| 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 | 53.5 | Low | 63.9 | Low | 195 Ų | 195 | 104.6 Ų | 104.6 | 96% | 0.961 | 54% | 0.538 | S | S | * | . | 0 | -67.1 | 0 | -107.8 | 168.8 | 52.1 | 0 | 0 | 112.6 | M3 Q5 | M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 3.3Å; M1-Q5 WeakPolarHBondContact O-CG 3.36Å; M1-Q5 PolarHBondContact O-N 3.14Å | |||
| 2 | L | 52.5 | Low | 64.1 | Low | 140 Ų | 140 | 106.8 Ų | 106.8 | 73% | 0.733 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.8 | -34.2 | 176.8 | -118.4 | 97 | 0 | 0 | 0 | 113.2 | Q5 V6 | L2-Q5 PolarHBondContact O-N 3.15Å; L2-V6 WeakPolarHBondContact O-CG2 3.29Å; L2-V6 PolarHBondContact O-N 3.02Å |
| 3 | M | 57.6 | Low | 63.2 | Low | 78 Ų | 78 | 105.6 Ų | 105.6 | 38% | 0.384 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -48.6 | -179.9 | -42.3 | -51.3 | -111.2 | 0 | 0 | 112.2 | M1 Q5 V6 L7 F89 N93 | M1-M3 VanDerWaalsContact C-N 3.33Å; M1-M3 PolarHBondContact O-N 3.3Å; M3-Q5 VanDerWaalsContact C-N 3.3Å; M3-Q5 PolarHBondContact O-N 3.26Å; M3-V6 PolarHBondContact O-N 2.99Å; M3-L7 WeakPolarHBondContact O-CB 3.28Å; M3-L7 PolarHBondContact O-N 3.11Å; M3-F89 HydrophobicContact CB-CZ 3.98Å; M3-F89 HydrophobicContact CE-CD2 4.14Å; M3-F89 HydrophobicContact CE-CE1 4.22Å; M3-F89 HydrophobicContact CE-CE2 3.07Å; M3-F89 HydrophobicContact CE-CZ 3.12Å; M3-F89 HydrophobicContact CG-CZ 4.11Å; M3-F89 HydrophobicContact SD-CE2 3.25Å; M3-F89 WeakPolarHBondContact SD-CE2 3.3Å; M3-F89 HydrophobicContact SD-CZ 3.41Å; M3-F89 WeakPolarHBondContact SD-CZ 3.38Å; M3-N93 WeakPolarHBondContact CE-ND2 3.44Å; M3-N93 WeakPolarHBondContact CE-OD1 3.21Å |
| 4 | E | 61.4 | Low | 62.3 | Low | 130 Ų | 130 | 109.2 Ų | 109.2 | 61% | 0.607 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.5 | -43.5 | 176.1 | -64 | -65.1 | 108.4 | 0 | 0 | 110 | V6 L7 L8 | E4-V6 PolarHBondContact O-N 2.8Å; E4-L7 PolarHBondContact O-N 3Å; E4-L8 WeakPolarHBondContact O-CA 3.39Å; E4-L8 WeakPolarHBondContact O-CB 3.22Å; E4-L8 PolarHBondContact O-N 2.92Å |
| 5 | Q | 63 | Low | 61.1 | Low | 120 Ų | 120 | 107.6 Ų | 107.6 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.1 | -39.6 | -178.9 | -66.8 | -73.3 | 92 | 0 | 0 | 112.7 | M1 L2 M3 C9 | M1-Q5 WeakPolarHBondContact O-CG 3.36Å; M1-Q5 PolarHBondContact O-N 3.14Å; L2-Q5 PolarHBondContact O-N 3.15Å; M3-Q5 VanDerWaalsContact C-N 3.3Å; M3-Q5 PolarHBondContact O-N 3.26Å; Q5-C9 WeakPolarHBondContact O-CB 3.44Å; Q5-C9 PolarHBondContact O-N 2.88Å; Q5-C9 PolarHBondContact O-SG 3.1Å |
| 6 | V | 67.8 | Low | 59.9 | Low | 62 Ų | 62 | 106.8 Ų | 106.8 | 38% | 0.376 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.4 | -41 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L2 M3 E4 C9 F10 | L2-V6 WeakPolarHBondContact O-CG2 3.29Å; L2-V6 PolarHBondContact O-N 3.02Å; M3-V6 PolarHBondContact O-N 2.99Å; E4-V6 PolarHBondContact O-N 2.8Å; V6-C9 PolarHBondContact O-N 3.05Å; V6-F10 PolarHBondContact O-N 2.74Å; V6-F10 VanDerWaalsContact O-N 3.1Å |
| 7 | L | 70.5 | Confident | 58.9 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 38% | 0.377 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.4 | -36.8 | 176 | -170 | 67.5 | 0 | 0 | 0 | 111.8 | M3 E4 F10 L11 | M3-L7 WeakPolarHBondContact O-CB 3.28Å; M3-L7 PolarHBondContact O-N 3.11Å; E4-L7 PolarHBondContact O-N 3Å; L7-F10 WeakPolarHBondContact O-CB 3.37Å; L7-F10 PolarHBondContact O-N 2.87Å; L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 PolarHBondContact O-N 3.32Å |
| 8 | L | 72.5 | Confident | 57.9 | Low | 103 Ų | 103 | 109.8 Ų | 109.8 | 54% | 0.539 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.3 | -42.5 | 175.4 | -165.7 | 80.2 | 0 | 0 | 0 | 110.7 | E4 F10 L11 L12 | E4-L8 WeakPolarHBondContact O-CA 3.39Å; E4-L8 WeakPolarHBondContact O-CB 3.22Å; E4-L8 PolarHBondContact O-N 2.92Å; L8-F10 VanDerWaalsContact C-N 3.28Å; L8-F10 PolarHBondContact O-N 3.17Å; L8-L11 PolarHBondContact O-N 3.1Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 3.16Å |
| 9 | C | 69.1 | Low | 57.1 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 57% | 0.574 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.4 | -39.9 | 172.4 | -73.6 | 0 | 0 | 0 | 0 | 111.7 | Q5 V6 C13 | Q5-C9 WeakPolarHBondContact O-CB 3.44Å; Q5-C9 PolarHBondContact O-N 2.88Å; Q5-C9 PolarHBondContact O-SG 3.1Å; V6-C9 PolarHBondContact O-N 3.05Å; C9-C13 WeakPolarHBondContact O-CB 3.35Å; C9-C13 PolarHBondContact O-N 3.45Å |
