| 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 | 65.7 | Low | 91.7 | Very high | 244 Ų | 244 | 123.5 Ų | 123.5 | 100% | 1.202 | 64% | 0.643 | S | S | * | * | 0 | 121.6 | 0 | -142.5 | 175.5 | -166.8 | 0 | 0 | 108.7 | |||||
| 2 | V | 90.3 | Very high | 92 | Very high | 146 Ų | 146 | 129.7 Ų | 129.7 | 89% | 0.885 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -88 | 136.7 | -179.5 | -69.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 3 | N | 91 | Very high | 92.3 | Very high | 109 Ų | 109 | 133.8 Ų | 133.8 | 58% | 0.583 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 150.6 | 176.4 | -56.3 | 69.2 | 0 | 0 | 0 | 111.6 | ||
| 4 | T | 94.9 | Very high | 92.5 | Very high | 106 Ų | 106 | 129.1 Ų | 129.1 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 151.3 | 173.1 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | R9 | T4-R9 WeakPolarHBondContact O-CD 3.42Å; T4-R9 PolarHBondContact O-NH1 3.17Å |
| 5 | K | 93.8 | Very high | 92.8 | Very high | 208 Ų | 208 | 121.2 Ų | 121.2 | 90% | 0.904 | 60% | 0.596 | S | S | * | * | trans | -102.9 | 21.4 | -175.7 | -65.2 | 179.7 | -177.8 | 171.2 | 0 | 113.9 | ||||
| 6 | G | 95.6 | Very high | 92.9 | Very high | 39 Ų | 39 | 117 Ų | 117 | 40% | 0.402 | 59% | 0.587 | S | S | . | * | trans | -62.4 | 146.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R8 R9 | G6-R8 VanDerWaalsContact C-N 3.26Å; G6-R8 PolarHBondContact O-N 3.29Å; G6-R9 WeakPolarHBondContact O-CB 3.41Å; G6-R9 PolarHBondContact O-N 3.19Å; G6-R9 VanDerWaalsContact O-N 3.15Å | ||
| 7 | Y | 95 | Very high | 93 | Very high | 193 Ų | 193 | 113.4 Ų | 113.4 | 76% | 0.757 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -37.5 | -178.4 | -86.2 | -85.3 | 0 | 0 | 0 | 113.8 | Y54 | Y7-Y54 HydrophobicContact CD1-CD2 4.03Å; Y7-Y54 HydrophobicContact CD1-CE2 4.37Å; Y7-Y54 WeakPolarHBondContact O-CD2 3.28Å; Y7-Y54 WeakPolarHBondContact O-CE2 3.5Å |
| 8 | R | 94.9 | Very high | 93.2 | Very high | 124 Ų | 124 | 111 Ų | 111 | 47% | 0.468 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.1 | 20.2 | -178.4 | -60.9 | -174.9 | 76.8 | 178.7 | 4.1 | 113.4 | G6 G10 T11 | G6-R8 VanDerWaalsContact C-N 3.26Å; G6-R8 PolarHBondContact O-N 3.29Å; R8-G10 PolarHBondContact O-N 3.35Å; R8-T11 PolarHBondContact O-N 3.32Å; R8-T11 PolarHBondContact O-OG1 3.46Å |
| 9 | R | 95.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 113.8 Ų | 113.8 | 39% | 0.389 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61 | 128.5 | 175.7 | -174.8 | -165.9 | 118.7 | -160.4 | 2.9 | 110.3 | T4 G6 K55 | T4-R9 WeakPolarHBondContact O-CD 3.42Å; T4-R9 PolarHBondContact O-NH1 3.17Å; G6-R9 WeakPolarHBondContact O-CB 3.41Å; G6-R9 PolarHBondContact O-N 3.19Å; G6-R9 VanDerWaalsContact O-N 3.15Å; R9-K55 WeakPolarHBondContact O-CD 3.46Å; R9-K55 PolarHBondContact O-NZ 3.45Å |
| 10 | G | 95.2 | Very high | 93.5 | Very high | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.6 | 26.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R8 | R8-G10 PolarHBondContact O-N 3.35Š|
| 11 | T | 96.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 119.7 Ų | 119.7 | 8% | 0.08 | 58% | 0.58 | C | S | . | * | trans | -106.8 | 19.8 | 179.5 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | R8 Y13 L14 F15 K55 | R8-T11 PolarHBondContact O-N 3.32Å; R8-T11 PolarHBondContact O-OG1 3.46Å; T11-Y13 PolarHBondContact O-N 3.48Å; T11-L14 HydrophobicContact CG2-CD2 4.38Å; T11-L14 PolarHBondContact O-N 3.03Å; T11-F15 HydrophobicContact CG2-CD2 3.86Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.46Å; T11-F15 PolarHBondContact O-N 3.36Å; T11-F15 VanDerWaalsContact O-N 3.16Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; T11-K55 HydrophobicContact CG2-CB 3.65Å; T11-K55 HydrophobicContact CG2-CD 3.84Å; T11-K55 HydrophobicContact CG2-CG 4.37Å | ||
| 12 | R | 95 | Very high | 94.8 | Very high | 198 Ų | 198 | 114.4 Ų | 114.4 | 75% | 0.747 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -54.3 | -176 | -170.6 | -176.2 | -162.6 | -176.1 | 7.8 | 111.7 | A16 | R12-A16 WeakPolarHBondContact O-CB 3.12Š|
| 13 | Y | 96.2 | Very high | 95 | Very high | 183 Ų | 183 | 110.1 Ų | 110.1 | 72% | 0.718 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -28.1 | 178.9 | -54.7 | -68.7 | 0 | 0 | 0 | 112.9 | T11 F15 A16 | T11-Y13 PolarHBondContact O-N 3.48Å; Y13-F15 PolarHBondContact O-N 2.95Å; Y13-A16 WeakPolarHBondContact O-CB 3.43Å; Y13-A16 PolarHBondContact O-N 3.22Å |
| 14 | L | 95.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 111.8 Ų | 111.8 | 36% | 0.356 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | -34.1 | -174.2 | -174 | 141.3 | 0 | 0 | 0 | 113.3 | T11 K55 H58 | T11-L14 HydrophobicContact CG2-CD2 4.38Å; T11-L14 PolarHBondContact O-N 3.03Å; L14-K55 HydrophobicContact CD2-CB 4.29Å; L14-H58 HydrophobicContact CD1-CB 4.39Å; L14-H58 HydrophobicContact CD2-CB 3.84Å; L14-H58 HydrophobicContact CG-CB 4.37Å; L14-H58 PolarHBondContact O-CE1 3.33Å; L14-H58 VanDerWaalsContact O-CE1 3.26Å |
| 15 | F | 96 | Very high | 95 | Very high | 11 Ų | 11 | 108.1 Ų | 108.1 | 5% | 0.048 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 6.8 | 174.4 | -65.6 | -39.2 | 0 | 0 | 0 | 113.2 | T11 Y13 G46 M52 P53 K55 H58 | T11-F15 HydrophobicContact CG2-CD2 3.86Å; T11-F15 HydrophobicContact CG2-CE2 3.64Å; T11-F15 HydrophobicContact CG2-CZ 4.46Å; T11-F15 PolarHBondContact O-N 3.36Å; T11-F15 VanDerWaalsContact O-N 3.16Å; T11-F15 WeakPolarHBondContact OG1-CD2 3.47Å; Y13-F15 PolarHBondContact O-N 2.95Å; F15-G46 WeakPolarHBondContact O-CA 3.5Å; F15-G46 PolarHBondContact O-N 3.43Å; F15-M52 HydrophobicContact CB-CE 3.76Å; F15-M52 HydrophobicContact CD1-CE 3.43Å; F15-M52 VanDerWaalsContact CD1-CE 3.43Å; F15-M52 HydrophobicContact CD1-SD 4.46Å; F15-M52 HydrophobicContact CD2-CE 3.77Å; F15-M52 HydrophobicContact CD2-SD 4.04Å; F15-M52 HydrophobicContact CE1-CE 3.88Å; F15-M52 HydrophobicContact CE1-SD 4.48Å; F15-M52 HydrophobicContact CE2-CE 4.18Å; F15-M52 HydrophobicContact CE2-SD 4.05Å; F15-M52 HydrophobicContact CG-CE 3.38Å; F15-M52 HydrophobicContact CG-SD 4.26Å; F15-M52 HydrophobicContact CZ-CE 4.24Å; F15-M52 HydrophobicContact CZ-SD 4.28Å; F15-P53 WeakPolarHBondContact CZ-O 3.04Å; F15-K55 HydrophobicContact CZ-CB 4.3Å; F15-H58 AromaticContact CE1-ND1 3.78Å |
| 16 | A | 95.3 | Very high | 95.1 | Very high | 54 Ų | 54 | 101.6 Ų | 101.6 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | R12 Y13 | R12-A16 WeakPolarHBondContact O-CB 3.12Å; Y13-A16 WeakPolarHBondContact O-CB 3.43Å; Y13-A16 PolarHBondContact O-N 3.22Å |
| 17 | R | 94.9 | Very high | 95.1 | Very high | 55 Ų | 55 | 105.7 Ų | 105.7 | 21% | 0.208 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 144 | 167.7 | -70.1 | -64.9 | -62.7 | -174.5 | -11.9 | 109.4 | K21 E25 N45 | R17-K21 VanDerWaalsContact CZ-O 3.22Å; R17-K21 PolarHBondContact NE-O 3.4Å; R17-K21 PolarHBondContact NH2-O 3Å; R17-E25 IonicContact CZ-OE2 3.59Å; R17-E25 IonicContact NH1-OE2 3.89Å; R17-E25 PolarHBondContact NH1-OE2 3.12Å; R17-E25 IonicContact NH2-OE2 3.35Å; R17-E25 PolarHBondContact NH2-OE2 3.38Å; R17-N45 WeakPolarHBondContact CD-OD1 3.48Å; R17-N45 PolarHBondContact NH1-ND2 3.31Å; R17-N45 PolarHBondContact NH1-OD1 2.84Å |
| 18 | P | 95.8 | Very high | 95.2 | Very high | 71 Ų | 71 | 100.9 Ų | 100.9 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.8 | 172.9 | -18.2 | 30.3 | 0 | 0 | 0 | 111.6 | R20 K21 | P18-R20 PolarHBondContact O-N 3.38Å; P18-K21 HydrophobicContact CB-CB 4.16Å; P18-K21 HydrophobicContact CB-CD 4.32Å; P18-K21 HydrophobicContact CB-CG 4.37Å; P18-K21 HydrophobicContact CG-CB 4.42Å; P18-K21 PolarHBondContact O-N 3.33Å |
| 19 | F | 96.3 | Very high | 95.2 | Very high | 164 Ų | 164 | 95.8 Ų | 95.8 | 72% | 0.719 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.1 | 176.5 | -176.6 | -116.2 | 0 | 0 | 0 | 111.6 | K21 | F19-K21 PolarHBondContact O-N 3.05Å; F19-K21 VanDerWaalsContact O-N 3.1Å |
| 20 | R | 95.3 | Very high | 95.1 | Very high | 213 Ų | 213 | 95 Ų | 95 | 80% | 0.804 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 24 | -177 | -62.2 | 177.9 | -179.5 | 179.1 | 1.4 | 114.7 | P18 | P18-R20 PolarHBondContact O-N 3.38Š|
| 21 | K | 94.5 | Very high | 95.1 | Very high | 139 Ų | 139 | 98 Ų | 98 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | trans | -123.6 | 33.7 | 173.2 | -61.6 | -162 | 176.1 | -170.2 | 0 | 112.2 | R17 P18 F19 | R17-K21 VanDerWaalsContact CZ-O 3.22Å; R17-K21 PolarHBondContact NE-O 3.4Å; R17-K21 PolarHBondContact NH2-O 3Å; P18-K21 HydrophobicContact CB-CB 4.16Å; P18-K21 HydrophobicContact CB-CD 4.32Å; P18-K21 HydrophobicContact CB-CG 4.37Å; P18-K21 HydrophobicContact CG-CB 4.42Å; P18-K21 PolarHBondContact O-N 3.33Å; F19-K21 PolarHBondContact O-N 3.05Å; F19-K21 VanDerWaalsContact O-N 3.1Å | ||
| 22 | H | 93.9 | Very high | 95.1 | Very high | 132 Ų | 132 | 102.8 Ų | 102.8 | 61% | 0.611 | 51% | 0.506 | S | S | * | . | trans | -82.3 | 166 | 172.5 | -59.8 | -90.8 | 0 | 0 | 0 | 110.5 | ||||
