| 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 | 52.7 | Low | 62.6 | Low | 238 Ų | 238 | 121.9 Ų | 121.9 | 100% | 1.172 | 66% | 0.658 | S | S | * | * | 0 | 1.7 | 0 | -57.2 | -165.9 | -142 | 0 | 0 | 114.4 | |||||
| 2 | A | 54.4 | Low | 63.3 | Low | 78 Ų | 78 | 117.8 Ų | 117.8 | 65% | 0.645 | 64% | 0.64 | S | S | * | * | trans | -91.9 | -19.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | G4 | A2-G4 PolarHBondContact O-N 2.69Š| ||
| 3 | M | 56.1 | Low | 64.1 | Low | 167 Ų | 167 | 113.9 Ų | 113.9 | 82% | 0.823 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.4 | -27.7 | -174.4 | -144.1 | 109.2 | -161 | 0 | 0 | 113.8 | R7 | M3-R7 PolarHBondContact O-N 3.23Å |
| 4 | G | 58.9 | Low | 64.3 | Low | 47 Ų | 47 | 111.7 Ų | 111.7 | 49% | 0.485 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.3 | -39 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2 F6 R7 V8 | A2-G4 PolarHBondContact O-N 2.69Å; G4-F6 VanDerWaalsContact C-N 3.29Å; G4-F6 PolarHBondContact O-N 3.5Å; G4-R7 PolarHBondContact O-N 2.95Å; G4-V8 WeakPolarHBondContact O-CG2 3.26Å; G4-V8 PolarHBondContact O-N 3.45Å; G4-V8 VanDerWaalsContact O-N 3.14Å |
| 5 | L | 60.5 | Low | 64.4 | Low | 125 Ų | 125 | 108.1 Ų | 108.1 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.4 | -37.9 | 176.2 | -72.4 | 166.6 | 0 | 0 | 0 | 111.6 | R7 V8 C9 | L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.07Å; L5-V8 PolarHBondContact O-N 2.98Å; L5-C9 WeakPolarHBondContact O-CB 3.33Å; L5-C9 PolarHBondContact O-N 3.36Å |
| 6 | F | 63 | Low | 64.5 | Low | 143 Ų | 143 | 108.4 Ų | 108.4 | 63% | 0.627 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -37.2 | 179.1 | -150.5 | -93.1 | 0 | 0 | 0 | 112.6 | G4 L10 | G4-F6 VanDerWaalsContact C-N 3.29Å; G4-F6 PolarHBondContact O-N 3.5Å; F6-L10 HydrophobicContact CD1-CD1 3.73Å; F6-L10 HydrophobicContact CD1-CG 4.15Å; F6-L10 HydrophobicContact CE1-CD1 3.81Å; F6-L10 HydrophobicContact CE1-CG 4.18Å; F6-L10 WeakPolarHBondContact O-CB 3.11Å; F6-L10 WeakPolarHBondContact O-CG 3.4Å; F6-L10 PolarHBondContact O-N 3.48Å |
| 7 | R | 65 | Low | 64.5 | Low | 192 Ų | 192 | 109.2 Ų | 109.2 | 73% | 0.725 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.3 | -41.4 | 175.3 | -72.7 | -79.8 | -175.7 | 170.6 | -0.8 | 111.6 | M3 G4 L5 L10 V11 | M3-R7 PolarHBondContact O-N 3.23Å; G4-R7 PolarHBondContact O-N 2.95Å; L5-R7 VanDerWaalsContact C-N 3.35Å; L5-R7 PolarHBondContact O-N 3.07Å; R7-L10 PolarHBondContact O-N 2.85Å; R7-V11 VanDerWaalsContact O-CG2 3.32Å; R7-V11 WeakPolarHBondContact O-CG2 3.46Å; R7-V11 PolarHBondContact O-N 2.92Å; R7-V11 VanDerWaalsContact O-N 3.1Å |
| 8 | V | 69.1 | Low | 64.3 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.1 | -46.2 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | G4 L5 L10 V11 V12 | G4-V8 WeakPolarHBondContact O-CG2 3.26Å; G4-V8 PolarHBondContact O-N 3.45Å; G4-V8 VanDerWaalsContact O-N 3.14Å; L5-V8 PolarHBondContact O-N 2.98Å; V8-L10 PolarHBondContact O-N 3.38Å; V8-V11 PolarHBondContact O-N 3.07Å; V8-V12 HydrophobicContact CG1-CG2 4.38Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.46Å; V8-V12 PolarHBondContact O-N 3.09Å |
| 9 | C | 65.3 | Low | 63.8 | Low | 76 Ų | 76 | 111.6 Ų | 111.6 | 51% | 0.514 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.6 | -42.4 | 176.5 | -79.4 | 0 | 0 | 0 | 0 | 112.2 | L5 V11 V12 V13 | L5-C9 WeakPolarHBondContact O-CB 3.33Å; L5-C9 PolarHBondContact O-N 3.36Å; C9-V11 PolarHBondContact O-N 3.48Å; C9-V12 PolarHBondContact O-N 3.38Å; C9-V13 VanDerWaalsContact O-CB 3.27Å; C9-V13 WeakPolarHBondContact O-CB 3.41Å; C9-V13 WeakPolarHBondContact O-CG2 3.45Å; C9-V13 PolarHBondContact O-N 3.4Å |
| 10 | L | 72.8 | Confident | 63.1 | Low | 88 Ų | 88 | 109.9 Ų | 109.9 | 46% | 0.461 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.4 | -39.1 | 177.6 | -76.5 | 173.8 | 0 | 0 | 0 | 112.7 | F6 R7 V8 V13 T14 | F6-L10 HydrophobicContact CD1-CD1 3.73Å; F6-L10 HydrophobicContact CD1-CG 4.15Å; F6-L10 HydrophobicContact CE1-CD1 3.81Å; F6-L10 HydrophobicContact CE1-CG 4.18Å; F6-L10 WeakPolarHBondContact O-CB 3.11Å; F6-L10 WeakPolarHBondContact O-CG 3.4Å; F6-L10 PolarHBondContact O-N 3.48Å; R7-L10 PolarHBondContact O-N 2.85Å; V8-L10 PolarHBondContact O-N 3.38Å; L10-V13 PolarHBondContact O-N 3.48Å; L10-T14 WeakPolarHBondContact O-CB 3.37Å; L10-T14 WeakPolarHBondContact O-CG2 3.18Å; L10-T14 PolarHBondContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 3.01Å |
| 11 | V | 70.6 | Confident | 62.5 | Low | 97 Ų | 97 | 111.9 Ų | 111.9 | 59% | 0.588 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.5 | -39.4 | 176.4 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | R7 V8 C9 T14 A15 | R7-V11 VanDerWaalsContact O-CG2 3.32Å; R7-V11 WeakPolarHBondContact O-CG2 3.46Å; R7-V11 PolarHBondContact O-N 2.92Å; R7-V11 VanDerWaalsContact O-N 3.1Å; V8-V11 PolarHBondContact O-N 3.07Å; C9-V11 PolarHBondContact O-N 3.48Å; V11-T14 WeakPolarHBondContact CA-OG1 3.38Å; V11-T14 PolarHBondContact O-OG1 3.35Å; V11-A15 VanDerWaalsContact O-CB 3.25Å; V11-A15 WeakPolarHBondContact O-CB 3.36Å; V11-A15 PolarHBondContact O-N 3.2Å |
| 12 | V | 71.8 | Confident | 62.5 | Low | 73 Ų | 73 | 106.2 Ų | 106.2 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.9 | -43.3 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | V8 C9 A15 I16 | V8-V12 HydrophobicContact CG1-CG2 4.38Å; V8-V12 VanDerWaalsContact O-CG2 3.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.46Å; V8-V12 PolarHBondContact O-N 3.09Å; C9-V12 PolarHBondContact O-N 3.38Å; V12-A15 PolarHBondContact O-N 2.92Å; V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.35Å; V12-I16 WeakPolarHBondContact O-CB 3.36Å; V12-I16 WeakPolarHBondContact O-CD1 3.36Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 3.11Å |
| 13 | V | 73.3 | Confident | 62.3 | Low | 67 Ų | 67 | 110.8 Ų | 110.8 | 41% | 0.406 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.8 | -42.6 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | C9 L10 I16 I17 | C9-V13 VanDerWaalsContact O-CB 3.27Å; C9-V13 WeakPolarHBondContact O-CB 3.41Å; C9-V13 WeakPolarHBondContact O-CG2 3.45Å; C9-V13 PolarHBondContact O-N 3.4Å; L10-V13 PolarHBondContact O-N 3.48Å; V13-I16 PolarHBondContact O-N 2.87Å; V13-I17 HydrophobicContact CG1-CD1 3.42Å; V13-I17 VanDerWaalsContact CG1-CD1 3.42Å; V13-I17 HydrophobicContact CG1-CG1 4.19Å; V13-I17 VanDerWaalsContact O-CB 3.23Å; V13-I17 WeakPolarHBondContact O-CB 3.49Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.89Å |
| 14 | T | 66.8 | Low | 62 | Low | 83 Ų | 83 | 107.4 Ų | 107.4 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.2 | -30.4 | 174.9 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | L10 V11 N18 | L10-T14 WeakPolarHBondContact O-CB 3.37Å; L10-T14 WeakPolarHBondContact O-CG2 3.18Å; L10-T14 PolarHBondContact O-N 3.08Å; L10-T14 PolarHBondContact O-OG1 3.01Å; V11-T14 WeakPolarHBondContact CA-OG1 3.38Å; V11-T14 PolarHBondContact O-OG1 3.35Å; T14-N18 WeakPolarHBondContact O-CA 3.27Å; T14-N18 WeakPolarHBondContact O-CB 3.46Å; T14-N18 PolarHBondContact O-N 3.41Å |
