 | 0 | 0 | 111.3 | K109 N115 R116 L117 | K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.42Å; L113-N115 PolarHBondContact O-N 2.83Å; L113-R116 PolarHBondContact O-N 3.34Å; L113-L117 HydrophobicContact CD2-CD1 4.04Å; L113-L117 HydrophobicContact CG-CD1 4.13Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.82Å |
| 114 | L | 68.1 | Low | 58.9 | Low | 67 Ų | 67 | 105.9 Ų | 105.9 | 35% | 0.351 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 178.7 | -178.6 | 65 | 0 | 0 | 0 | 111.5 | D110 V111 A112 R116 L117 K118 | D110-L114 VanDerWaalsContact O-CB 3.26Å; D110-L114 WeakPolarHBondContact O-CB 3.26Å; D110-L114 PolarHBondContact O-N 2.92Å; V111-L114 PolarHBondContact O-N 3.18Å; A112-L114 VanDerWaalsContact C-N 3.35Å; A112-L114 PolarHBondContact O-N 2.96Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 3.19Å; L114-L117 PolarHBondContact O-N 3.09Å; L114-K118 WeakPolarHBondContact O-CG 3.29Å; L114-K118 PolarHBondContact O-N 3.44Å |
| 115 | N | 71.2 | Confident | 58.9 | Low | 86 Ų | 86 | 104 Ų | 104 | 46% | 0.46 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.4 | -73.6 | -19.4 | 0 | 0 | 0 | 111.9 | V111 A112 L113 K118 | V111-N115 PolarHBondContact O-N 2.88Å; A112-N115 PolarHBondContact O-N 3.21Å; L113-N115 PolarHBondContact O-N 2.83Å; N115-K118 PolarHBondContact O-N 2.89Å |
| 116 | R | 67.1 | Low | 58.7 | Low | 183 Ų | 183 | 107.8 Ų | 107.8 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.6 | -33.8 | 175.8 | -157.9 | 178.2 | 83 | 176 | 6.5 | 113.1 | A112 L113 L114 T119 | A112-R116 PolarHBondContact O-N 3.07Å; A112-R116 VanDerWaalsContact O-N 3.08Å; L113-R116 PolarHBondContact O-N 3.34Å; L114-R116 VanDerWaalsContact C-N 3.31Å; L114-R116 PolarHBondContact O-N 3.19Å; R116-T119 PolarHBondContact O-OG1 3.06Å |
| 117 | L | 60.8 | Low | 58.2 | Low | 77 Ų | 77 | 108.6 Ų | 108.6 | 40% | 0.403 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76.6 | -32.5 | 177.5 | -71.8 | 172.3 | 0 | 0 | 0 | 112.2 | L113 L114 T119 S120 I121 | L113-L117 HydrophobicContact CD2-CD1 4.04Å; L113-L117 HydrophobicContact CG-CD1 4.13Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 2.82Å; L114-L117 PolarHBondContact O-N 3.09Å; L117-T119 VanDerWaalsContact C-N 3.34Å; L117-T119 PolarHBondContact O-N 2.93Å; L117-S120 PolarHBondContact O-N 3.38Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L117-I121 HydrophobicContact CB-CD1 4.29Å; L117-I121 WeakPolarHBondContact O-CB 3.38Å; L117-I121 VanDerWaalsContact O-CG1 3.29Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 2.95Å |
| 118 | K | 62.5 | Low | 57.9 | Low | 99 Ų | 99 | 112.7 Ų | 112.7 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -56.3 | -47.8 | 175.1 | -76.4 | -180 | 177.5 | 177.2 | 0 | 111.2 | L114 N115 S120 I121 F122 | L114-K118 WeakPolarHBondContact O-CG 3.29Å; L114-K118 PolarHBondContact O-N 3.44Å; N115-K118 PolarHBondContact O-N 2.89Å; K118-S120 PolarHBondContact O-N 2.94Å; K118-I121 PolarHBondContact O-N 3.35Å; K118-F122 HydrophobicContact CB-CD2 4.04Å; K118-F122 HydrophobicContact CB-CE2 4.16Å; K118-F122 HydrophobicContact CG-CD2 4.45Å; K118-F122 HydrophobicContact CG-CE2 4.06Å; K118-F122 WeakPolarHBondContact O-CB 3.12Å; K118-F122 WeakPolarHBondContact O-CD2 3.42Å; K118-F122 PolarHBondContact O-N 3.06Å |
