| 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 | 83 | Confident | 96.9 | Very high | 223 Ų | 223 | 44.7 Ų | 44.7 | 100% | 1.099 | 23% | 0.231 | S | C | * | . | 0 | 141.2 | 0 | -78 | -172.6 | -87.4 | 0 | 0 | 107.3 | |||||
| 2 | S | 93.6 | Very high | 97 | Very high | 78 Ų | 78 | 47.3 Ų | 47.3 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | trans | -60.7 | 147.6 | 174 | -170.5 | 0 | 0 | 0 | 0 | 110.1 | G29 | S2-G29 VanDerWaalsContact CB-O 3.24Å; S2-G29 WeakPolarHBondContact CB-O 3.37Å; S2-G29 PolarHBondContact OG-O 3.32Å | ||
| 3 | K | 98.2 | Very high | 97.2 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | trans | -126.5 | 148.7 | -179.6 | -71.6 | -163.4 | 165.1 | -56.1 | 0 | 109 | H30 E31 D67 L170 | K3-H30 PolarHBondContact N-ND1 3.33Å; K3-H30 WeakPolarHBondContact O-CB 3.37Å; K3-E31 PolarHBondContact O-N 3.38Å; K3-D67 VanDerWaalsContact CA-OD2 3.25Å; K3-D67 WeakPolarHBondContact CA-OD2 3.41Å; K3-D67 HydrophobicContact CB-CB 3.81Å; K3-D67 HydrophobicContact CD-CB 3.86Å; K3-D67 HydrophobicContact CG-CB 4.06Å; K3-D67 IonicContact NZ-OD1 2.83Å; K3-D67 PolarHBondContact NZ-OD1 2.89Å; K3-L170 HydrophobicContact CB-CD2 4.29Å; K3-L170 HydrophobicContact CD-CB 4.24Å; K3-L170 HydrophobicContact CD-CD2 3.7Å; K3-L170 WeakPolarHBondContact CD-O 3.25Å; K3-L170 WeakPolarHBondContact CE-O 3.47Å | ||
| 4 | K | 98.7 | Very high | 97.3 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 32% | 0.317 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.4 | 177.5 | -62 | -174.2 | 70.1 | -170.3 | 0 | 110.1 | E31 F66 D67 A68 | K4-E31 VanDerWaalsContact CE-OE2 3.3Å; K4-E31 WeakPolarHBondContact CE-OE2 3.26Å; K4-E31 HydrophobicContact CG-CB 4.41Å; K4-E31 WeakPolarHBondContact CG-OE2 3.42Å; K4-F66 HydrophobicContact CB-CD1 4.1Å; K4-D67 PolarHBondContact N-OD2 3.46Å; K4-D67 PolarHBondContact O-N 2.95Å; K4-A68 PolarHBondContact O-N 3.43Å |
| 5 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 113.5 | 176.6 | -58.6 | 86.9 | 0 | 0 | 0 | 108.4 | F25 H30 E31 I33 A68 L70 F101 L170 | I5-F25 HydrophobicContact CB-CD2 4.39Å; I5-F25 HydrophobicContact CD1-CB 4.27Å; I5-F25 HydrophobicContact CD1-CD2 4.39Å; I5-F25 HydrophobicContact CD1-CG 4.34Å; I5-F25 HydrophobicContact CG1-CD2 4.17Å; I5-F25 HydrophobicContact CG1-CE2 4.48Å; I5-F25 HydrophobicContact CG2-CD2 4.22Å; I5-F25 HydrophobicContact CG2-CE2 4.03Å; I5-H30 HydrophobicContact CD1-CB 3.37Å; I5-E31 WeakPolarHBondContact CD1-O 3.3Å; I5-E31 PolarHBondContact N-O 3.16Å; I5-I33 PolarHBondContact O-N 3.32Å; I5-A68 WeakPolarHBondContact CA-O 3.28Å; I5-A68 HydrophobicContact CG1-CB 4.28Å; I5-L70 HydrophobicContact CG2-CB 4.03Å; I5-F101 HydrophobicContact CG2-CE2 4.49Å; I5-L170 HydrophobicContact CD1-CD1 4.11Å; I5-L170 HydrophobicContact CD1-CD2 4.45Å; I5-L170 HydrophobicContact CG1-CD1 4.08Å; I5-L170 HydrophobicContact CG1-CD2 4.21Å |
| 6 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110 | I33 I35 F66 A68 L69 L70 F89 F93 | A6-I33 CarbonylContact C-O 3.58Å; A6-I33 WeakPolarHBondContact CA-O 3.47Å; A6-I35 HydrophobicContact CB-CD1 3.7Å; A6-F66 HydrophobicContact CB-CB 4.11Å; A6-F66 HydrophobicContact CB-CD1 3.72Å; A6-F66 HydrophobicContact CB-CD2 3.93Å; A6-F66 HydrophobicContact CB-CE1 4.1Å; A6-F66 HydrophobicContact CB-CE2 4.29Å; A6-F66 HydrophobicContact CB-CG 3.64Å; A6-F66 HydrophobicContact CB-CZ 4.37Å; A6-A68 PolarHBondContact N-O 2.92Å; A6-L69 HydrophobicContact CB-CD1 4.01Å; A6-L69 CarbonylContact O-C 3.6Å; A6-L69 WeakPolarHBondContact O-CA 3.41Å; A6-L70 PolarHBondContact O-N 3.21Å; A6-F89 HydrophobicContact CB-CE1 4.2Å; A6-F89 HydrophobicContact CB-CZ 4.17Å; A6-F93 HydrophobicContact CB-CE2 4.34Å |
| 7 | V | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 114.4 | 172.7 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | I9 F18 V32 I33 T34 I35 L70 P72 | V7-I9 HydrophobicContact CG1-CB 4.08Å; V7-I9 HydrophobicContact CG1-CG2 4.19Å; V7-I9 PolarHBondContact O-N 2.61Å; V7-F18 HydrophobicContact CG1-CD2 4.14Å; V7-F18 HydrophobicContact CG1-CE2 4.41Å; V7-F18 HydrophobicContact CG2-CE2 4.49Å; V7-V32 HydrophobicContact CG2-CG1 3.48Å; V7-V32 VanDerWaalsContact CG2-CG1 3.48Å; V7-I33 PolarHBondContact N-O 2.99Å; V7-T34 HydrophobicContact CB-CG2 4.33Å; V7-I35 PolarHBondContact O-N 2.84Å; V7-L70 WeakPolarHBondContact CA-O 3.34Å; V7-L70 HydrophobicContact CG1-CB 4.22Å; V7-L70 HydrophobicContact CG1-CD2 3.99Å; V7-L70 HydrophobicContact CG1-CG 4.15Å; V7-L70 HydrophobicContact CG2-CB 4.12Å; V7-L70 HydrophobicContact CG2-CD2 4.13Å; V7-P72 HydrophobicContact CG1-CG 4.27Å |
| 8 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 108.8 | 170.3 | -58.9 | -173.7 | 0 | 0 | 0 | 108.4 | I35 I58 L69 L70 L71 L80 F86 F89 T90 L109 | L8-I35 HydrophobicContact CD2-CB 3.89Å; L8-I35 HydrophobicContact CD2-CD1 4.21Å; L8-I35 HydrophobicContact CD2-CG2 3.96Å; L8-I58 HydrophobicContact CD2-CD1 4Å; L8-L69 HydrophobicContact CD1-CD1 4.48Å; L8-L69 HydrophobicContact CG-CD1 3.91Å; L8-L70 PolarHBondContact N-O 2.85Å; L8-L71 HydrophobicContact CB-CD2 3.86Å; L8-L71 HydrophobicContact CD1-CD2 4Å; L8-L71 HydrophobicContact CG-CD2 4.06Å; L8-L80 HydrophobicContact CB-CD1 4.02Å; L8-F86 HydrophobicContact CB-CD1 4.38Å; L8-F86 HydrophobicContact CD1-CB 4.28Å; L8-F86 HydrophobicContact CD1-CD1 4.17Å; L8-F86 HydrophobicContact CD2-CD1 3.98Å; L8-F86 HydrophobicContact CD2-CE1 4.43Å; L8-F86 HydrophobicContact CG-CD1 4.38Å; L8-F89 HydrophobicContact CD1-CD1 4.02Å; L8-F89 HydrophobicContact CD2-CD1 3.98Å; L8-F89 HydrophobicContact CD2-CE1 4.18Å; L8-F89 HydrophobicContact CG-CD1 4.32Å; L8-T90 WeakPolarHBondContact CD1-OG1 3.41Å; L8-L109 HydrophobicContact CB-CD1 4.4Å; L8-L109 HydrophobicContact CD1-CD1 4.36Å |
| 9 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -144.9 | 135.8 | -171.4 | -170.8 | 171.5 | 0 | 0 | 0 | 110.5 | V7 F13 F18 T34 I35 E36 V43 V52 I54 P72 | V7-I9 HydrophobicContact CG1-CB 4.08Å; V7-I9 HydrophobicContact CG1-CG2 4.19Å; V7-I9 PolarHBondContact O-N 2.61Å; I9-F13 HydrophobicContact CD1-CB 4.13Å; I9-F13 HydrophobicContact CD1-CD1 3.67Å; I9-F13 HydrophobicContact CD1-CD2 3.78Å; I9-F13 HydrophobicContact CD1-CE1 3.94Å; I9-F13 HydrophobicContact CD1-CE2 4.06Å; I9-F13 HydrophobicContact CD1-CG 3.58Å; I9-F13 HydrophobicContact CD1-CZ 4.15Å; I9-F13 HydrophobicContact CG1-CB 3.89Å; I9-F13 HydrophobicContact CG1-CD1 3.74Å; I9-F13 HydrophobicContact CG1-CD2 4.46Å; I9-F13 HydrophobicContact CG1-CE1 4.38Å; I9-F13 HydrophobicContact CG1-CG 3.78Å; I9-F18 HydrophobicContact CD1-CB 3.88Å; I9-F18 HydrophobicContact CD1-CD2 3.68Å; I9-F18 HydrophobicContact CD1-CE2 4.37Å; I9-F18 HydrophobicContact CD1-CG 3.76Å; I9-T34 HydrophobicContact CG2-CG2 4.09Å; I9-I35 PolarHBondContact N-O 3.37Å; I9-E36 WeakPolarHBondContact O-CB 3.31Å; I9-E36 WeakPolarHBondContact O-CG 3.3Å; I9-V43 HydrophobicContact CG1-CG2 4.47Å; I9-V52 HydrophobicContact CD1-CG2 4.47Å; I9-I54 HydrophobicContact CG2-CD1 3.88Å; I9-P72 HydrophobicContact CB-CG 4.29Å; I9-P72 HydrophobicContact CD1-CG 4.19Å; I9-P72 HydrophobicContact CG1-CG 4.14Å | ||
| 10 | T | 98.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | trans | -136.6 | -172.8 | 168.9 | -165.6 | 0 | 0 | 0 | 0 | 109.7 | F13 E36 S76 Y79 L80 | T10-F13 WeakPolarHBondContact O-CD1 3.45Å; T10-E36 PolarHBondContact OG1-OE1 3.45Å; T10-S76 PolarHBondContact N-OG 2.8Å; T10-Y79 HydrophobicContact CG2-CD2 4.03Å; T10-Y79 HydrophobicContact CG2-CG 4.38Å; T10-L80 HydrophobicContact CG2-CD1 4.36Å; T10-L80 HydrophobicContact CG2-CD2 3.75Å; T10-L80 HydrophobicContact CG2-CG 3.74Å | ||
| 11 | D | 98.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 34 Ų | 34 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 152.2 | -179.5 | -69.5 | -68.3 | 0 | 0 | 0 | 113 | F13 K41 V43 K44 Y79 | D11-F13 VanDerWaalsContact C-N 3.26Å; D11-F13 PolarHBondContact O-N 3.48Å; D11-K41 VanDerWaalsContact OD2-CE 3.31Å; D11-K41 WeakPolarHBondContact OD2-CE 3.32Å; D11-K41 IonicContact OD2-NZ 3.41Å; D11-K41 PolarHBondContact OD2-NZ 2.79Å; D11-V43 VanDerWaalsContact OD1-CA 3.28Å; D11-V43 WeakPolarHBondContact OD1-CA 3.42Å; D11-K44 PolarHBondContact OD1-N 2.92Å; D11-Y79 WeakPolarHBondContact O-CD2 3.17Å |
| 12 | E | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 23.4 Ų | 23.4 | 35% | 0.35 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 28.1 | -179.1 | -54.7 | -168.9 | 124.3 | 0 | 0 | 114.9 | K44 K46 G74 H75 S76 Y79 | E12-K44 PolarHBondContact N-O 3.41Å; E12-K46 HydrophobicContact CB-CB 4.46Å; E12-G74 CarbonylContact O-C 3.57Å; E12-H75 HydrophobicContact CB-CB 3.88Å; E12-H75 PolarHBondContact O-N 3.13Å; E12-S76 PolarHBondContact O-N 3.2Å; E12-Y79 HydrophobicContact CB-CE2 4.12Å; E12-Y79 HydrophobicContact CG-CE2 4.29Å; E12-Y79 VanDerWaalsContact OE2-CE2 3.29Å; E12-Y79 WeakPolarHBondContact OE2-CE2 3.44Å; E12-Y79 VanDerWaalsContact OE2-CZ 3.26Å; E12-Y79 PolarHBondContact OE2-OH 3.12Å |
| 13 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -63 | 151.6 | 162.6 | 69.5 | -86.8 | 0 | 0 | 0 | 111 | I9 T10 D11 D15 F18 V43 G45 K46 A50 V52 G73 | I9-F13 HydrophobicContact CD1-CB 4.13Å; I9-F13 HydrophobicContact CD1-CD1 3.67Å; I9-F13 HydrophobicContact CD1-CD2 3.78Å; I9-F13 HydrophobicContact CD1-CE1 3.94Å; I9-F13 HydrophobicContact CD1-CE2 4.06Å; I9-F13 HydrophobicContact CD1-CG 3.58Å; I9-F13 HydrophobicContact CD1-CZ 4.15Å; I9-F13 HydrophobicContact CG1-CB 3.89Å; I9-F13 HydrophobicContact CG1-CD1 3.74Å; I9-F13 HydrophobicContact CG1-CD2 4.46Å; I9-F13 HydrophobicContact CG1-CE1 4.38Å; I9-F13 HydrophobicContact CG1-CG 3.78Å; T10-F13 WeakPolarHBondContact O-CD1 3.45Å; D11-F13 VanDerWaalsContact C-N 3.26Å; D11-F13 PolarHBondContact O-N 3.48Å; F13-D15 PolarHBondContact O-N 3.02Å; F13-F18 HydrophobicContact CD2-CB 3.74Å; F13-F18 HydrophobicContact CE2-CB 3.62Å; F13-F18 HydrophobicContact CE2-CD1 4.29Å; F13-F18 HydrophobicContact CE2-CG 4.23Å; F13-V43 HydrophobicContact CD1-CG2 4.41Å; F13-V43 HydrophobicContact CE1-CG2 4.09Å; F13-G45 CarbonylContact O-C 3.47Å; F13-G45 VanDerWaalsContact O-CA 3.25Å; F13-G45 WeakPolarHBondContact O-CA 3.33Å; F13-K46 WeakPolarHBondContact O-CB 3.2Å; F13-K46 PolarHBondContact O-N 3.04Å; F13-A50 HydrophobicContact CE2-CB 4.01Å; F13-A50 HydrophobicContact CZ-CB 3.83Å; F13-V52 HydrophobicContact CE1-CG2 4.02Å; F13-V52 HydrophobicContact CE2-CG2 4.29Å; F13-V52 HydrophobicContact CZ-CB 4.47Å; F13-V52 HydrophobicContact CZ-CG2 3.51Å; F13-G73 WeakPolarHBondContact CA-O 3.39Å |
| 14 | E | 98.7 | Very high | 98.8 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 9% | 0.093 | 12% | 0.124 | C | C | . | . | trans | -70.7 | 118.1 | 172.7 | 171.6 | 58.3 | -131.9 | 0 | 0 | 109.7 | S16 E17 K47 G73 P156 | E14-S16 VanDerWaalsContact C-N 3.33Å; E14-S16 PolarHBondContact O-N 3.49Å; E14-S16 PolarHBondContact OE1-OG 2.99Å; E14-E17 HydrophobicContact CB-CB 4.07Å; E14-E17 HydrophobicContact CB-CG 3.92Å; E14-E17 HydrophobicContact CG-CB 4.14Å; E14-E17 VanDerWaalsContact CG-CD 3.49Å; E14-E17 HydrophobicContact CG-CG 3.6Å; E14-E17 WeakPolarHBondContact CG-OE1 3.48Å; E14-E17 WeakPolarHBondContact O-CB 3.37Å; E14-E17 PolarHBondContact O-N 2.81Å; E14-K47 VanDerWaalsContact OE1-CE 3.25Å; E14-K47 WeakPolarHBondContact OE1-CE 3.4Å; E14-K47 IonicContact OE1-NZ 2.71Å; E14-K47 PolarHBondContact OE1-NZ 2.96Å; E14-K47 IonicContact OE2-NZ 2.71Å; E14-G73 PolarHBondContact N-O 3.21Å; E14-P156 HydrophobicContact CG-CG 3.86Å | ||
| 15 | D | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -51 | -49.9 | -165.4 | -59.2 | -117.9 | 0 | 0 | 0 | 112.7 | F13 E17 F18 T19 G45 K46 K47 G48 E49 A50 | F13-D15 PolarHBondContact O-N 3.02Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 2.71Å; D15-F18 PolarHBondContact O-N 2.79Å; D15-T19 PolarHBondContact O-N 3.08Å; D15-T19 VanDerWaalsContact O-N 3.11Å; D15-T19 PolarHBondContact O-OG1 3.02Å; D15-G45 WeakPolarHBondContact OD1-CA 3.35Å; D15-K46 PolarHBondContact OD2-N 3.4Å; D15-K47 VanDerWaalsContact OD2-CB 3.32Å; D15-K47 WeakPolarHBondContact OD2-CB 3.37Å; D15-K47 PolarHBondContact OD2-N 2.82Å; D15-G48 PolarHBondContact OD1-N 3.44Å; D15-E49 HydrophobicContact CB-CB 4.35Å; D15-E49 WeakPolarHBondContact OD1-CA 3.38Å; D15-E49 PolarHBondContact OD1-N 3.36Å; D15-A50 HydrophobicContact CB-CB 3.91Å; D15-A50 PolarHBondContact OD1-N 3.17Å |
| 16 | S | 98.7 | Very high | 98.8 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 21% | 0.21 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.4 | -26.6 | -179 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | E14 F18 T19 S20 P21 P156 | E14-S16 VanDerWaalsContact C-N 3.33Å; E14-S16 PolarHBondContact O-N 3.49Å; E14-S16 PolarHBondContact OE1-OG 2.99Å; S16-F18 PolarHBondContact O-N 3.39Å; S16-T19 WeakPolarHBondContact CA-OG1 3.12Å; S16-S20 VanDerWaalsContact O-CB 3.27Å; S16-S20 WeakPolarHBondContact O-CB 3.45Å; S16-S20 PolarHBondContact O-N 3.21Å; S16-P21 WeakPolarHBondContact O-CD 3.32Å; S16-P156 WeakPolarHBondContact OG-CB 3.48Å |
| 17 | E | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.5 | -12.6 | 179.3 | -68.6 | 175.5 | -165.7 | 0 | 0 | 112.6 | E14 D15 P21 P72 G73 I103 C104 P156 | E14-E17 HydrophobicContact CB-CB 4.07Å; E14-E17 HydrophobicContact CB-CG 3.92Å; E14-E17 HydrophobicContact CG-CB 4.14Å; E14-E17 VanDerWaalsContact CG-CD 3.49Å; E14-E17 HydrophobicContact CG-CG 3.6Å; E14-E17 WeakPolarHBondContact CG-OE1 3.48Å; E14-E17 WeakPolarHBondContact O-CB 3.37Å; E14-E17 PolarHBondContact O-N 2.81Å; D15-E17 VanDerWaalsContact C-N 3.34Å; D15-E17 PolarHBondContact O-N 2.71Å; E17-P21 WeakPolarHBondContact O-CG 3.42Å; E17-P72 HydrophobicContact CB-CB 4.13Å; E17-G73 WeakPolarHBondContact OE2-CA 3.43Å; E17-G73 PolarHBondContact OE2-N 3.12Å; E17-I103 HydrophobicContact CB-CG2 3.81Å; E17-I103 HydrophobicContact CG-CD1 4.26Å; E17-I103 HydrophobicContact CG-CG1 4.34Å; E17-I103 HydrophobicContact CG-CG2 3.86Å; E17-C104 VanDerWaalsContact CD-CB 3.42Å; E17-C104 WeakPolarHBondContact OE1-CB 3.33Å; E17-C104 PolarHBondContact OE1-SG 3.45Å; E17-C104 VanDerWaalsContact OE1-SG 3.36Å; E17-C104 VanDerWaalsContact OE2-CB 3.27Å; E17-C104 WeakPolarHBondContact OE2-CB 3.42Å; E17-P156 HydrophobicContact CG-CG 4.22Å; E17-P156 WeakPolarHBondContact OE1-CD 3.25Å |
| 18 | F | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 4% | 0.044 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -98.2 | -53 | 164.1 | 169.6 | -101 | 0 | 0 | 0 | 112.1 | V7 I9 F13 D15 S16 S20 P21 A22 V32 T34 V52 | V7-F18 HydrophobicContact CG1-CD2 4.14Å; V7-F18 HydrophobicContact CG1-CE2 4.41Å; V7-F18 HydrophobicContact CG2-CE2 4.49Å; I9-F18 HydrophobicContact CD1-CB 3.88Å; I9-F18 HydrophobicContact CD1-CD2 3.68Å; I9-F18 HydrophobicContact CD1-CE2 4.37Å; I9-F18 HydrophobicContact CD1-CG 3.76Å; F13-F18 HydrophobicContact CD2-CB 3.74Å; F13-F18 HydrophobicContact CE2-CB 3.62Å; F13-F18 HydrophobicContact CE2-CD1 4.29Å; F13-F18 HydrophobicContact CE2-CG 4.23Å; D15-F18 PolarHBondContact O-N 2.79Å; S16-F18 PolarHBondContact O-N 3.39Å; F18-S20 PolarHBondContact O-N 2.85Å; F18-P21 WeakPolarHBondContact O-CD 3.41Å; F18-A22 HydrophobicContact CD2-CB 4.45Å; F18-A22 HydrophobicContact CE1-CB 4.36Å; F18-A22 HydrophobicContact CE2-CB 4.1Å; F18-A22 HydrophobicContact CZ-CB 4.06Å; F18-A22 WeakPolarHBondContact O-CB 3.48Å; F18-A22 PolarHBondContact O-N 2.87Å; F18-V32 HydrophobicContact CE2-CG1 4.24Å; F18-T34 HydrophobicContact CE2-CG2 3.72Å; F18-T34 HydrophobicContact CZ-CG2 4.01Å; F18-V52 HydrophobicContact CD1-CG2 3.43Å; F18-V52 VanDerWaalsContact CD1-CG2 3.43Å; F18-V52 HydrophobicContact CE1-CB 4.23Å; F18-V52 HydrophobicContact CE1-CG1 3.87Å; F18-V52 HydrophobicContact CE1-CG2 3.27Å; F18-V52 HydrophobicContact CE2-CG1 4.22Å; F18-V52 HydrophobicContact CG-CG2 4.22Å; F18-V52 HydrophobicContact CZ-CB 4.48Å; F18-V52 HydrophobicContact CZ-CG1 3.64Å; F18-V52 HydrophobicContact CZ-CG2 3.95Å |