| 15 | A | 66.2 | Low | 61.5 | Low | 58 Ų | 58 | 115.9 Ų | 115.9 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.4 | -39.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | V11 V12 H19 | V11-A15 VanDerWaalsContact O-CB 3.25Å; V11-A15 WeakPolarHBondContact O-CB 3.36Å; V11-A15 PolarHBondContact O-N 3.2Å; V12-A15 PolarHBondContact O-N 2.92Å; A15-H19 WeakPolarHBondContact O-CB 3.48Å; A15-H19 PolarHBondContact O-N 3.28Å |
| 16 | I | 66.1 | Low | 60.8 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.1 | -38.3 | 176 | -66.8 | 165.5 | 0 | 0 | 0 | 111.2 | V12 V13 P20 | V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.35Å; V12-I16 WeakPolarHBondContact O-CB 3.36Å; V12-I16 WeakPolarHBondContact O-CD1 3.36Å; V12-I16 WeakPolarHBondContact O-CG1 3.46Å; V12-I16 PolarHBondContact O-N 3.11Å; V13-I16 PolarHBondContact O-N 2.87Å; I16-P20 WeakPolarHBondContact O-CD 3.25Å |
| 17 | I | 64.2 | Low | 59.9 | Low | 122 Ų | 122 | 118.2 Ų | 118.2 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85 | -32.2 | -177.9 | -66.6 | 174.6 | 0 | 0 | 0 | 113.1 | V13 H19 P20 | V13-I17 HydrophobicContact CG1-CD1 3.42Å; V13-I17 VanDerWaalsContact CG1-CD1 3.42Å; V13-I17 HydrophobicContact CG1-CG1 4.19Å; V13-I17 VanDerWaalsContact O-CB 3.23Å; V13-I17 WeakPolarHBondContact O-CB 3.49Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 2.89Å; I17-H19 PolarHBondContact O-N 2.99Å; I17-P20 WeakPolarHBondContact O-CD 3.2Å |
| 18 | N | 60.4 | Low | 59 | Low | 140 Ų | 140 | 112.3 Ų | 112.3 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77 | -12.1 | 174.6 | -164.8 | 39.3 | 0 | 0 | 0 | 111.6 | T14 | T14-N18 WeakPolarHBondContact O-CA 3.27Å; T14-N18 WeakPolarHBondContact O-CB 3.46Å; T14-N18 PolarHBondContact O-N 3.41Å |
| 19 | H | 56 | Low | 58.3 | Low | 123 Ų | 123 | 112.1 Ų | 112.1 | 57% | 0.569 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -127.5 | 30.4 | -175.6 | -142.2 | -64.5 | 0 | 0 | 0 | 117.6 | A15 I17 | A15-H19 WeakPolarHBondContact O-CB 3.48Å; A15-H19 PolarHBondContact O-N 3.28Å; I17-H19 PolarHBondContact O-N 2.99Å |
| 20 | P | 48.2 | Very low | 57.5 | Low | 78 Ų | 78 | 113.4 Ų | 113.4 | 51% | 0.506 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -94.3 | 3.6 | 164.5 | 37 | -28.2 | 0 | 0 | 0 | 112.2 | I16 I17 | I16-P20 WeakPolarHBondContact O-CD 3.25Å; I17-P20 WeakPolarHBondContact O-CD 3.2Å |
| 21 | L | 50.9 | Low | 56.5 | Low | 151 Ų | 151 | 114.3 Ų | 114.3 | 79% | 0.791 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -133 | 9.7 | -170 | -94 | 162.5 | 0 | 0 | 0 | 115.5 | F23 | L21-F23 PolarHBondContact O-N 3.46Š|
| 22 | L | 52.3 | Low | 55.7 | Low | 119 Ų | 119 | 118 Ų | 118 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | trans | -95.3 | 62.8 | 160.7 | -71.1 | 176.1 | 0 | 0 | 0 | 108.6 | P24 | L22-P24 WeakPolarHBondContact O-CD 3.45Š| ||
| 23 | F | 50.9 | Low | 55 | Low | 174 Ų | 174 | 118.4 Ų | 118.4 | 76% | 0.763 | 63% | 0.634 | S | S | * | * | trans | -64.1 | 114 | 145.3 | -81 | -78.5 | 0 | 0 | 0 | 105.2 | L21 R25 | L21-F23 PolarHBondContact O-N 3.46Å; F23-R25 PolarHBondContact O-N 2.86Å | ||
| 24 | P | 49 | Very low | 54.5 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 62% | 0.623 | 64% | 0.636 | S | S | * | * | trans | -54.5 | 119.5 | 172 | -19.9 | 33 | 0 | 0 | 0 | 107.1 | L22 E26 | L22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-E26 HydrophobicContact CB-CB 4.14Å; P24-E26 PolarHBondContact O-N 2.84Å | ||
| 25 | R | 48.9 | Very low | 54.4 | Low | 225 Ų | 225 | 123.6 Ų | 123.6 | 85% | 0.849 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -65.6 | 28.6 | 166.5 | -80.6 | -171.8 | 69.7 | 123 | 1.2 | 112 | F23 A28 | F23-R25 PolarHBondContact O-N 2.86Å; R25-A28 PolarHBondContact O-N 3.23Å |
| 26 | E | 46.3 | Very low | 54.4 | Low | 173 Ų | 173 | 125.7 Ų | 125.7 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -80.5 | -7.2 | 175.8 | -158.4 | 168.1 | 168.4 | 0 | 0 | 111.9 | P24 | P24-E26 HydrophobicContact CB-CB 4.14Å; P24-E26 PolarHBondContact O-N 2.84Å |
| 27 | N | 43.9 | Very low | 54.7 | Low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -108.2 | 45.2 | 162.8 | -68 | -22.4 | 0 | 0 | 0 | 110.7 | T29 | N27-T29 PolarHBondContact O-N 3.26Š|
| 28 | A | 47.2 | Very low | 55.3 | Low | 67 Ų | 67 | 123.7 Ų | 123.7 | 55% | 0.554 | 64% | 0.638 | S | S | * | * | trans | -69.9 | 78.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 106 | R25 V30 | R25-A28 PolarHBondContact O-N 3.23Å; A28-V30 PolarHBondContact O-N 2.91Å | ||
| 29 | T | 52.6 | Low | 56.2 | Low | 86 Ų | 86 | 126.5 Ų | 126.5 | 53% | 0.528 | 64% | 0.638 | S | S | . | * | trans | -52.1 | 116.1 | 171.4 | 36.8 | 0 | 0 | 0 | 0 | 107.1 | N27 E34 | N27-T29 PolarHBondContact O-N 3.26Å; T29-E34 PolarHBondContact OG1-OE1 3.38Å | ||
| 30 | V | 49.6 | Very low | 57.4 | Low | 103 Ų | 103 | 126.7 Ų | 126.7 | 62% | 0.624 | 64% | 0.637 | S | S | * | * | trans | -44 | 122.3 | 158.4 | 170.9 | 0 | 0 | 0 | 0 | 107 | A28 E32 | A28-V30 PolarHBondContact O-N 2.91Å; V30-E32 HydrophobicContact CG1-CB 3.84Å; V30-E32 PolarHBondContact O-N 3.33Å | ||
| 31 | P | 52.1 | Low | 58.9 | Low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 8.7 | -173 | 27.4 | -34 | 0 | 0 | 0 | 113.9 | ||
| 32 | E | 53.3 | Low | 60.5 | Low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -13.1 | -177.9 | -154.6 | 174.7 | 124.6 | 0 | 0 | 113.2 | V30 | V30-E32 HydrophobicContact CG1-CB 3.84Å; V30-E32 PolarHBondContact O-N 3.33Å |
| 33 | N | 57.6 | Low | 62 | Low | 82 Ų | 82 | 123.6 Ų | 123.6 | 44% | 0.439 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -113.2 | -6.5 | -175.9 | -157.5 | 3.3 | 0 | 0 | 0 | 114.5 | E35 E36 I37 | N33-E35 PolarHBondContact O-N 3.31Å; N33-E36 PolarHBondContact O-N 3.45Å; N33-I37 WeakPolarHBondContact O-CB 3.24Å; N33-I37 WeakPolarHBondContact O-CD1 3.36Å; N33-I37 WeakPolarHBondContact O-CG1 3.23Å; N33-I37 PolarHBondContact O-N 3.38Å |
| 34 | E | 62.3 | Low | 63.5 | Low | 97 Ų | 97 | 121.8 Ų | 121.8 | 45% | 0.453 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.8 | -39.9 | 179.9 | -65.2 | -176.4 | 177.3 | 0 | 0 | 111.3 | T29 E36 I37 I38 | T29-E34 PolarHBondContact OG1-OE1 3.38Å; E34-E36 PolarHBondContact O-N 2.99Å; E34-I37 PolarHBondContact O-N 2.81Å; E34-I38 WeakPolarHBondContact O-CB 3.47Å; E34-I38 WeakPolarHBondContact O-CD1 3.43Å; E34-I38 WeakPolarHBondContact O-CG1 3.32Å; E34-I38 PolarHBondContact O-N 3.16Å |
| 35 | E | 65.2 | Low | 65.3 | Low | 161 Ų | 161 | 122.1 Ų | 122.1 | 75% | 0.752 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.5 | -37.5 | 176.9 | -66.2 | -174.9 | 163.9 | 0 | 0 | 112.5 | N33 R39 | N33-E35 PolarHBondContact O-N 3.31Å; E35-R39 VanDerWaalsContact O-CB 3.26Å; E35-R39 WeakPolarHBondContact O-CB 3.49Å; E35-R39 PolarHBondContact O-N 3.4Å |