| 119 | T | 59.1 | Low | 57.5 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.6 | -32.8 | 178.1 | 59 | 0 | 0 | 0 | 0 | 112.4 | R116 L117 S123 | R116-T119 PolarHBondContact O-OG1 3.06Å; L117-T119 VanDerWaalsContact C-N 3.34Å; L117-T119 PolarHBondContact O-N 2.93Å; T119-S123 WeakPolarHBondContact O-CB 3.38Å; T119-S123 PolarHBondContact O-N 3.25Å |
| 120 | S | 54.6 | Low | 56.5 | Low | 60 Ų | 60 | 112.2 Ų | 112.2 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -78.7 | -29 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 114.5 | L117 K118 S123 | L117-S120 PolarHBondContact O-N 3.38Å; L117-S120 VanDerWaalsContact O-N 3.11Å; K118-S120 PolarHBondContact O-N 2.94Å; S120-S123 PolarHBondContact O-OG 3.43Å |
| 121 | I | 54.7 | Low | 55.5 | Low | 126 Ų | 126 | 114.5 Ų | 114.5 | 65% | 0.646 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -87.5 | -37.8 | -177.9 | -66.5 | 166.8 | 0 | 0 | 0 | 110.4 | L117 K118 | L117-I121 HydrophobicContact CB-CD1 4.29Å; L117-I121 WeakPolarHBondContact O-CB 3.38Å; L117-I121 VanDerWaalsContact O-CG1 3.29Å; L117-I121 WeakPolarHBondContact O-CG1 3.49Å; L117-I121 PolarHBondContact O-N 2.95Å; K118-I121 PolarHBondContact O-N 3.35Å |
| 122 | F | 47.7 | Very low | 53.9 | Low | 159 Ų | 159 | 116.5 Ų | 116.5 | 70% | 0.697 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -88.6 | 1.9 | 179.9 | -62.8 | -64.4 | 0 | 0 | 0 | 113.8 | K118 S124 | K118-F122 HydrophobicContact CB-CD2 4.04Å; K118-F122 HydrophobicContact CB-CE2 4.16Å; K118-F122 HydrophobicContact CG-CD2 4.45Å; K118-F122 HydrophobicContact CG-CE2 4.06Å; K118-F122 WeakPolarHBondContact O-CB 3.12Å; K118-F122 WeakPolarHBondContact O-CD2 3.42Å; K118-F122 PolarHBondContact O-N 3.06Å; F122-S124 PolarHBondContact O-N 3.37Å |
| 123 | S | 47.4 | Very low | 52.3 | Low | 49 Ų | 49 | 121.5 Ų | 121.5 | 34% | 0.343 | 63% | 0.625 | S | S | . | * | trans | -65.4 | 111.4 | 171.7 | 69.8 | 0 | 0 | 0 | 0 | 108.9 | T119 S120 H125 | T119-S123 WeakPolarHBondContact O-CB 3.38Å; T119-S123 PolarHBondContact O-N 3.25Å; S120-S123 PolarHBondContact O-OG 3.43Å; S123-H125 PolarHBondContact O-N 3.44Å | ||
| 124 | S | 51.3 | Low | 50.7 | Low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 2.7 | -171.1 | -168.2 | 0 | 0 | 0 | 0 | 114.9 | F122 | F122-S124 PolarHBondContact O-N 3.37Š|
| 125 | H | 48.6 | Very low | 49.1 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 78% | 0.782 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 3.7 | -171.2 | -46.3 | -54.2 | 0 | 0 | 0 | 114.2 | S123 G127 | S123-H125 PolarHBondContact O-N 3.44Å; H125-G127 PolarHBondContact O-N 3.48Å |
| 126 | R | 45.8 | Very low | 47.5 | Very low | 213 Ų | 213 | 126.4 Ų | 126.4 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -85.3 | 74 | 171 | -62.4 | -152.8 | -175 | -160.1 | 2.1 | 110.2 | R128 | R126-R128 PolarHBondContact O-N 3.29Š| ||
| 127 | G | 42.4 | Very low | 46.2 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 68% | 0.678 | S | S | * | * | trans | -46.4 | 134.1 | 156 | 0 | 0 | 0 | 0 | 0 | 109.5 | H125 | H125-G127 PolarHBondContact O-N 3.48Š| ||
| 128 | R | 43.9 | Very low | 44.9 | Very low | 230 Ų | 230 | 127.9 Ų | 127.9 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -12.3 | 129.2 | 173.5 | -124.8 | 172.3 | 178.7 | -136.6 | 1.8 | 114.8 | R126 S130 | R126-R128 PolarHBondContact O-N 3.29Å; R128-S130 PolarHBondContact O-N 2.93Å | ||