| 19 | T | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 37 Ų | 37 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.4 | -42.6 | -168.8 | 54.2 | 0 | 0 | 0 | 0 | 112 | D15 S16 A22 D23 A50 | D15-T19 PolarHBondContact O-N 3.08Å; D15-T19 VanDerWaalsContact O-N 3.11Å; D15-T19 PolarHBondContact O-OG1 3.02Å; S16-T19 WeakPolarHBondContact CA-OG1 3.12Å; T19-A22 PolarHBondContact O-N 3.08Å; T19-D23 WeakPolarHBondContact O-CB 3.42Å; T19-D23 VanDerWaalsContact O-CG 3.25Å; T19-D23 PolarHBondContact O-N 3.25Å; T19-A50 HydrophobicContact CG2-CB 3.78Å |
| 20 | S | 98.9 | Very high | 98.6 | Very high | 34 Ų | 34 | 37.6 Ų | 37.6 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -52.1 | -178.9 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | S16 F18 A22 D23 E24 N163 | S16-S20 VanDerWaalsContact O-CB 3.27Å; S16-S20 WeakPolarHBondContact O-CB 3.45Å; S16-S20 PolarHBondContact O-N 3.21Å; F18-S20 PolarHBondContact O-N 2.85Å; S20-A22 PolarHBondContact O-N 3.28Å; S20-D23 PolarHBondContact O-N 3.49Å; S20-E24 WeakPolarHBondContact O-CG 3.32Å; S20-E24 PolarHBondContact O-N 3.13Å; S20-E24 VanDerWaalsContact O-N 3.15Å; S20-N163 PolarHBondContact OG-ND2 3.24Å |
| 21 | P | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 175.4 | -24 | 34.7 | 0 | 0 | 0 | 112.7 | S16 E17 F18 D23 E24 F25 L70 L159 F162 N163 | S16-P21 WeakPolarHBondContact O-CD 3.32Å; E17-P21 WeakPolarHBondContact O-CG 3.42Å; F18-P21 WeakPolarHBondContact O-CD 3.41Å; P21-D23 VanDerWaalsContact C-N 3.34Å; P21-D23 PolarHBondContact O-N 2.81Å; P21-E24 PolarHBondContact O-N 2.76Å; P21-F25 HydrophobicContact CB-CD2 4.47Å; P21-F25 HydrophobicContact CB-CE2 3.84Å; P21-F25 HydrophobicContact CB-CZ 3.94Å; P21-F25 WeakPolarHBondContact O-CB 3.15Å; P21-F25 WeakPolarHBondContact O-CD1 3.21Å; P21-F25 WeakPolarHBondContact O-CD2 3.37Å; P21-F25 WeakPolarHBondContact O-CG 3.25Å; P21-F25 PolarHBondContact O-N 3.07Å; P21-L70 HydrophobicContact CB-CD1 4.21Å; P21-L70 HydrophobicContact CB-CD2 3.93Å; P21-L70 HydrophobicContact CG-CD1 4.37Å; P21-L70 HydrophobicContact CG-CD2 4.48Å; P21-L159 HydrophobicContact CG-CD2 3.99Å; P21-F162 HydrophobicContact CB-CE1 4.18Å; P21-F162 HydrophobicContact CG-CD1 4Å; P21-F162 HydrophobicContact CG-CE1 3.74Å; P21-N163 WeakPolarHBondContact CA-OD1 3.47Å; P21-N163 WeakPolarHBondContact CG-OD1 3.31Å |
| 22 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F18 T19 S20 R26 V32 | F18-A22 HydrophobicContact CD2-CB 4.45Å; F18-A22 HydrophobicContact CE1-CB 4.36Å; F18-A22 HydrophobicContact CE2-CB 4.1Å; F18-A22 HydrophobicContact CZ-CB 4.06Å; F18-A22 WeakPolarHBondContact O-CB 3.48Å; F18-A22 PolarHBondContact O-N 2.87Å; T19-A22 PolarHBondContact O-N 3.08Å; S20-A22 PolarHBondContact O-N 3.28Å; A22-R26 WeakPolarHBondContact O-CB 3.24Å; A22-R26 WeakPolarHBondContact O-CG 3.44Å; A22-R26 PolarHBondContact O-N 3.3Å; A22-V32 HydrophobicContact CB-CG1 4.21Å; A22-V32 HydrophobicContact CB-CG2 4.28Å |
| 23 | D | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 37 Ų | 37 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.4 | -41.9 | 177.3 | -75 | -7.5 | 0 | 0 | 0 | 111.8 | T19 S20 P21 R26 K27 | T19-D23 WeakPolarHBondContact O-CB 3.42Å; T19-D23 VanDerWaalsContact O-CG 3.25Å; T19-D23 PolarHBondContact O-N 3.25Å; S20-D23 PolarHBondContact O-N 3.49Å; P21-D23 VanDerWaalsContact C-N 3.34Å; P21-D23 PolarHBondContact O-N 2.81Å; D23-R26 PolarHBondContact O-N 3.35Å; D23-R26 IonicContact OD1-NH1 2.85Å; D23-K27 WeakPolarHBondContact O-CB 3.38Å; D23-K27 VanDerWaalsContact O-CG 3.25Å; D23-K27 WeakPolarHBondContact O-CG 3.3Å; D23-K27 PolarHBondContact O-N 3.06Å |
| 24 | E | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.7 | -67.8 | -52.5 | 119.4 | 0 | 0 | 111.9 | S20 P21 R26 K27 A28 N163 L167 | S20-E24 WeakPolarHBondContact O-CG 3.32Å; S20-E24 PolarHBondContact O-N 3.13Å; S20-E24 VanDerWaalsContact O-N 3.15Å; P21-E24 PolarHBondContact O-N 2.76Å; E24-R26 PolarHBondContact O-N 2.93Å; E24-K27 PolarHBondContact O-N 3Å; E24-K27 IonicContact OE1-NZ 2.83Å; E24-K27 PolarHBondContact OE1-NZ 3.35Å; E24-A28 PolarHBondContact O-N 3.33Å; E24-A28 VanDerWaalsContact O-N 3.08Å; E24-N163 HydrophobicContact CG-CB 4.23Å; E24-L167 HydrophobicContact CB-CD1 4.26Å |
| 25 | F | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 175.1 | -60.4 | -23.1 | 0 | 0 | 0 | 112.2 | I5 P21 A28 G29 H30 V32 L70 F101 A166 L167 L170 | I5-F25 HydrophobicContact CB-CD2 4.39Å; I5-F25 HydrophobicContact CD1-CB 4.27Å; I5-F25 HydrophobicContact CD1-CD2 4.39Å; I5-F25 HydrophobicContact CD1-CG 4.34Å; I5-F25 HydrophobicContact CG1-CD2 4.17Å; I5-F25 HydrophobicContact CG1-CE2 4.48Å; I5-F25 HydrophobicContact CG2-CD2 4.22Å; I5-F25 HydrophobicContact CG2-CE2 4.03Å; P21-F25 HydrophobicContact CB-CD2 4.47Å; P21-F25 HydrophobicContact CB-CE2 3.84Å; P21-F25 HydrophobicContact CB-CZ 3.94Å; P21-F25 WeakPolarHBondContact O-CB 3.15Å; P21-F25 WeakPolarHBondContact O-CD1 3.21Å; P21-F25 WeakPolarHBondContact O-CD2 3.37Å; P21-F25 WeakPolarHBondContact O-CG 3.25Å; P21-F25 PolarHBondContact O-N 3.07Å; F25-A28 PolarHBondContact O-N 3.47Å; F25-G29 PolarHBondContact O-N 2.67Å; F25-H30 HydrophobicContact CB-CB 4.28Å; F25-H30 VanDerWaalsContact O-CB 3.32Å; F25-H30 WeakPolarHBondContact O-CB 3.3Å; F25-H30 PolarHBondContact O-N 3.07Å; F25-V32 HydrophobicContact CB-CG2 3.92Å; F25-V32 HydrophobicContact CD2-CG2 4.16Å; F25-L70 HydrophobicContact CE2-CD2 4.2Å; F25-F101 HydrophobicContact CE2-CD2 4.33Å; F25-F101 AromaticContact CZ-CD2 3.82Å; F25-F101 HydrophobicContact CZ-CD2 3.82Å; F25-F101 AromaticContact CZ-CE2 3.97Å; F25-F101 HydrophobicContact CZ-CE2 3.97Å; F25-A166 HydrophobicContact CE1-CB 3.76Å; F25-A166 HydrophobicContact CZ-CB 3.92Å; F25-L167 HydrophobicContact CD1-CD2 3.97Å; F25-L170 HydrophobicContact CD1-CD1 3.77Å; F25-L170 HydrophobicContact CE1-CD1 3.85Å; F25-L170 HydrophobicContact CG-CD1 4.41Å |
| 26 | R | 98.4 | Very high | 98.7 | Very high | 118 Ų | 118 | 36.4 Ų | 36.4 | 45% | 0.445 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.4 | -73.4 | 171.2 | -174.2 | 135.3 | 0.1 | 112.1 | A22 D23 E24 A28 G29 V32 | A22-R26 WeakPolarHBondContact O-CB 3.24Å; A22-R26 WeakPolarHBondContact O-CG 3.44Å; A22-R26 PolarHBondContact O-N 3.3Å; D23-R26 PolarHBondContact O-N 3.35Å; D23-R26 IonicContact OD1-NH1 2.85Å; E24-R26 PolarHBondContact O-N 2.93Å; R26-A28 PolarHBondContact O-N 2.9Å; R26-G29 WeakPolarHBondContact O-CA 3.26Å; R26-G29 PolarHBondContact O-N 3.5Å; R26-V32 HydrophobicContact CG-CG2 4.26Å |
| 27 | K | 98 | Very high | 98.7 | Very high | 153 Ų | 153 | 39.5 Ų | 39.5 | 67% | 0.665 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.6 | -35 | 174.7 | -74.3 | 171.3 | -166 | 166.2 | 0 | 112.2 | D23 E24 G29 | D23-K27 WeakPolarHBondContact O-CB 3.38Å; D23-K27 VanDerWaalsContact O-CG 3.25Å; D23-K27 WeakPolarHBondContact O-CG 3.3Å; D23-K27 PolarHBondContact O-N 3.06Å; E24-K27 PolarHBondContact O-N 3Å; E24-K27 IonicContact OE1-NZ 2.83Å; E24-K27 PolarHBondContact OE1-NZ 3.35Å; K27-G29 PolarHBondContact O-N 3.19Å |
| 28 | A | 98.2 | Very high | 98.6 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 35% | 0.347 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 0.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E24 F25 R26 L167 A172 | E24-A28 PolarHBondContact O-N 3.33Å; E24-A28 VanDerWaalsContact O-N 3.08Å; F25-A28 PolarHBondContact O-N 3.47Å; R26-A28 PolarHBondContact O-N 2.9Å; A28-L167 HydrophobicContact CB-CD2 3.64Å; A28-A172 HydrophobicContact CB-CB 3.74Å |
| 29 | G | 98 | Very high | 98.6 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 45% | 0.454 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 17.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2 F25 R26 K27 | S2-G29 VanDerWaalsContact CB-O 3.24Å; S2-G29 WeakPolarHBondContact CB-O 3.37Å; S2-G29 PolarHBondContact OG-O 3.32Å; F25-G29 PolarHBondContact O-N 2.67Å; R26-G29 WeakPolarHBondContact O-CA 3.26Å; R26-G29 PolarHBondContact O-N 3.5Å; K27-G29 PolarHBondContact O-N 3.19Å |
| 30 | H | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.065 | 26% | 0.262 | C | S | . | . | trans | -90.1 | 157.8 | 174.8 | -52.7 | -55.7 | 0 | 0 | 0 | 112.4 | K3 I5 F25 | K3-H30 PolarHBondContact N-ND1 3.33Å; K3-H30 WeakPolarHBondContact O-CB 3.37Å; I5-H30 HydrophobicContact CD1-CB 3.37Å; F25-H30 HydrophobicContact CB-CB 4.28Å; F25-H30 VanDerWaalsContact O-CB 3.32Å; F25-H30 WeakPolarHBondContact O-CB 3.3Å; F25-H30 PolarHBondContact O-N 3.07Å | ||
| 31 | E | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 48.6 Ų | 48.6 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.9 | 176.9 | -170.5 | -179.9 | -161.4 | 0 | 0 | 109.7 | K3 K4 I5 I33 | K3-E31 PolarHBondContact O-N 3.38Å; K4-E31 VanDerWaalsContact CE-OE2 3.3Å; K4-E31 WeakPolarHBondContact CE-OE2 3.26Å; K4-E31 HydrophobicContact CG-CB 4.41Å; K4-E31 WeakPolarHBondContact CG-OE2 3.42Å; I5-E31 WeakPolarHBondContact CD1-O 3.3Å; I5-E31 PolarHBondContact N-O 3.16Å; E31-I33 HydrophobicContact CG-CD1 3.7Å; E31-I33 HydrophobicContact CG-CG1 4.21Å; E31-I33 WeakPolarHBondContact OE1-CD1 3.43Å |
| 32 | V | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.2 | 178.5 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | V7 F18 A22 F25 R26 | V7-V32 HydrophobicContact CG2-CG1 3.48Å; V7-V32 VanDerWaalsContact CG2-CG1 3.48Å; F18-V32 HydrophobicContact CE2-CG1 4.24Å; A22-V32 HydrophobicContact CB-CG1 4.21Å; A22-V32 HydrophobicContact CB-CG2 4.28Å; F25-V32 HydrophobicContact CB-CG2 3.92Å; F25-V32 HydrophobicContact CD2-CG2 4.16Å; R26-V32 HydrophobicContact CG-CG2 4.26Å |
| 33 | I | 98.9 | Very high | 98.6 | Very high | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.092 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 114.8 | -177.6 | -56.3 | -59.2 | 0 | 0 | 0 | 109.3 | I5 A6 V7 E31 I35 D55 K56 F66 | I5-I33 PolarHBondContact O-N 3.32Å; A6-I33 CarbonylContact C-O 3.58Å; A6-I33 WeakPolarHBondContact CA-O 3.47Å; V7-I33 PolarHBondContact N-O 2.99Å; E31-I33 HydrophobicContact CG-CD1 3.7Å; E31-I33 HydrophobicContact CG-CG1 4.21Å; E31-I33 WeakPolarHBondContact OE1-CD1 3.43Å; I33-I35 HydrophobicContact CG2-CG1 4.39Å; I33-D55 HydrophobicContact CG2-CB 4.14Å; I33-K56 HydrophobicContact CG2-CB 4.42Å; I33-K56 HydrophobicContact CG2-CG 3.81Å; I33-F66 HydrophobicContact CB-CE1 3.79Å; I33-F66 HydrophobicContact CG1-CE1 4.06Å; I33-F66 HydrophobicContact CG2-CE1 3.86Å; I33-F66 HydrophobicContact CG2-CZ 4.32Å |
| 34 | T | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 134 | -179.7 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | V7 I9 F18 V52 T53 I54 D55 K56 | V7-T34 HydrophobicContact CB-CG2 4.33Å; I9-T34 HydrophobicContact CG2-CG2 4.09Å; F18-T34 HydrophobicContact CE2-CG2 3.72Å; F18-T34 HydrophobicContact CZ-CG2 4.01Å; T34-V52 HydrophobicContact CG2-CG1 3.7Å; T34-T53 PolarHBondContact OG1-O 2.81Å; T34-I54 WeakPolarHBondContact OG1-CA 3.34Å; T34-D55 PolarHBondContact N-OD2 3Å; T34-D55 PolarHBondContact O-N 3.21Å; T34-D55 VanDerWaalsContact O-N 3.1Å; T34-D55 PolarHBondContact OG1-N 3.47Å; T34-D55 PolarHBondContact OG1-OD2 2.97Å; T34-K56 PolarHBondContact O-N 3.01Å |
| 35 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.3 | -171.8 | -57.1 | 161.3 | 0 | 0 | 0 | 109 | A6 V7 L8 I9 I33 K56 I58 V61 F66 F89 | A6-I35 HydrophobicContact CB-CD1 3.7Å; V7-I35 PolarHBondContact O-N 2.84Å; L8-I35 HydrophobicContact CD2-CB 3.89Å; L8-I35 HydrophobicContact CD2-CD1 4.21Å; L8-I35 HydrophobicContact CD2-CG2 3.96Å; I9-I35 PolarHBondContact N-O 3.37Å; I33-I35 HydrophobicContact CG2-CG1 4.39Å; I35-K56 WeakPolarHBondContact CA-O 3.31Å; I35-K56 HydrophobicContact CG1-CB 4.26Å; I35-I58 HydrophobicContact CG2-CB 3.94Å; I35-I58 HydrophobicContact CG2-CD1 3.62Å; I35-I58 HydrophobicContact CG2-CG1 4.39Å; I35-V61 HydrophobicContact CD1-CG2 4.02Å; I35-V61 HydrophobicContact CG1-CG2 4.28Å; I35-V61 HydrophobicContact CG2-CG2 3.9Å; I35-F66 HydrophobicContact CD1-CE1 4.42Å; I35-F66 HydrophobicContact CD1-CE2 4.11Å; I35-F66 HydrophobicContact CD1-CZ 3.83Å; I35-F89 HydrophobicContact CD1-CE1 4.47Å; I35-F89 HydrophobicContact CD1-CE2 4.45Å; I35-F89 HydrophobicContact CD1-CZ 3.95Å |
| 36 | E | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | -152.5 | 174.4 | -158 | -107 | -174.8 | 0 | 0 | 109.6 | I9 T10 Q38 K41 I54 K56 S57 I58 | I9-E36 WeakPolarHBondContact O-CB 3.31Å; I9-E36 WeakPolarHBondContact O-CG 3.3Å; T10-E36 PolarHBondContact OG1-OE1 3.45Å; E36-Q38 PolarHBondContact OE2-N 2.79Å; E36-Q38 VanDerWaalsContact OE2-N 3.14Å; E36-K41 IonicContact OE1-NZ 3.65Å; E36-K41 PolarHBondContact OE1-NZ 2.93Å; E36-K41 WeakPolarHBondContact OE2-CD 3.42Å; E36-I54 HydrophobicContact CB-CB 4.25Å; E36-I54 HydrophobicContact CB-CD1 3.69Å; E36-I54 HydrophobicContact CB-CG1 3.64Å; E36-I54 HydrophobicContact CB-CG2 3.61Å; E36-I54 HydrophobicContact CG-CD1 4.43Å; E36-I54 HydrophobicContact CG-CG1 4.41Å; E36-K56 PolarHBondContact N-O 3.18Å; E36-S57 CarbonylContact O-C 3.5Å; E36-S57 WeakPolarHBondContact O-CA 3.38Å; E36-I58 WeakPolarHBondContact O-CB 3.31Å; E36-I58 PolarHBondContact O-N 3.08Å |
| 37 | K | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -86.7 | -26.3 | -179.9 | -61.1 | 175.8 | -178.3 | 172.4 | 0 | 111.6 | S57 D83 F86 | K37-S57 PolarHBondContact O-OG 3.26Å; K37-S57 VanDerWaalsContact O-OG 3.06Å; K37-D83 WeakPolarHBondContact CE-OD2 3.05Å; K37-F86 HydrophobicContact CG-CE2 3.94Å; K37-F86 HydrophobicContact CG-CZ 3.89Å |
| 38 | Q | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -139.2 | 117 | -177.1 | -176.5 | -177.2 | -24.7 | 0 | 0 | 111.8 | E36 K41 I54 | E36-Q38 PolarHBondContact OE2-N 2.79Å; E36-Q38 VanDerWaalsContact OE2-N 3.14Å; Q38-K41 HydrophobicContact CB-CB 4.44Å; Q38-K41 VanDerWaalsContact O-CB 3.27Å; Q38-K41 WeakPolarHBondContact O-CB 3.46Å; Q38-K41 PolarHBondContact O-N 3.15Å; Q38-I54 WeakPolarHBondContact O-CG2 3.44Å |
| 39 | A | 98.5 | Very high | 98.5 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 35% | 0.347 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 143.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | K41 | A39-K41 PolarHBondContact O-N 2.94Š|
| 40 | G | 98.5 | Very high | 98.6 | Very high | 56 Ų | 56 | 55.7 Ų | 55.7 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | -7.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | I54 | G40-I54 PolarHBondContact N-O 2.85Š|
| 41 | K | 98.5 | Very high | 98.6 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 142.3 | 170.4 | -176.8 | -174.8 | 171.8 | -166.5 | 0 | 109.3 | D11 E36 Q38 A39 V43 T53 I54 | D11-K41 VanDerWaalsContact OD2-CE 3.31Å; D11-K41 WeakPolarHBondContact OD2-CE 3.32Å; D11-K41 IonicContact OD2-NZ 3.41Å; D11-K41 PolarHBondContact OD2-NZ 2.79Å; E36-K41 IonicContact OE1-NZ 3.65Å; E36-K41 PolarHBondContact OE1-NZ 2.93Å; E36-K41 WeakPolarHBondContact OE2-CD 3.42Å; Q38-K41 HydrophobicContact CB-CB 4.44Å; Q38-K41 VanDerWaalsContact O-CB 3.27Å; Q38-K41 WeakPolarHBondContact O-CB 3.46Å; Q38-K41 PolarHBondContact O-N 3.15Å; A39-K41 PolarHBondContact O-N 2.94Å; K41-V43 HydrophobicContact CD-CG1 4.03Å; K41-V43 HydrophobicContact CG-CG1 4.32Å; K41-T53 CarbonylContact O-C 3.54Å; K41-T53 WeakPolarHBondContact O-CA 3.36Å; K41-I54 HydrophobicContact CB-CB 4.48Å; K41-I54 HydrophobicContact CB-CG1 4.25Å; K41-I54 WeakPolarHBondContact O-CG1 3.38Å; K41-I54 PolarHBondContact O-N 3.49Å |
| 42 | T | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 122.4 | 166.9 | -60.5 | 0 | 0 | 0 | 0 | 109.2 | V52 | T42-V52 CarbonylContact C-O 3.55Å; T42-V52 WeakPolarHBondContact CA-O 3.42Å |