| 36 | E | 66.4 | Low | 67.1 | Low | 102 Ų | 102 | 117.4 Ų | 117.4 | 48% | 0.477 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.3 | -37.1 | 177.6 | -155.6 | -166.7 | 137.2 | 0 | 0 | 111.7 | N33 E34 R39 K40 | N33-E36 PolarHBondContact O-N 3.45Å; E34-E36 PolarHBondContact O-N 2.99Å; E36-R39 PolarHBondContact O-N 3.02Å; E36-K40 PolarHBondContact O-N 3.17Å; E36-K40 IonicContact OE1-NZ 2.69Å; E36-K40 PolarHBondContact OE1-NZ 2.92Å |
| 37 | I | 70.7 | Confident | 69.1 | Low | 94 Ų | 94 | 115.4 Ų | 115.4 | 48% | 0.482 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -48.2 | 173.4 | -67.7 | 165.3 | 0 | 0 | 0 | 110.3 | N33 E34 R39 K40 M41 | N33-I37 WeakPolarHBondContact O-CB 3.24Å; N33-I37 WeakPolarHBondContact O-CD1 3.36Å; N33-I37 WeakPolarHBondContact O-CG1 3.23Å; N33-I37 PolarHBondContact O-N 3.38Å; E34-I37 PolarHBondContact O-N 2.81Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 2.95Å; I37-K40 PolarHBondContact O-N 2.89Å; I37-M41 WeakPolarHBondContact O-CB 3.49Å; I37-M41 PolarHBondContact O-N 3.29Å |
| 38 | I | 78.3 | Confident | 71.3 | Confident | 99 Ų | 99 | 113.3 Ų | 113.3 | 51% | 0.508 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.2 | -45 | 177.1 | -70.3 | 162.3 | 0 | 0 | 0 | 109.7 | E34 K40 M41 Q42 | E34-I38 WeakPolarHBondContact O-CB 3.47Å; E34-I38 WeakPolarHBondContact O-CD1 3.43Å; E34-I38 WeakPolarHBondContact O-CG1 3.32Å; E34-I38 PolarHBondContact O-N 3.16Å; I38-K40 PolarHBondContact O-N 3.42Å; I38-M41 PolarHBondContact O-N 3.03Å; I38-Q42 WeakPolarHBondContact O-CB 3.45Å; I38-Q42 PolarHBondContact O-N 3.36Å |
| 39 | R | 78.9 | Confident | 73.3 | Confident | 200 Ų | 200 | 115.6 Ų | 115.6 | 76% | 0.755 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.1 | -39.1 | -179.8 | -163.6 | 175.4 | 172 | -174.6 | -2.9 | 112.9 | E35 E36 I37 A43 | E35-R39 VanDerWaalsContact O-CB 3.26Å; E35-R39 WeakPolarHBondContact O-CB 3.49Å; E35-R39 PolarHBondContact O-N 3.4Å; E36-R39 PolarHBondContact O-N 3.02Å; I37-R39 VanDerWaalsContact C-N 3.27Å; I37-R39 PolarHBondContact O-N 2.95Å; R39-A43 PolarHBondContact O-N 2.92Å; R39-A43 VanDerWaalsContact O-N 3.07Å |
| 40 | K | 80.1 | Confident | 75.2 | Confident | 127 Ų | 127 | 117.9 Ų | 117.9 | 55% | 0.552 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.1 | -39.9 | 172.4 | -82.3 | 178.4 | -177.2 | 143.5 | 0 | 112.1 | E36 I37 I38 Q42 A43 H44 | E36-K40 PolarHBondContact O-N 3.17Å; E36-K40 IonicContact OE1-NZ 2.69Å; E36-K40 PolarHBondContact OE1-NZ 2.92Å; I37-K40 PolarHBondContact O-N 2.89Å; I38-K40 PolarHBondContact O-N 3.42Å; K40-Q42 VanDerWaalsContact C-N 3.34Å; K40-A43 PolarHBondContact O-N 3.47Å; K40-H44 PolarHBondContact O-N 2.94Å |
| 41 | M | 81.5 | Confident | 77.1 | Confident | 119 Ų | 119 | 117.5 Ų | 117.5 | 59% | 0.586 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.4 | -42.8 | 178.2 | -148.1 | 177.5 | 77.3 | 0 | 0 | 110.4 | I37 I38 H44 Q45 | I37-M41 WeakPolarHBondContact O-CB 3.49Å; I37-M41 PolarHBondContact O-N 3.29Å; I38-M41 PolarHBondContact O-N 3.03Å; M41-H44 PolarHBondContact O-N 3.48Å; M41-Q45 WeakPolarHBondContact O-CB 3.27Å; M41-Q45 PolarHBondContact O-N 2.83Å |
| 42 | Q | 84.4 | Confident | 78.9 | Confident | 109 Ų | 109 | 117.8 Ų | 117.8 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63 | -45.9 | 177.2 | -143.7 | 173.4 | -9.1 | 0 | 0 | 111.9 | I38 K40 H44 Q45 E46 | I38-Q42 WeakPolarHBondContact O-CB 3.45Å; I38-Q42 PolarHBondContact O-N 3.36Å; K40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-H44 VanDerWaalsContact C-N 3.32Å; Q42-H44 PolarHBondContact O-N 3.33Å; Q42-Q45 WeakPolarHBondContact O-CB 3.42Å; Q42-Q45 PolarHBondContact O-N 3.46Å; Q42-Q45 VanDerWaalsContact O-N 3.11Å; Q42-E46 WeakPolarHBondContact O-CG 3.22Å; Q42-E46 PolarHBondContact O-N 3.48Å |
| 43 | A | 82.6 | Confident | 80.7 | Confident | 55 Ų | 55 | 115 Ų | 115 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | R39 K40 K47 | R39-A43 PolarHBondContact O-N 2.92Å; R39-A43 VanDerWaalsContact O-N 3.07Å; K40-A43 PolarHBondContact O-N 3.47Å; A43-K47 PolarHBondContact O-N 2.83Å |
| 44 | H | 83.5 | Confident | 82.4 | Confident | 135 Ų | 135 | 118.9 Ų | 118.9 | 63% | 0.625 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.6 | -40.3 | 172.2 | -105.4 | 52.6 | 0 | 0 | 0 | 112 | K40 M41 Q42 K47 L48 | K40-H44 PolarHBondContact O-N 2.94Å; M41-H44 PolarHBondContact O-N 3.48Å; Q42-H44 VanDerWaalsContact C-N 3.32Å; Q42-H44 PolarHBondContact O-N 3.33Å; H44-K47 PolarHBondContact O-N 3.39Å; H44-L48 WeakPolarHBondContact O-CB 3.15Å; H44-L48 PolarHBondContact O-N 3.07Å |
| 45 | Q | 85.1 | Confident | 84 | Confident | 104 Ų | 104 | 119.2 Ų | 119.2 | 49% | 0.486 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -42 | -179 | -149.1 | 175.5 | -26.9 | 0 | 0 | 111.6 | M41 Q42 L48 Q49 | M41-Q45 WeakPolarHBondContact O-CB 3.27Å; M41-Q45 PolarHBondContact O-N 2.83Å; Q42-Q45 WeakPolarHBondContact O-CB 3.42Å; Q42-Q45 PolarHBondContact O-N 3.46Å; Q42-Q45 VanDerWaalsContact O-N 3.11Å; Q45-L48 PolarHBondContact O-N 2.98Å; Q45-Q49 WeakPolarHBondContact O-CB 2.9Å; Q45-Q49 WeakPolarHBondContact O-CG 3.25Å; Q45-Q49 PolarHBondContact O-N 3.36Å |
| 46 | E | 87.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 118 Ų | 118 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.4 | -44.7 | 174 | -72.9 | 178.7 | 168.8 | 0 | 0 | 111.7 | Q42 L48 Q49 L50 | Q42-E46 WeakPolarHBondContact O-CG 3.22Å; Q42-E46 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.99Å; E46-Q49 PolarHBondContact O-N 2.86Å; E46-L50 PolarHBondContact O-N 3.33Å; E46-L50 VanDerWaalsContact O-N 3.09Å |
| 47 | K | 88.9 | Confident | 86.5 | Confident | 131 Ų | 131 | 119.6 Ų | 119.6 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.9 | -43.4 | 175.7 | -173 | -177.2 | 174.1 | -169.8 | 0 | 111.5 | A43 H44 L50 E51 | A43-K47 PolarHBondContact O-N 2.83Å; H44-K47 PolarHBondContact O-N 3.39Å; K47-L50 PolarHBondContact O-N 3.47Å; K47-E51 VanDerWaalsContact CE-OE1 3.25Å; K47-E51 WeakPolarHBondContact CE-OE1 3.45Å; K47-E51 IonicContact NZ-OE1 3.7Å; K47-E51 PolarHBondContact O-N 3.47Å; K47-E51 VanDerWaalsContact O-N 3.08Å |
| 48 | L | 89.3 | Confident | 87.6 | Confident | 101 Ų | 101 | 118.7 Ų | 118.7 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -41.4 | 179.9 | -140.8 | 90.9 | 0 | 0 | 0 | 111.7 | H44 Q45 E46 E51 Q52 | H44-L48 WeakPolarHBondContact O-CB 3.15Å; H44-L48 PolarHBondContact O-N 3.07Å; Q45-L48 PolarHBondContact O-N 2.98Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-L48 PolarHBondContact O-N 2.99Å; L48-E51 PolarHBondContact O-N 3.43Å; L48-Q52 WeakPolarHBondContact O-CB 2.9Å; L48-Q52 WeakPolarHBondContact O-CG 3.41Å; L48-Q52 PolarHBondContact O-N 3.43Å |
| 49 | Q | 90.6 | Very high | 88.4 | Confident | 116 Ų | 116 | 118.2 Ų | 118.2 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 177.8 | -77.9 | -177.7 | -12.2 | 0 | 0 | 111.9 | Q45 E46 Q52 L53 | Q45-Q49 WeakPolarHBondContact O-CB 2.9Å; Q45-Q49 WeakPolarHBondContact O-CG 3.25Å; Q45-Q49 PolarHBondContact O-N 3.36Å; E46-Q49 PolarHBondContact O-N 2.86Å; Q49-Q52 PolarHBondContact O-N 3Å; Q49-L53 WeakPolarHBondContact O-CB 3.39Å; Q49-L53 PolarHBondContact O-N 3.29Å |