| 23 | G | 92.8 | Very high | 95.1 | Very high | 57 Ų | 57 | 99 Ų | 99 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 91.4 | -148.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 24 | T | 94.2 | Very high | 95.1 | Very high | 143 Ų | 143 | 91.2 Ų | 91.2 | 88% | 0.877 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 134 | -171.5 | -25.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 25 | E | 93.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 94.8 Ų | 94.8 | 14% | 0.14 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 141.1 | 175.4 | -164.2 | 68.3 | -149.1 | 0 | 0 | 109.9 | R17 T29 F30 N45 F48 | R17-E25 IonicContact CZ-OE2 3.59Å; R17-E25 IonicContact NH1-OE2 3.89Å; R17-E25 PolarHBondContact NH1-OE2 3.12Å; R17-E25 IonicContact NH2-OE2 3.35Å; R17-E25 PolarHBondContact NH2-OE2 3.38Å; E25-T29 HydrophobicContact CG-CG2 4.29Å; E25-F30 HydrophobicContact CB-CE2 4.23Å; E25-F30 HydrophobicContact CB-CZ 4.46Å; E25-N45 PolarHBondContact OE2-ND2 3Å; E25-F48 HydrophobicContact CB-CE2 3.87Å; E25-F48 HydrophobicContact CB-CZ 4.05Å; E25-F48 HydrophobicContact CG-CE2 4.36Å |
| 26 | P | 95.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 100.8 Ų | 100.8 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 141.2 | 176.8 | 23.3 | -36 | 0 | 0 | 0 | 112.3 | T28 T29 | P26-T28 PolarHBondContact O-N 2.91Å; P26-T28 VanDerWaalsContact O-N 3.08Å; P26-T29 WeakPolarHBondContact O-CB 3.23Å; P26-T29 PolarHBondContact O-N 3.01Å; P26-T29 PolarHBondContact O-OG1 3.2Å |
| 27 | L | 95.9 | Very high | 95.2 | Very high | 125 Ų | 125 | 100.3 Ų | 100.3 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -57 | -26.7 | -178.9 | -68.6 | 174.3 | 0 | 0 | 0 | 113.5 | T29 F30 L31 | L27-T29 PolarHBondContact O-N 3.29Å; L27-T29 VanDerWaalsContact O-N 3.08Å; L27-F30 PolarHBondContact O-N 3.03Å; L27-L31 HydrophobicContact CB-CD1 4.26Å; L27-L31 WeakPolarHBondContact O-CG 3.5Å; L27-L31 PolarHBondContact O-N 3.09Å |
| 28 | T | 95.4 | Very high | 95.2 | Very high | 93 Ų | 93 | 100.7 Ų | 100.7 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -57.3 | -24.1 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 113.4 | P26 R32 | P26-T28 PolarHBondContact O-N 2.91Å; P26-T28 VanDerWaalsContact O-N 3.08Å; T28-R32 WeakPolarHBondContact O-CD 3.28Å; T28-R32 WeakPolarHBondContact O-CG 3.49Å |
| 29 | T | 94.9 | Very high | 95.3 | Very high | 16 Ų | 16 | 99 Ų | 99 | 10% | 0.098 | 51% | 0.51 | C | S | . | . | G | 310 helix | trans | -69.6 | -38.9 | 175.6 | -52.8 | 0 | 0 | 0 | 0 | 111.6 | E25 P26 L27 | E25-T29 HydrophobicContact CG-CG2 4.29Å; P26-T29 WeakPolarHBondContact O-CB 3.23Å; P26-T29 PolarHBondContact O-N 3.01Å; P26-T29 PolarHBondContact O-OG1 3.2Å; L27-T29 PolarHBondContact O-N 3.29Å; L27-T29 VanDerWaalsContact O-N 3.08Å |
| 30 | F | 95.2 | Very high | 95.3 | Very high | 86 Ų | 86 | 91.2 Ų | 91.2 | 38% | 0.377 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -35.2 | -176.6 | -57.1 | -77.9 | 0 | 0 | 0 | 112.5 | E25 L27 R32 F48 V93 E94 | E25-F30 HydrophobicContact CB-CE2 4.23Å; E25-F30 HydrophobicContact CB-CZ 4.46Å; L27-F30 PolarHBondContact O-N 3.03Å; F30-R32 PolarHBondContact O-N 3.35Å; F30-F48 HydrophobicContact CE1-CZ 4.46Å; F30-F48 HydrophobicContact CZ-CE1 4.14Å; F30-F48 HydrophobicContact CZ-CE2 4.48Å; F30-F48 AromaticContact CZ-CZ 3.73Å; F30-F48 HydrophobicContact CZ-CZ 3.73Å; F30-V93 HydrophobicContact CD1-CG2 4.38Å; F30-E94 HydrophobicContact CD1-CG 4.29Å; F30-E94 HydrophobicContact CE1-CG 3.45Å; F30-E94 VanDerWaalsContact CE1-CG 3.45Å; F30-E94 HydrophobicContact CZ-CG 3.97Å |
| 31 | L | 95.8 | Very high | 95.4 | Very high | 136 Ų | 136 | 83.2 Ų | 83.2 | 71% | 0.712 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -78.2 | -1.7 | -178.7 | -63.5 | 174.5 | 0 | 0 | 0 | 113.7 | L27 V33 | L27-L31 HydrophobicContact CB-CD1 4.26Å; L27-L31 WeakPolarHBondContact O-CG 3.5Å; L27-L31 PolarHBondContact O-N 3.09Å; L31-V33 PolarHBondContact O-N 3.01Å |
| 32 | R | 94.5 | Very high | 95.6 | Very high | 114 Ų | 114 | 76.7 Ų | 76.7 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | trans | -71.6 | 124.2 | 177.8 | -97.2 | 169.1 | 169.4 | 178.3 | -4.4 | 111.2 | T28 F30 Y34 | T28-R32 WeakPolarHBondContact O-CD 3.28Å; T28-R32 WeakPolarHBondContact O-CG 3.49Å; F30-R32 PolarHBondContact O-N 3.35Å; R32-Y34 HydrophobicContact CB-CE2 3.94Å; R32-Y34 WeakPolarHBondContact O-CD2 3.38Å | ||
| 33 | V | 95.5 | Very high | 95.7 | Very high | 119 Ų | 119 | 76 Ų | 76 | 72% | 0.721 | 42% | 0.416 | S | S | * | . | trans | -82.1 | 129.2 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | L31 K35 | L31-V33 PolarHBondContact O-N 3.01Å; V33-K35 HydrophobicContact CG1-CG 4.49Å | ||
| 34 | Y | 96.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 8% | 0.078 | 39% | 0.391 | C | S | . | . | trans | -118 | 135.6 | 172 | -64.8 | -82.9 | 0 | 0 | 0 | 109.1 | R32 V40 L72 V93 V96 P98 | R32-Y34 HydrophobicContact CB-CE2 3.94Å; R32-Y34 WeakPolarHBondContact O-CD2 3.38Å; Y34-V40 HydrophobicContact CD1-CG1 3.78Å; Y34-V40 HydrophobicContact CE1-CG1 3.81Å; Y34-L72 HydrophobicContact CD1-CD1 3.93Å; Y34-L72 HydrophobicContact CD2-CD1 3.63Å; Y34-L72 HydrophobicContact CD2-CD2 4.41Å; Y34-L72 HydrophobicContact CE1-CD1 4.32Å; Y34-L72 HydrophobicContact CE2-CD1 4.03Å; Y34-L72 HydrophobicContact CG-CD1 3.55Å; Y34-L72 HydrophobicContact CG-CD2 4.24Å; Y34-V93 HydrophobicContact CD2-CG1 4.35Å; Y34-V93 HydrophobicContact CE2-CG1 4.26Å; Y34-V96 HydrophobicContact CE1-CG1 3.98Å; Y34-V96 PolarHBondContact OH-O 3.12Å; Y34-P98 HydrophobicContact CE1-CB 4.48Å | ||
| 35 | K | 96.1 | Very high | 95.9 | Very high | 142 Ų | 142 | 67.3 Ų | 67.3 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | trans | -112.5 | 160.4 | 177.2 | -62.1 | -177 | -178.3 | -176.2 | 0 | 110.4 | V33 G37 D38 | V33-K35 HydrophobicContact CG1-CG 4.49Å; K35-G37 PolarHBondContact O-N 3Å; K35-D38 PolarHBondContact N-OD2 3.32Å; K35-D38 WeakPolarHBondContact O-CB 3.5Å; K35-D38 PolarHBondContact O-N 3.38Å | ||
| 36 | M | 96.9 | Very high | 95.9 | Very high | 137 Ų | 137 | 67.1 Ų | 67.1 | 68% | 0.675 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 133.2 | 172.6 | -161 | -179.5 | -68.5 | 0 | 0 | 109.6 | ||
| 37 | G | 95.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -8.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K35 V64 | K35-G37 PolarHBondContact O-N 3Å; G37-V64 PolarHBondContact N-O 2.89Å |
| 38 | D | 96.4 | Very high | 95.9 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 34% | 0.337 | 34% | 0.339 | S | S | . | . | trans | -63.5 | 145.2 | 176.3 | -75.9 | -17.5 | 0 | 0 | 0 | 111.7 | K35 R63 V64 | K35-D38 PolarHBondContact N-OD2 3.32Å; K35-D38 WeakPolarHBondContact O-CB 3.5Å; K35-D38 PolarHBondContact O-N 3.38Å; D38-R63 WeakPolarHBondContact O-CA 3.44Å; D38-V64 HydrophobicContact CB-CG2 4.36Å; D38-V64 PolarHBondContact O-N 2.84Å | ||
| 39 | I | 97 | Very high | 95.8 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.4 | 176.1 | -58.5 | -177.2 | 0 | 0 | 0 | 108.7 | T61 G62 R63 S99 R102 | I39-T61 HydrophobicContact CG2-CG2 3.34Å; I39-G62 WeakPolarHBondContact CA-O 3.41Å; I39-R63 HydrophobicContact CG1-CG 4.25Å; I39-S99 PolarHBondContact O-N 2.9Å; I39-R102 HydrophobicContact CB-CB 4.47Å; I39-R102 HydrophobicContact CD1-CB 4.25Å; I39-R102 HydrophobicContact CD1-CG 4.32Å |
| 40 | V | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 142.4 | -173.9 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | Y34 T61 G62 V64 V74 V96 K97 | Y34-V40 HydrophobicContact CD1-CG1 3.78Å; Y34-V40 HydrophobicContact CE1-CG1 3.81Å; V40-T61 CarbonylContact O-C 3.53Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.28Å; V40-T61 WeakPolarHBondContact O-CG2 3.37Å; V40-G62 PolarHBondContact N-O 3.45Å; V40-G62 PolarHBondContact O-N 2.7Å; V40-V64 HydrophobicContact CG1-CG2 3.73Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V40-V74 HydrophobicContact CG2-CB 4.49Å; V40-V74 HydrophobicContact CG2-CG1 3.76Å; V40-V74 HydrophobicContact CG2-CG2 3.82Å; V40-V96 HydrophobicContact CB-CG1 3.46Å; V40-V96 VanDerWaalsContact CB-CG1 3.46Å; V40-V96 HydrophobicContact CG1-CG1 3.76Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; V40-K97 CarbonylContact C-O 3.46Å; V40-K97 WeakPolarHBondContact CA-O 3.36Å |
| 41 | D | 97.3 | Very high | 96 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 133.6 | 174.3 | -62.1 | -39.2 | 0 | 0 | 0 | 109.7 | T61 K97 S99 | D41-T61 WeakPolarHBondContact OD1-CB 3.17Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.44Å; D41-T61 PolarHBondContact OD1-OG1 3.4Å; D41-K97 PolarHBondContact N-O 2.92Å; D41-K97 PolarHBondContact O-N 2.89Å; D41-S99 PolarHBondContact OD1-OG 3.42Å; D41-S99 WeakPolarHBondContact OD2-CA 3.39Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 2.81Å |
| 42 | I | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 118.8 | -178.3 | -61 | 165.1 | 0 | 0 | 0 | 109 | P53 Y57 G59 K60 V74 V76 I91 | I42-P53 HydrophobicContact CG2-CB 3.73Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; I42-Y57 WeakPolarHBondContact CB-O 3.26Å; I42-Y57 WeakPolarHBondContact CG2-O 3.45Å; I42-G59 WeakPolarHBondContact O-CA 3.2Å; I42-G59 PolarHBondContact O-N 3.02Å; I42-K60 WeakPolarHBondContact CB-O 3.29Å; I42-K60 PolarHBondContact N-O 3.02Å; I42-V74 HydrophobicContact CD1-CG1 4.27Å; I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; I42-I91 HydrophobicContact CD1-CD1 3.51Å; I42-I91 HydrophobicContact CG1-CD1 3.76Å; I42-I91 HydrophobicContact CG2-CD1 4Å |