| 129 | P | 47.5 | Very low | 43.9 | Very low | 130 Ų | 130 | 131 Ų | 131 | 84% | 0.844 | 71% | 0.711 | S | S | * | * | trans | -59.5 | 107.1 | 177.7 | 22.6 | -30.2 | 0 | 0 | 0 | 110.2 | F131 | P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å; P129-F131 VanDerWaalsContact O-N 3.07Å | ||
| 130 | S | 40.1 | Very low | 43.2 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | trans | -83.7 | 66.1 | -178.6 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | R128 | R128-S130 PolarHBondContact O-N 2.93Š| ||
| 131 | F | 42.6 | Very low | 42.5 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 63% | 0.627 | 73% | 0.73 | S | S | * | * | trans | -142.9 | 97.1 | 170 | -88.4 | -84.9 | 0 | 0 | 0 | 110.9 | P129 W133 | P129-F131 VanDerWaalsContact C-N 3.28Å; P129-F131 PolarHBondContact O-N 2.96Å; P129-F131 VanDerWaalsContact O-N 3.07Å; F131-W133 HydrophobicContact CB-CG 4.43Å; F131-W133 HydrophobicContact CB-CZ2 4.36Å; F131-W133 VanDerWaalsContact CB-NE1 3.31Å; F131-W133 HydrophobicContact CD1-CD2 4.33Å; F131-W133 AromaticContact CD1-CE2 3.81Å; F131-W133 HydrophobicContact CD1-CH2 4.17Å; F131-W133 AromaticContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CE1-CH2 4.3Å; F131-W133 HydrophobicContact CE1-CZ2 4.19Å; F131-W133 AromaticContact CG-CE2 3.97Å; F131-W133 HydrophobicContact CG-CZ2 4.02Å; F131-W133 AromaticContact CG-NE1 3.93Å; F131-W133 PolarHBondContact O-N 3.3Å | ||
| 132 | S | 35.5 | Very low | 42 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | trans | -74 | 92.4 | 156.3 | 51.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 133 | W | 38.9 | Very low | 41.9 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | -74.8 | 129.8 | 177.3 | -70.1 | 96.3 | 0 | 0 | 0 | 110.2 | F131 V135 | F131-W133 HydrophobicContact CB-CG 4.43Å; F131-W133 HydrophobicContact CB-CZ2 4.36Å; F131-W133 VanDerWaalsContact CB-NE1 3.31Å; F131-W133 HydrophobicContact CD1-CD2 4.33Å; F131-W133 AromaticContact CD1-CE2 3.81Å; F131-W133 HydrophobicContact CD1-CH2 4.17Å; F131-W133 AromaticContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CD1-CZ2 3.72Å; F131-W133 HydrophobicContact CE1-CH2 4.3Å; F131-W133 HydrophobicContact CE1-CZ2 4.19Å; F131-W133 AromaticContact CG-CE2 3.97Å; F131-W133 HydrophobicContact CG-CZ2 4.02Å; F131-W133 AromaticContact CG-NE1 3.93Å; F131-W133 PolarHBondContact O-N 3.3Å; W133-V135 PolarHBondContact O-N 3.5Å | ||
| 134 | P | 35.9 | Very low | 41.3 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | trans | -68.5 | 121.2 | 173.3 | 26.1 | -30.5 | 0 | 0 | 0 | 109.7 | S136 | P134-S136 PolarHBondContact O-N 3.19Š| ||
| 135 | V | 34.1 | Very low | 40.8 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | -75.2 | 113.5 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | W133 | W133-V135 PolarHBondContact O-N 3.5Š| ||
| 136 | S | 36.5 | Very low | 40.1 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -80.7 | 121.1 | 172.1 | -174.6 | 0 | 0 | 0 | 0 | 109 | P134 T138 | P134-S136 PolarHBondContact O-N 3.19Å; S136-T138 PolarHBondContact OG-OG1 2.95Å; S136-T138 VanDerWaalsContact OG-OG1 3.08Å | ||
| 137 | E | 40.5 | Very low | 39.8 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -89.6 | -1.6 | -177.8 | -62.6 | -176.3 | 173.2 | 0 | 0 | 113.3 | I139 | E137-I139 PolarHBondContact O-N 2.89Š| ||