| 50 | L | 91 | Very high | 89 | Confident | 134 Ų | 134 | 111.6 Ų | 111.6 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 177.8 | -162.8 | 110.5 | 0 | 0 | 0 | 111.8 | E46 K47 R54 | E46-L50 PolarHBondContact O-N 3.33Å; E46-L50 VanDerWaalsContact O-N 3.09Å; K47-L50 PolarHBondContact O-N 3.47Å; L50-R54 PolarHBondContact O-N 2.8Å; L50-R54 VanDerWaalsContact O-N 3.16Å |
| 51 | E | 90.6 | Very high | 89.7 | Confident | 95 Ų | 95 | 113.3 Ų | 113.3 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -42 | 174.7 | -73.8 | -174.6 | -174.7 | 0 | 0 | 111.6 | K47 L48 L53 R54 L55 | K47-E51 VanDerWaalsContact CE-OE1 3.25Å; K47-E51 WeakPolarHBondContact CE-OE1 3.45Å; K47-E51 IonicContact NZ-OE1 3.7Å; K47-E51 PolarHBondContact O-N 3.47Å; K47-E51 VanDerWaalsContact O-N 3.08Å; L48-E51 PolarHBondContact O-N 3.43Å; E51-L53 PolarHBondContact O-N 2.96Å; E51-R54 PolarHBondContact O-N 3.29Å; E51-L55 VanDerWaalsContact O-CD1 3.27Å; E51-L55 WeakPolarHBondContact O-CD1 3.34Å; E51-L55 PolarHBondContact O-N 2.75Å |
| 52 | Q | 89.4 | Confident | 90.2 | Very high | 113 Ų | 113 | 112.2 Ų | 112.2 | 53% | 0.528 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 174.8 | -83.5 | -168.5 | -18.5 | 0 | 0 | 112.2 | L48 Q49 R54 L55 E56 | L48-Q52 WeakPolarHBondContact O-CB 2.9Å; L48-Q52 WeakPolarHBondContact O-CG 3.41Å; L48-Q52 PolarHBondContact O-N 3.43Å; Q49-Q52 PolarHBondContact O-N 3Å; Q52-R54 VanDerWaalsContact C-N 3.29Å; Q52-R54 PolarHBondContact O-N 3.45Å; Q52-L55 PolarHBondContact O-N 3.15Å; Q52-L55 VanDerWaalsContact O-N 3.17Å; Q52-E56 WeakPolarHBondContact O-CG 3.47Å; Q52-E56 PolarHBondContact O-N 3.03Å |
| 53 | L | 91.9 | Very high | 90.7 | Very high | 116 Ų | 116 | 109.5 Ų | 109.5 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -38.1 | -178.5 | -163.6 | 142.9 | 0 | 0 | 0 | 111.6 | Q49 E51 E56 E57 | Q49-L53 WeakPolarHBondContact O-CB 3.39Å; Q49-L53 PolarHBondContact O-N 3.29Å; E51-L53 PolarHBondContact O-N 2.96Å; L53-E56 PolarHBondContact O-N 3.03Å; L53-E57 PolarHBondContact O-N 3.32Å |
| 54 | R | 93.3 | Very high | 91.2 | Very high | 164 Ų | 164 | 109.6 Ų | 109.6 | 62% | 0.619 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -43.7 | 173.4 | -175 | -177.4 | 177.6 | 137.8 | 2.6 | 112.3 | L50 E51 Q52 E56 E57 E58 | L50-R54 PolarHBondContact O-N 2.8Å; L50-R54 VanDerWaalsContact O-N 3.16Å; E51-R54 PolarHBondContact O-N 3.29Å; Q52-R54 VanDerWaalsContact C-N 3.29Å; Q52-R54 PolarHBondContact O-N 3.45Å; R54-E56 VanDerWaalsContact C-N 3.34Å; R54-E57 PolarHBondContact O-N 2.98Å; R54-E58 IonicContact CZ-OE1 3.86Å; R54-E58 IonicContact NE-OE1 2.68Å; R54-E58 PolarHBondContact NE-OE1 2.8Å; R54-E58 IonicContact NH2-OE1 3.78Å; R54-E58 WeakPolarHBondContact O-CG 3.16Å; R54-E58 PolarHBondContact O-N 3.33Å |
| 55 | L | 94.3 | Very high | 91.6 | Very high | 104 Ų | 104 | 109.2 Ų | 109.2 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.5 | -95.6 | 120.7 | 0 | 0 | 0 | 111.4 | E51 Q52 E57 E58 V59 | E51-L55 VanDerWaalsContact O-CD1 3.27Å; E51-L55 WeakPolarHBondContact O-CD1 3.34Å; E51-L55 PolarHBondContact O-N 2.75Å; Q52-L55 PolarHBondContact O-N 3.15Å; Q52-L55 VanDerWaalsContact O-N 3.17Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.45Å; L55-E58 PolarHBondContact O-N 2.89Å; L55-V59 WeakPolarHBondContact O-CB 3.43Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.35Å |
| 56 | E | 93.1 | Very high | 91.9 | Very high | 134 Ų | 134 | 111 Ų | 111 | 63% | 0.626 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -61 | -41.9 | 175.5 | -78 | -177.3 | 170.3 | 0 | 0 | 111.7 | Q52 L53 R54 V59 A60 | Q52-E56 WeakPolarHBondContact O-CG 3.47Å; Q52-E56 PolarHBondContact O-N 3.03Å; L53-E56 PolarHBondContact O-N 3.03Å; R54-E56 VanDerWaalsContact C-N 3.34Å; E56-V59 PolarHBondContact O-N 3.46Å; E56-A60 VanDerWaalsContact O-CB 3.24Å; E56-A60 WeakPolarHBondContact O-CB 3.47Å; E56-A60 PolarHBondContact O-N 3.48Å |
| 57 | E | 92.5 | Very high | 92 | Very high | 137 Ų | 137 | 110.6 Ų | 110.6 | 64% | 0.64 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 175.1 | -172 | -176.8 | 177.1 | 0 | 0 | 112 | L53 R54 L55 V59 A60 R61 | L53-E57 PolarHBondContact O-N 3.32Å; R54-E57 PolarHBondContact O-N 2.98Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.45Å; E57-V59 VanDerWaalsContact C-N 3.34Å; E57-V59 PolarHBondContact O-N 3.47Å; E57-A60 PolarHBondContact O-N 2.99Å; E57-R61 WeakPolarHBondContact O-CB 3.23Å; E57-R61 PolarHBondContact O-N 3.17Å |
| 58 | E | 92.7 | Very high | 92.1 | Very high | 74 Ų | 74 | 106.9 Ų | 106.9 | 35% | 0.346 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 177.7 | -73 | 178.2 | -165.3 | 0 | 0 | 111.6 | R54 L55 L62 | R54-E58 IonicContact CZ-OE1 3.86Å; R54-E58 IonicContact NE-OE1 2.68Å; R54-E58 PolarHBondContact NE-OE1 2.8Å; R54-E58 IonicContact NH2-OE1 3.78Å; R54-E58 WeakPolarHBondContact O-CG 3.16Å; R54-E58 PolarHBondContact O-N 3.33Å; L55-E58 PolarHBondContact O-N 2.89Å; E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CD1 3.48Å; E58-L62 VanDerWaalsContact O-CG 3.32Å; E58-L62 WeakPolarHBondContact O-CG 3.38Å; E58-L62 PolarHBondContact O-N 2.9Å |
| 59 | V | 94.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 108.2 Ų | 108.2 | 54% | 0.539 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | L55 E56 E57 R61 L62 A63 | L55-V59 WeakPolarHBondContact O-CB 3.43Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.43Å; L55-V59 PolarHBondContact O-N 3.35Å; E56-V59 PolarHBondContact O-N 3.46Å; E57-V59 VanDerWaalsContact C-N 3.34Å; E57-V59 PolarHBondContact O-N 3.47Å; V59-R61 VanDerWaalsContact C-N 3.3Å; V59-R61 PolarHBondContact O-N 3.28Å; V59-L62 PolarHBondContact O-N 2.86Å; V59-A63 VanDerWaalsContact O-CB 3.27Å; V59-A63 WeakPolarHBondContact O-CB 3.47Å; V59-A63 PolarHBondContact O-N 3.48Å |
| 60 | A | 93.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 108.6 Ų | 108.6 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.3 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E56 E57 A63 A64 | E56-A60 VanDerWaalsContact O-CB 3.24Å; E56-A60 WeakPolarHBondContact O-CB 3.47Å; E56-A60 PolarHBondContact O-N 3.48Å; E57-A60 PolarHBondContact O-N 2.99Å; A60-A63 PolarHBondContact O-N 2.84Å; A60-A64 WeakPolarHBondContact O-CB 3.31Å; A60-A64 PolarHBondContact O-N 2.81Å |
| 61 | R | 93.3 | Very high | 91.9 | Very high | 163 Ų | 163 | 107 Ų | 107 | 62% | 0.615 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.3 | -46.9 | 175.3 | -170.2 | -178.3 | 72.4 | -155.3 | -2.1 | 111.9 | E57 V59 A63 A64 E65 | E57-R61 WeakPolarHBondContact O-CB 3.23Å; E57-R61 PolarHBondContact O-N 3.17Å; V59-R61 VanDerWaalsContact C-N 3.3Å; V59-R61 PolarHBondContact O-N 3.28Å; R61-A63 VanDerWaalsContact C-N 3.31Å; R61-A63 PolarHBondContact O-N 2.87Å; R61-A64 PolarHBondContact O-N 2.94Å; R61-E65 PolarHBondContact O-N 2.95Å |