| 10 | F | 67.4 | Low | 56.9 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 34% | 0.342 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.4 | -46.4 | 175.5 | 179.5 | -103.1 | 0 | 0 | 0 | 112.8 | V6 L7 L8 C13 R14 F82 | V6-F10 PolarHBondContact O-N 2.74Å; V6-F10 VanDerWaalsContact O-N 3.1Å; L7-F10 WeakPolarHBondContact O-CB 3.37Å; L7-F10 PolarHBondContact O-N 2.87Å; L8-F10 VanDerWaalsContact C-N 3.28Å; L8-F10 PolarHBondContact O-N 3.17Å; F10-C13 PolarHBondContact O-N 3.27Å; F10-R14 WeakPolarHBondContact O-CB 3.32Å; F10-R14 PolarHBondContact O-N 2.93Å; F10-F82 AromaticContact CD2-CE1 3.73Å; F10-F82 HydrophobicContact CD2-CE1 3.73Å; F10-F82 HydrophobicContact CD2-CZ 4.27Å; F10-F82 HydrophobicContact CE2-CE1 4.3Å |
| 11 | L | 67.6 | Low | 56.2 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 46% | 0.461 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.4 | -37.3 | 178.1 | -77.9 | 167.6 | 0 | 0 | 0 | 112.3 | L7 L8 S15 | L7-L11 HydrophobicContact CG-CD1 4.29Å; L7-L11 PolarHBondContact O-N 3.32Å; L8-L11 PolarHBondContact O-N 3.1Å; L11-S15 WeakPolarHBondContact O-CB 3.16Å; L11-S15 PolarHBondContact O-N 2.98Å |
| 12 | L | 66.4 | Low | 55.6 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 68% | 0.681 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.6 | -42.4 | 176.2 | -162.2 | 82.8 | 0 | 0 | 0 | 111.1 | L8 S15 S16 | L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 PolarHBondContact O-N 3.16Å; L12-S15 PolarHBondContact O-N 2.94Å; L12-S16 PolarHBondContact O-N 2.74Å |
| 13 | C | 52.1 | Low | 55.4 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 62% | 0.622 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.5 | -40.1 | 176.5 | -168.7 | 0 | 0 | 0 | 0 | 111.7 | C9 F10 S15 S16 | C9-C13 WeakPolarHBondContact O-CB 3.35Å; C9-C13 PolarHBondContact O-N 3.45Å; F10-C13 PolarHBondContact O-N 3.27Å; C13-S15 VanDerWaalsContact C-N 3.33Å; C13-S15 PolarHBondContact O-N 3.12Å; C13-S16 PolarHBondContact O-N 2.91Å |
| 14 | R | 51 | Low | 55.3 | Low | 156 Ų | 156 | 118 Ų | 118 | 59% | 0.589 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.6 | -36.9 | 175 | -163.8 | 170.7 | 88.8 | 157.7 | 5.8 | 112.6 | F10 S16 S17 | F10-R14 WeakPolarHBondContact O-CB 3.32Å; F10-R14 PolarHBondContact O-N 2.93Å; R14-S16 VanDerWaalsContact C-N 3.29Å; R14-S16 PolarHBondContact O-N 3.15Å; R14-S17 PolarHBondContact O-N 3.21Å |
| 15 | S | 43.6 | Very low | 54.3 | Low | 85 Ų | 85 | 117.2 Ų | 117.2 | 59% | 0.594 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.2 | -30 | 176.8 | -164.9 | 0 | 0 | 0 | 0 | 112.9 | L11 L12 C13 S17 | L11-S15 WeakPolarHBondContact O-CB 3.16Å; L11-S15 PolarHBondContact O-N 2.98Å; L12-S15 PolarHBondContact O-N 2.94Å; C13-S15 VanDerWaalsContact C-N 3.33Å; C13-S15 PolarHBondContact O-N 3.12Å; S15-S17 VanDerWaalsContact C-N 3.29Å; S15-S17 PolarHBondContact O-N 3.32Å |
| 16 | S | 43 | Very low | 53.8 | Low | 95 Ų | 95 | 117.4 Ų | 117.4 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.6 | -15.7 | -178.6 | -165.1 | 0 | 0 | 0 | 0 | 114.1 | L12 C13 R14 | L12-S16 PolarHBondContact O-N 2.74Å; C13-S16 PolarHBondContact O-N 2.91Å; R14-S16 VanDerWaalsContact C-N 3.29Å; R14-S16 PolarHBondContact O-N 3.15Å |
| 17 | S | 43.2 | Very low | 53.1 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 76% | 0.755 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -1.7 | -176.8 | -159 | 0 | 0 | 0 | 0 | 114.1 | R14 S15 | R14-S17 PolarHBondContact O-N 3.21Å; S15-S17 VanDerWaalsContact C-N 3.29Å; S15-S17 PolarHBondContact O-N 3.32Å |
| 18 | E | 40.5 | Very low | 52.4 | Low | 159 Ų | 159 | 124.7 Ų | 124.7 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | -122 | 47.5 | -176.7 | -64.4 | -170.5 | 107.5 | 0 | 0 | 112.8 | ||||
| 19 | T | 43.2 | Very low | 51.4 | Low | 124 Ų | 124 | 122.7 Ų | 122.7 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | trans | -118.5 | 65.4 | 167.2 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 20 | L | 52.1 | Low | 50.8 | Low | 167 Ų | 167 | 124.9 Ų | 124.9 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -131.5 | 108.5 | 145.5 | -167.3 | 76.7 | 0 | 0 | 0 | 107.3 | ||||
| 21 | Q | 42.7 | Very low | 50.4 | Low | 173 Ų | 173 | 129.1 Ų | 129.1 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 144.1 | 103.6 | 141.4 | -165.3 | 168.7 | 108.1 | 0 | 0 | 113.8 | ||
| 22 | K | 41.4 | Very low | 50.1 | Low | 180 Ų | 180 | 131.7 Ų | 131.7 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 73.1 | 101.4 | 134.1 | -123.7 | 161.9 | -175.4 | 179.7 | 0 | 119.4 | ||||
| 23 | N | 47.3 | Very low | 49.6 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | -21.6 | 129 | 145.4 | 54.9 | -6.1 | 0 | 0 | 0 | 116.6 | ||||
| 24 | N | 54.7 | Low | 50 | Low | 147 Ų | 147 | 133.2 Ų | 133.2 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | 168.4 | 114.3 | 123.3 | -88.5 | -48.1 | 0 | 0 | 0 | 108.5 | |||||