| 43 | K | 96.5 | Very high | 96.1 | Very high | 118 Ų | 118 | 57.9 Ų | 57.9 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | trans | -136.7 | 101.9 | 173.5 | -175 | 165.4 | -175 | 164.2 | 0 | 109.8 | N45 H95 | K43-N45 PolarHBondContact O-N 3.43Å; K43-H95 CarbonylContact C-O 3.53Å; K43-H95 PolarHBondContact N-O 3.36Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.31Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å | ||
| 44 | G | 95.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | trans | -59.6 | 131.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | H58 | G44-H58 PolarHBondContact N-ND1 3.32Š| ||
| 45 | N | 95.3 | Very high | 96.1 | Very high | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | trans | -106 | 115.4 | 179.6 | -177 | -4.1 | 0 | 0 | 0 | 108.6 | R17 E25 K43 A47 F48 H95 | R17-N45 WeakPolarHBondContact CD-OD1 3.48Å; R17-N45 PolarHBondContact NH1-ND2 3.31Å; R17-N45 PolarHBondContact NH1-OD1 2.84Å; E25-N45 PolarHBondContact OE2-ND2 3Å; K43-N45 PolarHBondContact O-N 3.43Å; N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 VanDerWaalsContact O-N 3.17Å; N45-A47 PolarHBondContact OD1-N 2.8Å; N45-F48 HydrophobicContact CB-CD2 4.38Å; N45-F48 WeakPolarHBondContact ND2-CD2 3.35Å; N45-F48 PolarHBondContact O-N 3.28Å; N45-H95 PolarHBondContact N-ND1 2.79Å; N45-H95 PolarHBondContact O-CE1 2.9Å | ||
| 46 | G | 94.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F15 F48 | F15-G46 WeakPolarHBondContact O-CA 3.5Å; F15-G46 PolarHBondContact O-N 3.43Å; G46-F48 VanDerWaalsContact C-N 3.3Å |
| 47 | A | 95.1 | Very high | 96.2 | Very high | 54 Ų | 54 | 49.2 Ų | 49.2 | 45% | 0.446 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -28.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N45 | N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 VanDerWaalsContact O-N 3.17Å; N45-A47 PolarHBondContact OD1-N 2.8Å |
| 48 | F | 95.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | trans | -110.6 | 117.6 | 178.3 | -57.3 | -86.3 | 0 | 0 | 0 | 109.3 | E25 F30 N45 G46 E94 H95 | E25-F48 HydrophobicContact CB-CE2 3.87Å; E25-F48 HydrophobicContact CB-CZ 4.05Å; E25-F48 HydrophobicContact CG-CE2 4.36Å; F30-F48 HydrophobicContact CE1-CZ 4.46Å; F30-F48 HydrophobicContact CZ-CE1 4.14Å; F30-F48 HydrophobicContact CZ-CE2 4.48Å; F30-F48 AromaticContact CZ-CZ 3.73Å; F30-F48 HydrophobicContact CZ-CZ 3.73Å; N45-F48 HydrophobicContact CB-CD2 4.38Å; N45-F48 WeakPolarHBondContact ND2-CD2 3.35Å; N45-F48 PolarHBondContact O-N 3.28Å; G46-F48 VanDerWaalsContact C-N 3.3Å; F48-E94 HydrophobicContact CB-CB 4.38Å; F48-E94 HydrophobicContact CB-CG 4.5Å; F48-E94 HydrophobicContact CD1-CG 4Å; F48-E94 HydrophobicContact CD2-CB 3.59Å; F48-E94 HydrophobicContact CD2-CG 3.71Å; F48-E94 HydrophobicContact CE1-CG 4.13Å; F48-E94 HydrophobicContact CE2-CB 4.01Å; F48-E94 HydrophobicContact CE2-CG 3.85Å; F48-E94 HydrophobicContact CG-CB 3.97Å; F48-E94 HydrophobicContact CG-CG 3.79Å; F48-E94 HydrophobicContact CZ-CG 4.07Å; F48-H95 PolarHBondContact O-CE1 3.26Å; F48-H95 PolarHBondContact O-NE2 2.95Å | ||
| 49 | T | 94.5 | Very high | 96.2 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | trans | -89.8 | -26.9 | -178.3 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 50 | K | 96.5 | Very high | 96.2 | Very high | 155 Ų | 155 | 51.4 Ų | 51.4 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 137.7 | -178.9 | -66.5 | -174.3 | 178.7 | -179.8 | 0 | 110.9 | M52 R92 H95 | K50-M52 PolarHBondContact O-N 3.24Å; K50-M52 VanDerWaalsContact O-N 3.16Å; K50-R92 WeakPolarHBondContact O-CD 3.48Å; K50-H95 PolarHBondContact O-NE2 3.49Å |
| 51 | G | 95.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 54.7 Ų | 54.7 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 24.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R92 H95 | G51-R92 PolarHBondContact O-N 3.44Å; G51-H95 PolarHBondContact O-CD2 3.12Å |
| 52 | M | 96.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 133.9 | 179.4 | -164.6 | -179.4 | -144.9 | 0 | 0 | 111 | F15 K50 H95 | F15-M52 HydrophobicContact CB-CE 3.76Å; F15-M52 HydrophobicContact CD1-CE 3.43Å; F15-M52 VanDerWaalsContact CD1-CE 3.43Å; F15-M52 HydrophobicContact CD1-SD 4.46Å; F15-M52 HydrophobicContact CD2-CE 3.77Å; F15-M52 HydrophobicContact CD2-SD 4.04Å; F15-M52 HydrophobicContact CE1-CE 3.88Å; F15-M52 HydrophobicContact CE1-SD 4.48Å; F15-M52 HydrophobicContact CE2-CE 4.18Å; F15-M52 HydrophobicContact CE2-SD 4.05Å; F15-M52 HydrophobicContact CG-CE 3.38Å; F15-M52 HydrophobicContact CG-SD 4.26Å; F15-M52 HydrophobicContact CZ-CE 4.24Å; F15-M52 HydrophobicContact CZ-SD 4.28Å; K50-M52 PolarHBondContact O-N 3.24Å; K50-M52 VanDerWaalsContact O-N 3.16Å; M52-H95 WeakPolarHBondContact CA-NE2 3.21Å |
| 53 | P | 97 | Very high | 96.2 | Very high | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 146.9 | 177.6 | 28.6 | -35 | 0 | 0 | 0 | 111.2 | F15 I42 I91 H95 | F15-P53 WeakPolarHBondContact CZ-O 3.04Å; I42-P53 HydrophobicContact CG2-CB 3.73Å; I42-P53 HydrophobicContact CG2-CG 3.65Å; P53-I91 HydrophobicContact CB-CD1 4.27Å; P53-H95 HydrophobicContact CG-CB 4.33Å |
| 54 | Y | 96.7 | Very high | 96.2 | Very high | 88 Ų | 88 | 54.7 Ų | 54.7 | 35% | 0.345 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 144.5 | 168.3 | 179 | -116.4 | 0 | 0 | 0 | 110.5 | Y7 Y56 Y57 | Y7-Y54 HydrophobicContact CD1-CD2 4.03Å; Y7-Y54 HydrophobicContact CD1-CE2 4.37Å; Y7-Y54 WeakPolarHBondContact O-CD2 3.28Å; Y7-Y54 WeakPolarHBondContact O-CE2 3.5Å; Y54-Y56 PolarHBondContact O-N 2.91Å; Y54-Y57 PolarHBondContact O-N 3.32Å |
| 55 | K | 96.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 24% | 0.239 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -50.9 | -31.4 | -172.6 | 70.7 | -176.2 | -177.7 | 177.3 | 0 | 114.9 | R9 T11 L14 F15 Y57 H58 | R9-K55 WeakPolarHBondContact O-CD 3.46Å; R9-K55 PolarHBondContact O-NZ 3.45Å; T11-K55 HydrophobicContact CG2-CB 3.65Å; T11-K55 HydrophobicContact CG2-CD 3.84Å; T11-K55 HydrophobicContact CG2-CG 4.37Å; L14-K55 HydrophobicContact CD2-CB 4.29Å; F15-K55 HydrophobicContact CZ-CB 4.3Å; K55-Y57 PolarHBondContact O-N 3.01Å; K55-H58 WeakPolarHBondContact O-CB 3.4Å; K55-H58 PolarHBondContact O-N 3.04Å |
| 56 | Y | 96.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 28% | 0.278 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -60.4 | -34 | 177.5 | 178.9 | -90 | 0 | 0 | 0 | 112.9 | Y54 H58 K78 R79 | Y54-Y56 PolarHBondContact O-N 2.91Å; Y56-H58 VanDerWaalsContact C-N 3.3Å; Y56-K78 HydrophobicContact CD1-CB 4.5Å; Y56-K78 HydrophobicContact CD1-CD 3.86Å; Y56-K78 HydrophobicContact CD1-CG 4.05Å; Y56-K78 HydrophobicContact CE1-CB 3.71Å; Y56-K78 HydrophobicContact CE1-CD 3.75Å; Y56-K78 HydrophobicContact CE1-CG 3.4Å; Y56-K78 VanDerWaalsContact CE1-CG 3.4Å; Y56-K78 HydrophobicContact CE2-CG 4.5Å; Y56-K78 HydrophobicContact CG-CD 4.49Å; Y56-R79 PolarHBondContact OH-N 3.1Å |
| 57 | Y | 97.2 | Very high | 96.5 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 9% | 0.09 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -85.1 | -5.1 | -177.7 | -55.2 | -63.3 | 0 | 0 | 0 | 112.8 | I42 Y54 K55 G59 K60 V76 K78 K87 I89 | I42-Y57 WeakPolarHBondContact CB-O 3.26Å; I42-Y57 WeakPolarHBondContact CG2-O 3.45Å; Y54-Y57 PolarHBondContact O-N 3.32Å; K55-Y57 PolarHBondContact O-N 3.01Å; Y57-G59 PolarHBondContact O-N 3.38Å; Y57-K60 WeakPolarHBondContact O-CB 3.35Å; Y57-K60 PolarHBondContact O-N 3.32Å; Y57-K60 VanDerWaalsContact O-N 3.1Å; Y57-V76 HydrophobicContact CD1-CB 4.21Å; Y57-V76 HydrophobicContact CD1-CG1 3.85Å; Y57-V76 HydrophobicContact CE1-CB 4.4Å; Y57-V76 HydrophobicContact CE1-CG1 4.3Å; Y57-K78 HydrophobicContact CE1-CB 4.27Å; Y57-K78 HydrophobicContact CE1-CD 4.15Å; Y57-K87 HydrophobicContact CE1-CB 4.43Å; Y57-I89 HydrophobicContact CD1-CD1 3.42Å; Y57-I89 VanDerWaalsContact CD1-CD1 3.42Å; Y57-I89 HydrophobicContact CD2-CD1 3.5Å; Y57-I89 HydrophobicContact CD2-CG1 4.43Å; Y57-I89 HydrophobicContact CE1-CD1 3.41Å; Y57-I89 VanDerWaalsContact CE1-CD1 3.41Å; Y57-I89 HydrophobicContact CE1-CG1 4.41Å; Y57-I89 HydrophobicContact CE2-CD1 3.46Å; Y57-I89 VanDerWaalsContact CE2-CD1 3.46Å; Y57-I89 HydrophobicContact CE2-CG1 4.04Å; Y57-I89 HydrophobicContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CZ-CD1 3.41Å |
| 58 | H | 96.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 61.9 Ų | 61.9 | 21% | 0.213 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 128.6 | 173.9 | -166.3 | 105.5 | 0 | 0 | 0 | 110 | L14 F15 G44 K55 Y56 K60 | L14-H58 HydrophobicContact CD1-CB 4.39Å; L14-H58 HydrophobicContact CD2-CB 3.84Å; L14-H58 HydrophobicContact CG-CB 4.37Å; L14-H58 PolarHBondContact O-CE1 3.33Å; L14-H58 VanDerWaalsContact O-CE1 3.26Å; F15-H58 AromaticContact CE1-ND1 3.78Å; G44-H58 PolarHBondContact N-ND1 3.32Å; K55-H58 WeakPolarHBondContact O-CB 3.4Å; K55-H58 PolarHBondContact O-N 3.04Å; Y56-H58 VanDerWaalsContact C-N 3.3Å; H58-K60 PolarHBondContact O-N 3.43Å |