| 62 | L | 92.9 | Very high | 91.8 | Very high | 96 Ų | 96 | 107 Ų | 107 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 177.7 | -77.5 | 164.2 | 0 | 0 | 0 | 112.1 | E58 V59 K66 | E58-L62 WeakPolarHBondContact O-CB 3.39Å; E58-L62 WeakPolarHBondContact O-CD1 3.48Å; E58-L62 VanDerWaalsContact O-CG 3.32Å; E58-L62 WeakPolarHBondContact O-CG 3.38Å; E58-L62 PolarHBondContact O-N 2.9Å; V59-L62 PolarHBondContact O-N 2.86Å; L62-K66 WeakPolarHBondContact O-CB 3.45Å; L62-K66 WeakPolarHBondContact O-CG 3.15Å; L62-K66 PolarHBondContact O-N 3.43Å |
| 63 | A | 94.2 | Very high | 91.7 | Very high | 53 Ų | 53 | 104.7 Ų | 104.7 | 44% | 0.438 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V59 A60 R61 E65 K66 E67 | V59-A63 VanDerWaalsContact O-CB 3.27Å; V59-A63 WeakPolarHBondContact O-CB 3.47Å; V59-A63 PolarHBondContact O-N 3.48Å; A60-A63 PolarHBondContact O-N 2.84Å; R61-A63 VanDerWaalsContact C-N 3.31Å; R61-A63 PolarHBondContact O-N 2.87Å; A63-E65 PolarHBondContact O-N 3.26Å; A63-K66 PolarHBondContact O-N 3.44Å; A63-E67 WeakPolarHBondContact O-CB 3.47Å; A63-E67 PolarHBondContact O-N 2.9Å |
| 64 | A | 92.9 | Very high | 91.4 | Very high | 56 Ų | 56 | 105.8 Ų | 105.8 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A60 R61 E67 A68 | A60-A64 WeakPolarHBondContact O-CB 3.31Å; A60-A64 PolarHBondContact O-N 2.81Å; R61-A64 PolarHBondContact O-N 2.94Å; A64-E67 PolarHBondContact O-N 3.16Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.95Å |
| 65 | E | 92.4 | Very high | 90.9 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 176.1 | -173.5 | 179.7 | 173.2 | 0 | 0 | 111.7 | R61 A63 A68 L69 | R61-E65 PolarHBondContact O-N 2.95Å; A63-E65 PolarHBondContact O-N 3.26Å; E65-A68 PolarHBondContact O-N 3.44Å; E65-L69 PolarHBondContact O-N 3.1Å |
| 66 | K | 91.1 | Very high | 90.3 | Very high | 143 Ų | 143 | 100.9 Ų | 100.9 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.6 | -83.1 | -155.8 | 168.6 | -148.9 | 0 | 112.7 | L62 A63 A68 L69 E70 | L62-K66 WeakPolarHBondContact O-CB 3.45Å; L62-K66 WeakPolarHBondContact O-CG 3.15Å; L62-K66 PolarHBondContact O-N 3.43Å; A63-K66 PolarHBondContact O-N 3.44Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 2.95Å; K66-L69 WeakPolarHBondContact O-CB 3.49Å; K66-L69 PolarHBondContact O-N 3.15Å; K66-L69 VanDerWaalsContact O-N 3.17Å; K66-E70 WeakPolarHBondContact O-CG 3.32Å; K66-E70 PolarHBondContact O-N 3.48Å |
| 67 | E | 90.3 | Very high | 89.9 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178.9 | -171.4 | 178.6 | 175.7 | 0 | 0 | 111.1 | A63 A64 L69 E70 Q71 | A63-E67 WeakPolarHBondContact O-CB 3.47Å; A63-E67 PolarHBondContact O-N 2.9Å; A64-E67 PolarHBondContact O-N 3.16Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.28Å; E67-E70 PolarHBondContact O-N 3.39Å; E67-Q71 WeakPolarHBondContact O-CG 3.35Å; E67-Q71 PolarHBondContact O-N 3.49Å |
| 68 | A | 90.2 | Very high | 89.3 | Confident | 52 Ų | 52 | 102.2 Ų | 102.2 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A64 E65 K66 V72 | A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 2.95Å; E65-A68 PolarHBondContact O-N 3.44Å; K66-A68 VanDerWaalsContact C-N 3.32Å; K66-A68 PolarHBondContact O-N 2.95Å; A68-V72 WeakPolarHBondContact O-CG2 3.27Å; A68-V72 PolarHBondContact O-N 2.87Å; A68-V72 VanDerWaalsContact O-N 3.15Å |
| 69 | L | 90.7 | Very high | 88.8 | Confident | 129 Ų | 129 | 105.7 Ų | 105.7 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -40.9 | 177 | -162.8 | 94 | 0 | 0 | 0 | 111.9 | E65 K66 E67 V72 A73 | E65-L69 PolarHBondContact O-N 3.1Å; K66-L69 WeakPolarHBondContact O-CB 3.49Å; K66-L69 PolarHBondContact O-N 3.15Å; K66-L69 VanDerWaalsContact O-N 3.17Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.28Å; L69-V72 PolarHBondContact O-N 2.89Å; L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 3.35Å |
| 70 | E | 89.1 | Confident | 88.4 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -43.6 | 177.8 | -76.5 | 179.4 | 175.9 | 0 | 0 | 111.5 | K66 E67 V72 A73 E74 | K66-E70 WeakPolarHBondContact O-CG 3.32Å; K66-E70 PolarHBondContact O-N 3.48Å; E67-E70 PolarHBondContact O-N 3.39Å; E70-V72 PolarHBondContact O-N 3.31Å; E70-A73 WeakPolarHBondContact O-CB 3.34Å; E70-A73 PolarHBondContact O-N 3.14Å; E70-A73 VanDerWaalsContact O-N 3.15Å; E70-E74 WeakPolarHBondContact O-CG 3.14Å; E70-E74 PolarHBondContact O-N 3.45Å |
| 71 | Q | 87.9 | Confident | 88.1 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.8 | -46 | 174.9 | -72.9 | 177.2 | 14.1 | 0 | 0 | 111.9 | E67 A73 E74 E75 | E67-Q71 WeakPolarHBondContact O-CG 3.35Å; E67-Q71 PolarHBondContact O-N 3.49Å; Q71-A73 VanDerWaalsContact C-N 3.3Å; Q71-A73 PolarHBondContact O-N 3.42Å; Q71-E74 PolarHBondContact O-N 3.46Å; Q71-E75 WeakPolarHBondContact O-CB 3.46Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 2.97Å |
| 72 | V | 87.9 | Confident | 87.8 | Confident | 96 Ų | 96 | 104 Ų | 104 | 58% | 0.582 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.1 | -37.8 | 177 | 173 | 0 | 0 | 0 | 0 | 111.5 | A68 L69 E70 G76 | A68-V72 WeakPolarHBondContact O-CG2 3.27Å; A68-V72 PolarHBondContact O-N 2.87Å; A68-V72 VanDerWaalsContact O-N 3.15Å; L69-V72 PolarHBondContact O-N 2.89Å; E70-V72 PolarHBondContact O-N 3.31Å; V72-G76 PolarHBondContact O-N 3.42Å |
| 73 | A | 88.3 | Confident | 87.6 | Confident | 63 Ų | 63 | 107.5 Ų | 107.5 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.7 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L69 E70 Q71 G76 R77 | L69-A73 WeakPolarHBondContact O-CB 3.49Å; L69-A73 PolarHBondContact O-N 3.35Å; E70-A73 WeakPolarHBondContact O-CB 3.34Å; E70-A73 PolarHBondContact O-N 3.14Å; E70-A73 VanDerWaalsContact O-N 3.15Å; Q71-A73 VanDerWaalsContact C-N 3.3Å; Q71-A73 PolarHBondContact O-N 3.42Å; A73-G76 PolarHBondContact O-N 3.15Å; A73-R77 WeakPolarHBondContact O-CB 3.49Å; A73-R77 PolarHBondContact O-N 3.5Å |
| 74 | E | 85.1 | Confident | 87.5 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 65% | 0.65 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66 | -45.8 | 175.6 | -74.9 | -171.4 | 165.5 | 0 | 0 | 111.9 | E70 Q71 G76 R77 Q78 | E70-E74 WeakPolarHBondContact O-CG 3.14Å; E70-E74 PolarHBondContact O-N 3.45Å; Q71-E74 PolarHBondContact O-N 3.46Å; E74-G76 VanDerWaalsContact C-N 3.33Å; E74-G76 PolarHBondContact O-N 3.09Å; E74-R77 WeakPolarHBondContact O-CB 3.43Å; E74-R77 PolarHBondContact O-N 3Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E74-Q78 WeakPolarHBondContact O-CB 3.34Å; E74-Q78 PolarHBondContact O-N 2.9Å |
| 75 | E | 82.8 | Confident | 87.4 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 59% | 0.593 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.3 | -44.8 | 174.7 | -73.9 | -179.7 | 177.6 | 0 | 0 | 111.4 | Q71 R77 Q78 Q79 | Q71-E75 WeakPolarHBondContact O-CB 3.46Å; Q71-E75 WeakPolarHBondContact O-CG 3.44Å; Q71-E75 PolarHBondContact O-N 2.97Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.28Å; E75-Q78 PolarHBondContact O-N 2.92Å; E75-Q79 WeakPolarHBondContact O-CB 3.49Å; E75-Q79 PolarHBondContact O-N 3.32Å |
