A0A3Q0KEX5_SCHMA Loading...

Isoleucine--tRNA ligase, cytoplasmic

Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.

AlphaFold DB , UniProt , Accession A0A3Q0KEX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,267 aa.

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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
1M31.1Very low29.1Very low189 Ų189120.3 Ų120.393%0.93167%0.668SS**  0-16.50-102.3175.5165.400113.9Q3 R4M1-Q3 PolarHBondContact O-N 2.63Å; M1-R4 PolarHBondContact O-N 2.6Å
2V27.8Very low30.1Very low92 Ų92117.7 Ų117.756%0.55865%0.651SS**THydrogen-bonded Turntrans-59.9-24.1172.9179.40000113.9R4 S5V2-R4 VanDerWaalsContact C-N 3.29Å; V2-R4 PolarHBondContact O-N 3.2Å; V2-S5 PolarHBondContact O-OG 2.73Å
3Q28.8Very low31.1Very low198 Ų198120.8 Ų120.893%0.92565%0.654SS**THydrogen-bonded Turntrans-72.7-12.5171.6-85.6-175.7-19.700114.8M1M1-Q3 PolarHBondContact O-N 2.63Å
4R29.2Very low32.3Very low221 Ų221117.8 Ų117.883%0.83465%0.647SS**THydrogen-bonded Turntrans-102-17.4-176.6-80.1-171.2177.9-179.6-0.3114.5M1 V2M1-R4 PolarHBondContact O-N 2.6Å; V2-R4 VanDerWaalsContact C-N 3.29Å; V2-R4 PolarHBondContact O-N 3.2Å
5S28.3Very low34.2Very low61 Ų61120.7 Ų120.743%0.42765%0.654SS.*SBendtrans-85.8114.5166.549.10000107.6V2 V7V2-S5 PolarHBondContact O-OG 2.73Å; S5-V7 PolarHBondContact O-N 3.47Å
6G25Very low36.4Very low89 Ų89113.9 Ų113.992%0.91862%0.617SS**  trans-65.841.1-18000000115.3G8G6-G8 PolarHBondContact O-N 3.15Å; G6-G8 VanDerWaalsContact O-N 3.1Å
7V27.6Very low38.3Very low86 Ų86110.4 Ų110.452%0.52160%0.601SS.*  trans-72.497.3169.1-176.60000106S5 D11S5-V7 PolarHBondContact O-N 3.47Å; V7-D11 HydrophobicContact CG1-CB 3.6Å
8G25.8Very low39.9Very low41 Ų41110 Ų11042%0.42361%0.608SS.*  trans-57.4160.717600000110.9G6 S10 D11G6-G8 PolarHBondContact O-N 3.15Å; G6-G8 VanDerWaalsContact O-N 3.1Å; G8-S10 PolarHBondContact O-N 2.69Å; G8-D11 PolarHBondContact O-N 3.44Å
9F32.3Very low41.6Very low160 Ų160111.2 Ų111.270%0.70261%0.612SS**THydrogen-bonded Turntrans-49.9-3.7170.2-87.1-91.3000114.7L690F9-L690 HydrophobicContact CE1-CD2 4.12Å; F9-L690 HydrophobicContact CZ-CD2 4.38Å
10S29.8Very low43.6Very low71 Ų71106.5 Ų106.550%0.49759%0.587SS.*THydrogen-bonded Turntrans-76.1-30.7177.852.20000115G8 L12 K13G8-S10 PolarHBondContact O-N 2.69Å; S10-L12 PolarHBondContact O-N 3.14Å; S10-K13 WeakPolarHBondContact O-CB 3.47Å; S10-K13 PolarHBondContact O-N 2.87Å
11D34.1Very low45.8Very low115 Ų115105.8 Ų105.862%0.61558%0.582SS**THydrogen-bonded Turntrans-89.3-8.7-162.9-64.5-2.3000114.1V7 G8 K13V7-D11 HydrophobicContact CG1-CB 3.6Å; G8-D11 PolarHBondContact O-N 3.44Å; D11-K13 VanDerWaalsContact C-N 3.29Å
12L41.9Very low48.7Very low89 Ų8997 Ų9747%0.46654%0.54SS..THydrogen-bonded Turntrans-86.87.3171.2-92.7142.1000113.4S10 S14 Y802S10-L12 PolarHBondContact O-N 3.14Å; L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 2.5Å; L12-Y802 HydrophobicContact CD2-CE1 4.47Å
13K42Very low52Low159 Ų15993.4 Ų93.469%0.69152%0.518SS*.  trans-88.549-178.2-70.3-174.4176.5179.90113.9S10 D11 Q15S10-K13 WeakPolarHBondContact O-CB 3.47Å; S10-K13 PolarHBondContact O-N 2.87Å; D11-K13 VanDerWaalsContact C-N 3.29Å; K13-Q15 VanDerWaalsContact C-N 3.26Å; K13-Q15 PolarHBondContact O-N 3.36Å; K13-Q15 VanDerWaalsContact O-N 3.07Å
14S49.2Very low55.1Low78 Ų7884.8 Ų84.855%0.54548%0.482SS..  trans-78.288.1155.771.40000107.5L12 L16L12-S14 VanDerWaalsContact C-N 3.35Å; L12-S14 PolarHBondContact O-N 2.5Å; S14-L16 PolarHBondContact O-N 2.96Å
15Q59.5Low58.2Low161 Ų16175 Ų7575%0.75245%0.446SS*.PPolyproline II helixtrans-56.4129.5170.3-83.9-177.7-23.300108.6K13K13-Q15 VanDerWaalsContact C-N 3.26Å; K13-Q15 PolarHBondContact O-N 3.36Å; K13-Q15 VanDerWaalsContact O-N 3.07Å
16L70.2Confident61.5Low12 Ų1272.3 Ų72.36%0.06343%0.427CS..PPolyproline II helixtrans-67.4134.7176.8-90.5145.5000107.8S14 S18 L672 R673 I676 E677 F794S14-L16 PolarHBondContact O-N 2.96Å; L16-S18 PolarHBondContact O-N 3.19Å; L16-L672 HydrophobicContact CD1-CD2 4.32Å; L16-L672 HydrophobicContact CD1-CG 4.11Å; L16-L672 HydrophobicContact CD2-CD2 4.15Å; L16-R673 HydrophobicContact CB-CG 4.4Å; L16-R673 HydrophobicContact CD1-CB 4.37Å; L16-I676 HydrophobicContact CD1-CB 4.44Å; L16-I676 HydrophobicContact CD1-CD1 3.84Å; L16-E677 PolarHBondContact N-OE1 3.49Å; L16-E677 VanDerWaalsContact N-OE1 3.17Å; L16-F794 HydrophobicContact CD2-CE1 4.11Å; L16-F794 HydrophobicContact CD2-CZ 3.57Å
17P69Low64.9Low54 Ų5471 Ų7135%0.35140%0.401SS..PPolyproline II helixtrans-58.3142.7178.321.8-30.7000110.6L19 V20P17-L19 PolarHBondContact O-N 3.42Å; P17-V20 HydrophobicContact CG-CG2 4.45Å
18S66.1Low68.2Low104 Ų10473.3 Ų73.373%0.72740%0.4SS*.SBendtrans-62.1-28.1-175.660.30000112.8L16 R673L16-S18 PolarHBondContact O-N 3.19Å; S18-R673 PolarHBondContact O-NH1 3.21Å
19L72.8Confident71.6Confident132 Ų13272 Ų7269%0.69138%0.383SS*.SBendtrans-129.8123.1167.6-167.277.4000107.9P17 D21P17-L19 PolarHBondContact O-N 3.42Å; L19-D21 PolarHBondContact O-N 2.92Å
20V81.8Confident74.6Confident17 Ų1766 Ų6610%0.10336%0.359CS..  trans-79.8116.9178.7-179.40000109P17 I22 E25 C669 F794P17-V20 HydrophobicContact CG-CG2 4.45Å; V20-I22 PolarHBondContact O-N 3.29Å; V20-E25 HydrophobicContact CG1-CG 3.8Å; V20-C669 HydrophobicContact CB-CB 4.48Å; V20-C669 HydrophobicContact CG2-CB 3.94Å; V20-F794 HydrophobicContact CG1-CE1 4.39Å; V20-F794 HydrophobicContact CG1-CZ 4.22Å; V20-F794 HydrophobicContact CG2-CZ 4.39Å
21D89.7Confident77.8Confident92 Ų9267.4 Ų67.449%0.49236%0.36SS..  trans-80.490.9171.4174.627000109.8L19 P23 G24 E25L19-D21 PolarHBondContact O-N 2.92Å; D21-P23 WeakPolarHBondContact OD1-CD 3.47Å; D21-G24 PolarHBondContact O-N 3.08Å; D21-G24 VanDerWaalsContact O-N 3.15Å; D21-G24 WeakPolarHBondContact OD2-CA 3.47Å; D21-G24 PolarHBondContact OD2-N 3.47Å; D21-E25 WeakPolarHBondContact O-CG 3.26Å; D21-E25 PolarHBondContact O-N 3.48Å
22I92.9Very high80.9Confident6 Ų663.6 Ų63.63%0.03134%0.339CS..Hα-helixtrans-54.4-53.4-174-62.9170.8000111.8V20 G24 E25 E26 P634 V661 F665V20-I22 PolarHBondContact O-N 3.29Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 3.03Å; I22-E25 PolarHBondContact O-N 3.35Å; I22-E26 HydrophobicContact CG2-CG 4.3Å; I22-E26 WeakPolarHBondContact O-CG 3.21Å; I22-E26 PolarHBondContact O-N 2.51Å; I22-P634 HydrophobicContact CG2-CG 4.32Å; I22-V661 HydrophobicContact CD1-CG1 3.8Å; I22-V661 HydrophobicContact CD1-CG2 4.4Å; I22-F665 HydrophobicContact CD1-CB 3.51Å; I22-F665 HydrophobicContact CD1-CD1 4.43Å; I22-F665 HydrophobicContact CD1-CG 4.08Å