| 43 | V | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.1 | 173.9 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | I9 D11 F13 K41 S51 V52 I54 | I9-V43 HydrophobicContact CG1-CG2 4.47Å; D11-V43 VanDerWaalsContact OD1-CA 3.28Å; D11-V43 WeakPolarHBondContact OD1-CA 3.42Å; F13-V43 HydrophobicContact CD1-CG2 4.41Å; F13-V43 HydrophobicContact CE1-CG2 4.09Å; K41-V43 HydrophobicContact CD-CG1 4.03Å; K41-V43 HydrophobicContact CG-CG1 4.32Å; V43-S51 WeakPolarHBondContact O-CA 3.32Å; V43-V52 HydrophobicContact CG2-CB 3.97Å; V43-V52 PolarHBondContact N-O 2.66Å; V43-V52 PolarHBondContact O-N 2.91Å; V43-I54 HydrophobicContact CG1-CD1 4.04Å; V43-I54 HydrophobicContact CG1-CG1 4Å; V43-I54 HydrophobicContact CG2-CD1 3.75Å; V43-I54 HydrophobicContact CG2-CG1 4.42Å |
| 44 | K | 98.8 | Very high | 98.6 | Very high | 124 Ų | 124 | 57.2 Ų | 57.2 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.3 | -178.6 | -66.4 | -170.6 | 176.5 | -174.8 | 0 | 111.9 | D11 E12 | D11-K44 PolarHBondContact OD1-N 2.92Å; E12-K44 PolarHBondContact N-O 3.41Å |
| 45 | G | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 157.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F13 D15 K47 G48 A50 | F13-G45 CarbonylContact O-C 3.47Å; F13-G45 VanDerWaalsContact O-CA 3.25Å; F13-G45 WeakPolarHBondContact O-CA 3.33Å; D15-G45 WeakPolarHBondContact OD1-CA 3.35Å; G45-K47 PolarHBondContact O-N 2.87Å; G45-G48 WeakPolarHBondContact O-CA 3.49Å; G45-G48 PolarHBondContact O-N 2.91Å; G45-A50 PolarHBondContact N-O 3.09Å |
| 46 | K | 98.4 | Very high | 98.5 | Very high | 105 Ų | 105 | 64.4 Ų | 64.4 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -33.1 | -176.5 | 176.7 | 174.4 | 175.2 | 163.6 | 0 | 112.8 | E12 F13 D15 H75 | E12-K46 HydrophobicContact CB-CB 4.46Å; F13-K46 WeakPolarHBondContact O-CB 3.2Å; F13-K46 PolarHBondContact O-N 3.04Å; D15-K46 PolarHBondContact OD2-N 3.4Å; K46-H75 PolarHBondContact NZ-NE2 3.47Å |
| 47 | K | 98 | Very high | 98.5 | Very high | 117 Ų | 117 | 64.9 Ų | 64.9 | 51% | 0.509 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.8 | 177.6 | -61.3 | 171.1 | 176.9 | 163.1 | 0 | 112.4 | E14 D15 G45 E49 | E14-K47 VanDerWaalsContact OE1-CE 3.25Å; E14-K47 WeakPolarHBondContact OE1-CE 3.4Å; E14-K47 IonicContact OE1-NZ 2.71Å; E14-K47 PolarHBondContact OE1-NZ 2.96Å; E14-K47 IonicContact OE2-NZ 2.71Å; D15-K47 VanDerWaalsContact OD2-CB 3.32Å; D15-K47 WeakPolarHBondContact OD2-CB 3.37Å; D15-K47 PolarHBondContact OD2-N 2.82Å; G45-K47 PolarHBondContact O-N 2.87Å; K47-E49 HydrophobicContact CB-CG 3.99Å; K47-E49 PolarHBondContact O-N 3.39Å |
| 48 | G | 97.5 | Very high | 98.6 | Very high | 52 Ų | 52 | 60.9 Ų | 60.9 | 54% | 0.536 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 71.5 | 16.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D15 G45 | D15-G48 PolarHBondContact OD1-N 3.44Å; G45-G48 WeakPolarHBondContact O-CA 3.49Å; G45-G48 PolarHBondContact O-N 2.91Å |
| 49 | E | 98.2 | Very high | 98.6 | Very high | 158 Ų | 158 | 59.8 Ų | 59.8 | 74% | 0.738 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -88.5 | -28.3 | -179.8 | -62.7 | 179.5 | 157.2 | 0 | 0 | 111.3 | D15 K47 | D15-E49 HydrophobicContact CB-CB 4.35Å; D15-E49 WeakPolarHBondContact OD1-CA 3.38Å; D15-E49 PolarHBondContact OD1-N 3.36Å; K47-E49 HydrophobicContact CB-CG 3.99Å; K47-E49 PolarHBondContact O-N 3.39Å |
| 50 | A | 98.3 | Very high | 98.6 | Very high | 9 Ų | 9 | 62 Ų | 62 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | trans | -113.3 | 140.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F13 D15 T19 G45 | F13-A50 HydrophobicContact CE2-CB 4.01Å; F13-A50 HydrophobicContact CZ-CB 3.83Å; D15-A50 HydrophobicContact CB-CB 3.91Å; D15-A50 PolarHBondContact OD1-N 3.17Å; T19-A50 HydrophobicContact CG2-CB 3.78Å; G45-A50 PolarHBondContact N-O 3.09Å | ||
| 51 | S | 98.5 | Very high | 98.6 | Very high | 77 Ų | 77 | 60 Ų | 60 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.3 | 167.9 | -66.9 | 0 | 0 | 0 | 0 | 108.8 | V43 | V43-S51 WeakPolarHBondContact O-CA 3.32Å |
| 52 | V | 98.7 | Very high | 98.6 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.5 | -170.8 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | I9 F13 F18 T34 T42 V43 | I9-V52 HydrophobicContact CD1-CG2 4.47Å; F13-V52 HydrophobicContact CE1-CG2 4.02Å; F13-V52 HydrophobicContact CE2-CG2 4.29Å; F13-V52 HydrophobicContact CZ-CB 4.47Å; F13-V52 HydrophobicContact CZ-CG2 3.51Å; F18-V52 HydrophobicContact CD1-CG2 3.43Å; F18-V52 VanDerWaalsContact CD1-CG2 3.43Å; F18-V52 HydrophobicContact CE1-CB 4.23Å; F18-V52 HydrophobicContact CE1-CG1 3.87Å; F18-V52 HydrophobicContact CE1-CG2 3.27Å; F18-V52 HydrophobicContact CE2-CG1 4.22Å; F18-V52 HydrophobicContact CG-CG2 4.22Å; F18-V52 HydrophobicContact CZ-CB 4.48Å; F18-V52 HydrophobicContact CZ-CG1 3.64Å; F18-V52 HydrophobicContact CZ-CG2 3.95Å; T34-V52 HydrophobicContact CG2-CG1 3.7Å; T42-V52 CarbonylContact C-O 3.55Å; T42-V52 WeakPolarHBondContact CA-O 3.42Å; V43-V52 HydrophobicContact CG2-CB 3.97Å; V43-V52 PolarHBondContact N-O 2.66Å; V43-V52 PolarHBondContact O-N 2.91Å |
| 53 | T | 98.8 | Very high | 98.6 | Very high | 80 Ų | 80 | 58.2 Ų | 58.2 | 49% | 0.491 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.5 | 170.1 | -61.5 | 0 | 0 | 0 | 0 | 109 | T34 K41 | T34-T53 PolarHBondContact OG1-O 2.81Å; K41-T53 CarbonylContact O-C 3.54Å; K41-T53 WeakPolarHBondContact O-CA 3.36Å |
| 54 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | trans | -77.1 | 120.6 | 175.2 | -59.9 | -53.4 | 0 | 0 | 0 | 109.3 | I9 T34 E36 Q38 G40 K41 V43 K56 | I9-I54 HydrophobicContact CG2-CD1 3.88Å; T34-I54 WeakPolarHBondContact OG1-CA 3.34Å; E36-I54 HydrophobicContact CB-CB 4.25Å; E36-I54 HydrophobicContact CB-CD1 3.69Å; E36-I54 HydrophobicContact CB-CG1 3.64Å; E36-I54 HydrophobicContact CB-CG2 3.61Å; E36-I54 HydrophobicContact CG-CD1 4.43Å; E36-I54 HydrophobicContact CG-CG1 4.41Å; Q38-I54 WeakPolarHBondContact O-CG2 3.44Å; G40-I54 PolarHBondContact N-O 2.85Å; K41-I54 HydrophobicContact CB-CB 4.48Å; K41-I54 HydrophobicContact CB-CG1 4.25Å; K41-I54 WeakPolarHBondContact O-CG1 3.38Å; K41-I54 PolarHBondContact O-N 3.49Å; V43-I54 HydrophobicContact CG1-CD1 4.04Å; V43-I54 HydrophobicContact CG1-CG1 4Å; V43-I54 HydrophobicContact CG2-CD1 3.75Å; V43-I54 HydrophobicContact CG2-CG1 4.42Å; I54-K56 WeakPolarHBondContact CG2-O 3.37Å | ||
| 55 | D | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | trans | -76.9 | -37.7 | -178.8 | -58 | -59.8 | 0 | 0 | 0 | 111.8 | I33 T34 | I33-D55 HydrophobicContact CG2-CB 4.14Å; T34-D55 PolarHBondContact N-OD2 3Å; T34-D55 PolarHBondContact O-N 3.21Å; T34-D55 VanDerWaalsContact O-N 3.1Å; T34-D55 PolarHBondContact OG1-N 3.47Å; T34-D55 PolarHBondContact OG1-OD2 2.97Å | ||
| 56 | K | 98.9 | Very high | 98.5 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 143 | -170 | -68.3 | -65.2 | -172.9 | 175.6 | 0 | 113.3 | I33 T34 I35 E36 I54 E60 V61 | I33-K56 HydrophobicContact CG2-CB 4.42Å; I33-K56 HydrophobicContact CG2-CG 3.81Å; T34-K56 PolarHBondContact O-N 3.01Å; I35-K56 WeakPolarHBondContact CA-O 3.31Å; I35-K56 HydrophobicContact CG1-CB 4.26Å; E36-K56 PolarHBondContact N-O 3.18Å; I54-K56 WeakPolarHBondContact CG2-O 3.37Å; K56-E60 WeakPolarHBondContact CA-OE1 3.44Å; K56-E60 HydrophobicContact CB-CG 4.37Å; K56-E60 HydrophobicContact CD-CG 4Å; K56-E60 WeakPolarHBondContact CD-OE1 3.37Å; K56-E60 VanDerWaalsContact CD-OE2 3.25Å; K56-E60 WeakPolarHBondContact CD-OE2 3.34Å; K56-E60 IonicContact NZ-OE2 3.52Å; K56-E60 PolarHBondContact NZ-OE2 2.74Å; K56-V61 HydrophobicContact CB-CG1 3.65Å; K56-V61 HydrophobicContact CD-CG1 4.06Å; K56-V61 HydrophobicContact CG-CG1 3.74Å |
| 57 | S | 98.8 | Very high | 98.6 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 145.4 | 160 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | E36 K37 D59 E60 | E36-S57 CarbonylContact O-C 3.5Å; E36-S57 WeakPolarHBondContact O-CA 3.38Å; K37-S57 PolarHBondContact O-OG 3.26Å; K37-S57 VanDerWaalsContact O-OG 3.06Å; S57-D59 PolarHBondContact O-N 3.37Å; S57-D59 VanDerWaalsContact O-N 3.16Å; S57-D59 PolarHBondContact OG-N 2.94Å; S57-D59 PolarHBondContact OG-OD2 2.94Å; S57-E60 PolarHBondContact N-OE1 2.94Å; S57-E60 WeakPolarHBondContact O-CG 3.47Å; S57-E60 PolarHBondContact O-N 3.33Å; S57-E60 VanDerWaalsContact O-N 3.13Å |
| 58 | I | 98.9 | Very high | 98.6 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -59.2 | -23.4 | 173.2 | -167.6 | 63.8 | 0 | 0 | 0 | 111.8 | L8 I35 E36 E60 V61 R85 F86 F89 | L8-I58 HydrophobicContact CD2-CD1 4Å; I35-I58 HydrophobicContact CG2-CB 3.94Å; I35-I58 HydrophobicContact CG2-CD1 3.62Å; I35-I58 HydrophobicContact CG2-CG1 4.39Å; E36-I58 WeakPolarHBondContact O-CB 3.31Å; E36-I58 PolarHBondContact O-N 3.08Å; I58-E60 VanDerWaalsContact C-N 3.34Å; I58-V61 HydrophobicContact CD1-CG2 4.49Å; I58-R85 HydrophobicContact CG1-CB 3.87Å; I58-R85 HydrophobicContact CG2-CB 4.04Å; I58-F86 HydrophobicContact CB-CE1 3.99Å; I58-F86 HydrophobicContact CB-CZ 3.94Å; I58-F86 HydrophobicContact CD1-CD1 4.05Å; I58-F86 HydrophobicContact CD1-CE1 4.16Å; I58-F86 HydrophobicContact CG1-CD1 4.18Å; I58-F86 HydrophobicContact CG1-CE1 4.07Å; I58-F86 HydrophobicContact CG1-CG 4.48Å; I58-F86 HydrophobicContact CG1-CZ 4.29Å; I58-F86 HydrophobicContact CG2-CE1 4.45Å; I58-F86 HydrophobicContact CG2-CE2 4.13Å; I58-F86 HydrophobicContact CG2-CZ 3.9Å; I58-F89 HydrophobicContact CD1-CB 3.91Å; I58-F89 HydrophobicContact CD1-CD2 3.78Å; I58-F89 HydrophobicContact CD1-CE2 4.49Å; I58-F89 HydrophobicContact CD1-CG 3.89Å |
| 59 | D | 98.7 | Very high | 98.7 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -79.9 | -13.5 | -179.8 | -56.4 | -47.2 | 0 | 0 | 0 | 113.3 | S57 R85 | S57-D59 PolarHBondContact O-N 3.37Å; S57-D59 VanDerWaalsContact O-N 3.16Å; S57-D59 PolarHBondContact OG-N 2.94Å; S57-D59 PolarHBondContact OG-OD2 2.94Å; D59-R85 WeakPolarHBondContact OD1-CD 3.42Å; D59-R85 IonicContact OD1-CZ 3.67Å; D59-R85 IonicContact OD1-NE 2.79Å; D59-R85 IonicContact OD1-NH1 3.73Å; D59-R85 PolarHBondContact OD1-NH1 3.35Å; D59-R85 IonicContact OD2-NH1 3.77Å; D59-R85 PolarHBondContact OD2-NH1 3.38Å |
| 60 | E | 98.3 | Very high | 98.7 | Very high | 87 Ų | 87 | 42.3 Ų | 42.3 | 41% | 0.407 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -111.1 | 8.6 | -176.7 | 62.2 | 167.7 | 141.8 | 0 | 0 | 113.8 | K56 S57 I58 | K56-E60 WeakPolarHBondContact CA-OE1 3.44Å; K56-E60 HydrophobicContact CB-CG 4.37Å; K56-E60 HydrophobicContact CD-CG 4Å; K56-E60 WeakPolarHBondContact CD-OE1 3.37Å; K56-E60 VanDerWaalsContact CD-OE2 3.25Å; K56-E60 WeakPolarHBondContact CD-OE2 3.34Å; K56-E60 IonicContact NZ-OE2 3.52Å; K56-E60 PolarHBondContact NZ-OE2 2.74Å; S57-E60 PolarHBondContact N-OE1 2.94Å; S57-E60 WeakPolarHBondContact O-CG 3.47Å; S57-E60 PolarHBondContact O-N 3.33Å; S57-E60 VanDerWaalsContact O-N 3.13Å; I58-E60 VanDerWaalsContact C-N 3.34Å |
| 61 | V | 98.7 | Very high | 98.7 | Very high | 16 Ų | 16 | 42 Ų | 42 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | trans | -130.6 | 157.1 | -176.6 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | I35 K56 I58 E65 F66 F89 | I35-V61 HydrophobicContact CD1-CG2 4.02Å; I35-V61 HydrophobicContact CG1-CG2 4.28Å; I35-V61 HydrophobicContact CG2-CG2 3.9Å; K56-V61 HydrophobicContact CB-CG1 3.65Å; K56-V61 HydrophobicContact CD-CG1 4.06Å; K56-V61 HydrophobicContact CG-CG1 3.74Å; I58-V61 HydrophobicContact CD1-CG2 4.49Å; V61-E65 WeakPolarHBondContact CA-OE1 3.35Å; V61-E65 VanDerWaalsContact CB-OE1 3.32Å; V61-E65 WeakPolarHBondContact CB-OE1 3.45Å; V61-F66 HydrophobicContact CB-CE2 3.98Å; V61-F66 HydrophobicContact CB-CZ 4.05Å; V61-F66 HydrophobicContact CG1-CE2 4.44Å; V61-F66 HydrophobicContact CG1-CZ 4Å; V61-F89 HydrophobicContact CG2-CE2 3.98Å | ||
| 62 | T | 98.5 | Very high | 98.7 | Very high | 69 Ų | 69 | 38.3 Ų | 38.3 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | trans | -131.9 | 151 | 174 | 77.9 | 0 | 0 | 0 | 0 | 111.4 | A64 E65 F66 | T62-A64 PolarHBondContact O-N 3.21Å; T62-A64 PolarHBondContact OG1-N 3.46Å; T62-E65 PolarHBondContact N-OE1 3.33Å; T62-E65 WeakPolarHBondContact O-CG 3.05Å; T62-E65 PolarHBondContact O-N 2.9Å; T62-E65 WeakPolarHBondContact OG1-CG 3.25Å; T62-F66 WeakPolarHBondContact O-CD2 3.49Å; T62-F66 VanDerWaalsContact O-CE2 3.25Å; T62-F66 WeakPolarHBondContact O-CE2 3.35Å | ||
| 63 | P | 98.7 | Very high | 98.7 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 14% | 0.143 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -55.9 | -22.8 | 175 | -28.7 | 36.8 | 0 | 0 | 0 | 114.4 | E65 F89 D92 F93 K98 | P63-E65 VanDerWaalsContact C-N 3.26Å; P63-E65 PolarHBondContact O-N 2.87Å; P63-F89 HydrophobicContact CG-CD1 4.47Å; P63-F89 HydrophobicContact CG-CD2 3.8Å; P63-F89 HydrophobicContact CG-CE2 3.89Å; P63-F89 HydrophobicContact CG-CG 4.11Å; P63-F89 HydrophobicContact CG-CZ 4.27Å; P63-D92 HydrophobicContact CG-CB 3.95Å; P63-F93 HydrophobicContact CB-CB 4.34Å; P63-F93 HydrophobicContact CB-CD2 3.68Å; P63-F93 HydrophobicContact CB-CE2 4.33Å; P63-F93 HydrophobicContact CB-CG 4.3Å; P63-F93 HydrophobicContact CG-CD2 4.4Å; P63-K98 PolarHBondContact O-NZ 3.01Å |
| 64 | A | 98.5 | Very high | 98.7 | Very high | 80 Ų | 80 | 34.3 Ų | 34.3 | 66% | 0.661 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -65.2 | -29.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T62 F66 K98 | T62-A64 PolarHBondContact O-N 3.21Å; T62-A64 PolarHBondContact OG1-N 3.46Å; A64-F66 VanDerWaalsContact C-N 3.29Å; A64-F66 PolarHBondContact O-N 3.38Å; A64-K98 PolarHBondContact O-NZ 3.16Å; A64-K98 VanDerWaalsContact O-NZ 3.12Å |
| 65 | E | 98.4 | Very high | 98.7 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -77.7 | -12.5 | -172.4 | -46.3 | 177.9 | -65.4 | 0 | 0 | 114.3 | V61 T62 P63 | V61-E65 WeakPolarHBondContact CA-OE1 3.35Å; V61-E65 VanDerWaalsContact CB-OE1 3.32Å; V61-E65 WeakPolarHBondContact CB-OE1 3.45Å; T62-E65 PolarHBondContact N-OE1 3.33Å; T62-E65 WeakPolarHBondContact O-CG 3.05Å; T62-E65 PolarHBondContact O-N 2.9Å; T62-E65 WeakPolarHBondContact OG1-CG 3.25Å; P63-E65 VanDerWaalsContact C-N 3.26Å; P63-E65 PolarHBondContact O-N 2.87Å |
| 66 | F | 98.8 | Very high | 98.7 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.022 | 19% | 0.188 | C | C | . | . | trans | -116.4 | 153.9 | -172 | -53.8 | -81.5 | 0 | 0 | 0 | 111 | K4 A6 I33 I35 V61 T62 A64 F89 F93 K98 | K4-F66 HydrophobicContact CB-CD1 4.1Å; A6-F66 HydrophobicContact CB-CB 4.11Å; A6-F66 HydrophobicContact CB-CD1 3.72Å; A6-F66 HydrophobicContact CB-CD2 3.93Å; A6-F66 HydrophobicContact CB-CE1 4.1Å; A6-F66 HydrophobicContact CB-CE2 4.29Å; A6-F66 HydrophobicContact CB-CG 3.64Å; A6-F66 HydrophobicContact CB-CZ 4.37Å; I33-F66 HydrophobicContact CB-CE1 3.79Å; I33-F66 HydrophobicContact CG1-CE1 4.06Å; I33-F66 HydrophobicContact CG2-CE1 3.86Å; I33-F66 HydrophobicContact CG2-CZ 4.32Å; I35-F66 HydrophobicContact CD1-CE1 4.42Å; I35-F66 HydrophobicContact CD1-CE2 4.11Å; I35-F66 HydrophobicContact CD1-CZ 3.83Å; V61-F66 HydrophobicContact CB-CE2 3.98Å; V61-F66 HydrophobicContact CB-CZ 4.05Å; V61-F66 HydrophobicContact CG1-CE2 4.44Å; V61-F66 HydrophobicContact CG1-CZ 4Å; T62-F66 WeakPolarHBondContact O-CD2 3.49Å; T62-F66 VanDerWaalsContact O-CE2 3.25Å; T62-F66 WeakPolarHBondContact O-CE2 3.35Å; A64-F66 VanDerWaalsContact C-N 3.29Å; A64-F66 PolarHBondContact O-N 3.38Å; F66-F89 AromaticContact CD2-CZ 3.92Å; F66-F89 HydrophobicContact CD2-CZ 3.92Å; F66-F89 HydrophobicContact CE2-CE2 4.22Å; F66-F89 AromaticContact CE2-CZ 3.87Å; F66-F89 HydrophobicContact CE2-CZ 3.87Å; F66-F93 HydrophobicContact CB-CE2 3.76Å; F66-F93 HydrophobicContact CB-CZ 3.88Å; F66-F93 HydrophobicContact CD2-CE2 4.35Å; F66-F93 HydrophobicContact CG-CE2 4.44Å; F66-K98 WeakPolarHBondContact O-CD 3.36Å; F66-K98 WeakPolarHBondContact O-CE 3.46Å; F66-K98 PolarHBondContact O-NZ 2.71Å | ||