| 76 | G | 82.2 | Confident | 87.5 | Confident | 39 Ų | 39 | 110.2 Ų | 110.2 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.5 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V72 A73 E74 N80 | V72-G76 PolarHBondContact O-N 3.42Å; A73-G76 PolarHBondContact O-N 3.15Å; E74-G76 VanDerWaalsContact C-N 3.33Å; E74-G76 PolarHBondContact O-N 3.09Å; G76-N80 WeakPolarHBondContact O-CB 3.47Å; G76-N80 PolarHBondContact O-N 3.4Å; G76-N80 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 83.8 | Confident | 87.6 | Confident | 170 Ų | 170 | 107.7 Ų | 107.7 | 64% | 0.642 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.9 | -45.4 | 175.7 | -176.1 | 179.3 | 177.2 | 164.5 | 3.7 | 111.8 | A73 E74 E75 Q79 N80 E81 | A73-R77 WeakPolarHBondContact O-CB 3.49Å; A73-R77 PolarHBondContact O-N 3.5Å; E74-R77 WeakPolarHBondContact O-CB 3.43Å; E74-R77 PolarHBondContact O-N 3Å; E74-R77 VanDerWaalsContact O-N 3.16Å; E75-R77 VanDerWaalsContact C-N 3.31Å; E75-R77 PolarHBondContact O-N 3.28Å; R77-Q79 VanDerWaalsContact C-N 3.33Å; R77-Q79 PolarHBondContact O-N 3.16Å; R77-N80 PolarHBondContact O-N 3.43Å; R77-N80 VanDerWaalsContact O-N 3.15Å; R77-E81 IonicContact CZ-OE1 3.96Å; R77-E81 IonicContact NE-OE1 3.02Å; R77-E81 PolarHBondContact NE-OE1 2.88Å; R77-E81 IonicContact NH2-OE1 3.46Å; R77-E81 WeakPolarHBondContact O-CG 3.46Å; R77-E81 PolarHBondContact O-N 3.45Å |
| 78 | Q | 80.2 | Confident | 87.8 | Confident | 129 Ų | 129 | 107.7 Ų | 107.7 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.1 | -37.5 | 179.6 | -166.2 | 172.2 | 11.3 | 0 | 0 | 111.8 | E74 E75 N80 E81 T82 | E74-Q78 WeakPolarHBondContact O-CB 3.34Å; E74-Q78 PolarHBondContact O-N 2.9Å; E75-Q78 PolarHBondContact O-N 2.92Å; Q78-N80 VanDerWaalsContact C-N 3.34Å; Q78-E81 PolarHBondContact O-N 2.9Å; Q78-T82 WeakPolarHBondContact O-CG2 3.45Å; Q78-T82 PolarHBondContact O-N 3.44Å; Q78-T82 PolarHBondContact O-OG1 3.43Å |
| 79 | Q | 82.5 | Confident | 88.1 | Confident | 146 Ų | 146 | 113.1 Ų | 113.1 | 68% | 0.682 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -38.8 | 172.7 | -169 | -174.3 | 91.8 | 0 | 0 | 111.8 | E75 R77 T82 R83 | E75-Q79 WeakPolarHBondContact O-CB 3.49Å; E75-Q79 PolarHBondContact O-N 3.32Å; R77-Q79 VanDerWaalsContact C-N 3.33Å; R77-Q79 PolarHBondContact O-N 3.16Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.32Å; Q79-T82 PolarHBondContact O-OG1 3.25Å; Q79-R83 WeakPolarHBondContact O-CB 3.42Å; Q79-R83 PolarHBondContact O-N 3.06Å |
| 80 | N | 86 | Confident | 88.3 | Confident | 102 Ų | 102 | 110 Ų | 110 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 177.3 | -165.3 | 13.5 | 0 | 0 | 0 | 111.8 | G76 R77 Q78 T82 R83 V84 | G76-N80 WeakPolarHBondContact O-CB 3.47Å; G76-N80 PolarHBondContact O-N 3.4Å; G76-N80 VanDerWaalsContact O-N 3.09Å; R77-N80 PolarHBondContact O-N 3.43Å; R77-N80 VanDerWaalsContact O-N 3.15Å; Q78-N80 VanDerWaalsContact C-N 3.34Å; N80-T82 PolarHBondContact O-N 2.89Å; N80-R83 PolarHBondContact O-N 3.3Å; N80-V84 WeakPolarHBondContact O-CG2 3.34Å; N80-V84 PolarHBondContact O-N 2.96Å |
| 81 | E | 86.5 | Confident | 88.7 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 51% | 0.505 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.8 | -72.8 | 175.4 | -174.9 | 0 | 0 | 112 | R77 Q78 V84 A85 | R77-E81 IonicContact CZ-OE1 3.96Å; R77-E81 IonicContact NE-OE1 3.02Å; R77-E81 PolarHBondContact NE-OE1 2.88Å; R77-E81 IonicContact NH2-OE1 3.46Å; R77-E81 WeakPolarHBondContact O-CG 3.46Å; R77-E81 PolarHBondContact O-N 3.45Å; Q78-E81 PolarHBondContact O-N 2.9Å; E81-V84 PolarHBondContact O-N 3.5Å; E81-A85 WeakPolarHBondContact O-CB 3.4Å; E81-A85 PolarHBondContact O-N 2.87Å |
| 82 | T | 87.4 | Confident | 89.1 | Confident | 69 Ų | 69 | 107 Ų | 107 | 42% | 0.423 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 175 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | Q78 Q79 N80 A85 W86 | Q78-T82 WeakPolarHBondContact O-CG2 3.45Å; Q78-T82 PolarHBondContact O-N 3.44Å; Q78-T82 PolarHBondContact O-OG1 3.43Å; Q79-T82 WeakPolarHBondContact CA-OG1 3.32Å; Q79-T82 PolarHBondContact O-OG1 3.25Å; N80-T82 PolarHBondContact O-N 2.89Å; T82-A85 PolarHBondContact O-N 2.93Å; T82-W86 PolarHBondContact O-N 3.22Å |
| 83 | R | 88.9 | Confident | 89.5 | Confident | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 175.6 | -174.4 | 175.1 | 178.3 | 175.6 | 0.2 | 112.1 | Q79 N80 A85 W86 D87 | Q79-R83 WeakPolarHBondContact O-CB 3.42Å; Q79-R83 PolarHBondContact O-N 3.06Å; N80-R83 PolarHBondContact O-N 3.3Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.94Å; R83-W86 PolarHBondContact O-N 3.46Å; R83-D87 PolarHBondContact O-N 2.99Å |
| 84 | V | 91.1 | Very high | 89.8 | Confident | 74 Ų | 74 | 108.9 Ų | 108.9 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | N80 E81 D87 L88 | N80-V84 WeakPolarHBondContact O-CG2 3.34Å; N80-V84 PolarHBondContact O-N 2.96Å; E81-V84 PolarHBondContact O-N 3.5Å; V84-D87 PolarHBondContact O-N 3.32Å; V84-L88 HydrophobicContact CG1-CD1 3.82Å; V84-L88 WeakPolarHBondContact O-CB 3.4Å; V84-L88 WeakPolarHBondContact O-CD1 3.4Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.98Å |
| 85 | A | 91.9 | Very high | 90.4 | Very high | 38 Ų | 38 | 106.6 Ų | 106.6 | 31% | 0.314 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E81 T82 R83 D87 L88 W89 | E81-A85 WeakPolarHBondContact O-CB 3.4Å; E81-A85 PolarHBondContact O-N 2.87Å; T82-A85 PolarHBondContact O-N 2.93Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 2.94Å; A85-D87 PolarHBondContact O-N 2.74Å; A85-L88 WeakPolarHBondContact O-CB 3.45Å; A85-L88 PolarHBondContact O-N 2.9Å; A85-W89 PolarHBondContact O-N 3.47Å |
| 86 | W | 93.2 | Very high | 91 | Very high | 182 Ų | 182 | 105.1 Ų | 105.1 | 69% | 0.689 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 176.3 | -85.9 | 108.7 | 0 | 0 | 0 | 112.9 | T82 R83 W89 S90 | T82-W86 PolarHBondContact O-N 3.22Å; R83-W86 PolarHBondContact O-N 3.46Å; W86-W89 PolarHBondContact O-N 2.88Å; W86-S90 VanDerWaalsContact O-CB 3.3Å; W86-S90 WeakPolarHBondContact O-CB 3.43Å; W86-S90 PolarHBondContact O-N 3.43Å; W86-S90 PolarHBondContact O-OG 2.91Å |
| 87 | D | 93.6 | Very high | 91.6 | Very high | 90 Ų | 90 | 109.7 Ų | 109.7 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.9 | -71.9 | -19.3 | 0 | 0 | 0 | 111.1 | R83 V84 A85 S90 T91 | R83-D87 PolarHBondContact O-N 2.99Å; V84-D87 PolarHBondContact O-N 3.32Å; A85-D87 PolarHBondContact O-N 2.74Å; D87-S90 PolarHBondContact O-N 2.92Å; D87-T91 WeakPolarHBondContact O-CB 3.3Å; D87-T91 PolarHBondContact O-N 2.98Å; D87-T91 PolarHBondContact O-OG1 3.34Å |