| 138 | T | 33 | Very low | 39.8 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | -79.8 | 114.7 | -175.6 | 9.3 | 0 | 0 | 0 | 0 | 112.3 | S136 | S136-T138 PolarHBondContact OG-OG1 2.95Å; S136-T138 VanDerWaalsContact OG-OG1 3.08Å | ||
| 139 | I | 41.7 | Very low | 39.5 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -88 | 114.4 | 177.5 | -57.7 | 171.3 | 0 | 0 | 0 | 109.1 | E137 | E137-I139 PolarHBondContact O-N 2.89Š| ||
| 140 | C | 45 | Very low | 39.3 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 147.1 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 141 | P | 39.2 | Very low | 39.3 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 156.9 | 179.8 | 28.1 | -34 | 0 | 0 | 0 | 113.3 | I143 | P141-I143 PolarHBondContact O-N 3.45Š|
| 142 | P | 44.2 | Very low | 39.1 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 126.7 | -175.8 | 27.9 | -33.3 | 0 | 0 | 0 | 112.9 | ||
| 143 | I | 45 | Very low | 39.4 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 131 | 176.1 | -54.9 | 172.2 | 0 | 0 | 0 | 110.1 | R7 P141 | R7-I143 PolarHBondContact NH2-O 3.42Å; P141-I143 PolarHBondContact O-N 3.45Å |
| 144 | P | 36.3 | Very low | 39.1 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 145.7 | 175.3 | 26.7 | -30.8 | 0 | 0 | 0 | 112.4 | ||
| 145 | F | 40 | Very low | 39.1 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | trans | -115 | 123.6 | -175.7 | 176.8 | -93.9 | 0 | 0 | 0 | 110.1 | P147 | F145-P147 HydrophobicContact CE1-CB 4.24Š| ||
| 146 | E | 34.7 | Very low | 39.2 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -91.1 | 124.1 | 167.9 | -92.3 | -160.4 | 153 | 0 | 0 | 110.8 | L148 | E146-L148 PolarHBondContact O-N 2.89Š| ||
| 147 | P | 38.3 | Very low | 39.2 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | trans | -72.2 | 126.3 | 174.9 | 26.6 | -29.5 | 0 | 0 | 0 | 111 | F145 L149 | F145-P147 HydrophobicContact CE1-CB 4.24Å; P147-L149 PolarHBondContact O-N 2.94Å; P147-L149 VanDerWaalsContact O-N 3.09Å | ||
| 148 | L | 42.2 | Very low | 39.1 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -55.8 | 114.5 | 173.4 | -63.2 | 170.3 | 0 | 0 | 0 | 110 | E146 I150 | E146-L148 PolarHBondContact O-N 2.89Å; L148-I150 PolarHBondContact O-N 2.84Å | ||
| 149 | L | 38.5 | Very low | 39.2 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -58.1 | 116.4 | 173.5 | -75.8 | 164 | 0 | 0 | 0 | 108.8 | P147 E151 | P147-L149 PolarHBondContact O-N 2.94Å; P147-L149 VanDerWaalsContact O-N 3.09Å; L149-E151 PolarHBondContact O-N 3.21Å; L149-E151 VanDerWaalsContact O-N 3.15Å | ||
| 150 | I | 43.1 | Very low | 38.9 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | trans | -77.3 | 99.5 | 170.9 | -59.4 | 166.1 | 0 | 0 | 0 | 104.9 | L148 S152 | L148-I150 PolarHBondContact O-N 2.84Å; I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.08Å | ||
| 151 | E | 39.7 | Very low | 38.5 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -60.6 | 99.8 | 169.4 | -70.8 | -170.1 | 169.2 | 0 | 0 | 108.4 | L149 K153 | L149-E151 PolarHBondContact O-N 3.21Å; L149-E151 VanDerWaalsContact O-N 3.15Å; E151-K153 PolarHBondContact O-N 3.43Å | ||
| 152 | S | 39.2 | Very low | 38.4 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -71 | 77.6 | 167.4 | 54.1 | 0 | 0 | 0 | 0 | 108.4 | I150 | I150-S152 VanDerWaalsContact C-N 3.33Å; I150-S152 PolarHBondContact O-N 3.08Å | ||