| 59 | G | 96.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 12.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I42 Y57 | I42-G59 WeakPolarHBondContact O-CA 3.2Å; I42-G59 PolarHBondContact O-N 3.02Å; Y57-G59 PolarHBondContact O-N 3.38Å |
| 60 | K | 96.8 | Very high | 96.6 | Very high | 83 Ų | 83 | 66.2 Ų | 66.2 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | trans | -93 | 146.5 | 172.8 | -59.1 | -58.4 | -178.7 | -175.2 | 0 | 110.6 | I42 Y57 H58 V76 | I42-K60 WeakPolarHBondContact CB-O 3.29Å; I42-K60 PolarHBondContact N-O 3.02Å; Y57-K60 WeakPolarHBondContact O-CB 3.35Å; Y57-K60 PolarHBondContact O-N 3.32Å; Y57-K60 VanDerWaalsContact O-N 3.1Å; H58-K60 PolarHBondContact O-N 3.43Å; K60-V76 HydrophobicContact CB-CG1 3.78Å; K60-V76 HydrophobicContact CG-CG1 4.36Å | ||
| 61 | T | 97.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 59.2 Ų | 59.2 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 143.6 | 174 | -49.8 | 0 | 0 | 0 | 0 | 109.2 | I39 V40 D41 | I39-T61 HydrophobicContact CG2-CG2 3.34Å; V40-T61 CarbonylContact O-C 3.53Å; V40-T61 VanDerWaalsContact O-CA 3.29Å; V40-T61 WeakPolarHBondContact O-CA 3.28Å; V40-T61 WeakPolarHBondContact O-CG2 3.37Å; D41-T61 WeakPolarHBondContact OD1-CB 3.17Å; D41-T61 WeakPolarHBondContact OD1-CG2 3.44Å; D41-T61 PolarHBondContact OD1-OG1 3.4Å |
| 62 | G | 96.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I39 V40 L75 | I39-G62 WeakPolarHBondContact CA-O 3.41Å; V40-G62 PolarHBondContact N-O 3.45Å; V40-G62 PolarHBondContact O-N 2.7Å; G62-L75 CarbonylContact C-O 3.43Å; G62-L75 WeakPolarHBondContact CA-O 3.49Å |
| 63 | R | 97.4 | Very high | 96.7 | Very high | 152 Ų | 152 | 55.8 Ų | 55.8 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 138.6 | 174.5 | -80.4 | -178.6 | 169.9 | 176.3 | -2.5 | 110.8 | D38 I39 F65 V74 L75 | D38-R63 WeakPolarHBondContact O-CA 3.44Å; I39-R63 HydrophobicContact CG1-CG 4.25Å; R63-F65 PolarHBondContact O-N 3.45Å; R63-V74 CarbonylContact O-C 3.51Å; R63-V74 WeakPolarHBondContact O-CA 3.33Å; R63-L75 PolarHBondContact N-O 3.27Å; R63-L75 PolarHBondContact O-N 3.34Å |
| 64 | V | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 125.3 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | G37 D38 V40 N66 V67 L72 G73 | G37-V64 PolarHBondContact N-O 2.89Å; D38-V64 HydrophobicContact CB-CG2 4.36Å; D38-V64 PolarHBondContact O-N 2.84Å; V40-V64 HydrophobicContact CG1-CG2 3.73Å; V40-V64 HydrophobicContact CG2-CG2 3.94Å; V64-N66 WeakPolarHBondContact CG1-O 3.34Å; V64-V67 HydrophobicContact CG1-CG2 3.92Å; V64-L72 HydrophobicContact CG1-CD2 4.28Å; V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.41Å |
| 65 | F | 97.3 | Very high | 96.8 | Very high | 52 Ų | 52 | 53 Ų | 53 | 23% | 0.228 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -24.8 | 175.3 | 80.7 | -91.2 | 0 | 0 | 0 | 113.1 | R63 G73 L75 R88 | R63-F65 PolarHBondContact O-N 3.45Å; F65-G73 WeakPolarHBondContact CD1-O 3.38Å; F65-G73 PolarHBondContact N-O 2.87Å; F65-L75 HydrophobicContact CB-CD1 3.63Å; F65-L75 HydrophobicContact CB-CG 3.91Å; F65-L75 HydrophobicContact CD1-CD2 4.39Å; F65-L75 HydrophobicContact CD1-CG 3.83Å; F65-L75 HydrophobicContact CG-CD1 4.36Å; F65-L75 HydrophobicContact CG-CG 4.15Å; F65-R88 HydrophobicContact CD1-CG 4.46Å; F65-R88 HydrophobicContact CE1-CB 3.88Å; F65-R88 HydrophobicContact CE1-CG 4.03Å; F65-R88 HydrophobicContact CZ-CB 4.04Å; F65-R88 HydrophobicContact CZ-CG 4.23Å |
| 66 | N | 97.5 | Very high | 96.8 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.3 | 179.9 | -171.1 | 24.9 | 0 | 0 | 0 | 110.1 | V64 G73 | V64-N66 WeakPolarHBondContact CG1-O 3.34Å; N66-G73 PolarHBondContact N-O 3.42Å; N66-G73 PolarHBondContact O-N 3.06Å |
| 67 | V | 96.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 52.1 Ų | 52.1 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.7 | 177.8 | -178 | 0 | 0 | 0 | 0 | 108 | V64 L72 | V64-V67 HydrophobicContact CG1-CG2 3.92Å; V67-L72 HydrophobicContact CB-CD2 4.39Å; V67-L72 HydrophobicContact CG1-CD2 4.08Å; V67-L72 HydrophobicContact CG2-CD2 4.05Å |
| 68 | T | 96.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 168.8 | 177.3 | 69.9 | 0 | 0 | 0 | 0 | 109.7 | H70 G71 | T68-H70 PolarHBondContact O-N 2.61Å; T68-G71 PolarHBondContact N-O 2.85Å; T68-G71 PolarHBondContact O-N 3.14Å; T68-G71 WeakPolarHBondContact OG1-CA 3.33Å; T68-G71 PolarHBondContact OG1-N 2.9Å; T68-G71 PolarHBondContact OG1-O 3.27Å; T68-G71 VanDerWaalsContact OG1-O 3.07Å |
| 69 | P | 95.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 82% | 0.818 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -30.4 | -174.3 | -29.6 | 36.3 | 0 | 0 | 0 | 115.3 | ||
| 70 | H | 94.8 | Very high | 96.9 | Very high | 120 Ų | 120 | 59.4 Ų | 59.4 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | 5.5 | -177.7 | -55.8 | -49.1 | 0 | 0 | 0 | 113.8 | T68 V93 | T68-H70 PolarHBondContact O-N 2.61Å; H70-V93 PolarHBondContact O-N 3.29Å |
| 71 | G | 95 | Very high | 96.8 | Very high | 7 Ų | 7 | 66.1 Ų | 66.1 | 7% | 0.072 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 174 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | T68 I91 | T68-G71 PolarHBondContact N-O 2.85Å; T68-G71 PolarHBondContact O-N 3.14Å; T68-G71 WeakPolarHBondContact OG1-CA 3.33Å; T68-G71 PolarHBondContact OG1-N 2.9Å; T68-G71 PolarHBondContact OG1-O 3.27Å; T68-G71 VanDerWaalsContact OG1-O 3.07Å; G71-I91 CarbonylContact C-O 3.56Å; G71-I91 VanDerWaalsContact CA-O 3.3Å; G71-I91 WeakPolarHBondContact CA-O 3.47Å |
| 72 | L | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.7 | -175.1 | -59.8 | 172.9 | 0 | 0 | 0 | 108.8 | Y34 V64 V67 V74 I91 V93 V96 | Y34-L72 HydrophobicContact CD1-CD1 3.93Å; Y34-L72 HydrophobicContact CD2-CD1 3.63Å; Y34-L72 HydrophobicContact CD2-CD2 4.41Å; Y34-L72 HydrophobicContact CE1-CD1 4.32Å; Y34-L72 HydrophobicContact CE2-CD1 4.03Å; Y34-L72 HydrophobicContact CG-CD1 3.55Å; Y34-L72 HydrophobicContact CG-CD2 4.24Å; V64-L72 HydrophobicContact CG1-CD2 4.28Å; V67-L72 HydrophobicContact CB-CD2 4.39Å; V67-L72 HydrophobicContact CG1-CD2 4.08Å; V67-L72 HydrophobicContact CG2-CD2 4.05Å; L72-V74 HydrophobicContact CB-CG2 4.22Å; L72-I91 PolarHBondContact N-O 3.03Å; L72-I91 PolarHBondContact O-N 2.76Å; L72-V93 HydrophobicContact CD1-CG1 4.48Å; L72-V93 HydrophobicContact CG-CG1 4.39Å; L72-V96 HydrophobicContact CD1-CB 4.18Å; L72-V96 HydrophobicContact CD1-CG1 3.88Å; L72-V96 HydrophobicContact CD1-CG2 4.27Å |
| 73 | G | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 117.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V64 F65 N66 I89 | V64-G73 CarbonylContact C-O 3.56Å; V64-G73 WeakPolarHBondContact CA-O 3.41Å; F65-G73 WeakPolarHBondContact CD1-O 3.38Å; F65-G73 PolarHBondContact N-O 2.87Å; N66-G73 PolarHBondContact N-O 3.42Å; N66-G73 PolarHBondContact O-N 3.06Å; G73-I89 CarbonylContact C-O 3.55Å; G73-I89 WeakPolarHBondContact CA-O 3.22Å |
| 74 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.4 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 110.2 | V40 I42 R63 L72 V76 I89 I91 | V40-V74 HydrophobicContact CG2-CB 4.49Å; V40-V74 HydrophobicContact CG2-CG1 3.76Å; V40-V74 HydrophobicContact CG2-CG2 3.82Å; I42-V74 HydrophobicContact CD1-CG1 4.27Å; R63-V74 CarbonylContact O-C 3.51Å; R63-V74 WeakPolarHBondContact O-CA 3.33Å; L72-V74 HydrophobicContact CB-CG2 4.22Å; V74-V76 HydrophobicContact CB-CG2 4.37Å; V74-V76 HydrophobicContact CG1-CG2 3.77Å; V74-I89 PolarHBondContact N-O 2.86Å; V74-I89 PolarHBondContact O-N 2.91Å; V74-I91 HydrophobicContact CB-CD1 4.41Å; V74-I91 HydrophobicContact CG2-CD1 4.32Å |
| 75 | L | 97.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 76.9 Ų | 76.9 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.8 | 168.8 | -72.8 | 163.6 | 0 | 0 | 0 | 109.1 | G62 R63 F65 E86 R88 | G62-L75 CarbonylContact C-O 3.43Å; G62-L75 WeakPolarHBondContact CA-O 3.49Å; R63-L75 PolarHBondContact N-O 3.27Å; R63-L75 PolarHBondContact O-N 3.34Å; F65-L75 HydrophobicContact CB-CD1 3.63Å; F65-L75 HydrophobicContact CB-CG 3.91Å; F65-L75 HydrophobicContact CD1-CD2 4.39Å; F65-L75 HydrophobicContact CD1-CG 3.83Å; F65-L75 HydrophobicContact CG-CD1 4.36Å; F65-L75 HydrophobicContact CG-CG 4.15Å; L75-E86 VanDerWaalsContact CD2-CD 3.44Å; L75-E86 HydrophobicContact CD2-CG 3.6Å; L75-E86 WeakPolarHBondContact CD2-OE1 2.91Å; L75-R88 HydrophobicContact CD2-CG 3.47Å; L75-R88 VanDerWaalsContact CD2-CG 3.47Å |