| 88 | L | 95.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 107.1 Ų | 107.1 | 60% | 0.602 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.8 | -48.6 | 174.4 | -81.9 | 156 | 0 | 0 | 0 | 112 | V84 A85 S90 T91 L92 | V84-L88 HydrophobicContact CG1-CD1 3.82Å; V84-L88 WeakPolarHBondContact O-CB 3.4Å; V84-L88 WeakPolarHBondContact O-CD1 3.4Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.98Å; A85-L88 WeakPolarHBondContact O-CB 3.45Å; A85-L88 PolarHBondContact O-N 2.9Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.5Å; L88-T91 PolarHBondContact O-N 3.21Å; L88-L92 WeakPolarHBondContact O-CB 3.49Å; L88-L92 PolarHBondContact O-N 3.42Å |
| 89 | W | 96.4 | Very high | 92.7 | Very high | 167 Ų | 167 | 105.8 Ų | 105.8 | 63% | 0.633 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.8 | -42.1 | 177.1 | -75.1 | 118.8 | 0 | 0 | 0 | 111.7 | A85 W86 L92 C93 | A85-W89 PolarHBondContact O-N 3.47Å; W86-W89 PolarHBondContact O-N 2.88Å; W89-L92 HydrophobicContact CE3-CD2 3.98Å; W89-L92 HydrophobicContact CZ3-CD2 3.86Å; W89-L92 PolarHBondContact O-N 2.72Å; W89-C93 PolarHBondContact O-N 3.47Å; W89-C93 PolarHBondContact O-SG 3.32Å |
| 90 | S | 94.7 | Very high | 93.2 | Very high | 63 Ų | 63 | 103.9 Ų | 103.9 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | W86 D87 L88 C93 M94 | W86-S90 VanDerWaalsContact O-CB 3.3Å; W86-S90 WeakPolarHBondContact O-CB 3.43Å; W86-S90 PolarHBondContact O-N 3.43Å; W86-S90 PolarHBondContact O-OG 2.91Å; D87-S90 PolarHBondContact O-N 2.92Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.5Å; S90-C93 PolarHBondContact O-N 3.38Å; S90-M94 WeakPolarHBondContact O-CG 3.49Å; S90-M94 PolarHBondContact O-N 3.32Å |
| 91 | T | 96.6 | Very high | 93.3 | Very high | 80 Ų | 80 | 102.5 Ų | 102.5 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 176.1 | -53.7 | 0 | 0 | 0 | 0 | 111 | D87 L88 C93 M94 I95 | D87-T91 WeakPolarHBondContact O-CB 3.3Å; D87-T91 PolarHBondContact O-N 2.98Å; D87-T91 PolarHBondContact O-OG1 3.34Å; L88-T91 PolarHBondContact O-N 3.21Å; T91-C93 VanDerWaalsContact C-N 3.34Å; T91-C93 PolarHBondContact O-N 3.29Å; T91-M94 WeakPolarHBondContact O-CB 3.33Å; T91-M94 PolarHBondContact O-N 3.32Å; T91-I95 HydrophobicContact CG2-CD1 4.1Å; T91-I95 VanDerWaalsContact O-CG1 3.31Å; T91-I95 WeakPolarHBondContact O-CG1 3.38Å; T91-I95 PolarHBondContact O-N 3.5Å |
| 92 | L | 96.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 101.3 Ų | 101.3 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.6 | -174.9 | 66.7 | 0 | 0 | 0 | 111.6 | L88 W89 I95 L96 | L88-L92 WeakPolarHBondContact O-CB 3.49Å; L88-L92 PolarHBondContact O-N 3.42Å; W89-L92 HydrophobicContact CE3-CD2 3.98Å; W89-L92 HydrophobicContact CZ3-CD2 3.86Å; W89-L92 PolarHBondContact O-N 2.72Å; L92-I95 PolarHBondContact O-N 2.95Å; L92-L96 HydrophobicContact CG-CD1 4.34Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 3.3Å |
| 93 | C | 95.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 106.2 Ų | 106.2 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.2 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | W89 S90 T91 I95 L96 F97 | W89-C93 PolarHBondContact O-N 3.47Å; W89-C93 PolarHBondContact O-SG 3.32Å; S90-C93 PolarHBondContact O-N 3.38Å; T91-C93 VanDerWaalsContact C-N 3.34Å; T91-C93 PolarHBondContact O-N 3.29Å; C93-I95 PolarHBondContact O-N 2.93Å; C93-L96 PolarHBondContact O-N 3.46Å; C93-F97 WeakPolarHBondContact O-CD2 3.31Å; C93-F97 PolarHBondContact O-N 2.93Å |
| 94 | M | 95.9 | Very high | 93.1 | Very high | 133 Ų | 133 | 104 Ų | 104 | 66% | 0.655 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -44.4 | 175.9 | -74.8 | -65.7 | -167.3 | 0 | 0 | 112 | S90 T91 L96 F97 L98 | S90-M94 WeakPolarHBondContact O-CG 3.49Å; S90-M94 PolarHBondContact O-N 3.32Å; T91-M94 WeakPolarHBondContact O-CB 3.33Å; T91-M94 PolarHBondContact O-N 3.32Å; M94-L96 PolarHBondContact O-N 2.96Å; M94-F97 PolarHBondContact O-N 3.46Å; M94-L98 WeakPolarHBondContact O-CG 3.45Å; M94-L98 PolarHBondContact O-N 3.47Å |
| 95 | I | 96.6 | Very high | 92.5 | Very high | 91 Ų | 91 | 105.8 Ų | 105.8 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 177.3 | -66.3 | 166.5 | 0 | 0 | 0 | 110.8 | T91 L92 C93 F97 L98 M99 | T91-I95 HydrophobicContact CG2-CD1 4.1Å; T91-I95 VanDerWaalsContact O-CG1 3.31Å; T91-I95 WeakPolarHBondContact O-CG1 3.38Å; T91-I95 PolarHBondContact O-N 3.5Å; L92-I95 PolarHBondContact O-N 2.95Å; C93-I95 PolarHBondContact O-N 2.93Å; I95-F97 PolarHBondContact O-N 3.11Å; I95-L98 PolarHBondContact O-N 3.3Å; I95-M99 HydrophobicContact CG2-CG 4.43Å; I95-M99 WeakPolarHBondContact O-CG 3.47Å; I95-M99 PolarHBondContact O-N 3.22Å |
| 96 | L | 96.6 | Very high | 91.8 | Very high | 96 Ų | 96 | 109.6 Ų | 109.6 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 177.2 | -76 | 169.2 | 0 | 0 | 0 | 111.8 | L92 C93 M94 M99 I100 | L92-L96 HydrophobicContact CG-CD1 4.34Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 3.3Å; C93-L96 PolarHBondContact O-N 3.46Å; M94-L96 PolarHBondContact O-N 2.96Å; L96-M99 PolarHBondContact O-N 2.68Å; L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.49Å |
| 97 | F | 94.3 | Very high | 90.7 | Very high | 136 Ų | 136 | 108.5 Ų | 108.5 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.2 | -44.5 | 174.8 | -91.9 | -71.6 | 0 | 0 | 0 | 112.2 | C93 M94 I95 M99 I100 E101 | C93-F97 WeakPolarHBondContact O-CD2 3.31Å; C93-F97 PolarHBondContact O-N 2.93Å; M94-F97 PolarHBondContact O-N 3.46Å; I95-F97 PolarHBondContact O-N 3.11Å; F97-M99 VanDerWaalsContact C-N 3.34Å; F97-M99 PolarHBondContact O-N 2.83Å; F97-I100 PolarHBondContact O-N 2.91Å; F97-E101 WeakPolarHBondContact O-CB 3.25Å; F97-E101 WeakPolarHBondContact O-CG 3.24Å; F97-E101 PolarHBondContact O-N 3.47Å |
| 98 | L | 94.5 | Very high | 89.3 | Confident | 116 Ų | 116 | 110.9 Ų | 110.9 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 176.4 | -72.6 | 172.6 | 0 | 0 | 0 | 111.7 | M94 I95 I100 E101 V102 | M94-L98 WeakPolarHBondContact O-CG 3.45Å; M94-L98 PolarHBondContact O-N 3.47Å; I95-L98 PolarHBondContact O-N 3.3Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.28Å; L98-E101 PolarHBondContact O-N 3.49Å; L98-V102 WeakPolarHBondContact O-CB 3.39Å; L98-V102 VanDerWaalsContact O-CG2 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.37Å; L98-V102 PolarHBondContact O-N 2.84Å |
| 99 | M | 92.6 | Very high | 87.6 | Confident | 100 Ų | 100 | 113.2 Ų | 113.2 | 49% | 0.493 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -45.5 | 174.5 | -72.7 | -68.1 | -71.3 | 0 | 0 | 110.8 | I95 L96 F97 E101 V102 W103 | I95-M99 HydrophobicContact CG2-CG 4.43Å; I95-M99 WeakPolarHBondContact O-CG 3.47Å; I95-M99 PolarHBondContact O-N 3.22Å; L96-M99 PolarHBondContact O-N 2.68Å; F97-M99 VanDerWaalsContact C-N 3.34Å; F97-M99 PolarHBondContact O-N 2.83Å; M99-E101 PolarHBondContact O-N 3.33Å; M99-V102 PolarHBondContact O-N 3.39Å; M99-W103 WeakPolarHBondContact O-CB 3.3Å; M99-W103 PolarHBondContact O-N 2.87Å |