| 153 | K | 40.9 | Very low | 38.1 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -102.7 | 104.1 | 159.3 | -73.3 | -141.4 | 177.1 | -177.1 | 0 | 108 | E151 S155 | E151-K153 PolarHBondContact O-N 3.43Å; K153-S155 PolarHBondContact O-N 3.39Å | ||
| 154 | G | 32.2 | Very low | 37.6 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -53.4 | 121.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 155 | S | 37.4 | Very low | 37.7 | Very low | 101 Ų | 101 | 149 Ų | 149 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 93 | 157.4 | -168.1 | 0 | 0 | 0 | 0 | 105.9 | K153 D157 | K153-S155 PolarHBondContact O-N 3.39Å; S155-D157 VanDerWaalsContact C-N 3.26Å; S155-D157 PolarHBondContact O-N 2.97Å | ||
| 156 | T | 35.5 | Very low | 37.5 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -67.9 | 87.6 | 170 | -23.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 157 | D | 36.3 | Very low | 37.5 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -133.4 | 108.6 | 163.2 | -95.6 | -36.7 | 0 | 0 | 0 | 110.7 | S155 R159 | S155-D157 VanDerWaalsContact C-N 3.26Å; S155-D157 PolarHBondContact O-N 2.97Å; D157-R159 PolarHBondContact O-N 3.5Å | ||
| 158 | H | 39.7 | Very low | 37.5 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 113.2 | 173.1 | -67.8 | -82.9 | 0 | 0 | 0 | 109.3 | ||||
| 159 | R | 34 | Very low | 37 | Very low | 238 Ų | 238 | 147.3 Ų | 147.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | 140 | 81.4 | 147.3 | -79.8 | 176.6 | 169.1 | -161.2 | -1.4 | 111 | D157 | D157-R159 PolarHBondContact O-N 3.5Š| ||
| 160 | S | 36.1 | Very low | 36.6 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -122.6 | 90.7 | 158.3 | -59.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 161 | S | 35.6 | Very low | 36.2 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -56 | 151.2 | 169.8 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | I163 | S161-I163 PolarHBondContact O-N 2.88Š| ||
| 162 | P | 38.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -63.7 | 134.2 | -171.4 | -4.9 | 16 | 0 | 0 | 0 | 111.1 | F164 | P162-F164 PolarHBondContact O-N 3.29Š| ||
| 163 | I | 37.7 | Very low | 35.6 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -57.7 | 103.1 | 175.9 | -60 | 167.5 | 0 | 0 | 0 | 108.3 | S161 Y165 | S161-I163 PolarHBondContact O-N 2.88Å; I163-Y165 PolarHBondContact O-N 3.3Å | ||
| 164 | F | 34 | Very low | 35.2 | Very low | 198 Ų | 198 | 137.3 Ų | 137.3 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 108.6 | 166 | -88.5 | -93.2 | 0 | 0 | 0 | 107.4 | P162 S166 | P162-F164 PolarHBondContact O-N 3.29Å; F164-S166 PolarHBondContact O-N 3.11Å | ||
| 165 | Y | 38.3 | Very low | 35.3 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 82% | 0.82 | 78% | 0.778 | S | S | * | * | trans | -62.9 | 106.8 | 167.3 | -69.9 | -89.5 | 0 | 0 | 0 | 107.8 | I163 K167 | I163-Y165 PolarHBondContact O-N 3.3Å; Y165-K167 PolarHBondContact O-N 3.43Å | ||
| 166 | S | 35.8 | Very low | 34.9 | Very low | 100 Ų | 100 | 149.1 Ų | 149.1 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -57 | 127.3 | 169.8 | 50.4 | 0 | 0 | 0 | 0 | 108.5 | F164 T168 | F164-S166 PolarHBondContact O-N 3.11Å; S166-T168 VanDerWaalsContact C-N 3.34Å; S166-T168 PolarHBondContact O-N 3.37Å | ||