| 67 | D | 98.7 | Very high | 98.7 | Very high | 55 Ų | 55 | 30.4 Ų | 30.4 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -90.6 | -31 | 176 | -68.5 | -92.4 | 0 | 0 | 0 | 112.5 | K3 K4 P99 | K3-D67 VanDerWaalsContact CA-OD2 3.25Å; K3-D67 WeakPolarHBondContact CA-OD2 3.41Å; K3-D67 HydrophobicContact CB-CB 3.81Å; K3-D67 HydrophobicContact CD-CB 3.86Å; K3-D67 HydrophobicContact CG-CB 4.06Å; K3-D67 IonicContact NZ-OD1 2.83Å; K3-D67 PolarHBondContact NZ-OD1 2.89Å; K4-D67 PolarHBondContact N-OD2 3.46Å; K4-D67 PolarHBondContact O-N 2.95Å; D67-P99 WeakPolarHBondContact O-CD 3.18Å |
| 68 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 166.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K4 I5 A6 F93 P99 F101 L170 | K4-A68 PolarHBondContact O-N 3.43Å; I5-A68 WeakPolarHBondContact CA-O 3.28Å; I5-A68 HydrophobicContact CG1-CB 4.28Å; A6-A68 PolarHBondContact N-O 2.92Å; A68-F93 VanDerWaalsContact C-CE1 3.5Å; A68-F93 VanDerWaalsContact O-CZ 3.3Å; A68-F93 WeakPolarHBondContact O-CZ 3.34Å; A68-P99 VanDerWaalsContact CA-O 3.3Å; A68-P99 WeakPolarHBondContact CA-O 3.34Å; A68-P99 HydrophobicContact CB-CB 4.13Å; A68-F101 HydrophobicContact CB-CD2 4.46Å; A68-F101 HydrophobicContact CB-CE2 3.49Å; A68-F101 VanDerWaalsContact CB-CE2 3.49Å; A68-F101 HydrophobicContact CB-CZ 3.6Å; A68-L170 HydrophobicContact CB-CD2 3.75Å |
| 69 | L | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.7 | 179.3 | 169.2 | 60.2 | 0 | 0 | 0 | 110.7 | A6 L8 L71 F89 F93 P99 V100 F101 | A6-L69 HydrophobicContact CB-CD1 4.01Å; A6-L69 CarbonylContact O-C 3.6Å; A6-L69 WeakPolarHBondContact O-CA 3.41Å; L8-L69 HydrophobicContact CD1-CD1 4.48Å; L8-L69 HydrophobicContact CG-CD1 3.91Å; L69-L71 HydrophobicContact CD1-CD2 3.83Å; L69-L71 HydrophobicContact CD1-CG 4.43Å; L69-L71 HydrophobicContact CD2-CD1 4.44Å; L69-L71 HydrophobicContact CD2-CD2 4.05Å; L69-L71 HydrophobicContact CD2-CG 4.3Å; L69-L71 HydrophobicContact CG-CD2 3.94Å; L69-L71 HydrophobicContact CG-CG 4.08Å; L69-F89 HydrophobicContact CD1-CE1 4.26Å; L69-F93 HydrophobicContact CB-CD1 3.68Å; L69-F93 HydrophobicContact CB-CD2 3.98Å; L69-F93 HydrophobicContact CB-CE1 3.66Å; L69-F93 HydrophobicContact CB-CE2 3.95Å; L69-F93 HydrophobicContact CB-CG 3.86Å; L69-F93 HydrophobicContact CB-CZ 3.82Å; L69-F93 HydrophobicContact CD2-CB 3.91Å; L69-F93 HydrophobicContact CD2-CD1 4.36Å; L69-F93 HydrophobicContact CD2-CD2 4.22Å; L69-F93 HydrophobicContact CD2-CG 3.91Å; L69-P99 PolarHBondContact N-O 2.83Å; L69-P99 VanDerWaalsContact N-O 3.09Å; L69-V100 HydrophobicContact CB-CG1 4.37Å; L69-V100 HydrophobicContact CB-CG2 4.26Å; L69-V100 HydrophobicContact CD2-CG1 4.21Å; L69-V100 HydrophobicContact CG-CG1 4.25Å; L69-V100 CarbonylContact O-C 3.57Å; L69-V100 WeakPolarHBondContact O-CA 3.39Å; L69-F101 PolarHBondContact O-N 2.97Å |
| 70 | L | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 133.6 | 169.4 | 175.7 | 66.9 | 0 | 0 | 0 | 110.4 | I5 A6 V7 L8 P21 F25 F101 F162 | I5-L70 HydrophobicContact CG2-CB 4.03Å; A6-L70 PolarHBondContact O-N 3.21Å; V7-L70 WeakPolarHBondContact CA-O 3.34Å; V7-L70 HydrophobicContact CG1-CB 4.22Å; V7-L70 HydrophobicContact CG1-CD2 3.99Å; V7-L70 HydrophobicContact CG1-CG 4.15Å; V7-L70 HydrophobicContact CG2-CB 4.12Å; V7-L70 HydrophobicContact CG2-CD2 4.13Å; L8-L70 PolarHBondContact N-O 2.85Å; P21-L70 HydrophobicContact CB-CD1 4.21Å; P21-L70 HydrophobicContact CB-CD2 3.93Å; P21-L70 HydrophobicContact CG-CD1 4.37Å; P21-L70 HydrophobicContact CG-CD2 4.48Å; F25-L70 HydrophobicContact CE2-CD2 4.2Å; L70-F101 CarbonylContact C-O 3.55Å; L70-F101 WeakPolarHBondContact CA-O 3.46Å; L70-F101 HydrophobicContact CD1-CB 4.11Å; L70-F162 HydrophobicContact CD1-CE1 3.73Å; L70-F162 HydrophobicContact CD1-CZ 3.69Å |
| 71 | L | 99 | Very high | 98.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 89.5 | 176.5 | -59.1 | 178.9 | 0 | 0 | 0 | 108.9 | L8 L69 T90 V100 F101 A102 I103 G106 L109 L110 | L8-L71 HydrophobicContact CB-CD2 3.86Å; L8-L71 HydrophobicContact CD1-CD2 4Å; L8-L71 HydrophobicContact CG-CD2 4.06Å; L69-L71 HydrophobicContact CD1-CD2 3.83Å; L69-L71 HydrophobicContact CD1-CG 4.43Å; L69-L71 HydrophobicContact CD2-CD1 4.44Å; L69-L71 HydrophobicContact CD2-CD2 4.05Å; L69-L71 HydrophobicContact CD2-CG 4.3Å; L69-L71 HydrophobicContact CG-CD2 3.94Å; L69-L71 HydrophobicContact CG-CG 4.08Å; L71-T90 HydrophobicContact CD1-CG2 4.26Å; L71-V100 HydrophobicContact CD1-CG1 4.06Å; L71-V100 HydrophobicContact CG-CG1 4.47Å; L71-F101 PolarHBondContact N-O 3.16Å; L71-A102 HydrophobicContact CB-CB 3.91Å; L71-A102 HydrophobicContact CD1-CB 4.13Å; L71-A102 HydrophobicContact CG-CB 4.5Å; L71-I103 PolarHBondContact O-N 3.06Å; L71-G106 WeakPolarHBondContact O-CA 3.48Å; L71-L109 HydrophobicContact CD1-CB 4.18Å; L71-L109 HydrophobicContact CD2-CD1 3.79Å; L71-L110 HydrophobicContact CD1-CD2 3.86Å; L71-L110 HydrophobicContact CD1-CG 4.12Å |
| 72 | P | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | trans | -68.1 | 154.8 | 174.4 | 30.9 | -33.8 | 0 | 0 | 0 | 110.5 | V7 I9 E17 P77 | V7-P72 HydrophobicContact CG1-CG 4.27Å; I9-P72 HydrophobicContact CB-CG 4.29Å; I9-P72 HydrophobicContact CD1-CG 4.19Å; I9-P72 HydrophobicContact CG1-CG 4.14Å; E17-P72 HydrophobicContact CB-CB 4.13Å; P72-P77 WeakPolarHBondContact O-CG 3.27Å | ||
| 73 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -86.1 | -137.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F13 E14 E17 P77 I103 | F13-G73 WeakPolarHBondContact CA-O 3.39Å; E14-G73 PolarHBondContact N-O 3.21Å; E17-G73 WeakPolarHBondContact OE2-CA 3.43Å; E17-G73 PolarHBondContact OE2-N 3.12Å; G73-P77 WeakPolarHBondContact O-CD 3.43Å; G73-I103 PolarHBondContact N-O 3.27Å | ||
| 74 | G | 98.5 | Very high | 98.7 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | 73.6 | -149 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E12 H105 | E12-G74 CarbonylContact O-C 3.57Å; G74-H105 WeakPolarHBondContact O-CB 3.46Å |
| 75 | H | 98.7 | Very high | 98.8 | Very high | 71 Ų | 71 | 38 Ų | 38 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -11 | 172.9 | -63.6 | -62.8 | 0 | 0 | 0 | 112.9 | E12 K46 D78 Y79 | E12-H75 HydrophobicContact CB-CB 3.88Å; E12-H75 PolarHBondContact O-N 3.13Å; K46-H75 PolarHBondContact NZ-NE2 3.47Å; H75-D78 WeakPolarHBondContact O-CB 3.48Å; H75-D78 PolarHBondContact O-N 2.79Å; H75-Y79 HydrophobicContact CB-CE2 4.02Å; H75-Y79 PolarHBondContact O-N 2.84Å |
| 76 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -49.5 | -48.5 | 177.4 | 165.5 | 0 | 0 | 0 | 0 | 113.6 | T10 E12 D78 Y79 L80 | T10-S76 PolarHBondContact N-OG 2.8Å; E12-S76 PolarHBondContact O-N 3.2Å; S76-D78 VanDerWaalsContact C-N 3.28Å; S76-D78 PolarHBondContact O-N 3.42Å; S76-Y79 PolarHBondContact O-N 2.7Å; S76-L80 WeakPolarHBondContact O-CG 3.5Å; S76-L80 PolarHBondContact O-N 3.32Å |
| 77 | P | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -33.4 | 176.7 | -27.6 | 37.1 | 0 | 0 | 0 | 114.6 | P72 G73 L80 R81 H105 Q108 | P72-P77 WeakPolarHBondContact O-CG 3.27Å; G73-P77 WeakPolarHBondContact O-CD 3.43Å; P77-L80 PolarHBondContact O-N 2.77Å; P77-R81 WeakPolarHBondContact O-CB 3.41Å; P77-R81 WeakPolarHBondContact O-CD 3.46Å; P77-R81 WeakPolarHBondContact O-CG 3.42Å; P77-R81 PolarHBondContact O-N 2.8Å; P77-H105 WeakPolarHBondContact CB-O 3.26Å; P77-H105 HydrophobicContact CG-CB 4.13Å; P77-Q108 HydrophobicContact CB-CB 4.08Å |
| 78 | D | 98.8 | Very high | 98.8 | Very high | 86 Ų | 86 | 33.9 Ų | 33.9 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66 | -42.1 | 177.3 | -169 | 68.6 | 0 | 0 | 0 | 111.3 | H75 S76 R81 | H75-D78 WeakPolarHBondContact O-CB 3.48Å; H75-D78 PolarHBondContact O-N 2.79Å; S76-D78 VanDerWaalsContact C-N 3.28Å; S76-D78 PolarHBondContact O-N 3.42Å; D78-R81 WeakPolarHBondContact O-CG 3.33Å |
| 79 | Y | 98.7 | Very high | 98.8 | Very high | 111 Ų | 111 | 34.4 Ų | 34.4 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 176.1 | -61.6 | -33.2 | 0 | 0 | 0 | 113.4 | T10 D11 E12 H75 S76 | T10-Y79 HydrophobicContact CG2-CD2 4.03Å; T10-Y79 HydrophobicContact CG2-CG 4.38Å; D11-Y79 WeakPolarHBondContact O-CD2 3.17Å; E12-Y79 HydrophobicContact CB-CE2 4.12Å; E12-Y79 HydrophobicContact CG-CE2 4.29Å; E12-Y79 VanDerWaalsContact OE2-CE2 3.29Å; E12-Y79 WeakPolarHBondContact OE2-CE2 3.44Å; E12-Y79 VanDerWaalsContact OE2-CZ 3.26Å; E12-Y79 PolarHBondContact OE2-OH 3.12Å; H75-Y79 HydrophobicContact CB-CE2 4.02Å; H75-Y79 PolarHBondContact O-N 2.84Å; S76-Y79 PolarHBondContact O-N 2.7Å |
| 80 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -77.9 | -36.3 | -177.5 | -65.2 | -178.7 | 0 | 0 | 0 | 112.5 | L8 T10 S76 P77 G82 D83 F86 L109 | L8-L80 HydrophobicContact CB-CD1 4.02Å; T10-L80 HydrophobicContact CG2-CD1 4.36Å; T10-L80 HydrophobicContact CG2-CD2 3.75Å; T10-L80 HydrophobicContact CG2-CG 3.74Å; S76-L80 WeakPolarHBondContact O-CG 3.5Å; S76-L80 PolarHBondContact O-N 3.32Å; P77-L80 PolarHBondContact O-N 2.77Å; L80-G82 PolarHBondContact O-N 2.99Å; L80-G82 VanDerWaalsContact O-N 3.16Å; L80-D83 PolarHBondContact O-N 3.47Å; L80-F86 HydrophobicContact CB-CB 4.24Å; L80-F86 HydrophobicContact CB-CD1 4.4Å; L80-F86 HydrophobicContact CB-CG 4.12Å; L80-F86 HydrophobicContact CD1-CD1 4.23Å; L80-F86 HydrophobicContact CD2-CD1 3.84Å; L80-F86 HydrophobicContact CD2-CD2 4.05Å; L80-F86 HydrophobicContact CD2-CE1 3.66Å; L80-F86 HydrophobicContact CD2-CE2 3.88Å; L80-F86 HydrophobicContact CD2-CG 4.03Å; L80-F86 HydrophobicContact CD2-CZ 3.68Å; L80-F86 HydrophobicContact CG-CD1 4.38Å; L80-L109 HydrophobicContact CB-CD1 4.3Å; L80-L109 HydrophobicContact CB-CD2 4.15Å; L80-L109 HydrophobicContact CD1-CD1 4.41Å |
| 81 | R | 98.7 | Very high | 98.8 | Very high | 57 Ų | 57 | 38.1 Ų | 38.1 | 22% | 0.215 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -12.4 | -175.2 | 75.4 | -172.6 | -60.7 | -159.4 | -3.7 | 114.4 | P77 D78 D83 V87 Q108 L109 S112 | P77-R81 WeakPolarHBondContact O-CB 3.41Å; P77-R81 WeakPolarHBondContact O-CD 3.46Å; P77-R81 WeakPolarHBondContact O-CG 3.42Å; P77-R81 PolarHBondContact O-N 2.8Å; D78-R81 WeakPolarHBondContact O-CG 3.33Å; R81-D83 VanDerWaalsContact C-N 3.29Å; R81-V87 WeakPolarHBondContact O-CG2 3.21Å; R81-Q108 PolarHBondContact NE-O 2.78Å; R81-Q108 PolarHBondContact NH2-O 2.8Å; R81-L109 HydrophobicContact CB-CD2 3.9Å; R81-L109 HydrophobicContact CB-CG 4.46Å; R81-S112 PolarHBondContact NE-OG 3.28Å; R81-S112 PolarHBondContact NH2-OG 3.14Å; R81-S112 VanDerWaalsContact NH2-OG 3.1Å |
| 82 | G | 98.4 | Very high | 98.8 | Very high | 74 Ų | 74 | 41.8 Ų | 41.8 | 76% | 0.763 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -6.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | L80 | L80-G82 PolarHBondContact O-N 2.99Å; L80-G82 VanDerWaalsContact O-N 3.16Å |
| 83 | D | 98.8 | Very high | 98.8 | Very high | 28 Ų | 28 | 41.7 Ų | 41.7 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -115.6 | 118.5 | -179.1 | -179.2 | -26.6 | 0 | 0 | 0 | 110.5 | K37 L80 R81 R85 F86 V87 | K37-D83 WeakPolarHBondContact CE-OD2 3.05Å; L80-D83 PolarHBondContact O-N 3.47Å; R81-D83 VanDerWaalsContact C-N 3.29Å; D83-R85 PolarHBondContact O-N 2.87Å; D83-R85 WeakPolarHBondContact OD1-CB 3.19Å; D83-R85 WeakPolarHBondContact OD1-CG 3.45Å; D83-R85 IonicContact OD1-CZ 2.72Å; D83-R85 PolarHBondContact OD1-N 2.87Å; D83-R85 IonicContact OD1-NE 2.92Å; D83-R85 PolarHBondContact OD1-NE 2.9Å; D83-R85 IonicContact OD1-NH2 3.93Å; D83-R85 IonicContact OD2-CZ 3.74Å; D83-R85 IonicContact OD2-NE 2.66Å; D83-R85 PolarHBondContact OD2-NE 3.43Å; D83-R85 IonicContact OD2-NH2 2.81Å; D83-R85 PolarHBondContact OD2-NH2 2.91Å; D83-F86 HydrophobicContact CB-CD2 3.76Å; D83-F86 HydrophobicContact CB-CE2 4.2Å; D83-F86 PolarHBondContact O-N 2.97Å; D83-F86 VanDerWaalsContact O-N 3.16Å; D83-V87 PolarHBondContact O-N 2.98Å |
| 84 | N | 98.7 | Very high | 98.8 | Very high | 126 Ų | 126 | 42.1 Ų | 42.1 | 67% | 0.674 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.2 | -22.5 | -174.4 | -79.7 | -23.2 | 0 | 0 | 0 | 113.9 | T88 | N84-T88 WeakPolarHBondContact O-CB 3.36Å; N84-T88 PolarHBondContact O-N 2.89Å; N84-T88 PolarHBondContact O-OG1 3.23Å |
| 85 | R | 98.8 | Very high | 98.8 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.8 | -46.6 | 178.7 | -62.4 | 175.4 | -69.5 | 172 | 0.5 | 111 | I58 D59 D83 T88 F89 | I58-R85 HydrophobicContact CG1-CB 3.87Å; I58-R85 HydrophobicContact CG2-CB 4.04Å; D59-R85 WeakPolarHBondContact OD1-CD 3.42Å; D59-R85 IonicContact OD1-CZ 3.67Å; D59-R85 IonicContact OD1-NE 2.79Å; D59-R85 IonicContact OD1-NH1 3.73Å; D59-R85 PolarHBondContact OD1-NH1 3.35Å; D59-R85 IonicContact OD2-NH1 3.77Å; D59-R85 PolarHBondContact OD2-NH1 3.38Å; D83-R85 PolarHBondContact O-N 2.87Å; D83-R85 WeakPolarHBondContact OD1-CB 3.19Å; D83-R85 WeakPolarHBondContact OD1-CG 3.45Å; D83-R85 IonicContact OD1-CZ 2.72Å; D83-R85 PolarHBondContact OD1-N 2.87Å; D83-R85 IonicContact OD1-NE 2.92Å; D83-R85 PolarHBondContact OD1-NE 2.9Å; D83-R85 IonicContact OD1-NH2 3.93Å; D83-R85 IonicContact OD2-CZ 3.74Å; D83-R85 IonicContact OD2-NE 2.66Å; D83-R85 PolarHBondContact OD2-NE 3.43Å; D83-R85 IonicContact OD2-NH2 2.81Å; D83-R85 PolarHBondContact OD2-NH2 2.91Å; R85-T88 PolarHBondContact O-N 2.89Å; R85-F89 VanDerWaalsContact O-CB 3.31Å; R85-F89 WeakPolarHBondContact O-CB 3.32Å; R85-F89 PolarHBondContact O-N 2.86Å |
| 86 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.1 | -37.7 | 178.1 | -62 | -86.5 | 0 | 0 | 0 | 112.1 | L8 K37 I58 L80 D83 T90 L109 | L8-F86 HydrophobicContact CB-CD1 4.38Å; L8-F86 HydrophobicContact CD1-CB 4.28Å; L8-F86 HydrophobicContact CD1-CD1 4.17Å; L8-F86 HydrophobicContact CD2-CD1 3.98Å; L8-F86 HydrophobicContact CD2-CE1 4.43Å; L8-F86 HydrophobicContact CG-CD1 4.38Å; K37-F86 HydrophobicContact CG-CE2 3.94Å; K37-F86 HydrophobicContact CG-CZ 3.89Å; I58-F86 HydrophobicContact CB-CE1 3.99Å; I58-F86 HydrophobicContact CB-CZ 3.94Å; I58-F86 HydrophobicContact CD1-CD1 4.05Å; I58-F86 HydrophobicContact CD1-CE1 4.16Å; I58-F86 HydrophobicContact CG1-CD1 4.18Å; I58-F86 HydrophobicContact CG1-CE1 4.07Å; I58-F86 HydrophobicContact CG1-CG 4.48Å; I58-F86 HydrophobicContact CG1-CZ 4.29Å; I58-F86 HydrophobicContact CG2-CE1 4.45Å; I58-F86 HydrophobicContact CG2-CE2 4.13Å; I58-F86 HydrophobicContact CG2-CZ 3.9Å; L80-F86 HydrophobicContact CB-CB 4.24Å; L80-F86 HydrophobicContact CB-CD1 4.4Å; L80-F86 HydrophobicContact CB-CG 4.12Å; L80-F86 HydrophobicContact CD1-CD1 4.23Å; L80-F86 HydrophobicContact CD2-CD1 3.84Å; L80-F86 HydrophobicContact CD2-CD2 4.05Å; L80-F86 HydrophobicContact CD2-CE1 3.66Å; L80-F86 HydrophobicContact CD2-CE2 3.88Å; L80-F86 HydrophobicContact CD2-CG 4.03Å; L80-F86 HydrophobicContact CD2-CZ 3.68Å; L80-F86 HydrophobicContact CG-CD1 4.38Å; D83-F86 HydrophobicContact CB-CD2 3.76Å; D83-F86 HydrophobicContact CB-CE2 4.2Å; D83-F86 PolarHBondContact O-N 2.97Å; D83-F86 VanDerWaalsContact O-N 3.16Å; F86-T90 WeakPolarHBondContact O-CB 3.22Å; F86-T90 PolarHBondContact O-N 3.33Å; F86-T90 PolarHBondContact O-OG1 2.92Å; F86-L109 HydrophobicContact CB-CD2 4.26Å |
| 87 | V | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -45.7 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | R81 D83 T90 R91 S112 | R81-V87 WeakPolarHBondContact O-CG2 3.21Å; D83-V87 PolarHBondContact O-N 2.98Å; V87-T90 PolarHBondContact O-N 3.41Å; V87-R91 WeakPolarHBondContact O-CB 3.25Å; V87-R91 PolarHBondContact O-N 3.49Å; V87-S112 VanDerWaalsContact CG1-O 3.23Å; V87-S112 WeakPolarHBondContact CG1-O 3.46Å |
| 88 | T | 98.9 | Very high | 98.8 | Very high | 56 Ų | 56 | 51.5 Ų | 51.5 | 34% | 0.344 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | N84 R85 T90 R91 D92 | N84-T88 WeakPolarHBondContact O-CB 3.36Å; N84-T88 PolarHBondContact O-N 2.89Å; N84-T88 PolarHBondContact O-OG1 3.23Å; R85-T88 PolarHBondContact O-N 2.89Å; T88-T90 VanDerWaalsContact C-N 3.29Å; T88-T90 PolarHBondContact O-N 3.31Å; T88-R91 PolarHBondContact O-N 3.45Å; T88-D92 WeakPolarHBondContact O-CB 3.47Å; T88-D92 VanDerWaalsContact O-CG 3.3Å; T88-D92 PolarHBondContact O-N 2.73Å |