| 25 | S | 42 | Very low | 50.4 | Low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -155.7 | 124.1 | 154.2 | -84 | 0 | 0 | 0 | 0 | 110.2 | N27 | S25-N27 PolarHBondContact O-N 3.01Š| ||
| 26 | S | 52.3 | Low | 51 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -56.1 | 119.2 | -178.4 | -51 | 0 | 0 | 0 | 0 | 112 | S28 | S26-S28 PolarHBondContact O-N 2.93Š| ||
| 27 | N | 51.8 | Low | 51.4 | Low | 162 Ų | 162 | 133.3 Ų | 133.3 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -84.1 | 97.8 | 167.9 | -66.3 | -38.2 | 0 | 0 | 0 | 108.3 | S25 G29 | S25-N27 PolarHBondContact O-N 3.01Å; N27-G29 VanDerWaalsContact C-N 3.27Å; N27-G29 PolarHBondContact O-N 3.41Å | ||
| 28 | S | 56.6 | Low | 52 | Low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -64.3 | 89.7 | 162.5 | 174.6 | 0 | 0 | 0 | 0 | 108.5 | S26 | S26-S28 PolarHBondContact O-N 2.93Š| ||
| 29 | G | 50.9 | Low | 52.7 | Low | 60 Ų | 60 | 137.8 Ų | 137.8 | 62% | 0.619 | 77% | 0.773 | S | S | * | * | trans | -95.7 | 126.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N27 I31 | N27-G29 VanDerWaalsContact C-N 3.27Å; N27-G29 PolarHBondContact O-N 3.41Å; G29-I31 PolarHBondContact O-N 3.22Å | ||
| 30 | V | 56.3 | Low | 52.9 | Low | 132 Ų | 132 | 135.5 Ų | 135.5 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -67.2 | 123.2 | 165.4 | -69.4 | 0 | 0 | 0 | 0 | 108.8 | L32 | V30-L32 PolarHBondContact O-N 3.5Š| ||
| 31 | I | 59.1 | Low | 53 | Low | 166 Ų | 166 | 134.8 Ų | 134.8 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | trans | -80.8 | 111.6 | 175.8 | -61.2 | 169.4 | 0 | 0 | 0 | 107.1 | G29 | G29-I31 PolarHBondContact O-N 3.22Š| ||
| 32 | L | 61.4 | Low | 53.4 | Low | 143 Ų | 143 | 131.6 Ų | 131.6 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | trans | -84.7 | 118.8 | 166.6 | -74.2 | 154.5 | 0 | 0 | 0 | 107.4 | V30 I34 | V30-L32 PolarHBondContact O-N 3.5Å; L32-I34 PolarHBondContact O-N 3.39Å; L32-I34 VanDerWaalsContact O-N 3.09Å | ||
| 33 | D | 56.4 | Low | 54 | Low | 109 Ų | 109 | 129.9 Ų | 129.9 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | trans | -72.5 | 99 | -177.2 | -173.6 | 7.4 | 0 | 0 | 0 | 111 | S35 | D33-S35 PolarHBondContact O-N 3.39Å; D33-S35 WeakPolarHBondContact OD1-CB 3.35Å; D33-S35 PolarHBondContact OD1-N 3.45Å; D33-S35 PolarHBondContact OD1-OG 3.43Å | ||
| 34 | I | 60.5 | Low | 54.4 | Low | 145 Ų | 145 | 128.7 Ų | 128.7 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -67.3 | -16.7 | -176.1 | -60 | 137.8 | 0 | 0 | 0 | 111.8 | L32 S36 L37 | L32-I34 PolarHBondContact O-N 3.39Å; L32-I34 VanDerWaalsContact O-N 3.09Å; I34-S36 PolarHBondContact O-N 3.39Å; I34-L37 PolarHBondContact O-N 3.49Å; I34-L37 VanDerWaalsContact O-N 3.14Å |
| 35 | S | 59.2 | Low | 54.3 | Low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -60 | -18.5 | -177.8 | -40.8 | 0 | 0 | 0 | 0 | 114 | D33 | D33-S35 PolarHBondContact O-N 3.39Å; D33-S35 WeakPolarHBondContact OD1-CB 3.35Å; D33-S35 PolarHBondContact OD1-N 3.45Å; D33-S35 PolarHBondContact OD1-OG 3.43Å |
| 36 | S | 56.3 | Low | 55.2 | Low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -93.2 | -6.4 | -177.6 | -60.7 | 0 | 0 | 0 | 0 | 114.2 | I34 K38 | I34-S36 PolarHBondContact O-N 3.39Å; S36-K38 PolarHBondContact O-N 3.25Å |
| 37 | L | 52.2 | Low | 55.4 | Low | 125 Ų | 125 | 129 Ų | 129 | 65% | 0.654 | 74% | 0.739 | S | S | * | * | trans | -95.1 | 82.2 | -175.9 | -156.5 | 77.2 | 0 | 0 | 0 | 111.1 | I34 M39 | I34-L37 PolarHBondContact O-N 3.49Å; I34-L37 VanDerWaalsContact O-N 3.14Å; L37-M39 HydrophobicContact CD2-CE 3.68Å; L37-M39 PolarHBondContact O-N 3.18Å | ||
| 38 | K | 55.4 | Low | 55.9 | Low | 203 Ų | 203 | 127.3 Ų | 127.3 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -73.9 | 92.8 | 169.3 | -179.6 | 144.8 | 177 | 169.3 | 0 | 109.8 | S36 A40 | S36-K38 PolarHBondContact O-N 3.25Å; K38-A40 PolarHBondContact O-N 3.44Å | ||
| 39 | M | 54.9 | Low | 55.9 | Low | 158 Ų | 158 | 128.3 Ų | 128.3 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | trans | -71 | 113.9 | 162 | -75.3 | 172.3 | 174.4 | 0 | 0 | 107.5 | L37 D41 | L37-M39 HydrophobicContact CD2-CE 3.68Å; L37-M39 PolarHBondContact O-N 3.18Å; M39-D41 PolarHBondContact O-N 3.01Å | ||
| 40 | A | 47.5 | Very low | 56.4 | Low | 77 Ų | 77 | 130.2 Ų | 130.2 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | -57.8 | 131.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108 | K38 V42 | K38-A40 PolarHBondContact O-N 3.44Å; A40-V42 VanDerWaalsContact C-N 3.31Å; A40-V42 PolarHBondContact O-N 3.49Å | ||