| 167 | K | 35.1 | Very low | 34.9 | Very low | 196 Ų | 196 | 150.6 Ų | 150.6 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -54.1 | 91.9 | 177.4 | -153.2 | 179.3 | -171 | -176.8 | 0 | 108.6 | Y165 D169 | Y165-K167 PolarHBondContact O-N 3.43Å; K167-D169 PolarHBondContact O-N 3.18Å | ||
| 168 | T | 36.8 | Very low | 35.1 | Very low | 121 Ų | 121 | 148.6 Ų | 148.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -67.3 | 114.8 | 170.3 | 39.1 | 0 | 0 | 0 | 0 | 107.1 | S166 C170 | S166-T168 VanDerWaalsContact C-N 3.34Å; S166-T168 PolarHBondContact O-N 3.37Å; T168-C170 PolarHBondContact O-N 3.43Å | ||
| 169 | D | 31.9 | Very low | 34.8 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -53.4 | 111.4 | 176 | -65.2 | -49.9 | 0 | 0 | 0 | 109.4 | K167 | K167-D169 PolarHBondContact O-N 3.18Š| ||
| 170 | C | 31.3 | Very low | 34.7 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -60.9 | 128.1 | 170.3 | -74.1 | 0 | 0 | 0 | 0 | 107.4 | T168 T172 | T168-C170 PolarHBondContact O-N 3.43Å; C170-T172 PolarHBondContact O-N 3.02Å | ||
| 171 | P | 33.9 | Very low | 34.6 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -64.7 | 103.1 | 178 | 25.7 | -31.3 | 0 | 0 | 0 | 107.9 | T173 | P171-T173 PolarHBondContact O-N 2.8Š| ||
| 172 | T | 32.9 | Very low | 34.4 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -57.8 | 101.9 | 169.4 | -53.7 | 0 | 0 | 0 | 0 | 106.6 | C170 S174 | C170-T172 PolarHBondContact O-N 3.02Å; T172-S174 PolarHBondContact O-N 3Å | ||
| 173 | T | 34 | Very low | 34.3 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -66.2 | 82.9 | 163.8 | 52.3 | 0 | 0 | 0 | 0 | 106.7 | P171 R175 | P171-T173 PolarHBondContact O-N 2.8Å; T173-R175 PolarHBondContact O-N 2.96Å | ||
| 174 | S | 33.1 | Very low | 34.1 | Very low | 90 Ų | 90 | 145 Ų | 145 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | -68.7 | 83.7 | 170.8 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | T172 K176 | T172-S174 PolarHBondContact O-N 3Å; S174-K176 PolarHBondContact O-N 2.76Å | ||
| 175 | R | 33.3 | Very low | 34.1 | Very low | 238 Ų | 238 | 144.5 Ų | 144.5 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -83.9 | 96.3 | 154.2 | -111.1 | -176.4 | 174.5 | -179.6 | -1.8 | 105.6 | T173 H177 | T173-R175 PolarHBondContact O-N 2.96Å; R175-H177 PolarHBondContact O-N 2.91Å | ||
| 176 | K | 29.1 | Very low | 33.8 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -53.9 | 106 | 165.4 | -69.4 | -172.4 | 176.1 | -174.1 | 0 | 107.6 | S174 | S174-K176 PolarHBondContact O-N 2.76Š| ||
| 177 | H | 35.8 | Very low | 33.5 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | -93.6 | 114.7 | 155.6 | -156.6 | -45.5 | 0 | 0 | 0 | 105.1 | R175 D179 | R175-H177 PolarHBondContact O-N 2.91Å; H177-D179 PolarHBondContact O-N 3.2Å | ||
| 178 | P | 41 | Very low | 33.4 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -67.3 | 121.6 | 167.2 | 29.4 | -28.6 | 0 | 0 | 0 | 105.8 | ||
| 179 | D | 33.4 | Very low | 33 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 148.4 | 51.2 | 163.7 | -69.3 | -18.5 | 0 | 0 | 0 | 107.4 | H177 V181 | H177-D179 PolarHBondContact O-N 3.2Å; D179-V181 PolarHBondContact O-N 2.99Å | ||
| 180 | D | 30.7 | Very low | 33 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -79 | 80.7 | 171.8 | -146.6 | 7.1 | 0 | 0 | 0 | 106.3 | T182 | D180-T182 PolarHBondContact O-N 3.43Å; D180-T182 VanDerWaalsContact O-N 3.1Å | ||