| 89 | F | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.2 | -47 | 175.1 | -171.7 | -81.7 | 0 | 0 | 0 | 111.2 | A6 L8 I35 I58 V61 P63 F66 L69 R85 D92 F93 | A6-F89 HydrophobicContact CB-CE1 4.2Å; A6-F89 HydrophobicContact CB-CZ 4.17Å; L8-F89 HydrophobicContact CD1-CD1 4.02Å; L8-F89 HydrophobicContact CD2-CD1 3.98Å; L8-F89 HydrophobicContact CD2-CE1 4.18Å; L8-F89 HydrophobicContact CG-CD1 4.32Å; I35-F89 HydrophobicContact CD1-CE1 4.47Å; I35-F89 HydrophobicContact CD1-CE2 4.45Å; I35-F89 HydrophobicContact CD1-CZ 3.95Å; I58-F89 HydrophobicContact CD1-CB 3.91Å; I58-F89 HydrophobicContact CD1-CD2 3.78Å; I58-F89 HydrophobicContact CD1-CE2 4.49Å; I58-F89 HydrophobicContact CD1-CG 3.89Å; V61-F89 HydrophobicContact CG2-CE2 3.98Å; P63-F89 HydrophobicContact CG-CD1 4.47Å; P63-F89 HydrophobicContact CG-CD2 3.8Å; P63-F89 HydrophobicContact CG-CE2 3.89Å; P63-F89 HydrophobicContact CG-CG 4.11Å; P63-F89 HydrophobicContact CG-CZ 4.27Å; F66-F89 AromaticContact CD2-CZ 3.92Å; F66-F89 HydrophobicContact CD2-CZ 3.92Å; F66-F89 HydrophobicContact CE2-CE2 4.22Å; F66-F89 AromaticContact CE2-CZ 3.87Å; F66-F89 HydrophobicContact CE2-CZ 3.87Å; L69-F89 HydrophobicContact CD1-CE1 4.26Å; R85-F89 VanDerWaalsContact O-CB 3.31Å; R85-F89 WeakPolarHBondContact O-CB 3.32Å; R85-F89 PolarHBondContact O-N 2.86Å; F89-D92 PolarHBondContact O-N 3Å; F89-F93 HydrophobicContact CD1-CD2 4.33Å; F89-F93 AromaticContact CE1-CD2 3.63Å; F89-F93 HydrophobicContact CE1-CD2 3.63Å; F89-F93 HydrophobicContact CE1-CE2 4.16Å; F89-F93 HydrophobicContact CZ-CD2 4.08Å; F89-F93 HydrophobicContact CZ-CE2 4.33Å; F89-F93 VanDerWaalsContact O-CB 3.3Å; F89-F93 WeakPolarHBondContact O-CB 3.43Å; F89-F93 PolarHBondContact O-N 3.03Å |
| 90 | T | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.4 | -45.3 | 178.1 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | L8 L71 F86 V87 T88 F93 V94 L109 L110 A113 | L8-T90 WeakPolarHBondContact CD1-OG1 3.41Å; L71-T90 HydrophobicContact CD1-CG2 4.26Å; F86-T90 WeakPolarHBondContact O-CB 3.22Å; F86-T90 PolarHBondContact O-N 3.33Å; F86-T90 PolarHBondContact O-OG1 2.92Å; V87-T90 PolarHBondContact O-N 3.41Å; T88-T90 VanDerWaalsContact C-N 3.29Å; T88-T90 PolarHBondContact O-N 3.31Å; T90-F93 PolarHBondContact O-N 3.26Å; T90-V94 WeakPolarHBondContact O-CG2 3.12Å; T90-V94 PolarHBondContact O-N 3.23Å; T90-L109 HydrophobicContact CG2-CB 4.37Å; T90-L110 HydrophobicContact CG2-CD2 3.75Å; T90-A113 HydrophobicContact CG2-CB 3.96Å |
| 91 | R | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -58.3 | -50.5 | 177.8 | -177.2 | -178.5 | -57 | 104.5 | 0.8 | 111.6 | V87 T88 F93 V94 N95 A113 V115 | V87-R91 WeakPolarHBondContact O-CB 3.25Å; V87-R91 PolarHBondContact O-N 3.49Å; T88-R91 PolarHBondContact O-N 3.45Å; R91-F93 VanDerWaalsContact C-N 3.31Å; R91-F93 PolarHBondContact O-N 3.39Å; R91-V94 PolarHBondContact O-N 3.37Å; R91-N95 WeakPolarHBondContact O-CB 3.38Å; R91-N95 VanDerWaalsContact O-CG 3.29Å; R91-N95 PolarHBondContact O-N 3.15Å; R91-N95 PolarHBondContact O-ND2 3.38Å; R91-A113 HydrophobicContact CB-CB 3.9Å; R91-A113 PolarHBondContact NE-O 2.92Å; R91-V115 HydrophobicContact CB-CG1 4.34Å; R91-V115 HydrophobicContact CG-CG1 3.83Å |
| 92 | D | 98.9 | Very high | 98.8 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.8 | -36.8 | -177.6 | -67.7 | -5.7 | 0 | 0 | 0 | 110.8 | P63 T88 F89 N95 S96 | P63-D92 HydrophobicContact CG-CB 3.95Å; T88-D92 WeakPolarHBondContact O-CB 3.47Å; T88-D92 VanDerWaalsContact O-CG 3.3Å; T88-D92 PolarHBondContact O-N 2.73Å; F89-D92 PolarHBondContact O-N 3Å; D92-N95 PolarHBondContact O-N 3.03Å; D92-S96 WeakPolarHBondContact O-CB 3.23Å; D92-S96 PolarHBondContact O-N 2.87Å |
| 93 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -49.9 | 173.7 | -144.7 | -71.8 | 0 | 0 | 0 | 112 | A6 P63 F66 A68 L69 F89 T90 R91 N95 S96 K98 V100 | A6-F93 HydrophobicContact CB-CE2 4.34Å; P63-F93 HydrophobicContact CB-CB 4.34Å; P63-F93 HydrophobicContact CB-CD2 3.68Å; P63-F93 HydrophobicContact CB-CE2 4.33Å; P63-F93 HydrophobicContact CB-CG 4.3Å; P63-F93 HydrophobicContact CG-CD2 4.4Å; F66-F93 HydrophobicContact CB-CE2 3.76Å; F66-F93 HydrophobicContact CB-CZ 3.88Å; F66-F93 HydrophobicContact CD2-CE2 4.35Å; F66-F93 HydrophobicContact CG-CE2 4.44Å; A68-F93 VanDerWaalsContact C-CE1 3.5Å; A68-F93 VanDerWaalsContact O-CZ 3.3Å; A68-F93 WeakPolarHBondContact O-CZ 3.34Å; L69-F93 HydrophobicContact CB-CD1 3.68Å; L69-F93 HydrophobicContact CB-CD2 3.98Å; L69-F93 HydrophobicContact CB-CE1 3.66Å; L69-F93 HydrophobicContact CB-CE2 3.95Å; L69-F93 HydrophobicContact CB-CG 3.86Å; L69-F93 HydrophobicContact CB-CZ 3.82Å; L69-F93 HydrophobicContact CD2-CB 3.91Å; L69-F93 HydrophobicContact CD2-CD1 4.36Å; L69-F93 HydrophobicContact CD2-CD2 4.22Å; L69-F93 HydrophobicContact CD2-CG 3.91Å; F89-F93 HydrophobicContact CD1-CD2 4.33Å; F89-F93 AromaticContact CE1-CD2 3.63Å; F89-F93 HydrophobicContact CE1-CD2 3.63Å; F89-F93 HydrophobicContact CE1-CE2 4.16Å; F89-F93 HydrophobicContact CZ-CD2 4.08Å; F89-F93 HydrophobicContact CZ-CE2 4.33Å; F89-F93 VanDerWaalsContact O-CB 3.3Å; F89-F93 WeakPolarHBondContact O-CB 3.43Å; F89-F93 PolarHBondContact O-N 3.03Å; T90-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact C-N 3.31Å; R91-F93 PolarHBondContact O-N 3.39Å; F93-N95 PolarHBondContact O-N 2.91Å; F93-S96 WeakPolarHBondContact O-CB 3.42Å; F93-S96 PolarHBondContact O-N 3.42Å; F93-S96 PolarHBondContact O-OG 3.46Å; F93-K98 HydrophobicContact CD1-CB 3.96Å; F93-K98 HydrophobicContact CE1-CB 3.49Å; F93-K98 VanDerWaalsContact CE1-CB 3.49Å; F93-K98 HydrophobicContact CE1-CD 3.97Å; F93-K98 HydrophobicContact CE1-CG 4.4Å; F93-K98 HydrophobicContact CZ-CB 4.36Å; F93-K98 HydrophobicContact CZ-CD 4.09Å; F93-V100 HydrophobicContact CD1-CG2 3.83Å |
| 94 | V | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.4 | 174.8 | 0 | 0 | 0 | 0 | 111 | T90 R91 S96 G97 V100 L110 V115 Q149 | T90-V94 WeakPolarHBondContact O-CG2 3.12Å; T90-V94 PolarHBondContact O-N 3.23Å; R91-V94 PolarHBondContact O-N 3.37Å; V94-S96 PolarHBondContact O-N 3.1Å; V94-G97 PolarHBondContact O-N 3Å; V94-G97 VanDerWaalsContact O-N 3.16Å; V94-V100 HydrophobicContact CG2-CB 4.5Å; V94-V100 HydrophobicContact CG2-CG2 3.83Å; V94-L110 HydrophobicContact CG2-CD2 3.87Å; V94-V115 HydrophobicContact CB-CB 4.17Å; V94-V115 HydrophobicContact CB-CG1 4.38Å; V94-V115 HydrophobicContact CB-CG2 3.89Å; V94-V115 HydrophobicContact CG1-CB 3.78Å; V94-V115 HydrophobicContact CG1-CG1 4.39Å; V94-V115 HydrophobicContact CG1-CG2 3.77Å; V94-V115 HydrophobicContact CG2-CG2 3.87Å; V94-Q149 PolarHBondContact O-NE2 3.43Å |
| 95 | N | 98.7 | Very high | 98.8 | Very high | 112 Ų | 112 | 32 Ų | 32 | 60% | 0.599 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -67.8 | -21.9 | 178.5 | -73.5 | -22.4 | 0 | 0 | 0 | 113.4 | R91 D92 F93 G97 | R91-N95 WeakPolarHBondContact O-CB 3.38Å; R91-N95 VanDerWaalsContact O-CG 3.29Å; R91-N95 PolarHBondContact O-N 3.15Å; R91-N95 PolarHBondContact O-ND2 3.38Å; D92-N95 PolarHBondContact O-N 3.03Å; F93-N95 PolarHBondContact O-N 2.91Å; N95-G97 PolarHBondContact O-N 3.32Å |
| 96 | S | 98.6 | Very high | 98.8 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 43% | 0.427 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11.4 | 174.1 | 78.7 | 0 | 0 | 0 | 0 | 114 | D92 F93 V94 K98 | D92-S96 WeakPolarHBondContact O-CB 3.23Å; D92-S96 PolarHBondContact O-N 2.87Å; F93-S96 WeakPolarHBondContact O-CB 3.42Å; F93-S96 PolarHBondContact O-N 3.42Å; F93-S96 PolarHBondContact O-OG 3.46Å; V94-S96 PolarHBondContact O-N 3.1Å; S96-K98 PolarHBondContact O-N 2.95Å; S96-K98 WeakPolarHBondContact OG-CD 3.43Å; S96-K98 VanDerWaalsContact OG-CG 3.26Å; S96-K98 WeakPolarHBondContact OG-CG 3.45Å; S96-K98 PolarHBondContact OG-N 3.38Å |
| 97 | G | 98.5 | Very high | 98.8 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 53% | 0.526 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -0.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V94 N95 Q149 | V94-G97 PolarHBondContact O-N 3Å; V94-G97 VanDerWaalsContact O-N 3.16Å; N95-G97 PolarHBondContact O-N 3.32Å; G97-Q149 VanDerWaalsContact CA-NE2 3.27Å |
| 98 | K | 98.8 | Very high | 98.8 | Very high | 51 Ų | 51 | 28.3 Ų | 28.3 | 22% | 0.222 | 16% | 0.162 | C | C | . | . | trans | -71.5 | 151.9 | 178.3 | -65.8 | 175.6 | -173.6 | -172.7 | 0 | 112 | P63 A64 F66 F93 S96 Q149 | P63-K98 PolarHBondContact O-NZ 3.01Å; A64-K98 PolarHBondContact O-NZ 3.16Å; A64-K98 VanDerWaalsContact O-NZ 3.12Å; F66-K98 WeakPolarHBondContact O-CD 3.36Å; F66-K98 WeakPolarHBondContact O-CE 3.46Å; F66-K98 PolarHBondContact O-NZ 2.71Å; F93-K98 HydrophobicContact CD1-CB 3.96Å; F93-K98 HydrophobicContact CE1-CB 3.49Å; F93-K98 VanDerWaalsContact CE1-CB 3.49Å; F93-K98 HydrophobicContact CE1-CD 3.97Å; F93-K98 HydrophobicContact CE1-CG 4.4Å; F93-K98 HydrophobicContact CZ-CB 4.36Å; F93-K98 HydrophobicContact CZ-CD 4.09Å; S96-K98 PolarHBondContact O-N 2.95Å; S96-K98 WeakPolarHBondContact OG-CD 3.43Å; S96-K98 VanDerWaalsContact OG-CG 3.26Å; S96-K98 WeakPolarHBondContact OG-CG 3.45Å; S96-K98 PolarHBondContact OG-N 3.38Å; K98-Q149 WeakPolarHBondContact O-CG 3.24Å; K98-Q149 PolarHBondContact O-NE2 2.9Å | ||
| 99 | P | 98.9 | Very high | 98.8 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | trans | -57 | 138.6 | 177.4 | -26.3 | 34.6 | 0 | 0 | 0 | 113.6 | D67 A68 L69 F101 Q149 L169 | D67-P99 WeakPolarHBondContact O-CD 3.18Å; A68-P99 VanDerWaalsContact CA-O 3.3Å; A68-P99 WeakPolarHBondContact CA-O 3.34Å; A68-P99 HydrophobicContact CB-CB 4.13Å; L69-P99 PolarHBondContact N-O 2.83Å; L69-P99 VanDerWaalsContact N-O 3.09Å; P99-F101 HydrophobicContact CB-CD1 4.48Å; P99-F101 HydrophobicContact CB-CE1 3.52Å; P99-F101 HydrophobicContact CB-CZ 3.74Å; P99-Q149 VanDerWaalsContact CA-O 3.31Å; P99-Q149 WeakPolarHBondContact CA-O 3.48Å; P99-L169 HydrophobicContact CB-CB 4.22Å; P99-L169 HydrophobicContact CB-CD1 4.18Å; P99-L169 HydrophobicContact CG-CB 4.13Å | ||
| 100 | V | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 127.6 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | L69 L71 F93 V94 L110 Q149 L150 V151 | L69-V100 HydrophobicContact CB-CG1 4.37Å; L69-V100 HydrophobicContact CB-CG2 4.26Å; L69-V100 HydrophobicContact CD2-CG1 4.21Å; L69-V100 HydrophobicContact CG-CG1 4.25Å; L69-V100 CarbonylContact O-C 3.57Å; L69-V100 WeakPolarHBondContact O-CA 3.39Å; L71-V100 HydrophobicContact CD1-CG1 4.06Å; L71-V100 HydrophobicContact CG-CG1 4.47Å; F93-V100 HydrophobicContact CD1-CG2 3.83Å; V94-V100 HydrophobicContact CG2-CB 4.5Å; V94-V100 HydrophobicContact CG2-CG2 3.83Å; V100-L110 HydrophobicContact CG1-CD2 4.11Å; V100-Q149 PolarHBondContact N-O 3.43Å; V100-L150 HydrophobicContact CB-CD1 4.23Å; V100-L150 HydrophobicContact CG1-CD1 4.37Å; V100-V151 PolarHBondContact O-N 3.06Å |
| 101 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 108.4 | -175.7 | -35.9 | -52.5 | 0 | 0 | 0 | 108.3 | I5 F25 A68 L69 L70 L71 P99 V151 F162 A166 L169 L170 | I5-F101 HydrophobicContact CG2-CE2 4.49Å; F25-F101 HydrophobicContact CE2-CD2 4.33Å; F25-F101 AromaticContact CZ-CD2 3.82Å; F25-F101 HydrophobicContact CZ-CD2 3.82Å; F25-F101 AromaticContact CZ-CE2 3.97Å; F25-F101 HydrophobicContact CZ-CE2 3.97Å; A68-F101 HydrophobicContact CB-CD2 4.46Å; A68-F101 HydrophobicContact CB-CE2 3.49Å; A68-F101 VanDerWaalsContact CB-CE2 3.49Å; A68-F101 HydrophobicContact CB-CZ 3.6Å; L69-F101 PolarHBondContact O-N 2.97Å; L70-F101 CarbonylContact C-O 3.55Å; L70-F101 WeakPolarHBondContact CA-O 3.46Å; L70-F101 HydrophobicContact CD1-CB 4.11Å; L71-F101 PolarHBondContact N-O 3.16Å; P99-F101 HydrophobicContact CB-CD1 4.48Å; P99-F101 HydrophobicContact CB-CE1 3.52Å; P99-F101 HydrophobicContact CB-CZ 3.74Å; F101-V151 CarbonylContact C-O 3.55Å; F101-V151 WeakPolarHBondContact CA-O 3.37Å; F101-V151 HydrophobicContact CD1-CB 3.97Å; F101-V151 HydrophobicContact CD1-CG2 3.89Å; F101-V151 HydrophobicContact CE1-CG2 4.28Å; F101-F162 HydrophobicContact CB-CE1 4.21Å; F101-F162 HydrophobicContact CB-CE2 3.85Å; F101-F162 HydrophobicContact CB-CZ 3.38Å; F101-A166 HydrophobicContact CD1-CB 3.83Å; F101-A166 HydrophobicContact CD2-CB 4.11Å; F101-A166 HydrophobicContact CE1-CB 3.93Å; F101-A166 HydrophobicContact CE2-CB 4.2Å; F101-A166 HydrophobicContact CG-CB 3.91Å; F101-A166 HydrophobicContact CZ-CB 4.12Å; F101-L169 HydrophobicContact CE1-CB 4.36Å; F101-L169 HydrophobicContact CE1-CD1 4.39Å; F101-L170 HydrophobicContact CE2-CD1 4.14Å; F101-L170 HydrophobicContact CE2-CD2 4.41Å; F101-L170 HydrophobicContact CE2-CG 4.33Å; F101-L170 HydrophobicContact CZ-CD1 4.19Å; F101-L170 HydrophobicContact CZ-CD2 4.11Å; F101-L170 HydrophobicContact CZ-CG 3.93Å |
| 102 | A | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 P107 L110 V151 T152 S153 | L71-A102 HydrophobicContact CB-CB 3.91Å; L71-A102 HydrophobicContact CD1-CB 4.13Å; L71-A102 HydrophobicContact CG-CB 4.5Å; A102-P107 HydrophobicContact CB-CG 4.07Å; A102-L110 HydrophobicContact CB-CD1 3.85Å; A102-L110 HydrophobicContact CB-CG 4.49Å; A102-V151 PolarHBondContact N-O 3.19Å; A102-T152 HydrophobicContact CB-CG2 4.26Å; A102-T152 WeakPolarHBondContact O-CA 3.14Å; A102-T152 WeakPolarHBondContact O-CB 3.34Å; A102-S153 PolarHBondContact O-N 2.84Å |
| 103 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.3 | -174.4 | -174 | 163.1 | 0 | 0 | 0 | 111 | E17 L71 G73 H105 G106 S153 L159 F162 | E17-I103 HydrophobicContact CB-CG2 3.81Å; E17-I103 HydrophobicContact CG-CD1 4.26Å; E17-I103 HydrophobicContact CG-CG1 4.34Å; E17-I103 HydrophobicContact CG-CG2 3.86Å; L71-I103 PolarHBondContact O-N 3.06Å; G73-I103 PolarHBondContact N-O 3.27Å; I103-H105 PolarHBondContact O-N 3.33Å; I103-G106 WeakPolarHBondContact O-CA 3.32Å; I103-G106 PolarHBondContact O-N 3.07Å; I103-S153 WeakPolarHBondContact CA-O 3.38Å; I103-L159 HydrophobicContact CD1-CD2 3.81Å; I103-L159 HydrophobicContact CD1-CG 4.22Å; I103-F162 HydrophobicContact CB-CD2 4.2Å; I103-F162 HydrophobicContact CB-CE2 3.91Å; I103-F162 HydrophobicContact CB-CZ 4.09Å; I103-F162 HydrophobicContact CD1-CB 4.27Å; I103-F162 HydrophobicContact CD1-CD1 4.35Å; I103-F162 HydrophobicContact CD1-CD2 4.33Å; I103-F162 HydrophobicContact CD1-CG 4.07Å; I103-F162 HydrophobicContact CG2-CE1 4.5Å; I103-F162 HydrophobicContact CG2-CZ 4.22Å |
| 104 | C | 98.5 | Very high | 98.8 | Very high | 13 Ų | 13 | 25.9 Ų | 25.9 | 9% | 0.088 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -106.3 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 113 | E17 P107 V124 I127 S153 R154 | E17-C104 VanDerWaalsContact CD-CB 3.42Å; E17-C104 WeakPolarHBondContact OE1-CB 3.33Å; E17-C104 PolarHBondContact OE1-SG 3.45Å; E17-C104 VanDerWaalsContact OE1-SG 3.36Å; E17-C104 VanDerWaalsContact OE2-CB 3.27Å; E17-C104 WeakPolarHBondContact OE2-CB 3.42Å; C104-P107 WeakPolarHBondContact O-CD 3.1Å; C104-V124 VanDerWaalsContact C-CG1 3.45Å; C104-V124 HydrophobicContact CB-CB 4.36Å; C104-V124 VanDerWaalsContact O-CG1 3.24Å; C104-V124 WeakPolarHBondContact O-CG1 3.42Å; C104-V124 PolarHBondContact O-N 2.88Å; C104-I127 WeakPolarHBondContact O-CD1 3.46Å; C104-S153 PolarHBondContact N-O 3.36Å; C104-R154 VanDerWaalsContact CA-O 3.23Å; C104-R154 WeakPolarHBondContact CA-O 3.44Å; C104-R154 WeakPolarHBondContact CB-O 3.27Å |
| 105 | H | 98.9 | Very high | 98.8 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 17% | 0.171 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11.2 | 174.8 | -74.2 | 87.5 | 0 | 0 | 0 | 113.4 | G74 P77 I103 P107 Q108 V124 | G74-H105 WeakPolarHBondContact O-CB 3.46Å; P77-H105 WeakPolarHBondContact CB-O 3.26Å; P77-H105 HydrophobicContact CG-CB 4.13Å; I103-H105 PolarHBondContact O-N 3.33Å; H105-P107 VanDerWaalsContact C-N 3.26Å; H105-P107 VanDerWaalsContact O-N 3.15Å; H105-Q108 WeakPolarHBondContact O-CB 3.03Å; H105-Q108 VanDerWaalsContact O-CG 3.27Å; H105-Q108 WeakPolarHBondContact O-CG 3.45Å; H105-Q108 PolarHBondContact O-N 3.39Å; H105-V124 VanDerWaalsContact CE1-CG1 3.44Å; H105-V124 WeakPolarHBondContact CE1-CG1 3.48Å |