| 41 | D | 53.8 | Low | 57.1 | Low | 151 Ų | 151 | 129 Ų | 129 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | trans | -58.4 | 94.2 | 176.3 | -163.9 | 27.2 | 0 | 0 | 0 | 108.3 | M39 | M39-D41 PolarHBondContact O-N 3.01Š| ||
| 42 | V | 51.3 | Low | 57.6 | Low | 106 Ų | 106 | 131.1 Ų | 131.1 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -99.2 | 102.7 | 167.1 | 170.9 | 0 | 0 | 0 | 0 | 103.9 | A40 T44 | A40-V42 VanDerWaalsContact C-N 3.31Å; A40-V42 PolarHBondContact O-N 3.49Å; V42-T44 VanDerWaalsContact C-N 3.26Å; V42-T44 WeakPolarHBondContact O-CB 3.48Å; V42-T44 PolarHBondContact O-N 3.1Å; V42-T44 PolarHBondContact O-OG1 3.2Å | ||
| 43 | D | 53.3 | Low | 57.5 | Low | 144 Ų | 144 | 133.7 Ų | 133.7 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -38.8 | 92.7 | 165.3 | -72.1 | -70.1 | 0 | 0 | 0 | 109.6 | ||||
| 44 | T | 56.2 | Low | 57.8 | Low | 100 Ų | 100 | 135.6 Ų | 135.6 | 61% | 0.613 | 73% | 0.725 | S | S | * | * | trans | -107.9 | 79.9 | -178.1 | -63.1 | 0 | 0 | 0 | 0 | 105.5 | V42 V46 | V42-T44 VanDerWaalsContact C-N 3.26Å; V42-T44 WeakPolarHBondContact O-CB 3.48Å; V42-T44 PolarHBondContact O-N 3.1Å; V42-T44 PolarHBondContact O-OG1 3.2Å; T44-V46 HydrophobicContact CG2-CB 3.69Å; T44-V46 HydrophobicContact CG2-CG2 3.42Å; T44-V46 VanDerWaalsContact CG2-CG2 3.42Å; T44-V46 PolarHBondContact O-N 2.95Å | ||
| 45 | E | 53.3 | Low | 57.5 | Low | 190 Ų | 190 | 136.6 Ų | 136.6 | 89% | 0.888 | 72% | 0.724 | S | S | * | * | trans | -66.9 | 44.6 | 163.7 | -63.4 | -167.9 | 153.3 | 0 | 0 | 110.9 | P47 | E45-P47 VanDerWaalsContact O-CD 3.28Å; E45-P47 WeakPolarHBondContact O-CD 3.43Å | ||
| 46 | V | 60 | Low | 57.6 | Low | 100 Ų | 100 | 138.2 Ų | 138.2 | 61% | 0.606 | 71% | 0.714 | S | S | * | * | trans | -91.2 | 109.6 | 172 | 178.4 | 0 | 0 | 0 | 0 | 106.3 | T44 | T44-V46 HydrophobicContact CG2-CB 3.69Å; T44-V46 HydrophobicContact CG2-CG2 3.42Å; T44-V46 VanDerWaalsContact CG2-CG2 3.42Å; T44-V46 PolarHBondContact O-N 2.95Å | ||
| 47 | P | 55.8 | Low | 58 | Low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 139.2 | 177.2 | -20.7 | 32.5 | 0 | 0 | 0 | 109 | E45 L49 | E45-P47 VanDerWaalsContact O-CD 3.28Å; E45-P47 WeakPolarHBondContact O-CD 3.43Å; P47-L49 PolarHBondContact O-N 3.04Å; P47-L49 VanDerWaalsContact O-N 3.12Å |
| 48 | P | 64.4 | Low | 58.7 | Low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 126 | 178.6 | 20.8 | -31.3 | 0 | 0 | 0 | 108.9 | ||
| 49 | L | 56.2 | Low | 59.1 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 139.9 | -178.3 | -72.7 | 172.4 | 0 | 0 | 0 | 109.1 | P47 | P47-L49 PolarHBondContact O-N 3.04Å; P47-L49 VanDerWaalsContact O-N 3.12Å |
| 50 | P | 60.7 | Low | 59.5 | Low | 100 Ų | 100 | 132.5 Ų | 132.5 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 143.3 | -179.7 | -26.1 | 32.2 | 0 | 0 | 0 | 111 | R52 | P50-R52 PolarHBondContact O-N 3.46Š|
| 51 | P | 71.8 | Confident | 59.8 | Low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | trans | -49.3 | 110.7 | 177.5 | -27.4 | 34.3 | 0 | 0 | 0 | 110.2 | Y53 | P51-Y53 PolarHBondContact O-N 3.45Å; P51-Y53 VanDerWaalsContact O-N 3.1Å | ||
| 52 | R | 70 | Confident | 59.6 | Low | 210 Ų | 210 | 128.3 Ų | 128.3 | 79% | 0.792 | 66% | 0.662 | S | S | * | * | trans | -77.5 | 102.3 | 174.2 | -60.5 | -147.3 | 82.3 | 132.7 | 5.8 | 106.9 | P50 R54 | P50-R52 PolarHBondContact O-N 3.46Å; R52-R54 PolarHBondContact O-N 3.26Å | ||
| 53 | Y | 58.3 | Low | 59.7 | Low | 196 Ų | 196 | 131.9 Ų | 131.9 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | trans | -53.9 | 112.5 | 174 | -71.2 | -84.1 | 0 | 0 | 0 | 109.5 | P51 | P51-Y53 PolarHBondContact O-N 3.45Å; P51-Y53 VanDerWaalsContact O-N 3.1Å | ||
| 54 | R | 63.6 | Low | 59.5 | Low | 150 Ų | 150 | 129.6 Ų | 129.6 | 57% | 0.566 | 66% | 0.663 | S | S | * | * | trans | -91.9 | 143.8 | 172.2 | -69.9 | -168.7 | 169.8 | 100.1 | -4.4 | 108.1 | R52 R56 D57 L58 | R52-R54 PolarHBondContact O-N 3.26Å; R54-R56 HydrophobicContact CB-CG 4.03Å; R54-R56 PolarHBondContact O-N 3.36Å; R54-D57 PolarHBondContact O-N 2.69Å; R54-L58 PolarHBondContact O-N 2.79Å | ||
| 55 | F | 52.9 | Low | 59 | Low | 166 Ų | 166 | 130.3 Ų | 130.3 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -51.4 | -32.4 | -178.8 | -176.7 | -106.3 | 0 | 0 | 0 | 113.4 | D57 L58 L59 | F55-D57 VanDerWaalsContact C-N 3.31Å; F55-D57 PolarHBondContact O-N 3.13Å; F55-L58 PolarHBondContact O-N 3.17Å; F55-L59 PolarHBondContact O-N 3.41Å; F55-L59 VanDerWaalsContact O-N 3.1Å |