23P95.1Very high83.5Confident15 Ų1560.1 Ų60.110%0.09732%0.319CS..Hα-helixtrans-55.2-40.5177.2-23.729.8000114.2D21 T27 N628D21-P23 WeakPolarHBondContact OD1-CD 3.47Å; P23-T27 PolarHBondContact O-N 2.84Å; P23-T27 PolarHBondContact O-OG1 2.85Å; P23-N628 WeakPolarHBondContact CB-O 3.36Å; P23-N628 WeakPolarHBondContact CG-O 3.25Å
24G94.7Very high86Confident18 Ų1860.8 Ų60.819%0.18632%0.322CS..Hα-helixtrans-66.1-42.6178.100000112.7D21 I22 T27 R28D21-G24 PolarHBondContact O-N 3.08Å; D21-G24 VanDerWaalsContact O-N 3.15Å; D21-G24 WeakPolarHBondContact OD2-CA 3.47Å; D21-G24 PolarHBondContact OD2-N 3.47Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 3.03Å; G24-T27 PolarHBondContact O-N 2.78Å; G24-R28 PolarHBondContact O-N 3.41Å
25E94.8Very high88.2Confident16 Ų1661.1 Ų61.18%0.07532%0.324CS..Hα-helixtrans-64.6-43.9175.3-65.1-51.1142.800112V20 D21 I22 T27 R28 I29 F794V20-E25 HydrophobicContact CG1-CG 3.8Å; D21-E25 WeakPolarHBondContact O-CG 3.26Å; D21-E25 PolarHBondContact O-N 3.48Å; I22-E25 PolarHBondContact O-N 3.35Å; E25-T27 PolarHBondContact O-N 3.19Å; E25-R28 VanDerWaalsContact CD-CZ 3.48Å; E25-R28 PolarHBondContact O-N 2.69Å; E25-R28 VanDerWaalsContact O-N 3.11Å; E25-R28 IonicContact OE1-CZ 3.39Å; E25-R28 IonicContact OE1-NH1 3.54Å; E25-R28 PolarHBondContact OE1-NH1 2.77Å; E25-R28 IonicContact OE1-NH2 2.83Å; E25-R28 PolarHBondContact OE1-NH2 2.86Å; E25-R28 IonicContact OE2-CZ 3.53Å; E25-R28 IonicContact OE2-NH1 2.82Å; E25-R28 PolarHBondContact OE2-NH1 2.83Å; E25-R28 IonicContact OE2-NH2 3.75Å; E25-I29 WeakPolarHBondContact O-CG1 3.3Å; E25-I29 PolarHBondContact O-N 2.82Å; E25-F794 HydrophobicContact CB-CD2 4.27Å; E25-F794 HydrophobicContact CG-CD2 4Å; E25-F794 HydrophobicContact CG-CE2 3.91Å; E25-F794 WeakPolarHBondContact OE2-CE2 3.4Å
26E97.1Very high89.9Confident3 Ų357.2 Ų57.21%0.01431%0.306CS..Hα-helixtrans-58-39.1177.8-68.3-17716600112.1I22 I29 L30 R148 G631 A632 D633 F790I22-E26 HydrophobicContact CG2-CG 4.3Å; I22-E26 WeakPolarHBondContact O-CG 3.21Å; I22-E26 PolarHBondContact O-N 2.51Å; E26-I29 PolarHBondContact O-N 3.04Å; E26-L30 WeakPolarHBondContact O-CG 3.29Å; E26-L30 PolarHBondContact O-N 3.49Å; E26-R148 IonicContact OE2-CZ 2.9Å; E26-R148 VanDerWaalsContact OE2-CZ 3.25Å; E26-R148 IonicContact OE2-NH1 3.72Å; E26-R148 PolarHBondContact OE2-NH1 2.76Å; E26-R148 IonicContact OE2-NH2 3.12Å; E26-R148 PolarHBondContact OE2-NH2 2.65Å; E26-G631 WeakPolarHBondContact OE2-CA 3.32Å; E26-A632 PolarHBondContact OE1-N 2.91Å; E26-A632 WeakPolarHBondContact OE2-CB 3.21Å; E26-A632 PolarHBondContact OE2-N 3.1Å; E26-D633 PolarHBondContact OE1-N 3.45Å; E26-F790 HydrophobicContact CB-CB 4.21Å; E26-F790 HydrophobicContact CB-CD1 4.18Å; E26-F790 HydrophobicContact CB-CD2 4.32Å; E26-F790 HydrophobicContact CB-CG 3.99Å; E26-F790 HydrophobicContact CG-CB 3.6Å; E26-F790 HydrophobicContact CG-CD1 4.42Å; E26-F790 HydrophobicContact CG-CD2 3.95Å; E26-F790 HydrophobicContact CG-CG 3.75Å
27T96.6Very high91Very high62 Ų6259.7 Ų59.738%0.3832%0.319SS..Hα-helixtrans-65.1-42.3177.4-53.80000111.1P23 G24 E25 I29 L30 D31P23-T27 PolarHBondContact O-N 2.84Å; P23-T27 PolarHBondContact O-OG1 2.85Å; G24-T27 PolarHBondContact O-N 2.78Å; E25-T27 PolarHBondContact O-N 3.19Å; T27-I29 VanDerWaalsContact C-N 3.32Å; T27-I29 PolarHBondContact O-N 2.78Å; T27-L30 WeakPolarHBondContact O-CB 3.37Å; T27-L30 PolarHBondContact O-N 3.02Å; T27-D31 PolarHBondContact O-N 3.27Å; T27-D31 VanDerWaalsContact O-N 3.08Å
28R96.1Very high92.3Very high134 Ų13457.1 Ų57.151%0.50630%0.303SS..Hα-helixtrans-64.4-37.3174.8-70.2-174.7-120.8135.56.6112.3G24 E25 D31 F32G24-R28 PolarHBondContact O-N 3.41Å; E25-R28 VanDerWaalsContact CD-CZ 3.48Å; E25-R28 PolarHBondContact O-N 2.69Å; E25-R28 VanDerWaalsContact O-N 3.11Å; E25-R28 IonicContact OE1-CZ 3.39Å; E25-R28 IonicContact OE1-NH1 3.54Å; E25-R28 PolarHBondContact OE1-NH1 2.77Å; E25-R28 IonicContact OE1-NH2 2.83Å; E25-R28 PolarHBondContact OE1-NH2 2.86Å; E25-R28 IonicContact OE2-CZ 3.53Å; E25-R28 IonicContact OE2-NH1 2.82Å; E25-R28 PolarHBondContact OE2-NH1 2.83Å; E25-R28 IonicContact OE2-NH2 3.75Å; R28-D31 PolarHBondContact O-N 2.93Å; R28-F32 WeakPolarHBondContact O-CB 3.47Å; R28-F32 PolarHBondContact O-N 3.3Å
29I97.4Very high93.7Very high13 Ų1353.6 Ų53.67%0.06727%0.274CS..Hα-helixtrans-66.5-37.4174.2-66-53.5000111.7E25 E26 T27 F32 W33 F790 E793E25-I29 WeakPolarHBondContact O-CG1 3.3Å; E25-I29 PolarHBondContact O-N 2.82Å; E26-I29 PolarHBondContact O-N 3.04Å; T27-I29 VanDerWaalsContact C-N 3.32Å; T27-I29 PolarHBondContact O-N 2.78Å; I29-F32 WeakPolarHBondContact O-CB 3.48Å; I29-F32 PolarHBondContact O-N 2.99Å; I29-W33 HydrophobicContact CG2-CD2 3.94Å; I29-W33 VanDerWaalsContact CG2-CE2 3.44Å; I29-W33 HydrophobicContact CG2-CE3 4.45Å; I29-W33 HydrophobicContact CG2-CG 4.45Å; I29-W33 HydrophobicContact CG2-CH2 4.02Å; I29-W33 HydrophobicContact CG2-CZ2 3.48Å; I29-W33 VanDerWaalsContact CG2-CZ2 3.48Å; I29-W33 PolarHBondContact O-N 3.42Å; I29-F790 HydrophobicContact CB-CD1 4.04Å; I29-F790 HydrophobicContact CG2-CD1 3.74Å; I29-F790 HydrophobicContact CG2-CE1 4.44Å; I29-E793 HydrophobicContact CD1-CB 4.2Å; I29-E793 HydrophobicContact CD1-CG 3.76Å; I29-E793 HydrophobicContact CG1-CB 4.43Å; I29-E793 HydrophobicContact CG1-CG 4.41Å; I29-E793 HydrophobicContact CG2-CB 3.88Å; I29-E793 HydrophobicContact CG2-CG 3.78Å
30L96.7Very high94.8Very high36 Ų3650.7 Ų50.719%0.18826%0.256CS..Hα-helixtrans-60.4-45.2173.1-76.8170.5000111.9E26 T27 F32 W33 K34 N147 F790E26-L30 WeakPolarHBondContact O-CG 3.29Å; E26-L30 PolarHBondContact O-N 3.49Å; T27-L30 WeakPolarHBondContact O-CB 3.37Å; T27-L30 PolarHBondContact O-N 3.02Å; L30-F32 VanDerWaalsContact C-N 3.3Å; L30-F32 PolarHBondContact O-N 3.31Å; L30-W33 HydrophobicContact CD2-CE3 4.13Å; L30-W33 HydrophobicContact CD2-CZ3 4.31Å; L30-W33 PolarHBondContact O-N 3Å; L30-K34 WeakPolarHBondContact O-CB 3.4Å; L30-K34 PolarHBondContact O-N 2.89Å; L30-N147 WeakPolarHBondContact CD2-O 3.47Å; L30-F790 HydrophobicContact CD1-CE1 4.28Å; L30-F790 HydrophobicContact CD1-CZ 4.3Å; L30-F790 HydrophobicContact CD2-CE1 3.52Å; L30-F790 HydrophobicContact CD2-CZ 3.76Å; L30-F790 HydrophobicContact CG-CE1 3.53Å; L30-F790 HydrophobicContact CG-CZ 3.96Å