| 106 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L71 I103 Q108 L109 | L71-G106 WeakPolarHBondContact O-CA 3.48Å; I103-G106 WeakPolarHBondContact O-CA 3.32Å; I103-G106 PolarHBondContact O-N 3.07Å; G106-Q108 PolarHBondContact O-N 3.06Å; G106-L109 PolarHBondContact O-N 3.36Å; G106-L109 VanDerWaalsContact O-N 3.13Å |
| 107 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -14.8 | 174.7 | -28.3 | 37 | 0 | 0 | 0 | 115.9 | A102 C104 H105 L109 L110 I111 A123 I127 T152 | A102-P107 HydrophobicContact CB-CG 4.07Å; C104-P107 WeakPolarHBondContact O-CD 3.1Å; H105-P107 VanDerWaalsContact C-N 3.26Å; H105-P107 VanDerWaalsContact O-N 3.15Å; P107-L109 VanDerWaalsContact C-N 3.27Å; P107-L109 PolarHBondContact O-N 2.93Å; P107-L110 HydrophobicContact CB-CD1 4.33Å; P107-L110 WeakPolarHBondContact O-CA 3.43Å; P107-L110 WeakPolarHBondContact O-CB 3.41Å; P107-L110 PolarHBondContact O-N 2.91Å; P107-I111 WeakPolarHBondContact O-CG1 3.32Å; P107-I111 PolarHBondContact O-N 3.13Å; P107-A123 HydrophobicContact CB-CB 4.34Å; P107-A123 HydrophobicContact CG-CB 4.1Å; P107-I127 HydrophobicContact CB-CD1 4.22Å; P107-T152 HydrophobicContact CG-CG2 4.44Å |
| 108 | Q | 99 | Very high | 98.8 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 8% | 0.079 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.6 | -35.2 | 172.4 | -71.3 | -176.6 | -47.8 | 0 | 0 | 113.1 | P77 R81 H105 G106 L110 I111 S112 I127 | P77-Q108 HydrophobicContact CB-CB 4.08Å; R81-Q108 PolarHBondContact NE-O 2.78Å; R81-Q108 PolarHBondContact NH2-O 2.8Å; H105-Q108 WeakPolarHBondContact O-CB 3.03Å; H105-Q108 VanDerWaalsContact O-CG 3.27Å; H105-Q108 WeakPolarHBondContact O-CG 3.45Å; H105-Q108 PolarHBondContact O-N 3.39Å; G106-Q108 PolarHBondContact O-N 3.06Å; Q108-L110 VanDerWaalsContact C-N 3.33Å; Q108-I111 PolarHBondContact O-N 2.88Å; Q108-S112 PolarHBondContact O-N 3.01Å; Q108-S112 PolarHBondContact O-OG 3.37Å; Q108-I127 HydrophobicContact CG-CD1 3.8Å; Q108-I127 HydrophobicContact CG-CG2 4.04Å |
| 109 | L | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.7 | -35.3 | 173.5 | -83.2 | 166.8 | 0 | 0 | 0 | 111.5 | L8 L71 L80 R81 F86 T90 G106 P107 S112 A113 | L8-L109 HydrophobicContact CB-CD1 4.4Å; L8-L109 HydrophobicContact CD1-CD1 4.36Å; L71-L109 HydrophobicContact CD1-CB 4.18Å; L71-L109 HydrophobicContact CD2-CD1 3.79Å; L80-L109 HydrophobicContact CB-CD1 4.3Å; L80-L109 HydrophobicContact CB-CD2 4.15Å; L80-L109 HydrophobicContact CD1-CD1 4.41Å; R81-L109 HydrophobicContact CB-CD2 3.9Å; R81-L109 HydrophobicContact CB-CG 4.46Å; F86-L109 HydrophobicContact CB-CD2 4.26Å; T90-L109 HydrophobicContact CG2-CB 4.37Å; G106-L109 PolarHBondContact O-N 3.36Å; G106-L109 VanDerWaalsContact O-N 3.13Å; P107-L109 VanDerWaalsContact C-N 3.27Å; P107-L109 PolarHBondContact O-N 2.93Å; L109-S112 PolarHBondContact O-N 3.06Å; L109-A113 WeakPolarHBondContact O-CB 3.29Å; L109-A113 PolarHBondContact O-N 3.09Å |
| 110 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 174.8 | -54.1 | 175.6 | 0 | 0 | 0 | 112.1 | L71 T90 V94 V100 A102 P107 Q108 A113 D114 V115 I116 L150 | L71-L110 HydrophobicContact CD1-CD2 3.86Å; L71-L110 HydrophobicContact CD1-CG 4.12Å; T90-L110 HydrophobicContact CG2-CD2 3.75Å; V94-L110 HydrophobicContact CG2-CD2 3.87Å; V100-L110 HydrophobicContact CG1-CD2 4.11Å; A102-L110 HydrophobicContact CB-CD1 3.85Å; A102-L110 HydrophobicContact CB-CG 4.49Å; P107-L110 HydrophobicContact CB-CD1 4.33Å; P107-L110 WeakPolarHBondContact O-CA 3.43Å; P107-L110 WeakPolarHBondContact O-CB 3.41Å; P107-L110 PolarHBondContact O-N 2.91Å; Q108-L110 VanDerWaalsContact C-N 3.33Å; L110-A113 PolarHBondContact O-N 2.78Å; L110-D114 PolarHBondContact O-N 2.81Å; L110-V115 HydrophobicContact CD2-CG2 4.47Å; L110-I116 HydrophobicContact CB-CG2 3.62Å; L110-I116 HydrophobicContact CD1-CG2 4.29Å; L110-L150 HydrophobicContact CD1-CD1 3.6Å; L110-L150 HydrophobicContact CD1-CD2 4.44Å |
| 111 | I | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.138 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -51.2 | 171.8 | -69.1 | 160.6 | 0 | 0 | 0 | 109.6 | P107 Q108 A113 D114 I116 D130 V131 A134 | P107-I111 WeakPolarHBondContact O-CG1 3.32Å; P107-I111 PolarHBondContact O-N 3.13Å; Q108-I111 PolarHBondContact O-N 2.88Å; I111-A113 VanDerWaalsContact C-N 3.25Å; I111-A113 PolarHBondContact O-N 3.42Å; I111-D114 PolarHBondContact O-N 2.86Å; I111-I116 HydrophobicContact CG1-CD1 3.59Å; I111-D130 HydrophobicContact CD1-CB 3.78Å; I111-V131 HydrophobicContact CD1-CG2 3.92Å; I111-A134 HydrophobicContact CG1-CB 4.16Å; I111-A134 HydrophobicContact CG2-CB 4.22Å |
| 112 | S | 98.9 | Very high | 98.8 | Very high | 37 Ų | 37 | 28 Ų | 28 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.6 | -29.5 | 179.5 | -72.7 | 0 | 0 | 0 | 0 | 113.2 | R81 V87 Q108 L109 D114 | R81-S112 PolarHBondContact NE-OG 3.28Å; R81-S112 PolarHBondContact NH2-OG 3.14Å; R81-S112 VanDerWaalsContact NH2-OG 3.1Å; V87-S112 VanDerWaalsContact CG1-O 3.23Å; V87-S112 WeakPolarHBondContact CG1-O 3.46Å; Q108-S112 PolarHBondContact O-N 3.01Å; Q108-S112 PolarHBondContact O-OG 3.37Å; L109-S112 PolarHBondContact O-N 3.06Å; S112-D114 PolarHBondContact O-N 2.72Å |
| 113 | A | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.4 | -16.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T90 R91 L109 L110 I111 V115 | T90-A113 HydrophobicContact CG2-CB 3.96Å; R91-A113 HydrophobicContact CB-CB 3.9Å; R91-A113 PolarHBondContact NE-O 2.92Å; L109-A113 WeakPolarHBondContact O-CB 3.29Å; L109-A113 PolarHBondContact O-N 3.09Å; L110-A113 PolarHBondContact O-N 2.78Å; I111-A113 VanDerWaalsContact C-N 3.25Å; I111-A113 PolarHBondContact O-N 3.42Å; A113-V115 HydrophobicContact CB-CG1 4.16Å; A113-V115 HydrophobicContact CB-CG2 3.87Å |
| 114 | D | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 29 Ų | 29 | 55% | 0.551 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 45.9 | -175.7 | -164.9 | 31.4 | 0 | 0 | 0 | 113.4 | L110 I111 S112 | L110-D114 PolarHBondContact O-N 2.81Å; I111-D114 PolarHBondContact O-N 2.86Å; S112-D114 PolarHBondContact O-N 2.72Å |
| 115 | V | 98.8 | Very high | 98.8 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 12% | 0.121 | 19% | 0.187 | C | C | . | . | trans | -115.9 | 7.5 | -175.1 | -65.4 | 0 | 0 | 0 | 0 | 114.1 | R91 V94 L110 A113 | R91-V115 HydrophobicContact CB-CG1 4.34Å; R91-V115 HydrophobicContact CG-CG1 3.83Å; V94-V115 HydrophobicContact CB-CB 4.17Å; V94-V115 HydrophobicContact CB-CG1 4.38Å; V94-V115 HydrophobicContact CB-CG2 3.89Å; V94-V115 HydrophobicContact CG1-CB 3.78Å; V94-V115 HydrophobicContact CG1-CG1 4.39Å; V94-V115 HydrophobicContact CG1-CG2 3.77Å; V94-V115 HydrophobicContact CG2-CG2 3.87Å; L110-V115 HydrophobicContact CD2-CG2 4.47Å; A113-V115 HydrophobicContact CB-CG1 4.16Å; A113-V115 HydrophobicContact CB-CG2 3.87Å | ||
| 116 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -110.1 | 0.2 | -172.5 | 61.9 | 169.9 | 0 | 0 | 0 | 115 | L110 I111 G118 R119 L121 A134 A136 L150 | L110-I116 HydrophobicContact CB-CG2 3.62Å; L110-I116 HydrophobicContact CD1-CG2 4.29Å; I111-I116 HydrophobicContact CG1-CD1 3.59Å; I116-G118 PolarHBondContact O-N 2.95Å; I116-R119 WeakPolarHBondContact O-CB 3.4Å; I116-R119 PolarHBondContact O-N 2.77Å; I116-L121 HydrophobicContact CB-CD2 3.75Å; I116-L121 HydrophobicContact CD1-CD2 4.03Å; I116-L121 HydrophobicContact CG2-CD2 3.66Å; I116-A134 HydrophobicContact CD1-CB 3.72Å; I116-A134 HydrophobicContact CG1-CB 3.85Å; I116-A136 HydrophobicContact CB-CB 4.18Å; I116-A136 HydrophobicContact CD1-CB 4.05Å; I116-A136 HydrophobicContact CG1-CB 4.22Å; I116-A136 VanDerWaalsContact O-CA 3.31Å; I116-A136 WeakPolarHBondContact O-CA 3.42Å; I116-A136 WeakPolarHBondContact O-CB 3.39Å; I116-L150 HydrophobicContact CG2-CD2 4.4Å | ||
| 117 | R | 98.8 | Very high | 98.8 | Very high | 160 Ų | 160 | 39.4 Ų | 39.4 | 60% | 0.604 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 122.9 | 175.5 | -173.3 | 172.3 | -61 | -75.4 | -7.7 | 110.8 | R119 | R117-R119 PolarHBondContact O-N 2.79Š|
| 118 | G | 98.6 | Very high | 98.8 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 60% | 0.598 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 8.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | I116 G135 | I116-G118 PolarHBondContact O-N 2.95Å; G118-G135 PolarHBondContact N-O 3.1Å |
| 119 | R | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 45 Ų | 45 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | trans | -93.1 | 147.8 | 174.5 | -52.1 | -62.5 | -63 | -84.8 | 1.1 | 110.1 | I116 R117 A136 E137 D146 L150 | I116-R119 WeakPolarHBondContact O-CB 3.4Å; I116-R119 PolarHBondContact O-N 2.77Å; R117-R119 PolarHBondContact O-N 2.79Å; R119-A136 WeakPolarHBondContact O-CA 3.16Å; R119-E137 PolarHBondContact O-N 3.49Å; R119-D146 IonicContact CZ-OD1 3.51Å; R119-D146 IonicContact NE-OD1 3.72Å; R119-D146 PolarHBondContact NE-OD1 3.49Å; R119-D146 IonicContact NH2-OD1 2.9Å; R119-D146 PolarHBondContact NH2-OD1 3.01Å; R119-L150 HydrophobicContact CB-CD2 4.43Å | ||
| 120 | K | 98.9 | Very high | 98.8 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 39% | 0.391 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.9 | 173.4 | -53.5 | -174.7 | 177.6 | -170.5 | 0 | 110.2 | E137 Y139 V144 D146 | K120-E137 WeakPolarHBondContact CA-O 3.2Å; K120-E137 WeakPolarHBondContact CE-OE2 3.34Å; K120-E137 HydrophobicContact CG-CB 4.42Å; K120-Y139 HydrophobicContact CB-CD2 4.1Å; K120-Y139 HydrophobicContact CB-CE2 3.82Å; K120-Y139 HydrophobicContact CD-CE2 3.79Å; K120-Y139 HydrophobicContact CG-CE2 3.75Å; K120-V144 HydrophobicContact CB-CG1 3.97Å; K120-D146 HydrophobicContact CB-CB 4.18Å; K120-D146 PolarHBondContact N-OD2 3.27Å; K120-D146 VanDerWaalsContact O-CB 3.26Å; K120-D146 WeakPolarHBondContact O-CB 3.4Å |
| 121 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 167.6 | 174.1 | 64.6 | 96.1 | 0 | 0 | 0 | 112.9 | I116 V131 A136 E137 F138 Y139 L150 T152 | I116-L121 HydrophobicContact CB-CD2 3.75Å; I116-L121 HydrophobicContact CD1-CD2 4.03Å; I116-L121 HydrophobicContact CG2-CD2 3.66Å; L121-V131 HydrophobicContact CD1-CB 4.34Å; L121-V131 HydrophobicContact CD1-CG1 3.42Å; L121-V131 VanDerWaalsContact CD1-CG1 3.42Å; L121-V131 HydrophobicContact CD1-CG2 3.9Å; L121-V131 HydrophobicContact CG-CG1 4.09Å; L121-A136 HydrophobicContact CD2-CB 3.88Å; L121-A136 HydrophobicContact CG-CB 4.09Å; L121-E137 PolarHBondContact N-O 3.36Å; L121-E137 VanDerWaalsContact N-O 3.12Å; L121-F138 WeakPolarHBondContact O-CA 3.46Å; L121-Y139 PolarHBondContact O-N 2.97Å; L121-Y139 VanDerWaalsContact O-N 3.09Å; L121-L150 HydrophobicContact CB-CD2 4.36Å; L121-L150 HydrophobicContact CD2-CD2 3.95Å; L121-T152 WeakPolarHBondContact CA-OG1 3.45Å; L121-T152 HydrophobicContact CB-CG2 3.88Å; L121-T152 WeakPolarHBondContact CB-OG1 3.23Å |
| 122 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -118.9 | 168.5 | 168.8 | -167.5 | 0 | 0 | 0 | 0 | 110.3 | Y139 V144 T152 R154 | T122-Y139 WeakPolarHBondContact CB-O 3.33Å; T122-Y139 PolarHBondContact OG1-O 3.16Å; T122-V144 HydrophobicContact CG2-CB 4.45Å; T122-V144 HydrophobicContact CG2-CG2 3.96Å; T122-T152 VanDerWaalsContact CG2-C 3.5Å; T122-T152 VanDerWaalsContact CG2-O 3.26Å; T122-T152 WeakPolarHBondContact CG2-O 3.33Å; T122-T152 PolarHBondContact N-OG1 3.26Å; T122-T152 WeakPolarHBondContact O-CB 2.98Å; T122-R154 HydrophobicContact CG2-CG 3.93Å; T122-R154 WeakPolarHBondContact OG1-CG 3.46Å | ||
| 123 | A | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | trans | -164.8 | 167.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | P107 I127 V131 | P107-A123 HydrophobicContact CB-CB 4.34Å; P107-A123 HydrophobicContact CG-CB 4.1Å; A123-I127 HydrophobicContact CB-CD1 3.83Å; A123-I127 HydrophobicContact CB-CG1 3.65Å; A123-V131 HydrophobicContact CB-CG2 3.88Å | ||
| 124 | V | 98.7 | Very high | 98.8 | Very high | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | trans | -62.3 | 147.6 | 175.4 | 67.4 | 0 | 0 | 0 | 0 | 112.1 | C104 H105 P126 I127 R154 | C104-V124 VanDerWaalsContact C-CG1 3.45Å; C104-V124 HydrophobicContact CB-CB 4.36Å; C104-V124 VanDerWaalsContact O-CG1 3.24Å; C104-V124 WeakPolarHBondContact O-CG1 3.42Å; C104-V124 PolarHBondContact O-N 2.88Å; H105-V124 VanDerWaalsContact CE1-CG1 3.44Å; H105-V124 WeakPolarHBondContact CE1-CG1 3.48Å; V124-P126 VanDerWaalsContact C-CD 3.48Å; V124-P126 VanDerWaalsContact O-N 3.13Å; V124-I127 HydrophobicContact CG1-CD1 4.22Å; V124-I127 HydrophobicContact CG1-CG1 3.96Å; V124-I127 WeakPolarHBondContact O-CG1 3.13Å; V124-I127 PolarHBondContact O-N 3.01Å; V124-R154 WeakPolarHBondContact CB-O 2.94Å | ||
| 125 | K | 98.7 | Very high | 98.8 | Very high | 178 Ų | 178 | 52.2 Ų | 52.2 | 77% | 0.774 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -45.4 | -46.4 | -171.5 | -175.5 | 178.5 | -178 | 177.8 | 0 | 115.7 | I127 I128 | K125-I127 VanDerWaalsContact C-N 3.3Å; K125-I127 PolarHBondContact O-N 2.9Å; K125-I128 HydrophobicContact CB-CD1 4.47Å; K125-I128 HydrophobicContact CG-CD1 4.49Å; K125-I128 WeakPolarHBondContact O-CG1 3.24Å; K125-I128 PolarHBondContact O-N 2.9Å |
| 126 | P | 98.7 | Very high | 98.8 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -60.8 | -31.1 | -178.7 | -26.5 | 36.3 | 0 | 0 | 0 | 115.2 | V124 | V124-P126 VanDerWaalsContact C-CD 3.48Å; V124-P126 VanDerWaalsContact O-N 3.13Å |
| 127 | I | 98.7 | Very high | 98.8 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -100.6 | 5.4 | -174.3 | 73 | 174.4 | 0 | 0 | 0 | 113.3 | C104 P107 Q108 A123 V124 K125 I129 D130 V131 | C104-I127 WeakPolarHBondContact O-CD1 3.46Å; P107-I127 HydrophobicContact CB-CD1 4.22Å; Q108-I127 HydrophobicContact CG-CD1 3.8Å; Q108-I127 HydrophobicContact CG-CG2 4.04Å; A123-I127 HydrophobicContact CB-CD1 3.83Å; A123-I127 HydrophobicContact CB-CG1 3.65Å; V124-I127 HydrophobicContact CG1-CD1 4.22Å; V124-I127 HydrophobicContact CG1-CG1 3.96Å; V124-I127 WeakPolarHBondContact O-CG1 3.13Å; V124-I127 PolarHBondContact O-N 3.01Å; K125-I127 VanDerWaalsContact C-N 3.3Å; K125-I127 PolarHBondContact O-N 2.9Å; I127-I129 PolarHBondContact O-N 3.39Å; I127-D130 PolarHBondContact O-N 3.21Å; I127-D130 VanDerWaalsContact O-N 3.08Å; I127-V131 HydrophobicContact CG1-CG2 4.43Å; I127-V131 WeakPolarHBondContact O-CG2 3.43Å; I127-V131 PolarHBondContact O-N 3.24Å |
| 128 | I | 98.8 | Very high | 98.8 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.205 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.3 | -41.3 | 177.1 | -65.5 | 179.2 | 0 | 0 | 0 | 110.7 | K125 K132 F138 | K125-I128 HydrophobicContact CB-CD1 4.47Å; K125-I128 HydrophobicContact CG-CD1 4.49Å; K125-I128 WeakPolarHBondContact O-CG1 3.24Å; K125-I128 PolarHBondContact O-N 2.9Å; I128-K132 HydrophobicContact CG2-CD 4.26Å; I128-K132 WeakPolarHBondContact O-CG 3.33Å; I128-K132 PolarHBondContact O-N 3.35Å; I128-K132 VanDerWaalsContact O-N 3.07Å; I128-F138 HydrophobicContact CB-CE2 4.3Å; I128-F138 HydrophobicContact CD1-CE1 4.02Å; I128-F138 HydrophobicContact CD1-CE2 3.94Å; I128-F138 HydrophobicContact CD1-CZ 3.45Å; I128-F138 VanDerWaalsContact CD1-CZ 3.45Å; I128-F138 HydrophobicContact CG1-CD2 4.27Å; I128-F138 HydrophobicContact CG1-CE1 4.4Å; I128-F138 HydrophobicContact CG1-CE2 3.57Å; I128-F138 HydrophobicContact CG1-CZ 3.66Å; I128-F138 HydrophobicContact CG2-CD1 4.06Å; I128-F138 HydrophobicContact CG2-CD2 4.04Å; I128-F138 HydrophobicContact CG2-CE1 4.1Å; I128-F138 HydrophobicContact CG2-CE2 4.09Å; I128-F138 HydrophobicContact CG2-CG 4.03Å; I128-F138 HydrophobicContact CG2-CZ 4.13Å |