| 56 | R | 61.2 | Low | 58.8 | Low | 142 Ų | 142 | 129.2 Ų | 129.2 | 54% | 0.536 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -57.7 | -38.8 | 173.3 | 77.2 | -171.6 | -178 | -165.2 | 2.2 | 113.1 | R54 L58 L59 L60 | R54-R56 HydrophobicContact CB-CG 4.03Å; R54-R56 PolarHBondContact O-N 3.36Å; R56-L58 VanDerWaalsContact C-N 3.29Å; R56-L59 PolarHBondContact O-N 2.96Å; R56-L60 VanDerWaalsContact O-CB 3.3Å; R56-L60 WeakPolarHBondContact O-CB 3.39Å; R56-L60 VanDerWaalsContact O-CD1 3.32Å; R56-L60 WeakPolarHBondContact O-CD1 3.3Å; R56-L60 PolarHBondContact O-N 3.32Å |
| 57 | D | 65.1 | Low | 58.4 | Low | 74 Ų | 74 | 130 Ų | 130 | 40% | 0.396 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -79.6 | -19.4 | -176.7 | -50.6 | -39.2 | 0 | 0 | 0 | 110.7 | R54 F55 G61 | R54-D57 PolarHBondContact O-N 2.69Å; F55-D57 VanDerWaalsContact C-N 3.31Å; F55-D57 PolarHBondContact O-N 3.13Å; D57-G61 WeakPolarHBondContact O-CA 3.35Å; D57-G61 PolarHBondContact O-N 2.86Å |
| 58 | L | 66.7 | Low | 58.4 | Low | 131 Ų | 131 | 132 Ų | 132 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -81.1 | -28.7 | 172.3 | -135.6 | 70.9 | 0 | 0 | 0 | 111.8 | R54 F55 R56 | R54-L58 PolarHBondContact O-N 2.79Å; F55-L58 PolarHBondContact O-N 3.17Å; R56-L58 VanDerWaalsContact C-N 3.29Å |
| 59 | L | 63.3 | Low | 58.2 | Low | 130 Ų | 130 | 133.5 Ų | 133.5 | 68% | 0.681 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87.2 | -36.7 | 178 | -169 | 67.9 | 0 | 0 | 0 | 112.4 | F55 R56 | F55-L59 PolarHBondContact O-N 3.41Å; F55-L59 VanDerWaalsContact O-N 3.1Å; R56-L59 PolarHBondContact O-N 2.96Å |
| 60 | L | 64.4 | Low | 58.2 | Low | 135 Ų | 135 | 133.5 Ų | 133.5 | 71% | 0.707 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -99.5 | 2 | 177.9 | -77.7 | 75.9 | 0 | 0 | 0 | 112.7 | R56 D62 | R56-L60 VanDerWaalsContact O-CB 3.3Å; R56-L60 WeakPolarHBondContact O-CB 3.39Å; R56-L60 VanDerWaalsContact O-CD1 3.32Å; R56-L60 WeakPolarHBondContact O-CD1 3.3Å; R56-L60 PolarHBondContact O-N 3.32Å; L60-D62 PolarHBondContact O-N 3.39Å |
| 61 | G | 54.1 | Low | 57.8 | Low | 38 Ų | 38 | 134.9 Ų | 134.9 | 39% | 0.392 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -58.9 | 99.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D57 | D57-G61 WeakPolarHBondContact O-CA 3.35Å; D57-G61 PolarHBondContact O-N 2.86Å |
| 62 | D | 49.7 | Very low | 56.9 | Low | 101 Ų | 101 | 138.5 Ų | 138.5 | 54% | 0.54 | 66% | 0.663 | S | S | . | * | trans | 18.5 | 107.1 | 176.3 | -166.1 | 1.8 | 0 | 0 | 0 | 115.8 | L60 T64 | L60-D62 PolarHBondContact O-N 3.39Å; D62-T64 PolarHBondContact O-N 3.25Å; D62-T64 WeakPolarHBondContact OD1-CB 3.44Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.44Å; D62-T64 PolarHBondContact OD1-N 3.23Å; D62-T64 PolarHBondContact OD1-OG1 3.31Å; D62-T64 VanDerWaalsContact OD1-OG1 3.13Å; D62-T64 PolarHBondContact OD2-OG1 3.44Å | ||
| 63 | Q | 52.3 | Low | 56 | Low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 36.3 | 171.7 | -160.1 | -173.9 | 81 | 0 | 0 | 112.2 | ||
| 64 | T | 49.9 | Very low | 56.1 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 12.3 | 172.3 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | D62 Q66 | D62-T64 PolarHBondContact O-N 3.25Å; D62-T64 WeakPolarHBondContact OD1-CB 3.44Å; D62-T64 WeakPolarHBondContact OD1-CG2 3.44Å; D62-T64 PolarHBondContact OD1-N 3.23Å; D62-T64 PolarHBondContact OD1-OG1 3.31Å; D62-T64 VanDerWaalsContact OD1-OG1 3.13Å; D62-T64 PolarHBondContact OD2-OG1 3.44Å; T64-Q66 PolarHBondContact O-N 3.41Å |
| 65 | F | 44.8 | Very low | 55.6 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 50% | 0.5 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -64.6 | 89.8 | 161.7 | -69.8 | -72.2 | 0 | 0 | 0 | 108.9 | N67 R70 | F65-N67 WeakPolarHBondContact O-CA 3.01Å; F65-N67 PolarHBondContact O-N 3.04Å; F65-N67 PolarHBondContact O-ND2 3.44Å; F65-N67 VanDerWaalsContact O-ND2 3.15Å; F65-R70 VanDerWaalsContact CD2-NH1 3.29Å |
| 66 | Q | 50.5 | Low | 55.7 | Low | 168 Ų | 168 | 133.6 Ų | 133.6 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | trans | 0.6 | 90.6 | 152.4 | -65 | -93.2 | -43.4 | 0 | 0 | 110.4 | T64 D68 | T64-Q66 PolarHBondContact O-N 3.41Å; Q66-D68 PolarHBondContact O-N 2.89Å | ||
| 67 | N | 51.3 | Low | 55.6 | Low | 116 Ų | 116 | 131 Ų | 131 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 43.8 | -167.2 | -97.3 | -74.1 | 0 | 0 | 0 | 111 | F65 | F65-N67 WeakPolarHBondContact O-CA 3.01Å; F65-N67 PolarHBondContact O-N 3.04Å; F65-N67 PolarHBondContact O-ND2 3.44Å; F65-N67 VanDerWaalsContact O-ND2 3.15Å |
| 68 | D | 55.9 | Low | 55.4 | Low | 145 Ų | 145 | 130.9 Ų | 130.9 | 78% | 0.775 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -14.3 | 178.5 | -73.6 | -63.1 | 0 | 0 | 0 | 113.4 | Q66 | Q66-D68 PolarHBondContact O-N 2.89Š|
| 69 | D | 60.7 | Low | 55.3 | Low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -132.7 | 4.9 | -174.4 | -80.2 | -45.2 | 0 | 0 | 0 | 116 | V71 | D69-V71 PolarHBondContact O-N 3.1Š|