| 76 | V | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.006 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.8 | -179.8 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | I42 Y57 K60 V74 K78 K87 I89 | I42-V76 HydrophobicContact CD1-CG2 3.43Å; I42-V76 VanDerWaalsContact CD1-CG2 3.43Å; Y57-V76 HydrophobicContact CD1-CB 4.21Å; Y57-V76 HydrophobicContact CD1-CG1 3.85Å; Y57-V76 HydrophobicContact CE1-CB 4.4Å; Y57-V76 HydrophobicContact CE1-CG1 4.3Å; K60-V76 HydrophobicContact CB-CG1 3.78Å; K60-V76 HydrophobicContact CG-CG1 4.36Å; V74-V76 HydrophobicContact CB-CG2 4.37Å; V74-V76 HydrophobicContact CG1-CG2 3.77Å; V76-K78 PolarHBondContact O-N 3.22Å; V76-K87 PolarHBondContact N-O 2.94Å; V76-K87 PolarHBondContact O-N 2.79Å; V76-I89 HydrophobicContact CB-CD1 3.93Å; V76-I89 HydrophobicContact CG2-CD1 3.69Å |
| 77 | N | 96.7 | Very high | 96.7 | Very high | 106 Ų | 106 | 80.2 Ų | 80.2 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 119.2 | 175.1 | -71.1 | -24.3 | 0 | 0 | 0 | 110.5 | I84 | N77-I84 HydrophobicContact CB-CG2 3.73Å |
| 78 | K | 97.2 | Very high | 96.8 | Very high | 50 Ų | 50 | 85.1 Ų | 85.1 | 22% | 0.217 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.2 | 176.5 | 173.3 | 164 | -175 | -174.8 | 0 | 110.3 | Y56 Y57 V76 V80 I85 K87 | Y56-K78 HydrophobicContact CD1-CB 4.5Å; Y56-K78 HydrophobicContact CD1-CD 3.86Å; Y56-K78 HydrophobicContact CD1-CG 4.05Å; Y56-K78 HydrophobicContact CE1-CB 3.71Å; Y56-K78 HydrophobicContact CE1-CD 3.75Å; Y56-K78 HydrophobicContact CE1-CG 3.4Å; Y56-K78 VanDerWaalsContact CE1-CG 3.4Å; Y56-K78 HydrophobicContact CE2-CG 4.5Å; Y56-K78 HydrophobicContact CG-CD 4.49Å; Y57-K78 HydrophobicContact CE1-CB 4.27Å; Y57-K78 HydrophobicContact CE1-CD 4.15Å; V76-K78 PolarHBondContact O-N 3.22Å; K78-V80 HydrophobicContact CD-CG2 4.44Å; K78-V80 HydrophobicContact CG-CG2 3.99Å; K78-V80 PolarHBondContact O-N 3.44Å; K78-I85 PolarHBondContact N-O 2.97Å; K78-I85 PolarHBondContact O-N 3.42Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å |
| 79 | R | 96.7 | Very high | 96.8 | Very high | 177 Ų | 177 | 83.1 Ų | 83.1 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.5 | 168.8 | -172.3 | 175.9 | 179.2 | 172.2 | 2.3 | 109.7 | Y56 R81 R83 | Y56-R79 PolarHBondContact OH-N 3.1Å; R79-R81 PolarHBondContact NE-O 2.83Å; R79-R83 WeakPolarHBondContact CA-O 3.37Å |
| 80 | V | 96.6 | Very high | 96.9 | Very high | 53 Ų | 53 | 82.9 Ų | 82.9 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 101.4 | 173.3 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | K78 H82 R83 I85 | K78-V80 HydrophobicContact CD-CG2 4.44Å; K78-V80 HydrophobicContact CG-CG2 3.99Å; K78-V80 PolarHBondContact O-N 3.44Å; V80-H82 PolarHBondContact O-N 3.48Å; V80-R83 PolarHBondContact N-O 3.22Å; V80-R83 PolarHBondContact O-N 2.85Å; V80-R83 VanDerWaalsContact O-N 3.12Å; V80-I85 HydrophobicContact CB-CD1 3.89Å; V80-I85 HydrophobicContact CB-CG1 4.39Å; V80-I85 HydrophobicContact CG1-CD1 4.47Å; V80-I85 HydrophobicContact CG2-CD1 3.75Å; V80-I85 HydrophobicContact CG2-CG1 4.2Å |
| 81 | R | 95.5 | Very high | 97 | Very high | 225 Ų | 225 | 77.3 Ų | 77.3 | 85% | 0.849 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | -106.1 | -175 | -59.2 | -179.6 | 177.9 | 180 | -1.3 | 111.3 | R79 | R79-R81 PolarHBondContact NE-O 2.83Š|
| 82 | H | 96.7 | Very high | 97.1 | Very high | 151 Ų | 151 | 80.5 Ų | 80.5 | 70% | 0.699 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -16.4 | -175.5 | 59.2 | -94.5 | 0 | 0 | 0 | 114.4 | V80 | V80-H82 PolarHBondContact O-N 3.48Š|
| 83 | R | 97.2 | Very high | 97.1 | Very high | 142 Ų | 142 | 81.4 Ų | 81.4 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 154.8 | -174 | 64.9 | -180 | -174.9 | -122.4 | 8.7 | 113.7 | R79 V80 I85 | R79-R83 WeakPolarHBondContact CA-O 3.37Å; V80-R83 PolarHBondContact N-O 3.22Å; V80-R83 PolarHBondContact O-N 2.85Å; V80-R83 VanDerWaalsContact O-N 3.12Å; R83-I85 HydrophobicContact CG-CD1 4.23Å; R83-I85 HydrophobicContact CG-CG1 3.95Å |
| 84 | I | 97.3 | Very high | 97 | Very high | 125 Ų | 125 | 82.1 Ų | 82.1 | 64% | 0.641 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122.6 | 171.1 | -60 | 175.3 | 0 | 0 | 0 | 107.5 | N77 | N77-I84 HydrophobicContact CB-CG2 3.73Å |
| 85 | I | 96.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 82.2 Ų | 82.2 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.1 | -179.5 | -51.2 | -178.8 | 0 | 0 | 0 | 108.1 | K78 V80 R83 K87 | K78-I85 PolarHBondContact N-O 2.97Å; K78-I85 PolarHBondContact O-N 3.42Å; V80-I85 HydrophobicContact CB-CD1 3.89Å; V80-I85 HydrophobicContact CB-CG1 4.39Å; V80-I85 HydrophobicContact CG1-CD1 4.47Å; V80-I85 HydrophobicContact CG2-CD1 3.75Å; V80-I85 HydrophobicContact CG2-CG1 4.2Å; R83-I85 HydrophobicContact CG-CD1 4.23Å; R83-I85 HydrophobicContact CG-CG1 3.95Å; I85-K87 HydrophobicContact CG2-CD 4.33Å; I85-K87 PolarHBondContact O-N 2.95Å |
| 86 | E | 96.9 | Very high | 96.9 | Very high | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.514 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.2 | 169.5 | -171.8 | 178.6 | 95 | 0 | 0 | 109.7 | L75 | L75-E86 VanDerWaalsContact CD2-CD 3.44Å; L75-E86 HydrophobicContact CD2-CG 3.6Å; L75-E86 WeakPolarHBondContact CD2-OE1 2.91Å |
| 87 | K | 97.8 | Very high | 96.8 | Very high | 77 Ų | 77 | 85.3 Ų | 85.3 | 34% | 0.335 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.7 | 178.3 | -66.3 | -62.5 | -177.1 | -174 | 0 | 109.8 | Y57 V76 K78 I85 I89 | Y57-K87 HydrophobicContact CE1-CB 4.43Å; V76-K87 PolarHBondContact N-O 2.94Å; V76-K87 PolarHBondContact O-N 2.79Å; K78-K87 HydrophobicContact CB-CG 3.83Å; K78-K87 HydrophobicContact CD-CG 4.36Å; I85-K87 HydrophobicContact CG2-CD 4.33Å; I85-K87 PolarHBondContact O-N 2.95Å; K87-I89 HydrophobicContact CB-CG1 4.45Å |
| 88 | R | 97.5 | Very high | 96.7 | Very high | 170 Ų | 170 | 82.9 Ų | 82.9 | 64% | 0.642 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124 | 170.4 | -67.2 | 175.4 | -175.7 | -142.2 | 0.5 | 108.5 | F65 L75 | F65-R88 HydrophobicContact CD1-CG 4.46Å; F65-R88 HydrophobicContact CE1-CB 3.88Å; F65-R88 HydrophobicContact CE1-CG 4.03Å; F65-R88 HydrophobicContact CZ-CB 4.04Å; F65-R88 HydrophobicContact CZ-CG 4.23Å; L75-R88 HydrophobicContact CD2-CG 3.47Å; L75-R88 VanDerWaalsContact CD2-CG 3.47Å |
| 89 | I | 96.6 | Very high | 96.6 | Very high | 23 Ų | 23 | 81.3 Ų | 81.3 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.1 | -177 | -47.3 | 161 | 0 | 0 | 0 | 108.1 | Y57 G73 V74 V76 K87 I91 | Y57-I89 HydrophobicContact CD1-CD1 3.42Å; Y57-I89 VanDerWaalsContact CD1-CD1 3.42Å; Y57-I89 HydrophobicContact CD2-CD1 3.5Å; Y57-I89 HydrophobicContact CD2-CG1 4.43Å; Y57-I89 HydrophobicContact CE1-CD1 3.41Å; Y57-I89 VanDerWaalsContact CE1-CD1 3.41Å; Y57-I89 HydrophobicContact CE1-CG1 4.41Å; Y57-I89 HydrophobicContact CE2-CD1 3.46Å; Y57-I89 VanDerWaalsContact CE2-CD1 3.46Å; Y57-I89 HydrophobicContact CE2-CG1 4.04Å; Y57-I89 HydrophobicContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CG-CD1 3.46Å; Y57-I89 VanDerWaalsContact CZ-CD1 3.41Å; G73-I89 CarbonylContact C-O 3.55Å; G73-I89 WeakPolarHBondContact CA-O 3.22Å; V74-I89 PolarHBondContact N-O 2.86Å; V74-I89 PolarHBondContact O-N 2.91Å; V76-I89 HydrophobicContact CB-CD1 3.93Å; V76-I89 HydrophobicContact CG2-CD1 3.69Å; K87-I89 HydrophobicContact CB-CG1 4.45Å; I89-I91 HydrophobicContact CB-CD1 4.3Å; I89-I91 HydrophobicContact CB-CG1 4.2Å; I89-I91 HydrophobicContact CG2-CD1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 3.63Å |
| 90 | N | 97.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 82.5 Ų | 82.5 | 65% | 0.652 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 122.2 | 171.9 | -60.1 | -28.6 | 0 | 0 | 0 | 108.5 | ||
| 91 | I | 97 | Very high | 96.3 | Very high | 3 Ų | 3 | 83.8 Ų | 83.8 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.6 | -173.9 | -52.9 | 177.2 | 0 | 0 | 0 | 107.9 | I42 P53 G71 L72 V74 I89 H95 V96 | I42-I91 HydrophobicContact CD1-CD1 3.51Å; I42-I91 HydrophobicContact CG1-CD1 3.76Å; I42-I91 HydrophobicContact CG2-CD1 4Å; P53-I91 HydrophobicContact CB-CD1 4.27Å; G71-I91 CarbonylContact C-O 3.56Å; G71-I91 VanDerWaalsContact CA-O 3.3Å; G71-I91 WeakPolarHBondContact CA-O 3.47Å; L72-I91 PolarHBondContact N-O 3.03Å; L72-I91 PolarHBondContact O-N 2.76Å; V74-I91 HydrophobicContact CB-CD1 4.41Å; V74-I91 HydrophobicContact CG2-CD1 4.32Å; I89-I91 HydrophobicContact CB-CD1 4.3Å; I89-I91 HydrophobicContact CB-CG1 4.2Å; I89-I91 HydrophobicContact CG2-CD1 4.01Å; I89-I91 HydrophobicContact CG2-CG1 3.63Å; I91-H95 HydrophobicContact CG2-CB 3.6Å; I91-V96 HydrophobicContact CB-CG2 4.17Å; I91-V96 HydrophobicContact CG2-CG2 3.72Å |
| 92 | R | 97.2 | Very high | 96.3 | Very high | 73 Ų | 73 | 78 Ų | 78 | 28% | 0.275 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 159.6 | 172.8 | -65 | 176.7 | 79.4 | 104.5 | -1 | 112.6 | K50 G51 E94 H95 | K50-R92 WeakPolarHBondContact O-CD 3.48Å; G51-R92 PolarHBondContact O-N 3.44Å; R92-E94 WeakPolarHBondContact CB-OE2 3.4Å; R92-E94 IonicContact NE-OE1 3.68Å; R92-E94 PolarHBondContact NE-OE1 3.32Å; R92-E94 IonicContact NE-OE2 2.7Å; R92-E94 IonicContact NH2-OE1 3.95Å; R92-E94 PolarHBondContact O-N 2.95Å; R92-H95 PolarHBondContact O-N 3.19Å; R92-H95 VanDerWaalsContact O-N 3.15Å |