| 129 | I | 98.8 | Very high | 98.8 | Very high | 95 Ų | 95 | 51.2 Ų | 51.2 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 179.3 | -172.4 | 57.7 | 0 | 0 | 0 | 111.7 | I127 K132 N133 | I127-I129 PolarHBondContact O-N 3.39Å; I129-K132 PolarHBondContact O-N 2.67Å; I129-N133 WeakPolarHBondContact O-CB 3.4Å; I129-N133 VanDerWaalsContact O-CG 3.26Å; I129-N133 PolarHBondContact O-N 3.45Å; I129-N133 PolarHBondContact O-ND2 3.44Å |
| 130 | D | 98.9 | Very high | 98.8 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.1 | -41.6 | 179.1 | -57.9 | -36.5 | 0 | 0 | 0 | 111.2 | I111 I127 K132 N133 A134 | I111-D130 HydrophobicContact CD1-CB 3.78Å; I127-D130 PolarHBondContact O-N 3.21Å; I127-D130 VanDerWaalsContact O-N 3.08Å; D130-K132 VanDerWaalsContact C-N 3.33Å; D130-K132 PolarHBondContact O-N 2.98Å; D130-N133 PolarHBondContact O-N 3.46Å; D130-A134 WeakPolarHBondContact O-CB 3.49Å; D130-A134 PolarHBondContact O-N 3.05Å |
| 131 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 173.5 | 165.9 | 0 | 0 | 0 | 0 | 110.8 | I111 L121 A123 I127 A134 G135 A136 F138 | I111-V131 HydrophobicContact CD1-CG2 3.92Å; L121-V131 HydrophobicContact CD1-CB 4.34Å; L121-V131 HydrophobicContact CD1-CG1 3.42Å; L121-V131 VanDerWaalsContact CD1-CG1 3.42Å; L121-V131 HydrophobicContact CD1-CG2 3.9Å; L121-V131 HydrophobicContact CG-CG1 4.09Å; A123-V131 HydrophobicContact CB-CG2 3.88Å; I127-V131 HydrophobicContact CG1-CG2 4.43Å; I127-V131 WeakPolarHBondContact O-CG2 3.43Å; I127-V131 PolarHBondContact O-N 3.24Å; V131-A134 PolarHBondContact O-N 3.35Å; V131-G135 PolarHBondContact O-N 3.27Å; V131-A136 HydrophobicContact CG1-CB 3.69Å; V131-A136 WeakPolarHBondContact O-CB 3.27Å; V131-A136 PolarHBondContact O-N 3.44Å; V131-F138 HydrophobicContact CG1-CD2 4.39Å |
| 132 | K | 98.8 | Very high | 98.8 | Very high | 112 Ų | 112 | 60.7 Ų | 60.7 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.3 | -72.2 | 177.8 | 178.8 | -176.4 | 0 | 112 | I128 I129 D130 A134 G135 F138 | I128-K132 HydrophobicContact CG2-CD 4.26Å; I128-K132 WeakPolarHBondContact O-CG 3.33Å; I128-K132 PolarHBondContact O-N 3.35Å; I128-K132 VanDerWaalsContact O-N 3.07Å; I129-K132 PolarHBondContact O-N 2.67Å; D130-K132 VanDerWaalsContact C-N 3.33Å; D130-K132 PolarHBondContact O-N 2.98Å; K132-A134 VanDerWaalsContact C-N 3.29Å; K132-A134 PolarHBondContact O-N 3.03Å; K132-G135 WeakPolarHBondContact O-CA 3.17Å; K132-G135 PolarHBondContact O-N 3.12Å; K132-F138 HydrophobicContact CG-CB 4.09Å |
| 133 | N | 98.9 | Very high | 98.8 | Very high | 117 Ų | 117 | 61.6 Ų | 61.6 | 63% | 0.626 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.5 | -32.2 | 177.5 | -74.8 | -15.2 | 0 | 0 | 0 | 112.5 | I129 D130 G135 | I129-N133 WeakPolarHBondContact O-CB 3.4Å; I129-N133 VanDerWaalsContact O-CG 3.26Å; I129-N133 PolarHBondContact O-N 3.45Å; I129-N133 PolarHBondContact O-ND2 3.44Å; D130-N133 PolarHBondContact O-N 3.46Å; N133-G135 PolarHBondContact O-N 2.89Å |
| 134 | A | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 61.9 Ų | 61.9 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -5.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I111 I116 D130 V131 K132 | I111-A134 HydrophobicContact CG1-CB 4.16Å; I111-A134 HydrophobicContact CG2-CB 4.22Å; I116-A134 HydrophobicContact CD1-CB 3.72Å; I116-A134 HydrophobicContact CG1-CB 3.85Å; D130-A134 WeakPolarHBondContact O-CB 3.49Å; D130-A134 PolarHBondContact O-N 3.05Å; V131-A134 PolarHBondContact O-N 3.35Å; K132-A134 VanDerWaalsContact C-N 3.29Å; K132-A134 PolarHBondContact O-N 3.03Å |
| 135 | G | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 24% | 0.237 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 14.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G118 V131 K132 N133 | G118-G135 PolarHBondContact N-O 3.1Å; V131-G135 PolarHBondContact O-N 3.27Å; K132-G135 WeakPolarHBondContact O-CA 3.17Å; K132-G135 PolarHBondContact O-N 3.12Å; N133-G135 PolarHBondContact O-N 2.89Å |
| 136 | A | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | trans | -77.6 | 152.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | I116 R119 L121 V131 F138 | I116-A136 HydrophobicContact CB-CB 4.18Å; I116-A136 HydrophobicContact CD1-CB 4.05Å; I116-A136 HydrophobicContact CG1-CB 4.22Å; I116-A136 VanDerWaalsContact O-CA 3.31Å; I116-A136 WeakPolarHBondContact O-CA 3.42Å; I116-A136 WeakPolarHBondContact O-CB 3.39Å; R119-A136 WeakPolarHBondContact O-CA 3.16Å; L121-A136 HydrophobicContact CD2-CB 3.88Å; L121-A136 HydrophobicContact CG-CB 4.09Å; V131-A136 HydrophobicContact CG1-CB 3.69Å; V131-A136 WeakPolarHBondContact O-CB 3.27Å; V131-A136 PolarHBondContact O-N 3.44Å; A136-F138 PolarHBondContact O-N 2.93Å | ||
| 137 | E | 98.9 | Very high | 98.8 | Very high | 97 Ų | 97 | 58.5 Ų | 58.5 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.2 | 173.1 | -160.9 | 175.7 | -152.8 | 0 | 0 | 108.7 | R119 K120 L121 Y139 | R119-E137 PolarHBondContact O-N 3.49Å; K120-E137 WeakPolarHBondContact CA-O 3.2Å; K120-E137 WeakPolarHBondContact CE-OE2 3.34Å; K120-E137 HydrophobicContact CG-CB 4.42Å; L121-E137 PolarHBondContact N-O 3.36Å; L121-E137 VanDerWaalsContact N-O 3.12Å; E137-Y139 HydrophobicContact CB-CE2 4.06Å; E137-Y139 HydrophobicContact CG-CE2 3.67Å; E137-Y139 VanDerWaalsContact O-CD2 3.28Å; E137-Y139 WeakPolarHBondContact O-CD2 3.41Å; E137-Y139 PolarHBondContact OE1-OH 3.37Å; E137-Y139 PolarHBondContact OE2-OH 3.02Å |
| 138 | F | 98.9 | Very high | 98.8 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 132.8 | -175.8 | 176.8 | -90.9 | 0 | 0 | 0 | 112.3 | L121 I128 V131 K132 A136 D140 | L121-F138 WeakPolarHBondContact O-CA 3.46Å; I128-F138 HydrophobicContact CB-CE2 4.3Å; I128-F138 HydrophobicContact CD1-CE1 4.02Å; I128-F138 HydrophobicContact CD1-CE2 3.94Å; I128-F138 HydrophobicContact CD1-CZ 3.45Å; I128-F138 VanDerWaalsContact CD1-CZ 3.45Å; I128-F138 HydrophobicContact CG1-CD2 4.27Å; I128-F138 HydrophobicContact CG1-CE1 4.4Å; I128-F138 HydrophobicContact CG1-CE2 3.57Å; I128-F138 HydrophobicContact CG1-CZ 3.66Å; I128-F138 HydrophobicContact CG2-CD1 4.06Å; I128-F138 HydrophobicContact CG2-CD2 4.04Å; I128-F138 HydrophobicContact CG2-CE1 4.1Å; I128-F138 HydrophobicContact CG2-CE2 4.09Å; I128-F138 HydrophobicContact CG2-CG 4.03Å; I128-F138 HydrophobicContact CG2-CZ 4.13Å; V131-F138 HydrophobicContact CG1-CD2 4.39Å; K132-F138 HydrophobicContact CG-CB 4.09Å; A136-F138 PolarHBondContact O-N 2.93Å; F138-D140 HydrophobicContact CE1-CB 4Å; F138-D140 HydrophobicContact CZ-CB 4.41Å |
| 139 | Y | 98.9 | Very high | 98.8 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | trans | -125.6 | 127.9 | 173.1 | -67.4 | -94.4 | 0 | 0 | 0 | 111 | K120 L121 T122 E137 Q141 | K120-Y139 HydrophobicContact CB-CD2 4.1Å; K120-Y139 HydrophobicContact CB-CE2 3.82Å; K120-Y139 HydrophobicContact CD-CE2 3.79Å; K120-Y139 HydrophobicContact CG-CE2 3.75Å; L121-Y139 PolarHBondContact O-N 2.97Å; L121-Y139 VanDerWaalsContact O-N 3.09Å; T122-Y139 WeakPolarHBondContact CB-O 3.33Å; T122-Y139 PolarHBondContact OG1-O 3.16Å; E137-Y139 HydrophobicContact CB-CE2 4.06Å; E137-Y139 HydrophobicContact CG-CE2 3.67Å; E137-Y139 VanDerWaalsContact O-CD2 3.28Å; E137-Y139 WeakPolarHBondContact O-CD2 3.41Å; E137-Y139 PolarHBondContact OE1-OH 3.37Å; E137-Y139 PolarHBondContact OE2-OH 3.02Å; Y139-Q141 VanDerWaalsContact C-N 3.33Å; Y139-Q141 PolarHBondContact O-N 2.92Å | ||
| 140 | D | 98.7 | Very high | 98.8 | Very high | 117 Ų | 117 | 57.8 Ų | 57.8 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | trans | -81.3 | 79.9 | 175 | -172.1 | 22.2 | 0 | 0 | 0 | 110.8 | F138 R154 | F138-D140 HydrophobicContact CE1-CB 4Å; F138-D140 HydrophobicContact CZ-CB 4.41Å; D140-R154 WeakPolarHBondContact OD1-CD 3.43Å; D140-R154 IonicContact OD1-CZ 2.8Å; D140-R154 IonicContact OD1-NE 3.03Å; D140-R154 IonicContact OD1-NH1 3.96Å; D140-R154 PolarHBondContact OD1-NH1 3.19Å | ||
| 141 | Q | 98.8 | Very high | 98.8 | Very high | 98 Ų | 98 | 55 Ų | 55 | 46% | 0.458 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -132.8 | 155 | -179.4 | -65.6 | 179.9 | -38.2 | 0 | 0 | 110.2 | Y139 V143 V144 R154 | Y139-Q141 VanDerWaalsContact C-N 3.33Å; Y139-Q141 PolarHBondContact O-N 2.92Å; Q141-V143 PolarHBondContact O-N 3.08Å; Q141-V144 HydrophobicContact CB-CG2 4.04Å; Q141-R154 WeakPolarHBondContact O-CD 3.27Å; Q141-R154 PolarHBondContact O-NE 3.26Å |
| 142 | E | 98.7 | Very high | 98.8 | Very high | 96 Ų | 96 | 55 Ų | 55 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -58.5 | -37.6 | 175.9 | 62.5 | 175.6 | -149.9 | 0 | 0 | 111.7 | S153 D158 A161 R164 | E142-S153 WeakPolarHBondContact O-CA 3.34Å; E142-S153 VanDerWaalsContact O-CB 3.23Å; E142-S153 WeakPolarHBondContact O-CB 3.45Å; E142-S153 PolarHBondContact O-OG 3.43Å; E142-D158 WeakPolarHBondContact CA-OD1 3.49Å; E142-D158 HydrophobicContact CB-CB 4.35Å; E142-D158 WeakPolarHBondContact CB-OD1 3.2Å; E142-D158 VanDerWaalsContact O-CB 3.29Å; E142-D158 WeakPolarHBondContact O-CB 3.33Å; E142-A161 HydrophobicContact CB-CB 4.19Å; E142-A161 VanDerWaalsContact CD-CB 3.48Å; E142-A161 HydrophobicContact CG-CB 3.72Å; E142-A161 WeakPolarHBondContact OE1-CB 3.34Å; E142-R164 IonicContact OE1-NH1 3.14Å; E142-R164 IonicContact OE1-NH2 2.87Å |
| 143 | V | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | trans | -144.5 | 138.5 | 175.6 | 70.3 | 0 | 0 | 0 | 0 | 109.5 | Q141 V145 V151 T152 A161 E165 | Q141-V143 PolarHBondContact O-N 3.08Å; V143-V145 HydrophobicContact CG2-CG2 4.35Å; V143-V151 HydrophobicContact CG2-CG1 3.68Å; V143-T152 CarbonylContact C-O 3.44Å; V143-T152 VanDerWaalsContact CA-O 3.27Å; V143-T152 WeakPolarHBondContact CA-O 3.44Å; V143-A161 HydrophobicContact CB-CB 3.94Å; V143-A161 HydrophobicContact CG1-CB 3.91Å; V143-E165 HydrophobicContact CG1-CG 3.95Å; V143-E165 HydrophobicContact CG2-CB 4.17Å; V143-E165 HydrophobicContact CG2-CG 3.82Å | ||
| 144 | V | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.2 | 170.6 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | K120 T122 Q141 V151 T152 | K120-V144 HydrophobicContact CB-CG1 3.97Å; T122-V144 HydrophobicContact CG2-CB 4.45Å; T122-V144 HydrophobicContact CG2-CG2 3.96Å; Q141-V144 HydrophobicContact CB-CG2 4.04Å; V144-V151 WeakPolarHBondContact O-CA 3.34Å; V144-T152 PolarHBondContact N-O 3.04Å; V144-T152 PolarHBondContact O-N 2.8Å; V144-T152 PolarHBondContact O-OG1 3.01Å |
| 145 | V | 98.9 | Very high | 98.8 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 115.9 | 175.1 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | V143 L150 V151 E165 L169 | V143-V145 HydrophobicContact CG2-CG2 4.35Å; V145-L150 WeakPolarHBondContact CA-O 3.44Å; V145-V151 HydrophobicContact CG1-CG2 4.35Å; V145-V151 HydrophobicContact CG2-CG1 4.47Å; V145-V151 HydrophobicContact CG2-CG2 4.25Å; V145-E165 HydrophobicContact CG2-CB 3.8Å; V145-E165 HydrophobicContact CG2-CG 3.69Å; V145-L169 HydrophobicContact CG1-CD1 4.49Å |
| 146 | D | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.7 | 176.4 | -178.7 | -82.3 | 0 | 0 | 0 | 111.1 | R119 K120 D148 Q149 L150 | R119-D146 IonicContact CZ-OD1 3.51Å; R119-D146 IonicContact NE-OD1 3.72Å; R119-D146 PolarHBondContact NE-OD1 3.49Å; R119-D146 IonicContact NH2-OD1 2.9Å; R119-D146 PolarHBondContact NH2-OD1 3.01Å; K120-D146 HydrophobicContact CB-CB 4.18Å; K120-D146 PolarHBondContact N-OD2 3.27Å; K120-D146 VanDerWaalsContact O-CB 3.26Å; K120-D146 WeakPolarHBondContact O-CB 3.4Å; D146-D148 VanDerWaalsContact C-N 3.26Å; D146-D148 PolarHBondContact O-N 2.98Å; D146-Q149 PolarHBondContact O-N 3.19Å; D146-L150 HydrophobicContact CB-CB 4.32Å; D146-L150 PolarHBondContact N-O 3.43Å; D146-L150 PolarHBondContact O-N 3.3Å |
| 147 | K | 98.5 | Very high | 98.8 | Very high | 158 Ų | 158 | 55.6 Ų | 55.6 | 69% | 0.687 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 38.1 | 175.6 | -62.1 | 175.3 | -176.4 | -179.4 | 0 | 114.2 | Q149 | K147-Q149 PolarHBondContact O-N 2.92Å; K147-Q149 VanDerWaalsContact O-N 3.08Å |
| 148 | D | 98.6 | Very high | 98.8 | Very high | 104 Ų | 104 | 51.5 Ų | 51.5 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 33.9 | -176.1 | -72.1 | -66.6 | 0 | 0 | 0 | 113.3 | D146 R168 L169 | D146-D148 VanDerWaalsContact C-N 3.26Å; D146-D148 PolarHBondContact O-N 2.98Å; D148-R168 IonicContact OD1-CZ 2.81Å; D148-R168 IonicContact OD1-NH1 3.7Å; D148-R168 PolarHBondContact OD1-NH1 3.26Å; D148-R168 VanDerWaalsContact OD1-NH1 3.07Å; D148-R168 IonicContact OD1-NH2 3.72Å; D148-R168 PolarHBondContact OD1-NH2 2.71Å; D148-L169 HydrophobicContact CB-CD2 4.02Å; D148-L169 WeakPolarHBondContact O-CD2 3.5Å |
| 149 | Q | 98.7 | Very high | 98.8 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -60.2 | -174.7 | -174 | -160.6 | 21.4 | 0 | 0 | 112 | V94 G97 K98 P99 V100 D146 K147 | V94-Q149 PolarHBondContact O-NE2 3.43Å; G97-Q149 VanDerWaalsContact CA-NE2 3.27Å; K98-Q149 WeakPolarHBondContact O-CG 3.24Å; K98-Q149 PolarHBondContact O-NE2 2.9Å; P99-Q149 VanDerWaalsContact CA-O 3.31Å; P99-Q149 WeakPolarHBondContact CA-O 3.48Å; V100-Q149 PolarHBondContact N-O 3.43Å; D146-Q149 PolarHBondContact O-N 3.19Å; K147-Q149 PolarHBondContact O-N 2.92Å; K147-Q149 VanDerWaalsContact O-N 3.08Å |
| 150 | L | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 107.8 | -171.1 | 178.4 | 63.1 | 0 | 0 | 0 | 109.3 | V100 L110 I116 R119 L121 V145 D146 T152 | V100-L150 HydrophobicContact CB-CD1 4.23Å; V100-L150 HydrophobicContact CG1-CD1 4.37Å; L110-L150 HydrophobicContact CD1-CD1 3.6Å; L110-L150 HydrophobicContact CD1-CD2 4.44Å; I116-L150 HydrophobicContact CG2-CD2 4.4Å; R119-L150 HydrophobicContact CB-CD2 4.43Å; L121-L150 HydrophobicContact CB-CD2 4.36Å; L121-L150 HydrophobicContact CD2-CD2 3.95Å; V145-L150 WeakPolarHBondContact CA-O 3.44Å; D146-L150 HydrophobicContact CB-CB 4.32Å; D146-L150 PolarHBondContact N-O 3.43Å; D146-L150 PolarHBondContact O-N 3.3Å; L150-T152 HydrophobicContact CD1-CG2 4.06Å; L150-T152 HydrophobicContact CG-CG2 4.1Å |
| 151 | V | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.8 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | V100 F101 A102 V143 V144 V145 F162 E165 L169 | V100-V151 PolarHBondContact O-N 3.06Å; F101-V151 CarbonylContact C-O 3.55Å; F101-V151 WeakPolarHBondContact CA-O 3.37Å; F101-V151 HydrophobicContact CD1-CB 3.97Å; F101-V151 HydrophobicContact CD1-CG2 3.89Å; F101-V151 HydrophobicContact CE1-CG2 4.28Å; A102-V151 PolarHBondContact N-O 3.19Å; V143-V151 HydrophobicContact CG2-CG1 3.68Å; V144-V151 WeakPolarHBondContact O-CA 3.34Å; V145-V151 HydrophobicContact CG1-CG2 4.35Å; V145-V151 HydrophobicContact CG2-CG1 4.47Å; V145-V151 HydrophobicContact CG2-CG2 4.25Å; V151-F162 HydrophobicContact CG1-CD2 4.1Å; V151-F162 HydrophobicContact CG1-CE2 4.36Å; V151-E165 HydrophobicContact CG1-CB 3.83Å; V151-E165 HydrophobicContact CG2-CB 4.28Å; V151-L169 HydrophobicContact CG2-CD1 3.49Å; V151-L169 VanDerWaalsContact CG2-CD1 3.49Å; V151-L169 HydrophobicContact CG2-CG 4.39Å |
| 152 | T | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 146.8 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 113 | A102 P107 L121 T122 V143 V144 L150 | A102-T152 HydrophobicContact CB-CG2 4.26Å; A102-T152 WeakPolarHBondContact O-CA 3.14Å; A102-T152 WeakPolarHBondContact O-CB 3.34Å; P107-T152 HydrophobicContact CG-CG2 4.44Å; L121-T152 WeakPolarHBondContact CA-OG1 3.45Å; L121-T152 HydrophobicContact CB-CG2 3.88Å; L121-T152 WeakPolarHBondContact CB-OG1 3.23Å; T122-T152 VanDerWaalsContact CG2-C 3.5Å; T122-T152 VanDerWaalsContact CG2-O 3.26Å; T122-T152 WeakPolarHBondContact CG2-O 3.33Å; T122-T152 PolarHBondContact N-OG1 3.26Å; T122-T152 WeakPolarHBondContact O-CB 2.98Å; V143-T152 CarbonylContact C-O 3.44Å; V143-T152 VanDerWaalsContact CA-O 3.27Å; V143-T152 WeakPolarHBondContact CA-O 3.44Å; V144-T152 PolarHBondContact N-O 3.04Å; V144-T152 PolarHBondContact O-N 2.8Å; V144-T152 PolarHBondContact O-OG1 3.01Å; L150-T152 HydrophobicContact CD1-CG2 4.06Å; L150-T152 HydrophobicContact CG-CG2 4.1Å |