31D97.2Very high95.4Very high99 Ų9950.4 Ų50.453%0.52926%0.255SS..Hα-helixtrans-63.7-38.3176.5-69.4-28.1000111.5T27 R28 K34 S35T27-D31 PolarHBondContact O-N 3.27Å; T27-D31 VanDerWaalsContact O-N 3.08Å; R28-D31 PolarHBondContact O-N 2.93Å; D31-K34 PolarHBondContact O-N 3.02Å; D31-S35 WeakPolarHBondContact O-CB 3.5Å; D31-S35 PolarHBondContact O-N 2.99Å; D31-S35 PolarHBondContact O-OG 3.35Å
32F97.4Very high95.7Very high36 Ų3646 Ų4616%0.15823%0.231CC..Hα-helixtrans-60.3-51.4172.2170.1-98.6000111.9R28 I29 L30 K34 S35 H36 E793 D827R28-F32 WeakPolarHBondContact O-CB 3.47Å; R28-F32 PolarHBondContact O-N 3.3Å; I29-F32 WeakPolarHBondContact O-CB 3.48Å; I29-F32 PolarHBondContact O-N 2.99Å; L30-F32 VanDerWaalsContact C-N 3.3Å; L30-F32 PolarHBondContact O-N 3.31Å; F32-K34 VanDerWaalsContact C-N 3.27Å; F32-K34 PolarHBondContact O-N 3.38Å; F32-S35 WeakPolarHBondContact CA-OG 3.22Å; F32-S35 PolarHBondContact O-N 3.26Å; F32-S35 PolarHBondContact O-OG 2.89Å; F32-H36 AromaticContact CD2-CE1 3.47Å; F32-H36 VanDerWaalsContact CD2-CE1 3.47Å; F32-H36 WeakPolarHBondContact CD2-CE1 3.29Å; F32-H36 AromaticContact CD2-ND1 3.45Å; F32-H36 WeakPolarHBondContact CD2-ND1 3.19Å; F32-H36 AromaticContact CE2-CD2 3.93Å; F32-H36 AromaticContact CE2-CE1 3.31Å; F32-H36 WeakPolarHBondContact CE2-CE1 3.43Å; F32-H36 AromaticContact CE2-CG 3.81Å; F32-H36 AromaticContact CE2-ND1 3.41Å; F32-H36 WeakPolarHBondContact CE2-ND1 3.32Å; F32-H36 AromaticContact CE2-NE2 3.63Å; F32-H36 PolarHBondContact O-N 2.88Å; F32-H36 PolarHBondContact O-ND1 3.34Å; F32-E793 HydrophobicContact CD1-CG 4.42Å; F32-E793 HydrophobicContact CE1-CG 4.44Å; F32-D827 HydrophobicContact CZ-CB 4.47Å; F32-D827 WeakPolarHBondContact CZ-O 3.22Å
33W97.5Very high95.7Very high15 Ų1547.3 Ų47.36%0.05724%0.238CC..Hα-helixtrans-62.4-36.2179.4-70.4-19.8000113I29 L30 D37 T38 W152 P789 F790 E793 H830I29-W33 HydrophobicContact CG2-CD2 3.94Å; I29-W33 VanDerWaalsContact CG2-CE2 3.44Å; I29-W33 HydrophobicContact CG2-CE3 4.45Å; I29-W33 HydrophobicContact CG2-CG 4.45Å; I29-W33 HydrophobicContact CG2-CH2 4.02Å; I29-W33 HydrophobicContact CG2-CZ2 3.48Å; I29-W33 VanDerWaalsContact CG2-CZ2 3.48Å; I29-W33 PolarHBondContact O-N 3.42Å; L30-W33 HydrophobicContact CD2-CE3 4.13Å; L30-W33 HydrophobicContact CD2-CZ3 4.31Å; L30-W33 PolarHBondContact O-N 3Å; W33-D37 WeakPolarHBondContact O-CA 3.35Å; W33-D37 PolarHBondContact O-N 3.11Å; W33-T38 WeakPolarHBondContact CA-OG1 3.31Å; W33-T38 PolarHBondContact O-N 3.48Å; W33-T38 PolarHBondContact O-OG1 3.08Å; W33-W152 AromaticContact CD2-CZ2 4Å; W33-W152 HydrophobicContact CD2-CZ2 4Å; W33-W152 HydrophobicContact CE3-CZ2 4.31Å; W33-W152 AromaticContact CE3-NE1 3.48Å; W33-W152 HydrophobicContact CG-CZ2 4.31Å; W33-W152 AromaticContact CZ3-NE1 3.76Å; W33-P789 HydrophobicContact CH2-CB 3.81Å; W33-P789 HydrophobicContact CH2-CG 4.36Å; W33-P789 HydrophobicContact CZ2-CB 4.37Å; W33-P789 WeakPolarHBondContact CZ2-O 3.42Å; W33-F790 HydrophobicContact CE3-CE1 4Å; W33-F790 AromaticContact CH2-CD1 3.45Å; W33-F790 HydrophobicContact CH2-CD1 3.45Å; W33-F790 VanDerWaalsContact CH2-CD1 3.45Å; W33-F790 AromaticContact CH2-CE1 3.49Å; W33-F790 HydrophobicContact CH2-CE1 3.49Å; W33-F790 VanDerWaalsContact CH2-CE1 3.49Å; W33-F790 HydrophobicContact CH2-CG 4.13Å; W33-F790 HydrophobicContact CH2-CZ 4.23Å; W33-F790 HydrophobicContact CZ2-CD1 4.22Å; W33-F790 AromaticContact CZ3-CD1 3.7Å; W33-F790 HydrophobicContact CZ3-CD1 3.7Å; W33-F790 AromaticContact CZ3-CE1 3.19Å; W33-F790 HydrophobicContact CZ3-CE1 3.19Å; W33-F790 AromaticContact CZ3-CZ 3.83Å; W33-F790 HydrophobicContact CZ3-CZ 3.83Å; W33-E793 HydrophobicContact CZ2-CB 4.16Å; W33-E793 HydrophobicContact CZ2-CG 4.46Å; W33-E793 PolarHBondContact NE1-OE2 2.82Å; W33-H830 AromaticContact CE2-CD2 3.98Å; W33-H830 AromaticContact CZ2-CD2 3.75Å; W33-H830 AromaticContact CZ2-NE2 3.37Å; W33-H830 WeakPolarHBondContact CZ2-NE2 3.17Å; W33-H830 AromaticContact NE1-CD2 3.91Å
34K94.8Very high95.6Very high174 Ų17452.5 Ų52.576%0.75726%0.259SS*.Hα-helixtrans-67.7-44.3177.2-173.3178-179.6-179.30111.6L30 D31 F32 H36 D37L30-K34 WeakPolarHBondContact O-CB 3.4Å; L30-K34 PolarHBondContact O-N 2.89Å; D31-K34 PolarHBondContact O-N 3.02Å; F32-K34 VanDerWaalsContact C-N 3.27Å; F32-K34 PolarHBondContact O-N 3.38Å; K34-H36 VanDerWaalsContact C-N 3.32Å; K34-H36 PolarHBondContact O-N 2.83Å; K34-D37 PolarHBondContact O-N 2.88Å
35S95.7Very high95.5Very high84 Ų8452.4 Ų52.459%0.58725%0.254SS*.Hα-helixtrans-67.9-30.2179.4540000113.3D31 F32D31-S35 WeakPolarHBondContact O-CB 3.5Å; D31-S35 PolarHBondContact O-N 2.99Å; D31-S35 PolarHBondContact O-OG 3.35Å; F32-S35 WeakPolarHBondContact CA-OG 3.22Å; F32-S35 PolarHBondContact O-N 3.26Å; F32-S35 PolarHBondContact O-OG 2.89Å
36H94Very high95.4Very high80 Ų8051.7 Ų51.737%0.3725%0.25SS..THydrogen-bonded Turntrans-982.6179.7-66.471.1000113.7F32 K34 T38F32-H36 AromaticContact CD2-CE1 3.47Å; F32-H36 VanDerWaalsContact CD2-CE1 3.47Å; F32-H36 WeakPolarHBondContact CD2-CE1 3.29Å; F32-H36 AromaticContact CD2-ND1 3.45Å; F32-H36 WeakPolarHBondContact CD2-ND1 3.19Å; F32-H36 AromaticContact CE2-CD2 3.93Å; F32-H36 AromaticContact CE2-CE1 3.31Å; F32-H36 WeakPolarHBondContact CE2-CE1 3.43Å; F32-H36 AromaticContact CE2-CG 3.81Å; F32-H36 AromaticContact CE2-ND1 3.41Å; F32-H36 WeakPolarHBondContact CE2-ND1 3.32Å; F32-H36 AromaticContact CE2-NE2 3.63Å; F32-H36 PolarHBondContact O-N 2.88Å; F32-H36 PolarHBondContact O-ND1 3.34Å; K34-H36 VanDerWaalsContact C-N 3.32Å; K34-H36 PolarHBondContact O-N 2.83Å; H36-T38 PolarHBondContact O-N 3.31Å
37D94.7Very high95.2Very high63 Ų6359.6 Ų59.634%0.33729%0.285SS..THydrogen-bonded Turntrans47.546.8-175.8-167.622.7000112.3W33 K34 F39 K40 T41W33-D37 WeakPolarHBondContact O-CA 3.35Å; W33-D37 PolarHBondContact O-N 3.11Å; K34-D37 PolarHBondContact O-N 2.88Å; D37-F39 VanDerWaalsContact C-N 3.32Å; D37-F39 PolarHBondContact O-N 3.34Å; D37-K40 PolarHBondContact O-N 3.31Å; D37-K40 WeakPolarHBondContact OD1-CB 3.45Å; D37-K40 WeakPolarHBondContact OD1-CD 3.23Å; D37-K40 VanDerWaalsContact OD1-CG 3.29Å; D37-K40 WeakPolarHBondContact OD1-CG 3.29Å; D37-K40 WeakPolarHBondContact OD2-CB 3.39Å; D37-T41 WeakPolarHBondContact O-CB 3.2Å; D37-T41 PolarHBondContact O-N 3.42Å; D37-T41 PolarHBondContact O-OG1 3.24Å