| 70 | R | 55.8 | Low | 55.1 | Low | 146 Ų | 146 | 131 Ų | 131 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | trans | -88.5 | 98.5 | 179.7 | -67.8 | -175.3 | 176.1 | -163.7 | -3.9 | 110.4 | F65 Q72 | F65-R70 VanDerWaalsContact CD2-NH1 3.29Å; R70-Q72 PolarHBondContact O-N 3.34Å | ||
| 71 | V | 52.2 | Low | 55.2 | Low | 128 Ų | 128 | 126.8 Ų | 126.8 | 78% | 0.776 | 64% | 0.638 | S | S | * | * | trans | -58 | 100.5 | 168.6 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | D69 V73 | D69-V71 PolarHBondContact O-N 3.1Å; V71-V73 HydrophobicContact CG1-CG2 4.08Å; V71-V73 PolarHBondContact O-N 3.48Å | ||
| 72 | Q | 51.6 | Low | 56 | Low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | trans | -72 | 97.2 | 172.5 | -163.5 | 172.1 | 12.6 | 0 | 0 | 107.3 | R70 E74 | R70-Q72 PolarHBondContact O-N 3.34Å; Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 2.93Å | ||
| 73 | V | 51.5 | Low | 57.1 | Low | 96 Ų | 96 | 131 Ų | 131 | 58% | 0.582 | 64% | 0.641 | S | S | * | * | trans | -75.5 | 90.5 | 172.5 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | V71 F75 | V71-V73 HydrophobicContact CG1-CG2 4.08Å; V71-V73 PolarHBondContact O-N 3.48Å; V73-F75 HydrophobicContact CG1-CD2 4.35Å; V73-F75 HydrophobicContact CG1-CE2 4.14Å; V73-F75 HydrophobicContact CG1-CZ 4.24Å; V73-F75 PolarHBondContact O-N 3.37Å; V73-F75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | E | 60.4 | Low | 58.4 | Low | 148 Ų | 148 | 128.3 Ų | 128.3 | 69% | 0.692 | 63% | 0.628 | S | S | * | * | trans | -71.4 | 103.9 | 167.8 | -165.7 | 161.6 | -144.9 | 0 | 0 | 107.4 | Q72 Y76 | Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 2.93Å; E74-Y76 HydrophobicContact CG-CD2 4.24Å; E74-Y76 PolarHBondContact O-N 3.06Å | ||
| 75 | F | 53.3 | Low | 59.6 | Low | 173 Ų | 173 | 131.9 Ų | 131.9 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | trans | -65.6 | 90.9 | 171.2 | -72 | -88.5 | 0 | 0 | 0 | 107.6 | V73 V77 | V73-F75 HydrophobicContact CG1-CD2 4.35Å; V73-F75 HydrophobicContact CG1-CE2 4.14Å; V73-F75 HydrophobicContact CG1-CZ 4.24Å; V73-F75 PolarHBondContact O-N 3.37Å; V73-F75 VanDerWaalsContact O-N 3.12Å; F75-V77 PolarHBondContact O-N 3.33Å | ||
| 76 | Y | 56.2 | Low | 61.3 | Low | 203 Ų | 203 | 127.9 Ų | 127.9 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | trans | -71.9 | 72.2 | 176.5 | -129.4 | -87.3 | 0 | 0 | 0 | 109.2 | E74 N78 | E74-Y76 HydrophobicContact CG-CD2 4.24Å; E74-Y76 PolarHBondContact O-N 3.06Å; Y76-N78 PolarHBondContact O-N 3.45Å; Y76-N78 VanDerWaalsContact O-N 3.11Å | ||
| 77 | V | 57.6 | Low | 62.6 | Low | 87 Ų | 87 | 126.8 Ų | 126.8 | 53% | 0.527 | 61% | 0.607 | S | S | . | * | trans | -74.8 | 100.1 | 165.1 | -176.1 | 0 | 0 | 0 | 0 | 105.1 | F75 E79 F82 | F75-V77 PolarHBondContact O-N 3.33Å; V77-E79 PolarHBondContact O-N 2.77Å; V77-E79 VanDerWaalsContact O-N 3.1Å; V77-F82 HydrophobicContact CG1-CB 4.14Å | ||
| 78 | N | 61.8 | Low | 63.8 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 38% | 0.38 | 60% | 0.604 | S | S | . | * | trans | -46.9 | 121.4 | 175.6 | -180 | 8.4 | 0 | 0 | 0 | 109.7 | Y76 N80 T81 F82 | Y76-N78 PolarHBondContact O-N 3.45Å; Y76-N78 VanDerWaalsContact O-N 3.11Å; N78-N80 PolarHBondContact O-N 2.84Å; N78-N80 WeakPolarHBondContact OD1-CB 3.44Å; N78-N80 PolarHBondContact OD1-N 2.83Å; N78-N80 VanDerWaalsContact OD1-N 3.14Å; N78-N80 PolarHBondContact OD1-OD1 2.81Å; N78-T81 PolarHBondContact O-N 3.43Å; N78-F82 PolarHBondContact O-N 2.93Å; N78-F82 VanDerWaalsContact O-N 3.16Å | ||
| 79 | E | 63.5 | Low | 64.8 | Low | 161 Ų | 161 | 122.4 Ų | 122.4 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -51.2 | -32 | 179 | -62.7 | -171.5 | 152.4 | 0 | 0 | 111 | V77 K83 | V77-E79 PolarHBondContact O-N 2.77Å; V77-E79 VanDerWaalsContact O-N 3.1Å; E79-K83 VanDerWaalsContact O-CB 3.22Å; E79-K83 WeakPolarHBondContact O-CB 3.44Å; E79-K83 PolarHBondContact O-N 3.01Å |
| 80 | N | 59.2 | Low | 65.6 | Low | 103 Ų | 103 | 120.1 Ų | 120.1 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.7 | -43.5 | -179.9 | -47.2 | -0.8 | 0 | 0 | 0 | 111 | N78 E84 | N78-N80 PolarHBondContact O-N 2.84Å; N78-N80 WeakPolarHBondContact OD1-CB 3.44Å; N78-N80 PolarHBondContact OD1-N 2.83Å; N78-N80 VanDerWaalsContact OD1-N 3.14Å; N78-N80 PolarHBondContact OD1-OD1 2.81Å; N80-E84 VanDerWaalsContact O-CG 3.28Å; N80-E84 WeakPolarHBondContact O-CG 3.42Å; N80-E84 PolarHBondContact O-N 3.28Å; N80-E84 VanDerWaalsContact O-N 3.15Å |