| 181 | V | 34.6 | Very low | 32.8 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 70% | 0.703 | 77% | 0.77 | S | S | * | * | trans | -71.7 | 100.8 | 168.6 | 177.7 | 0 | 0 | 0 | 0 | 106 | D179 V183 | D179-V181 PolarHBondContact O-N 2.99Å; V181-V183 PolarHBondContact O-N 3.15Å | ||
| 182 | T | 32 | Very low | 32.6 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -47.7 | 100.8 | 168.1 | 7.6 | 0 | 0 | 0 | 0 | 109.6 | D180 D184 | D180-T182 PolarHBondContact O-N 3.43Å; D180-T182 VanDerWaalsContact O-N 3.1Å; T182-D184 PolarHBondContact O-N 3.18Å | ||
| 183 | V | 36.1 | Very low | 32.6 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | -84.1 | 97.2 | 168.8 | -176.3 | 0 | 0 | 0 | 0 | 106.3 | V181 E185 | V181-V183 PolarHBondContact O-N 3.15Å; V183-E185 PolarHBondContact O-N 2.82Å | ||
| 184 | D | 33.1 | Very low | 32.4 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -63 | 109.2 | 170.3 | -156.3 | 15.7 | 0 | 0 | 0 | 107.7 | T182 V186 | T182-D184 PolarHBondContact O-N 3.18Å; D184-V186 PolarHBondContact O-N 3.01Å | ||
| 185 | E | 34.2 | Very low | 32.4 | Very low | 188 Ų | 188 | 149.7 Ų | 149.7 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -70.4 | 79.3 | 175.9 | -78.3 | -147.4 | 158 | 0 | 0 | 109.2 | V183 A187 | V183-E185 PolarHBondContact O-N 2.82Å; E185-A187 PolarHBondContact O-N 3.28Å; E185-A187 VanDerWaalsContact O-N 3.15Å | ||
| 186 | V | 30.5 | Very low | 32.3 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -71.4 | 108.4 | 167.4 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | D184 L188 | D184-V186 PolarHBondContact O-N 3.01Å; V186-L188 PolarHBondContact O-N 3Å | ||
| 187 | A | 30.6 | Very low | 32.3 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -53.2 | 103.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E185 D189 | E185-A187 PolarHBondContact O-N 3.28Å; E185-A187 VanDerWaalsContact O-N 3.15Å; A187-D189 VanDerWaalsContact C-N 3.34Å; A187-D189 PolarHBondContact O-N 3.1Å | ||
| 188 | L | 32.2 | Very low | 32.1 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -86.2 | 82.5 | 166.5 | -73.1 | 169.2 | 0 | 0 | 0 | 108.9 | V186 | V186-L188 PolarHBondContact O-N 3Š| ||
| 189 | D | 29.3 | Very low | 32.1 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -68.7 | 132.6 | 148.7 | -173 | 22.2 | 0 | 0 | 0 | 107.8 | A187 | A187-D189 VanDerWaalsContact C-N 3.34Å; A187-D189 PolarHBondContact O-N 3.1Å | ||
| 190 | V | 30.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 167.4 | 118.5 | 150.1 | 155.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 191 | G | 28.8 | Very low | 32.4 | Very low | 63 Ų | 63 | 140.9 Ų | 140.9 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 103 | 77.2 | 130.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | K193 | G191-K193 PolarHBondContact O-N 2.92Š| ||
| 192 | R | 29.1 | Very low | 32.3 | Very low | 246 Ų | 246 | 145 Ų | 145 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | trans | -40.5 | 117.4 | 149.9 | -83.8 | 173.5 | 168.3 | 170 | -4.1 | 110.6 | ||||
| 193 | K | 31.9 | Very low | 32.7 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.787 | 81% | 0.808 | S | S | * | * | trans | -106.4 | 99 | 160.4 | -119.1 | 172.2 | -178.4 | 172.9 | 0 | 108.3 | G191 F195 | G191-K193 PolarHBondContact O-N 2.92Å; K193-F195 HydrophobicContact CB-CE2 4.45Å; K193-F195 PolarHBondContact O-N 3.28Å | ||