| 153 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.8 | 179.8 | -75 | 0 | 0 | 0 | 0 | 111.1 | A102 I103 C104 E142 F162 | A102-S153 PolarHBondContact O-N 2.84Å; I103-S153 WeakPolarHBondContact CA-O 3.38Å; C104-S153 PolarHBondContact N-O 3.36Å; E142-S153 WeakPolarHBondContact O-CA 3.34Å; E142-S153 VanDerWaalsContact O-CB 3.23Å; E142-S153 WeakPolarHBondContact O-CB 3.45Å; E142-S153 PolarHBondContact O-OG 3.43Å; S153-F162 WeakPolarHBondContact OG-CB 3.47Å |
| 154 | R | 98.9 | Very high | 98.8 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 24% | 0.242 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -92.9 | -40.9 | -167.9 | -54 | 161.9 | -64.2 | -174.8 | 0.4 | 113.6 | C104 T122 V124 D140 Q141 D158 | C104-R154 VanDerWaalsContact CA-O 3.23Å; C104-R154 WeakPolarHBondContact CA-O 3.44Å; C104-R154 WeakPolarHBondContact CB-O 3.27Å; T122-R154 HydrophobicContact CG2-CG 3.93Å; T122-R154 WeakPolarHBondContact OG1-CG 3.46Å; V124-R154 WeakPolarHBondContact CB-O 2.94Å; D140-R154 WeakPolarHBondContact OD1-CD 3.43Å; D140-R154 IonicContact OD1-CZ 2.8Å; D140-R154 IonicContact OD1-NE 3.03Å; D140-R154 IonicContact OD1-NH1 3.96Å; D140-R154 PolarHBondContact OD1-NH1 3.19Å; Q141-R154 WeakPolarHBondContact O-CD 3.27Å; Q141-R154 PolarHBondContact O-NE 3.26Å; R154-D158 WeakPolarHBondContact CA-OD2 3.23Å; R154-D158 WeakPolarHBondContact CB-OD2 3.18Å; R154-D158 IonicContact CZ-OD1 3.61Å; R154-D158 IonicContact CZ-OD2 3.86Å; R154-D158 PolarHBondContact N-OD2 2.71Å; R154-D158 IonicContact NE-OD1 3.26Å; R154-D158 IonicContact NE-OD2 3.88Å; R154-D158 PolarHBondContact NE-OD2 2.94Å; R154-D158 IonicContact NH2-OD1 3.95Å; R154-D158 PolarHBondContact NH2-OD1 2.87Å; R154-D158 IonicContact NH2-OD2 2.73Å |
| 155 | T | 98.8 | Very high | 98.8 | Very high | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -149.1 | 171.6 | -170.2 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | D157 D158 | T155-D157 PolarHBondContact O-N 2.83Å; T155-D157 VanDerWaalsContact O-N 3.17Å; T155-D157 PolarHBondContact OG1-N 2.92Å; T155-D158 PolarHBondContact N-OD2 3.38Å; T155-D158 WeakPolarHBondContact O-CB 3.34Å; T155-D158 PolarHBondContact O-N 2.72Å |
| 156 | P | 98.7 | Very high | 98.8 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 26% | 0.26 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -54.7 | -28.1 | 171.5 | -31.1 | 38.8 | 0 | 0 | 0 | 115 | E14 S16 E17 D158 L159 | E14-P156 HydrophobicContact CG-CG 3.86Å; S16-P156 WeakPolarHBondContact OG-CB 3.48Å; E17-P156 HydrophobicContact CG-CG 4.22Å; E17-P156 WeakPolarHBondContact OE1-CD 3.25Å; P156-D158 PolarHBondContact O-N 3.4Å; P156-L159 HydrophobicContact CB-CD1 4.14Å; P156-L159 VanDerWaalsContact O-CB 3.24Å; P156-L159 WeakPolarHBondContact O-CB 3.49Å; P156-L159 WeakPolarHBondContact O-CD1 3.42Å; P156-L159 WeakPolarHBondContact O-CG 3.27Å; P156-L159 PolarHBondContact O-N 3.17Å; P156-L159 VanDerWaalsContact O-N 3.12Å |
| 157 | D | 98.7 | Very high | 98.8 | Very high | 141 Ų | 141 | 41.8 Ų | 41.8 | 75% | 0.754 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -65.2 | -23.4 | 177.2 | -58.1 | -49.3 | 0 | 0 | 0 | 112.4 | T155 L159 P160 | T155-D157 PolarHBondContact O-N 2.83Å; T155-D157 VanDerWaalsContact O-N 3.17Å; T155-D157 PolarHBondContact OG1-N 2.92Å; D157-L159 VanDerWaalsContact C-N 3.33Å; D157-P160 WeakPolarHBondContact O-CD 3.48Å |
| 158 | D | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -86.7 | -1.7 | 178.5 | -64.3 | -30.4 | 0 | 0 | 0 | 112.7 | E142 R154 T155 P156 P160 A161 F162 | E142-D158 WeakPolarHBondContact CA-OD1 3.49Å; E142-D158 HydrophobicContact CB-CB 4.35Å; E142-D158 WeakPolarHBondContact CB-OD1 3.2Å; E142-D158 VanDerWaalsContact O-CB 3.29Å; E142-D158 WeakPolarHBondContact O-CB 3.33Å; R154-D158 WeakPolarHBondContact CA-OD2 3.23Å; R154-D158 WeakPolarHBondContact CB-OD2 3.18Å; R154-D158 IonicContact CZ-OD1 3.61Å; R154-D158 IonicContact CZ-OD2 3.86Å; R154-D158 PolarHBondContact N-OD2 2.71Å; R154-D158 IonicContact NE-OD1 3.26Å; R154-D158 IonicContact NE-OD2 3.88Å; R154-D158 PolarHBondContact NE-OD2 2.94Å; R154-D158 IonicContact NH2-OD1 3.95Å; R154-D158 PolarHBondContact NH2-OD1 2.87Å; R154-D158 IonicContact NH2-OD2 2.73Å; T155-D158 PolarHBondContact N-OD2 3.38Å; T155-D158 WeakPolarHBondContact O-CB 3.34Å; T155-D158 PolarHBondContact O-N 2.72Å; P156-D158 PolarHBondContact O-N 3.4Å; D158-P160 VanDerWaalsContact C-CD 3.41Å; D158-P160 VanDerWaalsContact C-N 3.35Å; D158-A161 PolarHBondContact O-N 3.34Å; D158-F162 PolarHBondContact O-N 3.47Å |
| 159 | L | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.6 | -40 | -178.6 | -79.4 | 168.2 | 0 | 0 | 0 | 114.5 | P21 I103 P156 D157 A161 F162 N163 | P21-L159 HydrophobicContact CG-CD2 3.99Å; I103-L159 HydrophobicContact CD1-CD2 3.81Å; I103-L159 HydrophobicContact CD1-CG 4.22Å; P156-L159 HydrophobicContact CB-CD1 4.14Å; P156-L159 VanDerWaalsContact O-CB 3.24Å; P156-L159 WeakPolarHBondContact O-CB 3.49Å; P156-L159 WeakPolarHBondContact O-CD1 3.42Å; P156-L159 WeakPolarHBondContact O-CG 3.27Å; P156-L159 PolarHBondContact O-N 3.17Å; P156-L159 VanDerWaalsContact O-N 3.12Å; D157-L159 VanDerWaalsContact C-N 3.33Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.38Å; L159-F162 HydrophobicContact CD2-CD1 4.34Å; L159-F162 PolarHBondContact O-N 3.39Å; L159-N163 WeakPolarHBondContact O-CB 3.29Å; L159-N163 PolarHBondContact O-N 3.25Å; L159-N163 PolarHBondContact O-ND2 3Å |
| 160 | P | 98.9 | Very high | 98.8 | Very high | 96 Ų | 96 | 35.7 Ų | 35.7 | 62% | 0.623 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -58 | -41.6 | 176 | -26 | 35.9 | 0 | 0 | 0 | 112.9 | D157 D158 R164 | D157-P160 WeakPolarHBondContact O-CD 3.48Å; D158-P160 VanDerWaalsContact C-CD 3.41Å; D158-P160 VanDerWaalsContact C-N 3.35Å; P160-R164 WeakPolarHBondContact O-CB 3.28Å; P160-R164 PolarHBondContact O-N 2.81Å |
| 161 | A | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -75.3 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E142 V143 D158 L159 R164 E165 | E142-A161 HydrophobicContact CB-CB 4.19Å; E142-A161 VanDerWaalsContact CD-CB 3.48Å; E142-A161 HydrophobicContact CG-CB 3.72Å; E142-A161 WeakPolarHBondContact OE1-CB 3.34Å; V143-A161 HydrophobicContact CB-CB 3.94Å; V143-A161 HydrophobicContact CG1-CB 3.91Å; D158-A161 PolarHBondContact O-N 3.34Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.38Å; A161-R164 PolarHBondContact O-N 3.3Å; A161-E165 PolarHBondContact O-N 3.47Å |
| 162 | F | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.8 | -52.7 | 175 | -177.2 | -104.2 | 0 | 0 | 0 | 111.9 | P21 L70 F101 I103 V151 S153 D158 L159 R164 E165 A166 | P21-F162 HydrophobicContact CB-CE1 4.18Å; P21-F162 HydrophobicContact CG-CD1 4Å; P21-F162 HydrophobicContact CG-CE1 3.74Å; L70-F162 HydrophobicContact CD1-CE1 3.73Å; L70-F162 HydrophobicContact CD1-CZ 3.69Å; F101-F162 HydrophobicContact CB-CE1 4.21Å; F101-F162 HydrophobicContact CB-CE2 3.85Å; F101-F162 HydrophobicContact CB-CZ 3.38Å; I103-F162 HydrophobicContact CB-CD2 4.2Å; I103-F162 HydrophobicContact CB-CE2 3.91Å; I103-F162 HydrophobicContact CB-CZ 4.09Å; I103-F162 HydrophobicContact CD1-CB 4.27Å; I103-F162 HydrophobicContact CD1-CD1 4.35Å; I103-F162 HydrophobicContact CD1-CD2 4.33Å; I103-F162 HydrophobicContact CD1-CG 4.07Å; I103-F162 HydrophobicContact CG2-CE1 4.5Å; I103-F162 HydrophobicContact CG2-CZ 4.22Å; V151-F162 HydrophobicContact CG1-CD2 4.1Å; V151-F162 HydrophobicContact CG1-CE2 4.36Å; S153-F162 WeakPolarHBondContact OG-CB 3.47Å; D158-F162 PolarHBondContact O-N 3.47Å; L159-F162 HydrophobicContact CD2-CD1 4.34Å; L159-F162 PolarHBondContact O-N 3.39Å; F162-R164 VanDerWaalsContact C-N 3.33Å; F162-R164 PolarHBondContact O-N 3.14Å; F162-E165 PolarHBondContact O-N 3.11Å; F162-A166 WeakPolarHBondContact O-CB 3.33Å; F162-A166 PolarHBondContact O-N 3.34Å |
| 163 | N | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.9 | -39.6 | -178.4 | -66.6 | -19.6 | 0 | 0 | 0 | 111.4 | S20 P21 E24 L159 A166 L167 | S20-N163 PolarHBondContact OG-ND2 3.24Å; P21-N163 WeakPolarHBondContact CA-OD1 3.47Å; P21-N163 WeakPolarHBondContact CG-OD1 3.31Å; E24-N163 HydrophobicContact CG-CB 4.23Å; L159-N163 WeakPolarHBondContact O-CB 3.29Å; L159-N163 PolarHBondContact O-N 3.25Å; L159-N163 PolarHBondContact O-ND2 3Å; N163-A166 PolarHBondContact O-N 2.85Å; N163-L167 WeakPolarHBondContact O-CB 3.46Å; N163-L167 WeakPolarHBondContact O-CG 3.5Å; N163-L167 PolarHBondContact O-N 2.75Å |
| 164 | R | 98.8 | Very high | 97.2 | Very high | 120 Ų | 120 | 48.1 Ų | 48.1 | 45% | 0.453 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.7 | -52.8 | 176.5 | -179.6 | -171 | 70.2 | -128.1 | -1.2 | 111.7 | E142 P160 A161 F162 R168 | E142-R164 IonicContact OE1-NH1 3.14Å; E142-R164 IonicContact OE1-NH2 2.87Å; P160-R164 WeakPolarHBondContact O-CB 3.28Å; P160-R164 PolarHBondContact O-N 2.81Å; A161-R164 PolarHBondContact O-N 3.3Å; F162-R164 VanDerWaalsContact C-N 3.33Å; F162-R164 PolarHBondContact O-N 3.14Å; R164-R168 WeakPolarHBondContact O-CB 3.25Å; R164-R168 PolarHBondContact O-N 3.07Å |
| 165 | E | 98.9 | Very high | 97.1 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.1 | -35 | -178 | -62.2 | -52.2 | 136.9 | 0 | 0 | 112.3 | V143 V145 V151 A161 F162 R168 L169 | V143-E165 HydrophobicContact CG1-CG 3.95Å; V143-E165 HydrophobicContact CG2-CB 4.17Å; V143-E165 HydrophobicContact CG2-CG 3.82Å; V145-E165 HydrophobicContact CG2-CB 3.8Å; V145-E165 HydrophobicContact CG2-CG 3.69Å; V151-E165 HydrophobicContact CG1-CB 3.83Å; V151-E165 HydrophobicContact CG2-CB 4.28Å; A161-E165 PolarHBondContact O-N 3.47Å; F162-E165 PolarHBondContact O-N 3.11Å; E165-R168 PolarHBondContact O-N 2.76Å; E165-R168 IonicContact OE2-CZ 3.4Å; E165-R168 IonicContact OE2-NE 3.07Å; E165-R168 PolarHBondContact OE2-NE 2.91Å; E165-R168 IonicContact OE2-NH2 2.76Å; E165-L169 WeakPolarHBondContact O-CG 3.37Å; E165-L169 PolarHBondContact O-N 2.84Å; E165-L169 VanDerWaalsContact O-N 3.08Å |
| 166 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F25 F101 F162 N163 R168 L169 L170 | F25-A166 HydrophobicContact CE1-CB 3.76Å; F25-A166 HydrophobicContact CZ-CB 3.92Å; F101-A166 HydrophobicContact CD1-CB 3.83Å; F101-A166 HydrophobicContact CD2-CB 4.11Å; F101-A166 HydrophobicContact CE1-CB 3.93Å; F101-A166 HydrophobicContact CE2-CB 4.2Å; F101-A166 HydrophobicContact CG-CB 3.91Å; F101-A166 HydrophobicContact CZ-CB 4.12Å; F162-A166 WeakPolarHBondContact O-CB 3.33Å; F162-A166 PolarHBondContact O-N 3.34Å; N163-A166 PolarHBondContact O-N 2.85Å; A166-R168 PolarHBondContact O-N 2.98Å; A166-L169 PolarHBondContact O-N 2.84Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 2.97Å; A166-L170 VanDerWaalsContact O-N 3.13Å |
| 167 | L | 98.7 | Very high | 96.9 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.3 | -75.3 | 173.7 | 0 | 0 | 0 | 112.1 | E24 F25 A28 N163 L169 L170 G171 A172 | E24-L167 HydrophobicContact CB-CD1 4.26Å; F25-L167 HydrophobicContact CD1-CD2 3.97Å; A28-L167 HydrophobicContact CB-CD2 3.64Å; N163-L167 WeakPolarHBondContact O-CB 3.46Å; N163-L167 WeakPolarHBondContact O-CG 3.5Å; N163-L167 PolarHBondContact O-N 2.75Å; L167-L169 VanDerWaalsContact C-N 3.28Å; L167-L169 PolarHBondContact O-N 2.5Å; L167-L170 CarbonylContact O-C 3.54Å; L167-L170 WeakPolarHBondContact O-CA 3.46Å; L167-L170 PolarHBondContact O-N 3.39Å; L167-G171 PolarHBondContact O-N 2.77Å; L167-A172 HydrophobicContact CB-CB 4.13Å; L167-A172 HydrophobicContact CD2-CB 3.82Å; L167-A172 PolarHBondContact O-N 3.44Å |
| 168 | R | 98.6 | Very high | 96.8 | Very high | 113 Ų | 113 | 41.9 Ų | 41.9 | 43% | 0.426 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.5 | -45.1 | 175.7 | -173.6 | -173.7 | 70.9 | 80.2 | -5.5 | 111.6 | D148 R164 E165 A166 L170 G171 | D148-R168 IonicContact OD1-CZ 2.81Å; D148-R168 IonicContact OD1-NH1 3.7Å; D148-R168 PolarHBondContact OD1-NH1 3.26Å; D148-R168 VanDerWaalsContact OD1-NH1 3.07Å; D148-R168 IonicContact OD1-NH2 3.72Å; D148-R168 PolarHBondContact OD1-NH2 2.71Å; R164-R168 WeakPolarHBondContact O-CB 3.25Å; R164-R168 PolarHBondContact O-N 3.07Å; E165-R168 PolarHBondContact O-N 2.76Å; E165-R168 IonicContact OE2-CZ 3.4Å; E165-R168 IonicContact OE2-NE 3.07Å; E165-R168 PolarHBondContact OE2-NE 2.91Å; E165-R168 IonicContact OE2-NH2 2.76Å; A166-R168 PolarHBondContact O-N 2.98Å; R168-L170 VanDerWaalsContact C-N 3.31Å; R168-L170 PolarHBondContact O-N 2.93Å; R168-G171 PolarHBondContact O-N 3.24Å |
| 169 | L | 98.5 | Very high | 96.7 | Very high | 31 Ų | 31 | 44.1 Ų | 44.1 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.8 | -21.9 | 178.8 | -66.3 | -171 | 0 | 0 | 0 | 113.5 | P99 F101 V145 D148 V151 E165 A166 L167 G171 | P99-L169 HydrophobicContact CB-CB 4.22Å; P99-L169 HydrophobicContact CB-CD1 4.18Å; P99-L169 HydrophobicContact CG-CB 4.13Å; F101-L169 HydrophobicContact CE1-CB 4.36Å; F101-L169 HydrophobicContact CE1-CD1 4.39Å; V145-L169 HydrophobicContact CG1-CD1 4.49Å; D148-L169 HydrophobicContact CB-CD2 4.02Å; D148-L169 WeakPolarHBondContact O-CD2 3.5Å; V151-L169 HydrophobicContact CG2-CD1 3.49Å; V151-L169 VanDerWaalsContact CG2-CD1 3.49Å; V151-L169 HydrophobicContact CG2-CG 4.39Å; E165-L169 WeakPolarHBondContact O-CG 3.37Å; E165-L169 PolarHBondContact O-N 2.84Å; E165-L169 VanDerWaalsContact O-N 3.08Å; A166-L169 PolarHBondContact O-N 2.84Å; L167-L169 VanDerWaalsContact C-N 3.28Å; L167-L169 PolarHBondContact O-N 2.5Å; L169-G171 VanDerWaalsContact C-N 3.32Å |
| 170 | L | 98.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -81.8 | -11.6 | 172.6 | -66.9 | 170 | 0 | 0 | 0 | 113 | K3 I5 F25 A68 F101 A166 L167 R168 | K3-L170 HydrophobicContact CB-CD2 4.29Å; K3-L170 HydrophobicContact CD-CB 4.24Å; K3-L170 HydrophobicContact CD-CD2 3.7Å; K3-L170 WeakPolarHBondContact CD-O 3.25Å; K3-L170 WeakPolarHBondContact CE-O 3.47Å; I5-L170 HydrophobicContact CD1-CD1 4.11Å; I5-L170 HydrophobicContact CD1-CD2 4.45Å; I5-L170 HydrophobicContact CG1-CD1 4.08Å; I5-L170 HydrophobicContact CG1-CD2 4.21Å; F25-L170 HydrophobicContact CD1-CD1 3.77Å; F25-L170 HydrophobicContact CE1-CD1 3.85Å; F25-L170 HydrophobicContact CG-CD1 4.41Å; A68-L170 HydrophobicContact CB-CD2 3.75Å; F101-L170 HydrophobicContact CE2-CD1 4.14Å; F101-L170 HydrophobicContact CE2-CD2 4.41Å; F101-L170 HydrophobicContact CE2-CG 4.33Å; F101-L170 HydrophobicContact CZ-CD1 4.19Å; F101-L170 HydrophobicContact CZ-CD2 4.11Å; F101-L170 HydrophobicContact CZ-CG 3.93Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 2.97Å; A166-L170 VanDerWaalsContact O-N 3.13Å; L167-L170 CarbonylContact O-C 3.54Å; L167-L170 WeakPolarHBondContact O-CA 3.46Å; L167-L170 PolarHBondContact O-N 3.39Å; R168-L170 VanDerWaalsContact C-N 3.31Å; R168-L170 PolarHBondContact O-N 2.93Å |
| 171 | G | 93.6 | Very high | 96.3 | Very high | 71 Ų | 71 | 42.3 Ų | 42.3 | 73% | 0.732 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 31 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L167 R168 L169 | L167-G171 PolarHBondContact O-N 2.77Å; R168-G171 PolarHBondContact O-N 3.24Å; L169-G171 VanDerWaalsContact C-N 3.32Å |
| 172 | A | 75 | Confident | 96.1 | Very high | 96 Ų | 96 | 46 Ų | 46 | 79% | 0.793 | 27% | 0.268 | S | S | * | . | trans | -101.5 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A28 L167 | A28-A172 HydrophobicContact CB-CB 3.74Å; L167-A172 HydrophobicContact CB-CB 4.13Å; L167-A172 HydrophobicContact CD2-CB 3.82Å; L167-A172 PolarHBondContact O-N 3.44Å |
Retrieved 172 of 172 residues in 92.3 ms
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