| 81 | T | 67.9 | Low | 66.7 | Low | 46 Ų | 46 | 116.7 Ų | 116.7 | 28% | 0.282 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.8 | -35.8 | 179.8 | -52 | 0 | 0 | 0 | 0 | 112 | N78 R85 | N78-T81 PolarHBondContact O-N 3.43Å; T81-R85 VanDerWaalsContact O-CG 3.3Å; T81-R85 WeakPolarHBondContact O-CG 3.47Å; T81-R85 PolarHBondContact O-N 3.21Å; T81-R85 VanDerWaalsContact O-N 3.1Å |
| 82 | F | 70.3 | Confident | 67.5 | Low | 69 Ų | 69 | 118.1 Ų | 118.1 | 30% | 0.303 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.5 | -46 | 176.9 | 180 | -100 | 0 | 0 | 0 | 111.4 | F10 V77 N78 E84 R85 L86 | F10-F82 AromaticContact CD2-CE1 3.73Å; F10-F82 HydrophobicContact CD2-CE1 3.73Å; F10-F82 HydrophobicContact CD2-CZ 4.27Å; F10-F82 HydrophobicContact CE2-CE1 4.3Å; V77-F82 HydrophobicContact CG1-CB 4.14Å; N78-F82 PolarHBondContact O-N 2.93Å; N78-F82 VanDerWaalsContact O-N 3.16Å; F82-E84 VanDerWaalsContact C-N 3.26Å; F82-E84 PolarHBondContact O-N 3.5Å; F82-R85 PolarHBondContact O-N 3.38Å; F82-L86 HydrophobicContact CE1-CD2 4.08Å; F82-L86 WeakPolarHBondContact O-CB 3.02Å; F82-L86 PolarHBondContact O-N 2.82Å |
| 83 | K | 73.3 | Confident | 67.9 | Low | 160 Ų | 160 | 112.8 Ų | 112.8 | 70% | 0.696 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.6 | -39 | 177.3 | -171.3 | 175.2 | -177.2 | 176.7 | 0 | 112 | E79 K87 | E79-K83 VanDerWaalsContact O-CB 3.22Å; E79-K83 WeakPolarHBondContact O-CB 3.44Å; E79-K83 PolarHBondContact O-N 3.01Å; K83-K87 VanDerWaalsContact O-CB 3.29Å; K83-K87 WeakPolarHBondContact O-CB 3.37Å; K83-K87 PolarHBondContact O-N 3.1Å |
| 84 | E | 78.3 | Confident | 68.4 | Low | 125 Ų | 125 | 116.3 Ų | 116.3 | 58% | 0.584 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.7 | -44.6 | 175.2 | -73.9 | -178 | 123.8 | 0 | 0 | 112.8 | N80 F82 L86 K87 L88 | N80-E84 VanDerWaalsContact O-CG 3.28Å; N80-E84 WeakPolarHBondContact O-CG 3.42Å; N80-E84 PolarHBondContact O-N 3.28Å; N80-E84 VanDerWaalsContact O-N 3.15Å; F82-E84 VanDerWaalsContact C-N 3.26Å; F82-E84 PolarHBondContact O-N 3.5Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.03Å; E84-K87 PolarHBondContact O-N 3.43Å; E84-L88 WeakPolarHBondContact O-CG 3.18Å; E84-L88 PolarHBondContact O-N 3.28Å |
| 85 | R | 76.4 | Confident | 68.3 | Low | 170 Ų | 170 | 119.5 Ų | 119.5 | 64% | 0.642 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 176.8 | -73.7 | 175.9 | -178.5 | 165.7 | 2.5 | 111.9 | T81 F82 F89 | T81-R85 VanDerWaalsContact O-CG 3.3Å; T81-R85 WeakPolarHBondContact O-CG 3.47Å; T81-R85 PolarHBondContact O-N 3.21Å; T81-R85 VanDerWaalsContact O-N 3.1Å; F82-R85 PolarHBondContact O-N 3.38Å; R85-F89 WeakPolarHBondContact O-CB 3.25Å; R85-F89 PolarHBondContact O-N 2.88Å |
| 86 | L | 79.8 | Confident | 68.2 | Low | 30 Ų | 30 | 115 Ų | 115 | 16% | 0.157 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.9 | -172.3 | 62.5 | 0 | 0 | 0 | 111.5 | F82 E84 F89 F90 | F82-L86 HydrophobicContact CE1-CD2 4.08Å; F82-L86 WeakPolarHBondContact O-CB 3.02Å; F82-L86 PolarHBondContact O-N 2.82Å; E84-L86 VanDerWaalsContact C-N 3.32Å; E84-L86 PolarHBondContact O-N 3.03Å; L86-F89 WeakPolarHBondContact O-CB 3.05Å; L86-F89 PolarHBondContact O-N 2.94Å; L86-F90 HydrophobicContact CD1-CD2 4.33Å; L86-F90 HydrophobicContact CD1-CE2 3.68Å; L86-F90 HydrophobicContact CD1-CZ 4.33Å; L86-F90 HydrophobicContact CD2-CE2 4.34Å; L86-F90 HydrophobicContact CG-CD2 4.19Å; L86-F90 HydrophobicContact CG-CE2 3.72Å; L86-F90 WeakPolarHBondContact O-CD2 3.44Å; L86-F90 PolarHBondContact O-N 3.12Å |
| 87 | K | 77.5 | Confident | 68.1 | Low | 145 Ų | 145 | 114.1 Ų | 114.1 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -46 | 175 | -172 | 175.4 | -178.6 | -178.8 | 0 | 111.9 | K83 E84 F89 F90 I91 | K83-K87 VanDerWaalsContact O-CB 3.29Å; K83-K87 WeakPolarHBondContact O-CB 3.37Å; K83-K87 PolarHBondContact O-N 3.1Å; E84-K87 PolarHBondContact O-N 3.43Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.44Å; K87-F90 PolarHBondContact O-N 3.38Å; K87-I91 HydrophobicContact CG-CD1 4.14Å; K87-I91 WeakPolarHBondContact O-CG1 3.41Å; K87-I91 PolarHBondContact O-N 2.82Å |
| 88 | L | 77.4 | Confident | 68.6 | Low | 105 Ų | 105 | 115.5 Ų | 115.5 | 55% | 0.55 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.9 | -34.1 | 176.4 | -73.2 | 171.5 | 0 | 0 | 0 | 112.4 | E84 I91 K92 | E84-L88 WeakPolarHBondContact O-CG 3.18Å; E84-L88 PolarHBondContact O-N 3.28Å; L88-I91 PolarHBondContact O-N 2.79Å; L88-K92 WeakPolarHBondContact O-CB 3.16Å; L88-K92 WeakPolarHBondContact O-CG 3.22Å; L88-K92 PolarHBondContact O-N 3.02Å |