38T96.3Very high94.8Very high1 Ų160.2 Ų60.21%0.00630%0.303CS..Hα-helixtrans-62.8-38.9-164.1-55.10000112.5W33 H36 T41 S42 W152 S828 Y831W33-T38 WeakPolarHBondContact CA-OG1 3.31Å; W33-T38 PolarHBondContact O-N 3.48Å; W33-T38 PolarHBondContact O-OG1 3.08Å; H36-T38 PolarHBondContact O-N 3.31Å; T38-T41 PolarHBondContact O-N 3.39Å; T38-S42 PolarHBondContact O-N 2.89Å; T38-W152 HydrophobicContact CG2-CH2 3.52Å; T38-W152 HydrophobicContact CG2-CZ2 3.72Å; T38-S828 WeakPolarHBondContact CG2-OG 3.43Å; T38-Y831 VanDerWaalsContact CA-OH 3.31Å; T38-Y831 WeakPolarHBondContact CA-OH 3.22Å; T38-Y831 HydrophobicContact CG2-CD1 4.48Å; T38-Y831 HydrophobicContact CG2-CE1 3.52Å; T38-Y831 WeakPolarHBondContact CG2-OH 3.32Å; T38-Y831 WeakPolarHBondContact O-CE1 3.28Å
39F95.6Very high94.6Very high29 Ų2958.1 Ų58.113%0.12730%0.298CS..Hα-helixtrans-64-52.7178.5174.2-138.6000111.9D37 T41 S42 L43 R92 W152 D154D37-F39 VanDerWaalsContact C-N 3.32Å; D37-F39 PolarHBondContact O-N 3.34Å; F39-T41 VanDerWaalsContact C-N 3.27Å; F39-T41 PolarHBondContact O-N 3.16Å; F39-S42 WeakPolarHBondContact O-CB 3.45Å; F39-S42 PolarHBondContact O-N 3.42Å; F39-S42 VanDerWaalsContact O-N 3.16Å; F39-S42 PolarHBondContact O-OG 3.31Å; F39-L43 HydrophobicContact CE2-CD1 4.01Å; F39-L43 HydrophobicContact CE2-CD2 4.33Å; F39-L43 HydrophobicContact CE2-CG 4.1Å; F39-L43 HydrophobicContact CZ-CD1 3.99Å; F39-L43 PolarHBondContact O-N 2.92Å; F39-R92 HydrophobicContact CZ-CB 4.2Å; F39-W152 HydrophobicContact CB-CB 4.49Å; F39-W152 HydrophobicContact CB-CD2 3.83Å; F39-W152 HydrophobicContact CB-CE3 4.14Å; F39-W152 HydrophobicContact CB-CG 3.98Å; F39-W152 HydrophobicContact CD1-CB 4.47Å; F39-W152 HydrophobicContact CD2-CB 3.69Å; F39-W152 AromaticContact CD2-CD2 3.93Å; F39-W152 HydrophobicContact CD2-CD2 3.93Å; F39-W152 AromaticContact CD2-CE3 3.71Å; F39-W152 HydrophobicContact CD2-CE3 3.71Å; F39-W152 AromaticContact CD2-CG 3.96Å; F39-W152 HydrophobicContact CD2-CG 3.96Å; F39-W152 HydrophobicContact CE2-CB 4.01Å; F39-W152 HydrophobicContact CG-CB 3.96Å; F39-W152 HydrophobicContact CG-CD2 4.12Å; F39-W152 HydrophobicContact CG-CE3 4.29Å; F39-W152 AromaticContact CG-CG 3.98Å; F39-W152 HydrophobicContact CG-CG 3.98Å; F39-D154 HydrophobicContact CE1-CB 4.26Å
40K94.4Very high94.4Very high72 Ų7265.5 Ų65.531%0.31333%0.325SS..Hα-helixtrans-65.6-33.3179.3-59.9-178.1-179.9173.90111.3D37 L43 K44 E156D37-K40 PolarHBondContact O-N 3.31Å; D37-K40 WeakPolarHBondContact OD1-CB 3.45Å; D37-K40 WeakPolarHBondContact OD1-CD 3.23Å; D37-K40 VanDerWaalsContact OD1-CG 3.29Å; D37-K40 WeakPolarHBondContact OD1-CG 3.29Å; D37-K40 WeakPolarHBondContact OD2-CB 3.39Å; K40-L43 WeakPolarHBondContact O-CB 3.44Å; K40-L43 PolarHBondContact O-N 3.22Å; K40-K44 WeakPolarHBondContact O-CG 3.34Å; K40-K44 PolarHBondContact O-N 3.24Å; K40-K44 VanDerWaalsContact O-N 3.12Å; K40-E156 VanDerWaalsContact NZ-CD 3.29Å; K40-E156 IonicContact NZ-OE1 3.75Å; K40-E156 PolarHBondContact NZ-OE1 3.42Å; K40-E156 VanDerWaalsContact NZ-OE1 3.15Å; K40-E156 IonicContact NZ-OE2 2.76Å; K40-E156 PolarHBondContact NZ-OE2 3.38Å
41T95.4Very high94.3Very high11 Ų1167 Ų677%0.06733%0.328CS..Hα-helixtrans-63.3-40.4173.9-60.80000112.2D37 T38 F39 L43 K44 H45 P817 Y831D37-T41 WeakPolarHBondContact O-CB 3.2Å; D37-T41 PolarHBondContact O-N 3.42Å; D37-T41 PolarHBondContact O-OG1 3.24Å; T38-T41 PolarHBondContact O-N 3.39Å; F39-T41 VanDerWaalsContact C-N 3.27Å; F39-T41 PolarHBondContact O-N 3.16Å; T41-L43 VanDerWaalsContact C-N 3.3Å; T41-L43 PolarHBondContact O-N 3.36Å; T41-K44 WeakPolarHBondContact O-CB 3.42Å; T41-K44 PolarHBondContact O-N 2.87Å; T41-K44 VanDerWaalsContact O-N 3.14Å; T41-H45 PolarHBondContact O-CD2 3.23Å; T41-H45 PolarHBondContact O-N 3.12Å; T41-H45 VanDerWaalsContact O-N 3.12Å; T41-P817 HydrophobicContact CG2-CB 4.28Å; T41-P817 WeakPolarHBondContact CG2-O 3.49Å; T41-Y831 WeakPolarHBondContact CB-OH 3.37Å; T41-Y831 HydrophobicContact CG2-CE1 3.94Å; T41-Y831 HydrophobicContact CG2-CE2 4.31Å
42S94.7Very high94.2Very high0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-61.7-36.3173.9780000112.7T38 F39 H45 S46 H84T38-S42 PolarHBondContact O-N 2.89Å; F39-S42 WeakPolarHBondContact O-CB 3.45Å; F39-S42 PolarHBondContact O-N 3.42Å; F39-S42 VanDerWaalsContact O-N 3.16Å; F39-S42 PolarHBondContact O-OG 3.31Å; S42-H45 PolarHBondContact O-N 3.12Å; S42-S46 PolarHBondContact O-N 3.1Å; S42-S46 PolarHBondContact O-OG 2.89Å; S42-H84 PolarHBondContact O-CE1 3.02Å
43L93.2Very high94.2Very high33 Ų3362 Ų6217%0.17330%0.303CS..Hα-helixtrans-65.6-39.6174.8-66.5176000111.5F39 K40 T41 H45 S46 F47 V90F39-L43 HydrophobicContact CE2-CD1 4.01Å; F39-L43 HydrophobicContact CE2-CD2 4.33Å; F39-L43 HydrophobicContact CE2-CG 4.1Å; F39-L43 HydrophobicContact CZ-CD1 3.99Å; F39-L43 PolarHBondContact O-N 2.92Å; K40-L43 WeakPolarHBondContact O-CB 3.44Å; K40-L43 PolarHBondContact O-N 3.22Å; T41-L43 VanDerWaalsContact C-N 3.3Å; T41-L43 PolarHBondContact O-N 3.36Å; L43-H45 VanDerWaalsContact C-N 3.34Å; L43-H45 PolarHBondContact O-N 3.09Å; L43-S46 PolarHBondContact O-N 2.82Å; L43-S46 PolarHBondContact O-OG 3.45Å; L43-S46 VanDerWaalsContact O-OG 3.11Å; L43-F47 PolarHBondContact O-N 2.92Å; L43-F47 VanDerWaalsContact O-N 3.09Å; L43-V90 WeakPolarHBondContact CD2-O 3.48Å
44K94Very high94.1Very high124 Ų12461.9 Ų61.954%0.53930%0.303SS..Hα-helixtrans-61.1-40.4175-65.8170.1-171.4165.70112K40 T41 S46 F47K40-K44 WeakPolarHBondContact O-CG 3.34Å; K40-K44 PolarHBondContact O-N 3.24Å; K40-K44 VanDerWaalsContact O-N 3.12Å; T41-K44 WeakPolarHBondContact O-CB 3.42Å; T41-K44 PolarHBondContact O-N 2.87Å; T41-K44 VanDerWaalsContact O-N 3.14Å; K44-S46 PolarHBondContact O-N 2.96Å; K44-F47 WeakPolarHBondContact O-CB 3.24Å; K44-F47 PolarHBondContact O-N 3.41Å