| 194 | T | 30.3 | Very low | 32.6 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 81% | 0.808 | S | S | * | * | trans | -66.5 | 117.1 | 167.8 | 39.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 195 | F | 32.9 | Very low | 33.1 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -97.1 | 100.8 | 160.3 | -74.5 | -81.5 | 0 | 0 | 0 | 107.4 | K193 | K193-F195 HydrophobicContact CB-CE2 4.45Å; K193-F195 PolarHBondContact O-N 3.28Å | ||
| 196 | S | 31.5 | Very low | 33.3 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 132.8 | 170.5 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 197 | L | 29.8 | Very low | 33.7 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -49.7 | 135 | 165.6 | -100 | 76.4 | 0 | 0 | 0 | 111.2 | ||||
| 198 | A | 30.9 | Very low | 34.1 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -108.5 | 128.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 199 | P | 42.3 | Very low | 34.9 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | trans | -102.3 | 135 | 172.6 | 34.6 | -25.7 | 0 | 0 | 0 | 111.7 | ||||
| 200 | S | 33.2 | Very low | 35.1 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 76% | 0.762 | 85% | 0.849 | S | S | * | * | trans | -157.9 | 135.2 | 160.5 | 60.4 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 201 | E | 35.8 | Very low | 35.4 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 87% | 0.869 | 85% | 0.848 | S | S | * | * | cis | -152.2 | 145.4 | 43.6 | -70.4 | 173.2 | 128.5 | 0 | 0 | 110.3 | ||||
| 202 | Q | 32.9 | Very low | 35.7 | Very low | 201 Ų | 201 | 158.3 Ų | 158.3 | 94% | 0.939 | 86% | 0.859 | S | S | * | * | trans | -68.7 | 136.3 | 164.9 | -68.4 | 168.7 | 1.3 | 0 | 0 | 109.1 | ||||
| 203 | S | 39.8 | Very low | 36.1 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 85% | 0.846 | 86% | 0.855 | S | S | * | * | trans | -130.4 | 119.1 | 155.5 | -149.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 204 | N | 35.4 | Very low | 36.4 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 75% | 0.749 | 86% | 0.86 | S | S | * | * | trans | -81.2 | 131 | -171.8 | -161.6 | -10.1 | 0 | 0 | 0 | 108.5 | ||||
| 205 | S | 42 | Very low | 36.8 | Very low | 121 Ų | 121 | 153.2 Ų | 153.2 | 85% | 0.846 | 87% | 0.866 | S | S | * | * | trans | -126.9 | 93.6 | 166.4 | -56.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 206 | K | 40.3 | Very low | 37.1 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 87% | 0.869 | S | S | * | * | trans | -98 | 111 | 175 | -176.6 | 178.6 | -173.9 | -177.9 | 0 | 106.8 | ||||
| 207 | E | 38.4 | Very low | 37.5 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 88% | 0.875 | S | S | * | * | trans | -163.7 | 120.1 | 156 | -118.6 | -179.9 | 160.4 | 0 | 0 | 107.2 | ||||
| 208 | I | 38.5 | Very low | 38.2 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 87% | 0.867 | 87% | 0.874 | S | S | * | * | -178.7 | 114.9 | 127.8 | -81.6 | 146.2 | 0 | 0 | 0 | 106.5 | |||||
| 209 | S | 48.7 | Very low | 38.8 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 100% | 1.35 | 88% | 0.881 | S | S | * | * | trans | 83.9 | 0 | 161.9 | -141.5 | 0 | 0 | 0 | 0 | 120.3 |
Retrieved 209 of 209 residues in 54.2 ms
(Link to these results)