| 89 | F | 76.1 | Confident | 69 | Low | 64 Ų | 64 | 117.8 Ų | 117.8 | 28% | 0.281 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -47.2 | 176.4 | 175.6 | -90.9 | 0 | 0 | 0 | 113 | M3 R85 L86 K87 K92 N93 | M3-F89 HydrophobicContact CB-CZ 3.98Å; M3-F89 HydrophobicContact CE-CD2 4.14Å; M3-F89 HydrophobicContact CE-CE1 4.22Å; M3-F89 HydrophobicContact CE-CE2 3.07Å; M3-F89 HydrophobicContact CE-CZ 3.12Å; M3-F89 HydrophobicContact CG-CZ 4.11Å; M3-F89 HydrophobicContact SD-CE2 3.25Å; M3-F89 WeakPolarHBondContact SD-CE2 3.3Å; M3-F89 HydrophobicContact SD-CZ 3.41Å; M3-F89 WeakPolarHBondContact SD-CZ 3.38Å; R85-F89 WeakPolarHBondContact O-CB 3.25Å; R85-F89 PolarHBondContact O-N 2.88Å; L86-F89 WeakPolarHBondContact O-CB 3.05Å; L86-F89 PolarHBondContact O-N 2.94Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.44Å; F89-K92 PolarHBondContact O-N 2.57Å; F89-N93 WeakPolarHBondContact CE1-ND2 3.49Å; F89-N93 VanDerWaalsContact CE2-ND2 3.35Å; F89-N93 WeakPolarHBondContact CE2-ND2 3.44Å; F89-N93 VanDerWaalsContact CZ-ND2 3.3Å; F89-N93 WeakPolarHBondContact CZ-ND2 2.98Å; F89-N93 WeakPolarHBondContact O-CB 3.28Å; F89-N93 PolarHBondContact O-N 3.28Å; F89-N93 PolarHBondContact O-ND2 3.23Å |
| 90 | F | 76.8 | Confident | 69.3 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.8 | -38.5 | 177.8 | -75 | -65.9 | 0 | 0 | 0 | 112.2 | L86 K87 Q94 | L86-F90 HydrophobicContact CD1-CD2 4.33Å; L86-F90 HydrophobicContact CD1-CE2 3.68Å; L86-F90 HydrophobicContact CD1-CZ 4.33Å; L86-F90 HydrophobicContact CD2-CE2 4.34Å; L86-F90 HydrophobicContact CG-CD2 4.19Å; L86-F90 HydrophobicContact CG-CE2 3.72Å; L86-F90 WeakPolarHBondContact O-CD2 3.44Å; L86-F90 PolarHBondContact O-N 3.12Å; K87-F90 PolarHBondContact O-N 3.38Å; F90-Q94 WeakPolarHBondContact O-CB 3.3Å; F90-Q94 PolarHBondContact O-N 3.09Å |
| 91 | I | 78.8 | Confident | 69.9 | Low | 74 Ų | 74 | 116.1 Ų | 116.1 | 38% | 0.379 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.3 | -40.8 | 177.6 | -64.3 | 166.3 | 0 | 0 | 0 | 111.2 | K87 L88 R95 | K87-I91 HydrophobicContact CG-CD1 4.14Å; K87-I91 WeakPolarHBondContact O-CG1 3.41Å; K87-I91 PolarHBondContact O-N 2.82Å; L88-I91 PolarHBondContact O-N 2.79Å; I91-R95 WeakPolarHBondContact O-CG 3.32Å; I91-R95 PolarHBondContact O-N 3.14Å |
| 92 | K | 69.2 | Low | 70 | Confident | 158 Ų | 158 | 120.5 Ų | 120.5 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.6 | -44.8 | 177.7 | -81.2 | 177.1 | 119.6 | -179.7 | 0 | 111.9 | L88 F89 Q94 R95 S96 | L88-K92 WeakPolarHBondContact O-CB 3.16Å; L88-K92 WeakPolarHBondContact O-CG 3.22Å; L88-K92 PolarHBondContact O-N 3.02Å; F89-K92 PolarHBondContact O-N 2.57Å; K92-Q94 VanDerWaalsContact C-N 3.34Å; K92-Q94 PolarHBondContact O-N 2.73Å; K92-R95 PolarHBondContact O-N 2.85Å; K92-S96 PolarHBondContact O-N 3.33Å; K92-S96 PolarHBondContact O-OG 3.05Å |
| 93 | N | 61.3 | Low | 70 | Confident | 72 Ų | 72 | 123.9 Ų | 123.9 | 39% | 0.385 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.6 | -17.2 | -179.4 | -78 | -50.1 | 0 | 0 | 0 | 114.6 | M3 F89 S96 | M3-N93 WeakPolarHBondContact CE-ND2 3.44Å; M3-N93 WeakPolarHBondContact CE-OD1 3.21Å; F89-N93 WeakPolarHBondContact CE1-ND2 3.49Å; F89-N93 VanDerWaalsContact CE2-ND2 3.35Å; F89-N93 WeakPolarHBondContact CE2-ND2 3.44Å; F89-N93 VanDerWaalsContact CZ-ND2 3.3Å; F89-N93 WeakPolarHBondContact CZ-ND2 2.98Å; F89-N93 WeakPolarHBondContact O-CB 3.28Å; F89-N93 PolarHBondContact O-N 3.28Å; F89-N93 PolarHBondContact O-ND2 3.23Å; N93-S96 PolarHBondContact O-OG 3.31Å |
| 94 | Q | 61.7 | Low | 69.8 | Low | 171 Ų | 171 | 121.4 Ų | 121.4 | 80% | 0.799 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.4 | -19.3 | 169.9 | -84.7 | -168.5 | -2.8 | 0 | 0 | 113.8 | F90 K92 | F90-Q94 WeakPolarHBondContact O-CB 3.3Å; F90-Q94 PolarHBondContact O-N 3.09Å; K92-Q94 VanDerWaalsContact C-N 3.34Å; K92-Q94 PolarHBondContact O-N 2.73Å |
| 95 | R | 57.1 | Low | 69.1 | Low | 215 Ų | 215 | 121.1 Ų | 121.1 | 81% | 0.811 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -90.1 | -18.9 | -179.4 | -76.8 | -179 | 163.8 | 175.6 | -4 | 113.6 | I91 K92 S97 | I91-R95 WeakPolarHBondContact O-CG 3.32Å; I91-R95 PolarHBondContact O-N 3.14Å; K92-R95 PolarHBondContact O-N 2.85Å; R95-S97 PolarHBondContact O-N 3.39Å |
| 96 | S | 52 | Low | 68.5 | Low | 78 Ų | 78 | 117 Ų | 117 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | trans | -88.6 | 82.3 | 169.4 | 43.5 | 0 | 0 | 0 | 0 | 109.2 | K92 N93 | K92-S96 PolarHBondContact O-N 3.33Å; K92-S96 PolarHBondContact O-OG 3.05Å; N93-S96 PolarHBondContact O-OG 3.31Å | ||
| 97 | S | 54.5 | Low | 67.5 | Low | 184 Ų | 184 | 124.9 Ų | 124.9 | 100% | 1.287 | 62% | 0.621 | S | S | * | * | trans | -74 | 0 | 161.4 | -177.7 | 0 | 0 | 0 | 0 | 111 | R95 | R95-S97 PolarHBondContact O-N 3.39Š|
Retrieved 97 of 97 residues in 126.3 ms
(Link to these results)