45H91.7Very high94.2Very high16 Ų1654 Ų547%0.07427%0.269CS..Hα-helixtrans-64.2-28.5178.2-68.8-175.3000113.9T41 S42 L43 K49 P817 Y819 Y831T41-H45 PolarHBondContact O-CD2 3.23Å; T41-H45 PolarHBondContact O-N 3.12Å; T41-H45 VanDerWaalsContact O-N 3.12Å; S42-H45 PolarHBondContact O-N 3.12Å; L43-H45 VanDerWaalsContact C-N 3.34Å; L43-H45 PolarHBondContact O-N 3.09Å; H45-K49 WeakPolarHBondContact O-CE 3.46Å; H45-P817 PolarHBondContact CE1-O 3.35Å; H45-P817 PolarHBondContact NE2-O 3.25Å; H45-Y819 AromaticContact CE1-CE2 3.64Å; H45-Y831 AromaticContact CE1-CD1 3.78Å; H45-Y831 AromaticContact CE1-CD2 3.9Å; H45-Y831 AromaticContact CE1-CG 3.53Å; H45-Y831 AromaticContact ND1-CD1 3.97Å; H45-Y831 AromaticContact ND1-CG 3.92Å
46S93.2Very high94.1Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-97.5-4.8-17957.20000113.3S42 L43 K44 G48 K49 Y88 H89S42-S46 PolarHBondContact O-N 3.1Å; S42-S46 PolarHBondContact O-OG 2.89Å; L43-S46 PolarHBondContact O-N 2.82Å; L43-S46 PolarHBondContact O-OG 3.45Å; L43-S46 VanDerWaalsContact O-OG 3.11Å; K44-S46 PolarHBondContact O-N 2.96Å; S46-G48 PolarHBondContact O-N 3.36Å; S46-K49 VanDerWaalsContact O-CB 3.26Å; S46-K49 WeakPolarHBondContact O-CB 3.39Å; S46-K49 WeakPolarHBondContact O-CG 3.38Å; S46-K49 PolarHBondContact O-N 3.33Å; S46-Y88 WeakPolarHBondContact CB-O 3.46Å; S46-H89 WeakPolarHBondContact O-CB 3.44Å; S46-H89 PolarHBondContact O-ND1 3.14Å; S46-H89 PolarHBondContact OG-ND1 3.26Å
47F91.7Very high94Very high169 Ų16946.5 Ų46.574%0.74123%0.226SC*.THydrogen-bonded Turntrans-56.8133.3180-170.4-97.7000111.1L43 K44 K49L43-F47 PolarHBondContact O-N 2.92Å; L43-F47 VanDerWaalsContact O-N 3.09Å; K44-F47 WeakPolarHBondContact O-CB 3.24Å; K44-F47 PolarHBondContact O-N 3.41Å; F47-K49 VanDerWaalsContact C-N 3.27Å; F47-K49 PolarHBondContact O-N 3.08Å
48G89.7Confident93.9Very high75 Ų7544.2 Ų44.277%0.77321%0.214SC*.THydrogen-bonded Turntrans80.3-7.6-175.700000115.7S46S46-G48 PolarHBondContact O-N 3.36Å
49K91.9Very high93.6Very high91 Ų9145 Ų4540%0.39622%0.22SC..SBendtrans-76.1169.4169.6-58-171.9-174.3178.40110.8H45 S46 F47 R51 G87H45-K49 WeakPolarHBondContact O-CE 3.46Å; S46-K49 VanDerWaalsContact O-CB 3.26Å; S46-K49 WeakPolarHBondContact O-CB 3.39Å; S46-K49 WeakPolarHBondContact O-CG 3.38Å; S46-K49 PolarHBondContact O-N 3.33Å; F47-K49 VanDerWaalsContact C-N 3.27Å; F47-K49 PolarHBondContact O-N 3.08Å; K49-R51 PolarHBondContact O-N 3.26Å; K49-G87 WeakPolarHBondContact CB-O 3.38Å; K49-G87 WeakPolarHBondContact CD-O 3.18Å
50R93Very high92.9Very high167 Ų16746.2 Ų46.263%0.6323%0.225SC*.PPolyproline II helixtrans-55127.7177-176.8174175.9-1751.6110.5Y88 H89R50-Y88 HydrophobicContact CB-CD1 4.19Å; R50-Y88 HydrophobicContact CB-CE1 4.34Å; R50-Y88 HydrophobicContact CG-CD1 4.11Å; R50-Y88 HydrophobicContact CG-CE1 3.99Å; R50-Y88 WeakPolarHBondContact O-CA 3.47Å; R50-Y88 WeakPolarHBondContact O-CD1 3.39Å; R50-H89 PolarHBondContact O-N 3.23Å
51R93.7Very high92.3Very high68 Ų6842.8 Ų42.826%0.25721%0.21SC..BIsolated β-bridgetrans-67.4140.9177.3-173.2176.2-84.8-100.9-0.7110.4K49 H89 E91K49-R51 PolarHBondContact O-N 3.26Å; R51-H89 WeakPolarHBondContact CA-O 3.36Å; R51-E91 IonicContact CZ-OE2 3.56Å; R51-E91 IonicContact NH1-OE2 3.95Å; R51-E91 PolarHBondContact NH1-OE2 3.21Å; R51-E91 IonicContact NH2-OE2 3.12Å
52F96.5Very high91.2Very high14 Ų1443.9 Ų43.96%0.06122%0.217CC..  trans-120.9109165.3179.4-80.5000107.2F54 I79 A83 Y88 H89 V90 D567 F568F52-F54 HydrophobicContact CE1-CB 4.41Å; F52-I79 HydrophobicContact CZ-CG2 4.21Å; F52-A83 HydrophobicContact CD1-CB 4.09Å; F52-A83 HydrophobicContact CD2-CB 4.01Å; F52-A83 HydrophobicContact CE1-CB 4.2Å; F52-A83 HydrophobicContact CE2-CB 4.11Å; F52-A83 HydrophobicContact CG-CB 3.99Å; F52-A83 HydrophobicContact CZ-CB 4.2Å; F52-Y88 HydrophobicContact CB-CD1 3.89Å; F52-Y88 HydrophobicContact CB-CG 3.97Å; F52-Y88 HydrophobicContact CD2-CD1 4.47Å; F52-Y88 HydrophobicContact CD2-CG 4.5Å; F52-H89 PolarHBondContact N-O 3.48Å; F52-V90 HydrophobicContact CB-CG2 4.11Å; F52-V90 HydrophobicContact CD1-CG1 4.02Å; F52-V90 HydrophobicContact CD1-CG2 4.38Å; F52-D567 WeakPolarHBondContact CA-OD2 3.26Å; F52-D567 HydrophobicContact CD1-CB 4.36Å; F52-D567 HydrophobicContact CD2-CB 3.78Å; F52-D567 HydrophobicContact CE1-CB 4.31Å; F52-D567 HydrophobicContact CE2-CB 3.71Å; F52-D567 HydrophobicContact CG-CB 4.12Å; F52-D567 HydrophobicContact CZ-CB 4Å; F52-F568 HydrophobicContact CE1-CB 3.74Å; F52-F568 HydrophobicContact CE1-CD1 4.43Å; F52-F568 HydrophobicContact CE1-CG 4.5Å; F52-F568 HydrophobicContact CZ-CB 3.55Å; F52-F568 HydrophobicContact CZ-CG 4.36Å
53T96.1Very high90.5Very high16 Ų1644.5 Ų44.510%0.09822%0.223CC..  trans-85.3121.2-175.4-57.60000109.8Y55 G563 A566 D567 F568T53-Y55 HydrophobicContact CG2-CD1 4.05Å; T53-Y55 HydrophobicContact CG2-CE1 3.49Å; T53-Y55 VanDerWaalsContact CG2-CE1 3.49Å; T53-G563 VanDerWaalsContact CB-O 3.23Å; T53-G563 WeakPolarHBondContact CB-O 3.28Å; T53-G563 WeakPolarHBondContact CG2-O 3.06Å; T53-G563 WeakPolarHBondContact OG1-CA 3.32Å; T53-G563 PolarHBondContact OG1-O 3.47Å; T53-A566 HydrophobicContact CG2-CB 3.89Å; T53-D567 PolarHBondContact N-OD2 3.21Å; T53-D567 PolarHBondContact O-N 3.43Å; T53-F568 PolarHBondContact O-N 2.91Å
54F96.4Very high90Very high13 Ų1345.8 Ų45.86%0.05723%0.23CC..BIsolated β-bridgetrans-117.9129.6176154.5-109.9000108.9F52 D56 K76 T80 R92 I153 F568F52-F54 HydrophobicContact CE1-CB 4.41Å; F54-D56 HydrophobicContact CE1-CB 4.07Å; F54-D56 HydrophobicContact CZ-CB 3.79Å; F54-K76 HydrophobicContact CE2-CB 3.99Å; F54-K76 HydrophobicContact CE2-CD 3.76Å; F54-K76 HydrophobicContact CE2-CG 3.74Å; F54-K76 HydrophobicContact CZ-CB 3.91Å; F54-K76 HydrophobicContact CZ-CD 3.75Å; F54-K76 HydrophobicContact CZ-CG 3.99Å; F54-T80 HydrophobicContact CB-CG2 3.94Å; F54-T80 HydrophobicContact CD1-CG2 3.75Å; F54-T80 HydrophobicContact CD2-CG2 4.11Å; F54-T80 HydrophobicContact CE1-CG2 4.33Å; F54-T80 HydrophobicContact CG-CG2 3.63Å; F54-R92 HydrophobicContact CD1-CG 4.44Å; F54-I153 HydrophobicContact CE1-CD1 4.47Å; F54-F568 WeakPolarHBondContact CA-O 3.42Å; F54-F568 AromaticContact CD2-CD1 3.73Å; F54-F568 HydrophobicContact CD2-CD1 3.73Å; F54-F568 HydrophobicContact CD2-CE1 4.08Å; F54-F568 HydrophobicContact CE2-CD1 4.39Å; F54-F568 HydrophobicContact CE2-CE1 4.32Å