| 100 | I | 91.8 | Very high | 85.8 | Confident | 106 Ų | 106 | 107.3 Ų | 107.3 | 54% | 0.544 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 177.2 | -66.6 | 163 | 0 | 0 | 0 | 111.2 | L96 F97 L98 W103 R104 | L96-I100 VanDerWaalsContact O-CG1 3.25Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 3.49Å; F97-I100 PolarHBondContact O-N 2.91Å; L98-I100 VanDerWaalsContact C-N 3.34Å; L98-I100 PolarHBondContact O-N 3.28Å; I100-W103 PolarHBondContact O-N 2.94Å; I100-R104 VanDerWaalsContact O-CB 3.22Å; I100-R104 WeakPolarHBondContact O-CB 3.5Å; I100-R104 PolarHBondContact O-N 3.43Å |
| 101 | E | 89.1 | Confident | 84 | Confident | 73 Ų | 73 | 110.3 Ų | 110.3 | 34% | 0.341 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.8 | -43.4 | 177.4 | -78.4 | -65.4 | 154.2 | 0 | 0 | 112.2 | F97 L98 M99 R104 Q105 | F97-E101 WeakPolarHBondContact O-CB 3.25Å; F97-E101 WeakPolarHBondContact O-CG 3.24Å; F97-E101 PolarHBondContact O-N 3.47Å; L98-E101 PolarHBondContact O-N 3.49Å; M99-E101 PolarHBondContact O-N 3.33Å; E101-R104 WeakPolarHBondContact O-CB 3.22Å; E101-R104 PolarHBondContact O-N 3.26Å; E101-R104 IonicContact OE1-CZ 3.06Å; E101-R104 IonicContact OE1-NE 3.67Å; E101-R104 IonicContact OE1-NH2 3.26Å; E101-R104 PolarHBondContact OE1-NH2 2.88Å; E101-R104 IonicContact OE2-CZ 3.91Å; E101-R104 VanDerWaalsContact OE2-CZ 3.26Å; E101-R104 IonicContact OE2-NE 3.11Å; E101-R104 PolarHBondContact OE2-NE 3.32Å; E101-R104 VanDerWaalsContact OE2-NE 3.11Å; E101-R104 IonicContact OE2-NH2 3.89Å; E101-R104 PolarHBondContact OE2-NH2 3.31Å; E101-Q105 WeakPolarHBondContact O-CB 3.48Å; E101-Q105 WeakPolarHBondContact O-CG 3.37Å; E101-Q105 PolarHBondContact O-N 2.91Å |
| 102 | V | 88.9 | Confident | 82 | Confident | 83 Ų | 83 | 111.1 Ų | 111.1 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -46.9 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | L98 M99 R104 Q105 D106 | L98-V102 WeakPolarHBondContact O-CB 3.39Å; L98-V102 VanDerWaalsContact O-CG2 3.24Å; L98-V102 WeakPolarHBondContact O-CG2 3.37Å; L98-V102 PolarHBondContact O-N 2.84Å; M99-V102 PolarHBondContact O-N 3.39Å; V102-R104 VanDerWaalsContact C-N 3.3Å; V102-R104 PolarHBondContact O-N 2.81Å; V102-Q105 PolarHBondContact O-N 3.28Å; V102-D106 WeakPolarHBondContact O-CB 3.32Å; V102-D106 PolarHBondContact O-N 2.88Å |
| 103 | W | 88.3 | Confident | 80 | Confident | 172 Ų | 172 | 113.4 Ų | 113.4 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.2 | -38 | 176.3 | -81.4 | 60.1 | 0 | 0 | 0 | 111.6 | M99 I100 H107 | M99-W103 WeakPolarHBondContact O-CB 3.3Å; M99-W103 PolarHBondContact O-N 2.87Å; I100-W103 PolarHBondContact O-N 2.94Å; W103-H107 WeakPolarHBondContact O-CB 3.36Å; W103-H107 PolarHBondContact O-N 3.03Å |
| 104 | R | 82.2 | Confident | 77.6 | Confident | 123 Ų | 123 | 122.5 Ų | 122.5 | 46% | 0.464 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65 | -41.6 | 176.1 | -175.8 | -179 | 74.7 | 129.5 | 0.9 | 111.6 | I100 E101 V102 Q108 | I100-R104 VanDerWaalsContact O-CB 3.22Å; I100-R104 WeakPolarHBondContact O-CB 3.5Å; I100-R104 PolarHBondContact O-N 3.43Å; E101-R104 WeakPolarHBondContact O-CB 3.22Å; E101-R104 PolarHBondContact O-N 3.26Å; E101-R104 IonicContact OE1-CZ 3.06Å; E101-R104 IonicContact OE1-NE 3.67Å; E101-R104 IonicContact OE1-NH2 3.26Å; E101-R104 PolarHBondContact OE1-NH2 2.88Å; E101-R104 IonicContact OE2-CZ 3.91Å; E101-R104 VanDerWaalsContact OE2-CZ 3.26Å; E101-R104 IonicContact OE2-NE 3.11Å; E101-R104 PolarHBondContact OE2-NE 3.32Å; E101-R104 VanDerWaalsContact OE2-NE 3.11Å; E101-R104 IonicContact OE2-NH2 3.89Å; E101-R104 PolarHBondContact OE2-NH2 3.31Å; V102-R104 VanDerWaalsContact C-N 3.3Å; V102-R104 PolarHBondContact O-N 2.81Å; R104-Q108 WeakPolarHBondContact O-CB 3.32Å; R104-Q108 VanDerWaalsContact O-CG 3.3Å; R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 3.45Å |
| 105 | Q | 78 | Confident | 76.7 | Confident | 110 Ų | 110 | 122 Ų | 122 | 51% | 0.514 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.3 | -48.1 | 177 | -75.4 | 178.5 | -30.1 | 0 | 0 | 111.3 | E101 V102 H107 Q108 E109 | E101-Q105 WeakPolarHBondContact O-CB 3.48Å; E101-Q105 WeakPolarHBondContact O-CG 3.37Å; E101-Q105 PolarHBondContact O-N 2.91Å; V102-Q105 PolarHBondContact O-N 3.28Å; Q105-H107 VanDerWaalsContact C-N 3.26Å; Q105-H107 PolarHBondContact O-N 2.87Å; Q105-Q108 CarbonylContact O-C 3.57Å; Q105-Q108 PolarHBondContact O-N 3.02Å; Q105-E109 PolarHBondContact O-N 3Å |
| 106 | D | 76.6 | Confident | 75.6 | Confident | 119 Ų | 119 | 123.6 Ų | 123.6 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -57.6 | -39.8 | 176.8 | -172.6 | 69.2 | 0 | 0 | 0 | 111.7 | V102 | V102-D106 WeakPolarHBondContact O-CB 3.32Å; V102-D106 PolarHBondContact O-N 2.88Å |
| 107 | H | 71.1 | Confident | 74.5 | Confident | 158 Ų | 158 | 125.1 Ų | 125.1 | 73% | 0.731 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.9 | -20.8 | 177.1 | -134.9 | -64.4 | 0 | 0 | 0 | 114.1 | W103 Q105 | W103-H107 WeakPolarHBondContact O-CB 3.36Å; W103-H107 PolarHBondContact O-N 3.03Å; Q105-H107 VanDerWaalsContact C-N 3.26Å; Q105-H107 PolarHBondContact O-N 2.87Å |
| 108 | Q | 63.5 | Low | 73.3 | Confident | 140 Ų | 140 | 124.5 Ų | 124.5 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -86.9 | -24.9 | 174.4 | -79.2 | -176.9 | 4.5 | 0 | 0 | 112.6 | R104 Q105 G110 | R104-Q108 WeakPolarHBondContact O-CB 3.32Å; R104-Q108 VanDerWaalsContact O-CG 3.3Å; R104-Q108 WeakPolarHBondContact O-CG 3.34Å; R104-Q108 PolarHBondContact O-N 3.45Å; Q105-Q108 CarbonylContact O-C 3.57Å; Q105-Q108 PolarHBondContact O-N 3.02Å; Q108-G110 PolarHBondContact O-N 3.27Å |
| 109 | E | 60 | Low | 72 | Confident | 164 Ų | 164 | 125 Ų | 125 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -75.7 | 33.3 | 167.1 | -70.5 | -175.6 | 170.3 | 0 | 0 | 112.5 | Q105 | Q105-E109 PolarHBondContact O-N 3Š|
| 110 | G | 57.7 | Low | 70.6 | Confident | 44 Ų | 44 | 126.7 Ų | 126.7 | 45% | 0.454 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -58 | 152 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q108 S112 | Q108-G110 PolarHBondContact O-N 3.27Å; G110-S112 PolarHBondContact O-N 3.02Å |
| 111 | P | 56.9 | Low | 69.1 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 124.9 | -157.8 | 22.6 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 112 | S | 55 | Low | 67.6 | Low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 126.4 | 164.5 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | G110 E114 | G110-S112 PolarHBondContact O-N 3.02Å; S112-E114 PolarHBondContact O-N 2.98Å |
| 113 | P | 55.1 | Low | 65.8 | Low | 130 Ų | 130 | 136.5 Ų | 136.5 | 84% | 0.844 | 70% | 0.7 | S | S | * | * | trans | -73.3 | 97.1 | 176.9 | 30.1 | -30.7 | 0 | 0 | 0 | 107.9 | ||||
| 114 | E | 45 | Very low | 63.7 | Low | 256 Ų | 256 | 133.3 Ų | 133.3 | 100% | 1.196 | 71% | 0.705 | S | S | * | * | trans | -109.6 | 0 | 159.2 | -67 | -157.9 | 128.9 | 0 | 0 | 110.3 | S112 | S112-E114 PolarHBondContact O-N 2.98Š|
Retrieved 114 of 114 residues in 35.9 ms
(Link to these results)