| 93 | V | 96.5 | Very high | 96.1 | Very high | 24 Ų | 24 | 76.7 Ų | 76.7 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -59.2 | -28.4 | -175.8 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | F30 Y34 H70 L72 H95 V96 | F30-V93 HydrophobicContact CD1-CG2 4.38Å; Y34-V93 HydrophobicContact CD2-CG1 4.35Å; Y34-V93 HydrophobicContact CE2-CG1 4.26Å; H70-V93 PolarHBondContact O-N 3.29Å; L72-V93 HydrophobicContact CD1-CG1 4.48Å; L72-V93 HydrophobicContact CG-CG1 4.39Å; V93-H95 PolarHBondContact O-N 2.87Å; V93-V96 PolarHBondContact O-N 3.35Å |
| 94 | E | 96.3 | Very high | 96 | Very high | 15 Ų | 15 | 73.2 Ų | 73.2 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -68.2 | -16.8 | -179.7 | -49.4 | 90.7 | 154.5 | 0 | 0 | 113.1 | F30 F48 R92 | F30-E94 HydrophobicContact CD1-CG 4.29Å; F30-E94 HydrophobicContact CE1-CG 3.45Å; F30-E94 VanDerWaalsContact CE1-CG 3.45Å; F30-E94 HydrophobicContact CZ-CG 3.97Å; F48-E94 HydrophobicContact CB-CB 4.38Å; F48-E94 HydrophobicContact CB-CG 4.5Å; F48-E94 HydrophobicContact CD1-CG 4Å; F48-E94 HydrophobicContact CD2-CB 3.59Å; F48-E94 HydrophobicContact CD2-CG 3.71Å; F48-E94 HydrophobicContact CE1-CG 4.13Å; F48-E94 HydrophobicContact CE2-CB 4.01Å; F48-E94 HydrophobicContact CE2-CG 3.85Å; F48-E94 HydrophobicContact CG-CB 3.97Å; F48-E94 HydrophobicContact CG-CG 3.79Å; F48-E94 HydrophobicContact CZ-CG 4.07Å; R92-E94 WeakPolarHBondContact CB-OE2 3.4Å; R92-E94 IonicContact NE-OE1 3.68Å; R92-E94 PolarHBondContact NE-OE1 3.32Å; R92-E94 IonicContact NE-OE2 2.7Å; R92-E94 IonicContact NH2-OE1 3.95Å; R92-E94 PolarHBondContact O-N 2.95Å |
| 95 | H | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -104.9 | 4 | -179.4 | -54.9 | -40.1 | 0 | 0 | 0 | 113.3 | K43 N45 F48 K50 G51 M52 P53 I91 R92 V93 | K43-H95 CarbonylContact C-O 3.53Å; K43-H95 PolarHBondContact N-O 3.36Å; K43-H95 CarbonylContact O-C 3.53Å; K43-H95 VanDerWaalsContact O-CA 3.31Å; K43-H95 WeakPolarHBondContact O-CA 3.48Å; N45-H95 PolarHBondContact N-ND1 2.79Å; N45-H95 PolarHBondContact O-CE1 2.9Å; F48-H95 PolarHBondContact O-CE1 3.26Å; F48-H95 PolarHBondContact O-NE2 2.95Å; K50-H95 PolarHBondContact O-NE2 3.49Å; G51-H95 PolarHBondContact O-CD2 3.12Å; M52-H95 WeakPolarHBondContact CA-NE2 3.21Å; P53-H95 HydrophobicContact CG-CB 4.33Å; I91-H95 HydrophobicContact CG2-CB 3.6Å; R92-H95 PolarHBondContact O-N 3.19Å; R92-H95 VanDerWaalsContact O-N 3.15Å; V93-H95 PolarHBondContact O-N 2.87Å |
| 96 | V | 96.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.6 | -173.6 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | Y34 V40 L72 I91 V93 | Y34-V96 HydrophobicContact CE1-CG1 3.98Å; Y34-V96 PolarHBondContact OH-O 3.12Å; V40-V96 HydrophobicContact CB-CG1 3.46Å; V40-V96 VanDerWaalsContact CB-CG1 3.46Å; V40-V96 HydrophobicContact CG1-CG1 3.76Å; V40-V96 HydrophobicContact CG2-CG1 3.83Å; L72-V96 HydrophobicContact CD1-CB 4.18Å; L72-V96 HydrophobicContact CD1-CG1 3.88Å; L72-V96 HydrophobicContact CD1-CG2 4.27Å; I91-V96 HydrophobicContact CB-CG2 4.17Å; I91-V96 HydrophobicContact CG2-CG2 3.72Å; V93-V96 PolarHBondContact O-N 3.35Å |
| 97 | K | 95.4 | Very high | 95.8 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 44% | 0.435 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.4 | 172.1 | -62.3 | -171.9 | 179.7 | -167.3 | 0 | 109.5 | V40 D41 | V40-K97 CarbonylContact C-O 3.46Å; V40-K97 WeakPolarHBondContact CA-O 3.36Å; D41-K97 PolarHBondContact N-O 2.92Å; D41-K97 PolarHBondContact O-N 2.89Å |
| 98 | P | 95.3 | Very high | 95.7 | Very high | 56 Ų | 56 | 73.8 Ų | 73.8 | 36% | 0.364 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 139.8 | 171.7 | 28.4 | -33.4 | 0 | 0 | 0 | 110 | Y34 | Y34-P98 HydrophobicContact CE1-CB 4.48Å |
| 99 | S | 95.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 68.6 Ų | 68.6 | 11% | 0.112 | 32% | 0.322 | C | S | . | . | trans | -85.1 | 125.3 | -178.2 | -161.2 | 0 | 0 | 0 | 0 | 112.1 | I39 D41 C101 R102 | I39-S99 PolarHBondContact O-N 2.9Å; D41-S99 PolarHBondContact OD1-OG 3.42Å; D41-S99 WeakPolarHBondContact OD2-CA 3.39Å; D41-S99 VanDerWaalsContact OD2-CB 3.28Å; D41-S99 WeakPolarHBondContact OD2-CB 3.49Å; D41-S99 PolarHBondContact OD2-OG 2.81Å; S99-C101 PolarHBondContact O-N 2.73Å; S99-C101 PolarHBondContact OG-SG 2.8Å; S99-R102 PolarHBondContact O-N 2.88Å | ||
| 100 | R | 94.6 | Very high | 95.7 | Very high | 203 Ų | 203 | 74.9 Ų | 74.9 | 77% | 0.766 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.8 | -18.2 | 178.5 | -69 | -178.9 | 176.7 | 177.3 | -3 | 113.5 | R102 E103 D104 | R100-R102 PolarHBondContact O-N 2.81Å; R100-E103 PolarHBondContact O-N 3.02Å; R100-D104 PolarHBondContact O-N 3.37Å |
| 101 | C | 92.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 73.3 Ų | 73.3 | 53% | 0.534 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -34.3 | 178.9 | 67 | 0 | 0 | 0 | 0 | 112.2 | S99 F105 | S99-C101 PolarHBondContact O-N 2.73Å; S99-C101 PolarHBondContact OG-SG 2.8Å; C101-F105 PolarHBondContact O-N 2.82Å |
| 102 | R | 93.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 75 Ų | 75 | 39% | 0.392 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -75.7 | -36.8 | 178.6 | -173.3 | 57.2 | 174.5 | -178.3 | 1.7 | 111.6 | I39 S99 R100 F105 L106 | I39-R102 HydrophobicContact CB-CB 4.47Å; I39-R102 HydrophobicContact CD1-CB 4.25Å; I39-R102 HydrophobicContact CD1-CG 4.32Å; S99-R102 PolarHBondContact O-N 2.88Å; R100-R102 PolarHBondContact O-N 2.81Å; R102-F105 PolarHBondContact O-N 3.15Å; R102-L106 HydrophobicContact CG-CD1 4.06Å; R102-L106 HydrophobicContact CG-CG 4.29Å; R102-L106 WeakPolarHBondContact O-CB 3.49Å; R102-L106 VanDerWaalsContact O-CG 3.28Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 3.4Å |
| 103 | E | 93.9 | Very high | 95.6 | Very high | 123 Ų | 123 | 77.9 Ų | 77.9 | 58% | 0.575 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.7 | -49 | 177.9 | -173.9 | 179.4 | -170.9 | 0 | 0 | 111.6 | R100 F105 L106 R107 | R100-E103 PolarHBondContact O-N 3.02Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.21Å; E103-L106 PolarHBondContact O-N 3.27Å; E103-R107 PolarHBondContact O-N 3.16Å |
| 104 | D | 93.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 83.3 Ų | 83.3 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.2 | -178.9 | 68.3 | 0 | 0 | 0 | 112.1 | R100 L106 R107 R108 | R100-D104 PolarHBondContact O-N 3.37Å; D104-L106 PolarHBondContact O-N 3.26Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-CZ 3.15Å; D104-R107 IonicContact OD1-NE 2.85Å; D104-R107 IonicContact OD1-NH2 3.82Å; D104-R107 PolarHBondContact OD1-NH2 3.39Å; D104-R108 WeakPolarHBondContact O-CB 3.31Å; D104-R108 PolarHBondContact O-N 3.4Å |
| 105 | F | 95.7 | Very high | 95.5 | Very high | 81 Ų | 81 | 84.9 Ų | 84.9 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.4 | 178 | -94.8 | 0 | 0 | 0 | 112 | C101 R102 E103 R108 V109 | C101-F105 PolarHBondContact O-N 2.82Å; R102-F105 PolarHBondContact O-N 3.15Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-F105 PolarHBondContact O-N 3.21Å; F105-R108 PolarHBondContact O-N 2.95Å; F105-V109 HydrophobicContact CD1-CG2 4.07Å; F105-V109 HydrophobicContact CE1-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 4.34Å; F105-V109 HydrophobicContact CZ-CG2 3.75Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3.19Å |
| 106 | L | 95.7 | Very high | 95.4 | Very high | 78 Ų | 78 | 93.1 Ų | 93.1 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | -179.9 | -71.3 | 174.1 | 0 | 0 | 0 | 112 | R102 E103 D104 R108 V109 K110 | R102-L106 HydrophobicContact CG-CD1 4.06Å; R102-L106 HydrophobicContact CG-CG 4.29Å; R102-L106 WeakPolarHBondContact O-CB 3.49Å; R102-L106 VanDerWaalsContact O-CG 3.28Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 3.4Å; E103-L106 PolarHBondContact O-N 3.27Å; D104-L106 PolarHBondContact O-N 3.26Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.26Å; L106-V109 PolarHBondContact O-N 3.04Å; L106-K110 PolarHBondContact O-N 3.41Å; L106-K110 VanDerWaalsContact O-N 3.12Å |
| 107 | R | 96.4 | Very high | 95.4 | Very high | 149 Ų | 149 | 99.6 Ų | 99.6 | 56% | 0.562 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.7 | -46.6 | 173.3 | 176.3 | 173.9 | 60.2 | -148.7 | -0.3 | 111 | E103 D104 V109 K110 E111 | E103-R107 PolarHBondContact O-N 3.16Å; D104-R107 PolarHBondContact O-N 3.42Å; D104-R107 IonicContact OD1-CZ 3.15Å; D104-R107 IonicContact OD1-NE 2.85Å; D104-R107 IonicContact OD1-NH2 3.82Å; D104-R107 PolarHBondContact OD1-NH2 3.39Å; R107-V109 PolarHBondContact O-N 3.41Å; R107-K110 PolarHBondContact O-N 2.89Å; R107-E111 PolarHBondContact O-N 3.4Å |
| 108 | R | 96.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 98.3 Ų | 98.3 | 22% | 0.215 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 178 | -174.6 | 173.8 | 64.4 | 112 | 4.4 | 113.3 | D104 F105 L106 K110 E111 N112 | D104-R108 WeakPolarHBondContact O-CB 3.31Å; D104-R108 PolarHBondContact O-N 3.4Å; F105-R108 PolarHBondContact O-N 2.95Å; L106-R108 VanDerWaalsContact C-N 3.3Å; L106-R108 PolarHBondContact O-N 3.26Å; R108-K110 VanDerWaalsContact C-N 3.35Å; R108-E111 PolarHBondContact O-N 3.07Å; R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.39Å; R108-N112 PolarHBondContact O-N 3.33Å |