55Y96.7Very high89.8Confident8 Ų840.2 Ų40.23%0.03121%0.206CC..PPolyproline II helixtrans-103.4128.7170.2-59.1-29.1000110.6T53 M545 P546 Q549 A566 F568 I569T53-Y55 HydrophobicContact CG2-CD1 4.05Å; T53-Y55 HydrophobicContact CG2-CE1 3.49Å; T53-Y55 VanDerWaalsContact CG2-CE1 3.49Å; Y55-M545 HydrophobicContact CD1-CE 4.03Å; Y55-M545 HydrophobicContact CD1-SD 4.16Å; Y55-M545 HydrophobicContact CD2-SD 4.48Å; Y55-M545 HydrophobicContact CG-CE 4.18Å; Y55-M545 HydrophobicContact CG-SD 3.98Å; Y55-P546 HydrophobicContact CD2-CB 4.33Å; Y55-P546 HydrophobicContact CD2-CG 4.01Å; Y55-P546 HydrophobicContact CE2-CB 3.52Å; Y55-P546 HydrophobicContact CE2-CG 3.62Å; Y55-Q549 VanDerWaalsContact CD1-NE2 3.3Å; Y55-A566 HydrophobicContact CD1-CB 4.25Å; Y55-A566 HydrophobicContact CD2-CB 3.54Å; Y55-A566 HydrophobicContact CE1-CB 4.18Å; Y55-A566 HydrophobicContact CE2-CB 3.45Å; Y55-A566 VanDerWaalsContact CE2-CB 3.45Å; Y55-A566 HydrophobicContact CG-CB 3.95Å; Y55-F568 PolarHBondContact N-O 3.18Å; Y55-I569 HydrophobicContact CD2-CG2 4.35Å; Y55-I569 HydrophobicContact CG-CG2 4.42Å
56D94.3Very high89.5Confident1 Ų142.3 Ų42.31%0.00522%0.216CC..PPolyproline II helixtrans-84.7123.9172.2-159.525.5000109.3F54 P58 K76 R151 I153 Y159F54-D56 HydrophobicContact CE1-CB 4.07Å; F54-D56 HydrophobicContact CZ-CB 3.79Å; D56-P58 VanDerWaalsContact O-CD 3.31Å; D56-P58 WeakPolarHBondContact O-CD 3.44Å; D56-K76 VanDerWaalsContact OD1-CD 3.25Å; D56-K76 WeakPolarHBondContact OD1-CD 3.31Å; D56-K76 WeakPolarHBondContact OD1-CE 3.47Å; D56-K76 IonicContact OD1-NZ 3.4Å; D56-K76 PolarHBondContact OD1-NZ 3.22Å; D56-R151 IonicContact OD1-CZ 2.8Å; D56-R151 IonicContact OD1-NH2 3.32Å; D56-R151 PolarHBondContact OD1-NH2 2.96Å; D56-R151 IonicContact OD2-CZ 3.04Å; D56-R151 IonicContact OD2-NH1 3.7Å; D56-R151 IonicContact OD2-NH2 3.92Å; D56-R151 PolarHBondContact OD2-NH2 2.96Å; D56-I153 HydrophobicContact CB-CD1 4.41Å; D56-I153 VanDerWaalsContact OD2-CD1 3.29Å; D56-I153 WeakPolarHBondContact OD2-CD1 3.27Å; D56-Y159 PolarHBondContact O-OH 3.12Å
57G91.3Very high89.5Confident6 Ų642.3 Ų42.36%0.06222%0.216CC..PPolyproline II helixtrans-65118.1169.600000108.5P59 E571G57-P59 WeakPolarHBondContact O-CD 3.47Å; G57-E571 WeakPolarHBondContact CA-OE1 3.45Å; G57-E571 PolarHBondContact N-OE1 3.27Å
58P92Very high89.3Confident14 Ų1435.1 Ų35.19%0.09119%0.19CC..  trans-72.2115.1-172.827.9-33000110D56 D97 Y159D56-P58 VanDerWaalsContact O-CD 3.31Å; D56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-D97 HydrophobicContact CB-CB 4.28Å; P58-D97 HydrophobicContact CG-CB 4.41Å; P58-Y159 HydrophobicContact CB-CE2 4.15Å; P58-Y159 HydrophobicContact CG-CE2 4.49Å
59P89.5Confident89.4Confident19 Ų1934.7 Ų34.712%0.12317%0.168CC..  trans-67.3152.7173.427.7-37.4000111.9G57 A61 F94 G95 W96 D97 W142G57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-A61 PolarHBondContact O-N 2.86Å; P59-F94 HydrophobicContact CG-CE1 3.71Å; P59-F94 HydrophobicContact CG-CZ 3.72Å; P59-G95 VanDerWaalsContact CD-O 3.29Å; P59-G95 WeakPolarHBondContact CD-O 3.44Å; P59-W96 HydrophobicContact CG-CE3 4.31Å; P59-W96 HydrophobicContact CG-CZ3 4.05Å; P59-D97 PolarHBondContact O-N 3.3Å; P59-W142 HydrophobicContact CB-CH2 3.5Å; P59-W142 VanDerWaalsContact CB-CH2 3.5Å; P59-W142 HydrophobicContact CB-CZ2 3.99Å; P59-W142 HydrophobicContact CB-CZ3 4.02Å; P59-W142 HydrophobicContact CG-CE3 4.35Å; P59-W142 HydrophobicContact CG-CH2 3.81Å; P59-W142 HydrophobicContact CG-CZ2 4.43Å; P59-W142 HydrophobicContact CG-CZ3 3.78Å
60F82.4Confident89.5Confident53 Ų5330.6 Ų30.623%0.23215%0.15CC..BIsolated β-bridgetrans-67.3129.8168.8-69.9-69.9000111T62 D97 P102 C538F60-T62 HydrophobicContact CB-CG2 4.12Å; F60-T62 PolarHBondContact O-N 3.32Å; F60-D97 HydrophobicContact CD1-CB 3.84Å; F60-D97 HydrophobicContact CE1-CB 3.96Å; F60-D97 VanDerWaalsContact CE1-CG 3.42Å; F60-D97 VanDerWaalsContact CE1-OD2 3.31Å; F60-D97 WeakPolarHBondContact CE1-OD2 3.47Å; F60-P102 HydrophobicContact CD1-CB 4.03Å; F60-P102 HydrophobicContact CD1-CG 3.91Å; F60-P102 HydrophobicContact CD2-CG 4.38Å; F60-P102 HydrophobicContact CE1-CB 4.41Å; F60-P102 HydrophobicContact CE1-CG 3.79Å; F60-P102 HydrophobicContact CE2-CG 4.28Å; F60-P102 HydrophobicContact CG-CB 4.16Å; F60-P102 HydrophobicContact CG-CG 4.22Å; F60-P102 HydrophobicContact CZ-CG 3.99Å; F60-C538 HydrophobicContact CE1-CB 4.42Å
61A79.9Confident89.6Confident0 Ų022.7 Ų22.70%012%0.12CC..THydrogen-bonded Turntrans-81.253.3176.800000112.5P59 W96 D97 V135 Y138P59-A61 PolarHBondContact O-N 2.86Å; A61-W96 HydrophobicContact CB-CE3 3.75Å; A61-W96 HydrophobicContact CB-CZ3 4.11Å; A61-D97 PolarHBondContact N-O 2.96Å; A61-V135 HydrophobicContact CB-CB 4.13Å; A61-V135 HydrophobicContact CB-CG1 3.8Å; A61-V135 HydrophobicContact CB-CG2 4.16Å; A61-Y138 VanDerWaalsContact O-CD2 3.24Å; A61-Y138 WeakPolarHBondContact O-CD2 3.47Å
62T74.2Confident89.7Confident34 Ų3419.6 Ų19.621%0.20911%0.109CC..THydrogen-bonded Turntrans-117-6-172.355.70000114.3F60 P102 V103 Y138F60-T62 HydrophobicContact CB-CG2 4.12Å; F60-T62 PolarHBondContact O-N 3.32Å; T62-P102 VanDerWaalsContact CG2-C 3.47Å; T62-P102 HydrophobicContact CG2-CB 3.84Å; T62-P102 WeakPolarHBondContact CG2-O 3.26Å; T62-V103 HydrophobicContact CG2-CB 4.29Å; T62-V103 HydrophobicContact CG2-CG2 3.58Å; T62-Y138 VanDerWaalsContact C-CD2 3.47Å; T62-Y138 WeakPolarHBondContact O-CE2 3.4Å
63G78.6Confident89.7Confident13 Ų1319.1 Ų19.113%0.13411%0.108CC..SBendtrans-163.6-170.3-175.600000113.1W142G63-W142 VanDerWaalsContact O-CD1 3.27Å; G63-W142 PolarHBondContact O-NE1 2.89Å
64L84.1Confident89.7Confident61 Ų6118.3 Ų18.332%0.31910%0.103SC..  trans-91.6150175.3-72.9171.4000107.6Q141L64-Q141 HydrophobicContact CD2-CB 3.59Å; L64-Q141 HydrophobicContact CD2-CG 4.24Å
65P88.4Confident89.8Confident6 Ų617.7 Ų17.74%0.03910%0.1CC..  trans-62.4146.317727.1-33.7000111H69 L70 W142 V145P65-H69 HydrophobicContact CB-CB 4.04Å; P65-L70 HydrophobicContact CB-CD2 4.19Å; P65-W142 HydrophobicContact CB-CD2 4.03Å; P65-W142 HydrophobicContact CB-CE3 4.09Å; P65-W142 HydrophobicContact CB-CH2 4.08Å; P65-W142 HydrophobicContact CB-CZ2 3.98Å; P65-W142 HydrophobicContact CB-CZ3 4.12Å; P65-W142 HydrophobicContact CG-CD2 4.14Å; P65-W142 HydrophobicContact CG-CE3 4.47Å; P65-W142 HydrophobicContact CG-CG 4.4Å; P65-V145 HydrophobicContact CG-CB 3.71Å; P65-V145 HydrophobicContact CG-CG1 3.64Å; P65-V145 HydrophobicContact CG-CG2 3.94Å
66H86.3Confident89.8Confident60 Ų6017.7 Ų17.728%0.27810%0.101SC..  trans-121.8174173.857.746000108.6G68 H69 L70 Y620H66-G68 PolarHBondContact ND1-N 2.97Å; H66-G68 VanDerWaalsContact ND1-N 3.17Å; H66-G68 PolarHBondContact O-N 2.73Å; H66-H69 AromaticContact CD2-CE1 3.59Å; H66-H69 AromaticContact CD2-ND1 3.76Å; H66-H69 AromaticContact CE1-CD2 3.87Å; H66-H69 AromaticContact CE1-CE1 3.33Å; H66-H69 PolarHBondContact CE1-CE1 3.09Å; H66-H69 AromaticContact CE1-CG 3.76Å; H66-H69 AromaticContact CE1-ND1 3.43Å; H66-H69 PolarHBondContact CE1-ND1 3.17Å; H66-H69 AromaticContact CE1-NE2 3.61Å; H66-H69 AromaticContact CG-CE1 3.96Å; H66-H69 AromaticContact CG-ND1 3.65Å; H66-H69 PolarHBondContact N-ND1 2.88Å; H66-H69 AromaticContact ND1-CE1 3.81Å; H66-H69 AromaticContact ND1-CG 3.83Å; H66-H69 PolarHBondContact ND1-N 2.9Å; H66-H69 AromaticContact ND1-ND1 3.44Å; H66-H69 PolarHBondContact ND1-ND1 3.12Å; H66-H69 AromaticContact NE2-CE1 3.19Å; H66-H69 PolarHBondContact NE2-CE1 3.36Å; H66-H69 AromaticContact NE2-ND1 3.64Å; H66-H69 AromaticContact NE2-NE2 3.69Å; H66-H69 WeakPolarHBondContact O-CB 3.47Å; H66-H69 PolarHBondContact O-N 3.09Å; H66-L70 PolarHBondContact O-N 3.29Å; H66-L70 VanDerWaalsContact O-N 3.15Å; H66-Y620 HydrophobicContact CB-CE2 4.2Å
67Y92Very high90Very high0 Ų017.7 Ų17.70%010%0.101CC..Hα-helixtrans-56.3-28.4-174.3-59-73.2000115.1L70 L71 M613 Y620 P621 P623 V626 L635 F652Y67-L70 HydrophobicContact CD1-CD1 4.17Å; Y67-L70 PolarHBondContact O-N 2.75Å; Y67-L71 VanDerWaalsContact O-CB 3.3Å; Y67-L71 WeakPolarHBondContact O-CB 3.44Å; Y67-L71 PolarHBondContact O-N 3.41Å; Y67-M613 HydrophobicContact CD2-CE 4.29Å; Y67-M613 HydrophobicContact CD2-SD 3.84Å; Y67-Y620 HydrophobicContact CD2-CD2 4.26Å; Y67-Y620 AromaticContact CE2-CD2 3.94Å; Y67-Y620 HydrophobicContact CE2-CD2 3.94Å; Y67-P621 HydrophobicContact CE2-CG 4.38Å; Y67-P621 VanDerWaalsContact CE2-O 3.32Å; Y67-P621 WeakPolarHBondContact CE2-O 3.3Å; Y67-P621 PolarHBondContact OH-O 2.9Å; Y67-P623 HydrophobicContact CE1-CB 3.98Å; Y67-P623 HydrophobicContact CE1-CG 4.17Å; Y67-P623 HydrophobicContact CE2-CG 4.33Å; Y67-V626 VanDerWaalsContact OH-CG2 3.24Å; Y67-V626 WeakPolarHBondContact OH-CG2 3.21Å; Y67-L635 HydrophobicContact CD1-CD1 4.06Å; Y67-L635 HydrophobicContact CD1-CD2 4.49Å; Y67-L635 HydrophobicContact CE1-CD1 3.91Å; Y67-L635 HydrophobicContact CE1-CD2 4.19Å; Y67-F652 AromaticContact CD1-CD2 3.96Å; Y67-F652 HydrophobicContact CD1-CD2 3.96Å; Y67-F652 AromaticContact CD1-CE2 3.47Å; Y67-F652 HydrophobicContact CD1-CE2 3.47Å; Y67-F652 VanDerWaalsContact CD1-CE2 3.47Å; Y67-F652 AromaticContact CD1-CZ 3.85Å; Y67-F652 HydrophobicContact CD1-CZ 3.85Å; Y67-F652 HydrophobicContact CD2-CD1 4.19Å; Y67-F652 HydrophobicContact CD2-CD2 4.02Å; Y67-F652 HydrophobicContact CD2-CE1 4.35Å; Y67-F652 HydrophobicContact CD2-CE2 4.19Å; Y67-F652 HydrophobicContact CD2-CG 4.04Å; Y67-F652 HydrophobicContact CD2-CZ 4.35Å; Y67-F652 HydrophobicContact CE1-CD2 4.25Å; Y67-F652 AromaticContact CE1-CE1 3.99Å; Y67-F652 HydrophobicContact CE1-CE1 3.99Å; Y67-F652 AromaticContact CE1-CE2 3.46Å; Y67-F652 HydrophobicContact CE1-CE2 3.46Å; Y67-F652 VanDerWaalsContact CE1-CE2 3.46Å; Y67-F652 AromaticContact CE1-CZ 3.3Å; Y67-F652 HydrophobicContact CE1-CZ 3.3Å; Y67-F652 AromaticContact CE2-CD1 3.85Å; Y67-F652 HydrophobicContact CE2-CD1 3.85Å; Y67-F652 HydrophobicContact CE2-CD2 4.32Å; Y67-F652 AromaticContact CE2-CE1 3.7Å; Y67-F652 HydrophobicContact CE2-CE1 3.7Å; Y67-F652 HydrophobicContact CE2-CE2 4.18Å; Y67-F652 HydrophobicContact CE2-CG 4.17Å; Y67-F652 AromaticContact CE2-CZ 3.88Å; Y67-F652 HydrophobicContact CE2-CZ 3.88Å; Y67-F652 AromaticContact CG-CD2 3.85Å; Y67-F652 HydrophobicContact CG-CD2 3.85Å; Y67-F652 AromaticContact CG-CE2 3.86Å; Y67-F652 HydrophobicContact CG-CE2 3.86Å; Y67-F652 HydrophobicContact CG-CG 4.34Å; Y67-F652 HydrophobicContact CG-CZ 4.35Å; Y67-F652 AromaticContact CZ-CE1 3.5Å; Y67-F652 VanDerWaalsContact CZ-CE1 3.5Å; Y67-F652 AromaticContact CZ-CE2 3.84Å; Y67-F652 AromaticContact CZ-CZ 3.33Å
68G89Confident90.3Very high18 Ų1817.4 Ų17.419%0.18610%0.098CC..Hα-helixtrans-59-44.8169.900000113.8H66 L71 A72H66-G68 PolarHBondContact ND1-N 2.97Å; H66-G68 VanDerWaalsContact ND1-N 3.17Å; H66-G68 PolarHBondContact O-N 2.73Å; G68-L71 PolarHBondContact O-N 3.2Å; G68-A72 PolarHBondContact O-N 3.5Å; G68-A72 VanDerWaalsContact O-N 3.16Å
69H90.4Very high90.6Very high67 Ų6717 Ų1731%0.319%0.094SC..Hα-helixtrans-67.9-39.6176-57.5132.5000111.6P65 H66 G73 W142P65-H69 HydrophobicContact CB-CB 4.04Å; H66-H69 AromaticContact CD2-CE1 3.59Å; H66-H69 AromaticContact CD2-ND1 3.76Å; H66-H69 AromaticContact CE1-CD2 3.87Å; H66-H69 AromaticContact CE1-CE1 3.33Å; H66-H69 PolarHBondContact CE1-CE1 3.09Å; H66-H69 AromaticContact CE1-CG 3.76Å; H66-H69 AromaticContact CE1-ND1 3.43Å; H66-H69 PolarHBondContact CE1-ND1 3.17Å; H66-H69 AromaticContact CE1-NE2 3.61Å; H66-H69 AromaticContact CG-CE1 3.96Å; H66-H69 AromaticContact CG-ND1 3.65Å; H66-H69 PolarHBondContact N-ND1 2.88Å; H66-H69 AromaticContact ND1-CE1 3.81Å; H66-H69 AromaticContact ND1-CG 3.83Å; H66-H69 PolarHBondContact ND1-N 2.9Å; H66-H69 AromaticContact ND1-ND1 3.44Å; H66-H69 PolarHBondContact ND1-ND1 3.12Å; H66-H69 AromaticContact NE2-CE1 3.19Å; H66-H69 PolarHBondContact NE2-CE1 3.36Å; H66-H69 AromaticContact NE2-ND1 3.64Å; H66-H69 AromaticContact NE2-NE2 3.69Å; H66-H69 WeakPolarHBondContact O-CB 3.47Å; H66-H69 PolarHBondContact O-N 3.09Å; H69-G73 PolarHBondContact O-N 2.77Å; H69-W142 HydrophobicContact CB-CH2 3.58Å; H69-W142 HydrophobicContact CB-CZ2 4.43Å; H69-W142 HydrophobicContact CB-CZ3 4.01Å; H69-W142 AromaticContact CD2-CH2 3.64Å; H69-W142 AromaticContact CE1-CZ2 3.88Å; H69-W142 AromaticContact CG-CH2 3.34Å; H69-W142 AromaticContact CG-CZ2 3.9Å; H69-W142 AromaticContact ND1-CH2 3.6Å; H69-W142 AromaticContact ND1-CZ2 3.64Å