| 109 | V | 97 | Very high | 95.3 | Very high | 62 Ų | 62 | 96.2 Ų | 96.2 | 38% | 0.376 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 175.5 | 168.8 | 0 | 0 | 0 | 0 | 110.3 | F105 L106 R107 N112 E113 | F105-V109 HydrophobicContact CD1-CG2 4.07Å; F105-V109 HydrophobicContact CE1-CG2 3.6Å; F105-V109 HydrophobicContact CE2-CG2 4.34Å; F105-V109 HydrophobicContact CZ-CG2 3.75Å; F105-V109 WeakPolarHBondContact O-CG2 3.43Å; F105-V109 PolarHBondContact O-N 3.19Å; L106-V109 PolarHBondContact O-N 3.04Å; R107-V109 PolarHBondContact O-N 3.41Å; V109-N112 PolarHBondContact O-N 3.39Å; V109-E113 WeakPolarHBondContact O-CB 3.5Å; V109-E113 PolarHBondContact O-N 3.21Å |
| 110 | K | 96.9 | Very high | 95.3 | Very high | 154 Ų | 154 | 104.1 Ų | 104.1 | 67% | 0.67 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.7 | -44.3 | 177.3 | -68.8 | 179.3 | 178.7 | -173.8 | 0 | 112.3 | L106 R107 R108 E113 R114 | L106-K110 PolarHBondContact O-N 3.41Å; L106-K110 VanDerWaalsContact O-N 3.12Å; R107-K110 PolarHBondContact O-N 2.89Å; R108-K110 VanDerWaalsContact C-N 3.35Å; K110-E113 PolarHBondContact O-N 3.18Å; K110-R114 PolarHBondContact O-N 2.76Å |
| 111 | E | 96.4 | Very high | 95.3 | Very high | 89 Ų | 89 | 101 Ų | 101 | 42% | 0.416 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.6 | -178.7 | 172.4 | -158.7 | 0 | 0 | 112.1 | R107 R108 E113 R114 L115 | R107-E111 PolarHBondContact O-N 3.4Å; R108-E111 PolarHBondContact O-N 3.07Å; E111-E113 VanDerWaalsContact C-N 3.28Å; E111-E113 PolarHBondContact O-N 3.2Å; E111-R114 PolarHBondContact O-N 3.16Å; E111-R114 IonicContact OE1-NH2 2.7Å; E111-L115 HydrophobicContact CG-CD1 4.14Å; E111-L115 WeakPolarHBondContact O-CG 3.39Å; E111-L115 PolarHBondContact O-N 3.42Å |
| 112 | N | 96.7 | Very high | 95.5 | Very high | 39 Ų | 39 | 107 Ų | 107 | 21% | 0.209 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.5 | -36.6 | 176.7 | -78.9 | -8.1 | 0 | 0 | 0 | 112.4 | R108 V109 R116 L128 | R108-N112 VanDerWaalsContact O-CB 3.28Å; R108-N112 WeakPolarHBondContact O-CB 3.39Å; R108-N112 PolarHBondContact O-N 3.33Å; V109-N112 PolarHBondContact O-N 3.39Å; N112-R116 VanDerWaalsContact O-CB 3.23Å; N112-R116 WeakPolarHBondContact O-CB 3.3Å; N112-R116 PolarHBondContact O-N 3.15Å; N112-L128 HydrophobicContact CB-CD2 4.25Å |
| 113 | E | 95.9 | Very high | 95.3 | Very high | 133 Ų | 133 | 105.2 Ų | 105.2 | 62% | 0.621 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.7 | -42.7 | 177 | -169.9 | 168.5 | -161.7 | 0 | 0 | 111.5 | V109 K110 E111 R116 K117 | V109-E113 WeakPolarHBondContact O-CB 3.5Å; V109-E113 PolarHBondContact O-N 3.21Å; K110-E113 PolarHBondContact O-N 3.18Å; E111-E113 VanDerWaalsContact C-N 3.28Å; E111-E113 PolarHBondContact O-N 3.2Å; E113-R116 PolarHBondContact O-N 3.31Å; E113-K117 PolarHBondContact O-N 2.96Å |
| 114 | R | 95.8 | Very high | 95.3 | Very high | 138 Ų | 138 | 103.5 Ų | 103.5 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58 | -53.6 | 172.2 | -174.1 | -173.1 | 68.5 | -156.7 | -4.3 | 111.5 | K110 E111 R116 K117 E118 | K110-R114 PolarHBondContact O-N 2.76Å; E111-R114 PolarHBondContact O-N 3.16Å; E111-R114 IonicContact OE1-NH2 2.7Å; R114-R116 VanDerWaalsContact C-N 3.27Å; R114-R116 PolarHBondContact O-N 3.2Å; R114-K117 WeakPolarHBondContact O-CB 3.43Å; R114-K117 PolarHBondContact O-N 3.2Å; R114-K117 VanDerWaalsContact O-N 3.09Å; R114-E118 WeakPolarHBondContact CG-OE1 3.41Å; R114-E118 IonicContact NE-OE1 3.92Å; R114-E118 WeakPolarHBondContact O-CG 3.47Å; R114-E118 PolarHBondContact O-N 3.01Å |
| 115 | L | 95.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 110.2 Ų | 110.2 | 26% | 0.257 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -35.9 | 179.9 | -69.9 | 173.2 | 0 | 0 | 0 | 112.2 | E111 A119 L128 | E111-L115 HydrophobicContact CG-CD1 4.14Å; E111-L115 WeakPolarHBondContact O-CG 3.39Å; E111-L115 PolarHBondContact O-N 3.42Å; L115-A119 WeakPolarHBondContact O-CB 3.18Å; L115-A119 PolarHBondContact O-N 3.34Å; L115-L128 HydrophobicContact CB-CD2 3.94Å; L115-L128 HydrophobicContact CD1-CD2 4.35Å |
| 116 | R | 94.8 | Very high | 94.9 | Very high | 173 Ų | 173 | 110.6 Ų | 110.6 | 65% | 0.653 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 175.3 | -177.2 | -179.7 | -74.1 | -169.7 | -5.1 | 111.6 | N112 E113 R114 K120 L128 | N112-R116 VanDerWaalsContact O-CB 3.23Å; N112-R116 WeakPolarHBondContact O-CB 3.3Å; N112-R116 PolarHBondContact O-N 3.15Å; E113-R116 PolarHBondContact O-N 3.31Å; R114-R116 VanDerWaalsContact C-N 3.27Å; R114-R116 PolarHBondContact O-N 3.2Å; R116-K120 WeakPolarHBondContact O-CB 3.19Å; R116-K120 PolarHBondContact O-N 3.21Å; R116-L128 HydrophobicContact CB-CD1 4.13Å |
| 117 | K | 95.7 | Very high | 94.7 | Very high | 139 Ų | 139 | 110.9 Ų | 110.9 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -49.3 | 178.2 | -170.2 | -178.2 | 176.1 | -171.9 | 0 | 111 | E113 R114 A119 K120 E121 | E113-K117 PolarHBondContact O-N 2.96Å; R114-K117 WeakPolarHBondContact O-CB 3.43Å; R114-K117 PolarHBondContact O-N 3.2Å; R114-K117 VanDerWaalsContact O-N 3.09Å; K117-A119 VanDerWaalsContact C-N 3.32Å; K117-A119 PolarHBondContact O-N 3.2Å; K117-K120 WeakPolarHBondContact O-CB 3.12Å; K117-K120 PolarHBondContact O-N 2.81Å; K117-K120 VanDerWaalsContact O-N 3.12Å; K117-E121 VanDerWaalsContact CE-OE1 3.26Å; K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 WeakPolarHBondContact O-CG 2.9Å; K117-E121 PolarHBondContact O-N 3.17Å |
| 118 | E | 95.2 | Very high | 94.5 | Very high | 73 Ų | 73 | 105.7 Ų | 105.7 | 34% | 0.341 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 176.7 | -69.2 | 170.9 | -171.1 | 0 | 0 | 112.3 | R114 K120 E121 R122 | R114-E118 WeakPolarHBondContact CG-OE1 3.41Å; R114-E118 IonicContact NE-OE1 3.92Å; R114-E118 WeakPolarHBondContact O-CG 3.47Å; R114-E118 PolarHBondContact O-N 3.01Å; E118-K120 VanDerWaalsContact C-N 3.35Å; E118-E121 PolarHBondContact O-N 3Å; E118-R122 WeakPolarHBondContact O-CG 3.44Å; E118-R122 PolarHBondContact O-N 3.08Å |
| 119 | A | 94 | Very high | 94.5 | Very high | 11 Ų | 11 | 111.6 Ų | 111.6 | 9% | 0.091 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L115 K117 G123 V124 I126 | L115-A119 WeakPolarHBondContact O-CB 3.18Å; L115-A119 PolarHBondContact O-N 3.34Å; K117-A119 VanDerWaalsContact C-N 3.32Å; K117-A119 PolarHBondContact O-N 3.2Å; A119-G123 PolarHBondContact O-N 3.04Å; A119-V124 WeakPolarHBondContact CB-O 3.45Å; A119-V124 PolarHBondContact O-N 2.7Å; A119-I126 HydrophobicContact CB-CB 4.31Å; A119-I126 HydrophobicContact CB-CD1 3.92Å; A119-I126 HydrophobicContact CB-CG1 4.08Å |
| 120 | K | 94.9 | Very high | 94.3 | Very high | 183 Ų | 183 | 117.5 Ų | 117.5 | 80% | 0.796 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 176.6 | -172.2 | 179.1 | 179.6 | -175.7 | 0 | 111.3 | R116 K117 E118 G123 | R116-K120 WeakPolarHBondContact O-CB 3.19Å; R116-K120 PolarHBondContact O-N 3.21Å; K117-K120 WeakPolarHBondContact O-CB 3.12Å; K117-K120 PolarHBondContact O-N 2.81Å; K117-K120 VanDerWaalsContact O-N 3.12Å; E118-K120 VanDerWaalsContact C-N 3.35Å; K120-G123 PolarHBondContact O-N 3.22Å |
| 121 | E | 95.8 | Very high | 94.1 | Very high | 138 Ų | 138 | 118.5 Ų | 118.5 | 65% | 0.645 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.4 | -39.1 | 177.2 | -72 | 169.2 | -171.7 | 0 | 0 | 112.1 | K117 E118 | K117-E121 VanDerWaalsContact CE-OE1 3.26Å; K117-E121 WeakPolarHBondContact CE-OE1 3.34Å; K117-E121 WeakPolarHBondContact O-CG 2.9Å; K117-E121 PolarHBondContact O-N 3.17Å; E118-E121 PolarHBondContact O-N 3Å |
| 122 | R | 95 | Very high | 94.1 | Very high | 204 Ų | 204 | 119.9 Ų | 119.9 | 77% | 0.77 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -82.4 | -11.3 | 177 | -66.1 | -179.2 | -176.2 | -177.9 | 2.3 | 114.5 | E118 V124 | E118-R122 WeakPolarHBondContact O-CG 3.44Å; E118-R122 PolarHBondContact O-N 3.08Å; R122-V124 VanDerWaalsContact C-N 3.25Å; R122-V124 HydrophobicContact CB-CG2 4.08Å; R122-V124 PolarHBondContact O-N 2.85Å |
| 123 | G | 91.6 | Very high | 94 | Very high | 67 Ų | 67 | 126.6 Ų | 126.6 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69.5 | 15.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | A119 K120 | A119-G123 PolarHBondContact O-N 3.04Å; K120-G123 PolarHBondContact O-N 3.22Å |
| 124 | V | 92.7 | Very high | 93.9 | Very high | 86 Ų | 86 | 122.6 Ų | 122.6 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | trans | -94 | 134.3 | -177.9 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | A119 R122 I126 | A119-V124 WeakPolarHBondContact CB-O 3.45Å; A119-V124 PolarHBondContact O-N 2.7Å; R122-V124 VanDerWaalsContact C-N 3.25Å; R122-V124 HydrophobicContact CB-CG2 4.08Å; R122-V124 PolarHBondContact O-N 2.85Å; V124-I126 HydrophobicContact CG1-CG1 4.44Å; V124-I126 PolarHBondContact O-N 2.83Å | ||
| 125 | K | 90 | Very high | 93.9 | Very high | 211 Ų | 211 | 122.3 Ų | 122.3 | 92% | 0.917 | 61% | 0.608 | S | S | * | * | trans | -79.6 | 118.9 | 172.3 | -74.5 | -179 | 178.9 | 173.6 | 0 | 110.6 | ||||
| 126 | I | 90.4 | Very high | 93.9 | Very high | 90 Ų | 90 | 130.7 Ų | 130.7 | 46% | 0.462 | 64% | 0.636 | S | S | . | * | trans | -111.5 | 139.7 | 175.4 | -69 | -176.2 | 0 | 0 | 0 | 110.9 | A119 V124 L128 | A119-I126 HydrophobicContact CB-CB 4.31Å; A119-I126 HydrophobicContact CB-CD1 3.92Å; A119-I126 HydrophobicContact CB-CG1 4.08Å; V124-I126 HydrophobicContact CG1-CG1 4.44Å; V124-I126 PolarHBondContact O-N 2.83Å; I126-L128 HydrophobicContact CG2-CD2 4.14Å; I126-L128 HydrophobicContact CG2-CG 4.5Å | ||
| 127 | S | 91.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 126.3 Ų | 126.3 | 58% | 0.58 | 64% | 0.637 | S | S | * | * | trans | -89.5 | 112.2 | 169.6 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 128 | L | 93.9 | Very high | 93.8 | Very high | 41 Ų | 41 | 125 Ų | 125 | 22% | 0.215 | 65% | 0.652 | C | S | . | * | trans | -89.7 | -1.8 | 179.1 | -60.3 | 165.8 | 0 | 0 | 0 | 113.9 | N112 L115 R116 I126 | N112-L128 HydrophobicContact CB-CD2 4.25Å; L115-L128 HydrophobicContact CB-CD2 3.94Å; L115-L128 HydrophobicContact CD1-CD2 4.35Å; R116-L128 HydrophobicContact CB-CD1 4.13Å; I126-L128 HydrophobicContact CG2-CD2 4.14Å; I126-L128 HydrophobicContact CG2-CG 4.5Å | ||
| 129 | K | 94.9 | Very high | 93.8 | Very high | 180 Ų | 180 | 128.2 Ų | 128.2 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -79.1 | 139.5 | 179.3 | -67.6 | -176.8 | -180 | 178.5 | 0 | 109.8 | ||
| 130 | R | 94 | Very high | 93.7 | Very high | 186 Ų | 186 | 133.9 Ų | 133.9 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | trans | -67.4 | 140.5 | 170.5 | -63.7 | -176.9 | -64 | -173.9 | 2.3 | 109.3 | ||||
| 131 | K | 93.1 | Very high | 93.5 | Very high | 176 Ų | 176 | 130.1 Ų | 130.1 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | trans | -112 | 147 | 168.7 | -65.6 | -174.6 | 178.9 | -177.7 | 0 | 108.8 | ||||
| 132 | P | 96 | Very high | 93.3 | Very high | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | trans | -62.3 | 163.5 | 165.6 | 29.7 | -34.2 | 0 | 0 | 0 | 109.8 | G134 | P132-G134 PolarHBondContact O-N 2.86Š| ||
| 133 | E | 94.1 | Very high | 93 | Very high | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | trans | -59.2 | 123.9 | 172.4 | -167.1 | 173.7 | 178.4 | 0 | 0 | 109.1 | ||||
| 134 | G | 93.4 | Very high | 92.7 | Very high | 49 Ų | 49 | 136.5 Ų | 136.5 | 51% | 0.505 | 70% | 0.699 | S | S | . | * | trans | -79.7 | 174.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P132 | P132-G134 PolarHBondContact O-N 2.86Š| ||
| 135 | P | 96.2 | Very high | 92.3 | Very high | 132 Ų | 132 | 142.6 Ų | 142.6 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 143.3 | 168.2 | 26.2 | -33.4 | 0 | 0 | 0 | 109.8 | A137 | P135-A137 PolarHBondContact O-N 3.1Š|
| 136 | R | 94.2 | Very high | 92.2 | Very high | 224 Ų | 224 | 138 Ų | 138 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 133.8 | 177.1 | -68 | -177.8 | 178.1 | 178.2 | -0 | 109.2 | ||
| 137 | A | 94.2 | Very high | 92 | Very high | 82 Ų | 82 | 141.9 Ų | 141.9 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 149.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | P135 H139 | P135-A137 PolarHBondContact O-N 3.1Å; A137-H139 PolarHBondContact O-N 3.03Å |
| 138 | A | 94.8 | Very high | 92 | Very high | 112 Ų | 112 | 143 Ų | 143 | 93% | 0.926 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 139 | H | 94.5 | Very high | 91.8 | Very high | 140 Ų | 140 | 149.8 Ų | 149.8 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | trans | -138.3 | 151.3 | 175.7 | 72 | -77.1 | 0 | 0 | 0 | 109.6 | A137 V141 | A137-H139 PolarHBondContact O-N 3.03Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.48Å | ||
| 140 | V | 93.5 | Very high | 91.6 | Very high | 129 Ų | 129 | 153.3 Ų | 153.3 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -93 | 118.8 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 141 | V | 90.7 | Very high | 91.5 | Very high | 105 Ų | 105 | 152.1 Ų | 152.1 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 117.1 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | H139 | H139-V141 WeakPolarHBondContact NE2-CG2 3.48Š|
| 142 | R | 90.7 | Very high | 91.5 | Very high | 214 Ų | 214 | 150.9 Ų | 150.9 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -88 | 128.7 | 179.6 | -66.1 | -178.9 | 177 | 179.2 | -1.5 | 111.1 | ||
| 143 | T | 88.9 | Confident | 91.3 | Very high | 89 Ų | 89 | 149.9 Ų | 149.9 | 55% | 0.546 | 76% | 0.763 | S | S | . | * | trans | -92.8 | -3.3 | -177.6 | 47.3 | 0 | 0 | 0 | 0 | 114.7 | K145 N146 | T143-K145 VanDerWaalsContact C-N 3.3Å; T143-K145 PolarHBondContact O-N 3.42Å; T143-K145 VanDerWaalsContact O-N 3.17Å; T143-N146 CarbonylContact O-C 3.59Å; T143-N146 PolarHBondContact O-N 3.46Å | ||
| 144 | R | 85.4 | Confident | 91.1 | Very high | 240 Ų | 240 | 147.1 Ų | 147.1 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -56.8 | -37.3 | -172.8 | -170.4 | 175.7 | 179.4 | -178.7 | 0.7 | 114.4 | ||
| 145 | K | 85.2 | Confident | 90.9 | Very high | 213 Ų | 213 | 149.3 Ų | 149.3 | 93% | 0.926 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -109.9 | -4.8 | 177.2 | -66.9 | -171.9 | 178.2 | -175.1 | 0 | 113.6 | T143 | T143-K145 VanDerWaalsContact C-N 3.3Å; T143-K145 PolarHBondContact O-N 3.42Å; T143-K145 VanDerWaalsContact O-N 3.17Å |
| 146 | N | 86.1 | Confident | 90.7 | Very high | 114 Ų | 114 | 152.3 Ų | 152.3 | 61% | 0.61 | 76% | 0.76 | S | S | * | * | trans | -132.6 | 87.3 | -176.7 | -167.9 | 12.3 | 0 | 0 | 0 | 109.2 | T143 | T143-N146 CarbonylContact O-C 3.59Å; T143-N146 PolarHBondContact O-N 3.46Å | ||
| 147 | K | 86.2 | Confident | 90.3 | Very high | 173 Ų | 173 | 148.2 Ų | 148.2 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 132.9 | 175.1 | -67.6 | -175.6 | 179.6 | -177.8 | 0 | 108.8 | K149 | K147-K149 PolarHBondContact O-N 3.47Š|
| 148 | P | 91.6 | Very high | 89.7 | Confident | 106 Ų | 106 | 150.8 Ų | 150.8 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 130.7 | 172.6 | -23.7 | 33.3 | 0 | 0 | 0 | 110.4 | ||
| 149 | K | 89.7 | Confident | 89 | Confident | 183 Ų | 183 | 153.8 Ų | 153.8 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 132.3 | 175.1 | -67.6 | -174.4 | 179.5 | -176.5 | 0 | 109.1 | K147 | K147-K149 PolarHBondContact O-N 3.47Š|
| 150 | W | 90.8 | Very high | 88.3 | Confident | 255 Ų | 255 | 157 Ų | 157 | 97% | 0.966 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 129.5 | 168.3 | -65.8 | 95.1 | 0 | 0 | 0 | 109 | ||
| 151 | I | 92.5 | Very high | 88.1 | Confident | 160 Ų | 160 | 158.4 Ų | 158.4 | 82% | 0.821 | 76% | 0.764 | S | S | * | * | trans | -118.1 | 138.1 | 176.4 | -54.6 | 174.6 | 0 | 0 | 0 | 106.5 | ||||
| 152 | H | 92.2 | Very high | 87.9 | Confident | 151 Ų | 151 | 161.2 Ų | 161.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -116.7 | 157.3 | 175.7 | 54.7 | -86.2 | 0 | 0 | 0 | 110 | V154 | H152-V154 PolarHBondContact O-N 3.35Š| ||
| 153 | A | 92.9 | Very high | 87.8 | Confident | 96 Ų | 96 | 158.2 Ų | 158.2 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 154 | V | 89.9 | Confident | 87.7 | Confident | 122 Ų | 122 | 162.3 Ų | 162.3 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 135.5 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | H152 | H152-V154 PolarHBondContact O-N 3.35Š|
| 155 | P | 89.6 | Confident | 87.8 | Confident | 95 Ų | 95 | 157.4 Ų | 157.4 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 155 | 174.4 | 26.6 | -33.9 | 0 | 0 | 0 | 111.4 | E157 | P155-E157 PolarHBondContact O-N 3.01Š|
| 156 | Y | 90.8 | Very high | 88 | Confident | 196 Ų | 196 | 153.7 Ų | 153.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -65 | 127.1 | 174.9 | 174.1 | -95.9 | 0 | 0 | 0 | 110.4 | Q158 | Y156-Q158 HydrophobicContact CE1-CB 4.47Š|
| 157 | E | 86 | Confident | 88.1 | Confident | 138 Ų | 138 | 156.6 Ų | 156.6 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | -126.5 | 138.5 | 169.4 | -77 | -175.9 | 162.5 | 0 | 0 | 109.6 | P155 M159 | P155-E157 PolarHBondContact O-N 3.01Å; E157-M159 PolarHBondContact O-N 3.08Å | ||
| 158 | Q | 81.1 | Confident | 88.3 | Confident | 136 Ų | 136 | 155.3 Ų | 155.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -83.3 | 101.1 | 176.1 | -171.1 | 168.7 | -30.4 | 0 | 0 | 109.5 | Y156 I160 | Y156-Q158 HydrophobicContact CE1-CB 4.47Å; Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 HydrophobicContact CG-CD1 4.25Å; Q158-I160 HydrophobicContact CG-CG1 4.18Å; Q158-I160 PolarHBondContact O-N 2.98Å | ||
| 159 | M | 81.2 | Confident | 88 | Confident | 175 Ų | 175 | 159.4 Ų | 159.4 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | trans | -86.2 | 71.4 | 174.9 | -67.9 | -175.9 | 177.4 | 0 | 0 | 111.1 | E157 | E157-M159 PolarHBondContact O-N 3.08Š| ||
| 160 | I | 79.7 | Confident | 87.9 | Confident | 206 Ų | 206 | 157.3 Ų | 157.3 | 100% | 1.056 | 78% | 0.782 | S | S | * | * | trans | -118.7 | 0 | 166.1 | -60.5 | -179.9 | 0 | 0 | 0 | 108.3 | Q158 | Q158-I160 VanDerWaalsContact C-N 3.35Å; Q158-I160 HydrophobicContact CG-CD1 4.25Å; Q158-I160 HydrophobicContact CG-CG1 4.18Å; Q158-I160 PolarHBondContact O-N 2.98Å |
Retrieved 160 of 160 residues in 104.7 ms
(Link to these results)