70L94.6Very high91Very high5 Ų516.2 Ų16.23%0.0269%0.089CC..Hα-helixtrans-66.6-38.6178.4-55.5-175.2000111.7P65 H66 Y67 T74 V145 L149 P623 L635 L639P65-L70 HydrophobicContact CB-CD2 4.19Å; H66-L70 PolarHBondContact O-N 3.29Å; H66-L70 VanDerWaalsContact O-N 3.15Å; Y67-L70 HydrophobicContact CD1-CD1 4.17Å; Y67-L70 PolarHBondContact O-N 2.75Å; L70-T74 VanDerWaalsContact O-CB 3.27Å; L70-T74 WeakPolarHBondContact O-CB 3.38Å; L70-T74 PolarHBondContact O-N 3.09Å; L70-T74 PolarHBondContact O-OG1 3.28Å; L70-V145 HydrophobicContact CD2-CG1 4.03Å; L70-L149 HydrophobicContact CB-CD2 4.14Å; L70-L149 HydrophobicContact CD2-CD2 4.02Å; L70-P623 HydrophobicContact CD1-CB 3.5Å; L70-P623 HydrophobicContact CD1-CG 4.17Å; L70-L635 HydrophobicContact CD1-CD2 4.02Å; L70-L639 HydrophobicContact CB-CD1 4.3Å
71L95.7Very high91.7Very high0 Ų013.9 Ų13.90%08%0.079CC..Hα-helixtrans-61.4-54174.7170.164.3000111.2Y67 G68 G73 T74 I75 N602 V605 L639 V644 V645Y67-L71 VanDerWaalsContact O-CB 3.3Å; Y67-L71 WeakPolarHBondContact O-CB 3.44Å; Y67-L71 PolarHBondContact O-N 3.41Å; G68-L71 PolarHBondContact O-N 3.2Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 2.6Å; L71-T74 PolarHBondContact O-N 3.16Å; L71-T74 VanDerWaalsContact O-N 3.15Å; L71-I75 HydrophobicContact CD1-CD1 3.91Å; L71-I75 HydrophobicContact CD1-CG1 4.29Å; L71-I75 HydrophobicContact CG-CD1 4.18Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 2.94Å; L71-N602 HydrophobicContact CD2-CB 3.94Å; L71-N602 HydrophobicContact CG-CB 4.29Å; L71-V605 HydrophobicContact CD2-CG2 3.87Å; L71-L639 HydrophobicContact CB-CD1 4.37Å; L71-L639 HydrophobicContact CD1-CB 4.04Å; L71-V644 HydrophobicContact CD1-CG2 3.69Å; L71-V644 HydrophobicContact CD2-CB 3.67Å; L71-V644 HydrophobicContact CD2-CG1 4.29Å; L71-V644 HydrophobicContact CD2-CG2 3.44Å; L71-V644 VanDerWaalsContact CD2-CG2 3.44Å; L71-V644 HydrophobicContact CG-CG2 4.23Å; L71-V645 HydrophobicContact CD1-CG1 4.48Å
72A94.6Very high92.5Very high4 Ų414.7 Ų14.73%0.0338%0.082CC..Hα-helixtrans-58.9-45.5178.300000110.8G68 T74 I75 K76G68-A72 PolarHBondContact O-N 3.5Å; G68-A72 VanDerWaalsContact O-N 3.16Å; A72-T74 VanDerWaalsContact C-N 3.33Å; A72-T74 PolarHBondContact O-N 3.02Å; A72-I75 PolarHBondContact O-N 2.74Å; A72-K76 VanDerWaalsContact C-CE 3.42Å; A72-K76 WeakPolarHBondContact O-CB 3.47Å; A72-K76 WeakPolarHBondContact O-CE 3.24Å; A72-K76 VanDerWaalsContact O-CG 3.25Å; A72-K76 WeakPolarHBondContact O-CG 3.36Å; A72-K76 PolarHBondContact O-N 3.25Å
73G96.3Very high93.6Very high3 Ų313.3 Ų13.33%0.0318%0.075CC..Hα-helixtrans-59.2-39.4175.100000113.7H69 L71 K76 D77H69-G73 PolarHBondContact O-N 2.77Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 2.6Å; G73-K76 PolarHBondContact O-N 3.07Å; G73-D77 WeakPolarHBondContact O-CB 3.21Å; G73-D77 PolarHBondContact O-N 3.18Å
74T97.6Very high94.4Very high0 Ų013.6 Ų13.60%07%0.072CC..Hα-helixtrans-66.9-45.6178.2-60.60000111.3L70 L71 A72 K76 D77 I78 R636 I640L70-T74 VanDerWaalsContact O-CB 3.27Å; L70-T74 WeakPolarHBondContact O-CB 3.38Å; L70-T74 PolarHBondContact O-N 3.09Å; L70-T74 PolarHBondContact O-OG1 3.28Å; L71-T74 PolarHBondContact O-N 3.16Å; L71-T74 VanDerWaalsContact O-N 3.15Å; A72-T74 VanDerWaalsContact C-N 3.33Å; A72-T74 PolarHBondContact O-N 3.02Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 2.62Å; T74-D77 PolarHBondContact O-N 2.82Å; T74-I78 HydrophobicContact CG2-CD1 3.79Å; T74-I78 HydrophobicContact CG2-CG1 4.45Å; T74-I78 WeakPolarHBondContact O-CD1 3.01Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.37Å; T74-I78 PolarHBondContact O-N 2.79Å; T74-R636 HydrophobicContact CG2-CB 3.81Å; T74-R636 HydrophobicContact CG2-CG 3.82Å; T74-I640 HydrophobicContact CG2-CG2 3.77Å
75I97.5Very high95Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-60.2-47.1176.5-65.9167.6000110L71 A72 D77 I78 I79 F568 A570 I600 N602 V645 L729L71-I75 HydrophobicContact CD1-CD1 3.91Å; L71-I75 HydrophobicContact CD1-CG1 4.29Å; L71-I75 HydrophobicContact CG-CD1 4.18Å; L71-I75 WeakPolarHBondContact O-CG1 3.34Å; L71-I75 PolarHBondContact O-N 2.94Å; A72-I75 PolarHBondContact O-N 2.74Å; I75-D77 VanDerWaalsContact C-N 3.33Å; I75-D77 PolarHBondContact O-N 3.37Å; I75-I78 PolarHBondContact O-N 2.75Å; I75-I79 WeakPolarHBondContact O-CG1 3.49Å; I75-I79 PolarHBondContact O-N 3.34Å; I75-I79 VanDerWaalsContact O-N 3.12Å; I75-F568 HydrophobicContact CG2-CZ 4.32Å; I75-A570 HydrophobicContact CG2-CB 3.88Å; I75-I600 HydrophobicContact CD1-CG2 4.49Å; I75-I600 HydrophobicContact CG2-CB 4.32Å; I75-I600 HydrophobicContact CG2-CD1 3.94Å; I75-I600 HydrophobicContact CG2-CG2 4.02Å; I75-N602 HydrophobicContact CD1-CB 3.76Å; I75-V645 HydrophobicContact CD1-CG1 4.1Å; I75-V645 HydrophobicContact CG1-CG1 4.42Å; I75-L729 HydrophobicContact CG1-CD2 4.04Å
76K97.9Very high95.3Very high8 Ų814.5 Ų14.54%0.0357%0.071CC..Hα-helixtrans-59.8-42.1178.8-71.1-179.7-83.1-176.90112F54 D56 A72 G73 T74 T80 F568 A570 E571F54-K76 HydrophobicContact CE2-CB 3.99Å; F54-K76 HydrophobicContact CE2-CD 3.76Å; F54-K76 HydrophobicContact CE2-CG 3.74Å; F54-K76 HydrophobicContact CZ-CB 3.91Å; F54-K76 HydrophobicContact CZ-CD 3.75Å; F54-K76 HydrophobicContact CZ-CG 3.99Å; D56-K76 VanDerWaalsContact OD1-CD 3.25Å; D56-K76 WeakPolarHBondContact OD1-CD 3.31Å; D56-K76 WeakPolarHBondContact OD1-CE 3.47Å; D56-K76 IonicContact OD1-NZ 3.4Å; D56-K76 PolarHBondContact OD1-NZ 3.22Å; A72-K76 VanDerWaalsContact C-CE 3.42Å; A72-K76 WeakPolarHBondContact O-CB 3.47Å; A72-K76 WeakPolarHBondContact O-CE 3.24Å; A72-K76 VanDerWaalsContact O-CG 3.25Å; A72-K76 WeakPolarHBondContact O-CG 3.36Å; A72-K76 PolarHBondContact O-N 3.25Å; G73-K76 PolarHBondContact O-N 3.07Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 2.62Å; K76-T80 WeakPolarHBondContact O-CB 3.48Å; K76-T80 WeakPolarHBondContact O-CG2 3.36Å; K76-T80 PolarHBondContact O-N 3.35Å; K76-T80 PolarHBondContact O-OG1 3.14Å; K76-F568 HydrophobicContact CG-CE1 4.5Å; K76-A570 WeakPolarHBondContact CD-O 3Å; K76-A570 HydrophobicContact CG-CB 4.02Å; K76-E571 IonicContact NZ-OE1 3.77Å; K76-E571 PolarHBondContact NZ-OE1 2.85Å; K76-E571 IonicContact NZ-OE2 2.75Å
77D98.2Very high95.7Very high1 Ų112.5 Ų12.51%0.0057%0.067CC..Hα-helixtrans-67-43.8176.9-170.664.6000112.7G73 T74 I75 I79 T80 R81 R151 W152 R636G73-D77 WeakPolarHBondContact O-CB 3.21Å; G73-D77 PolarHBondContact O-N 3.18Å; T74-D77 PolarHBondContact O-N 2.82Å; I75-D77 VanDerWaalsContact C-N 3.33Å; I75-D77 PolarHBondContact O-N 3.37Å; D77-I79 PolarHBondContact O-N 3.02Å; D77-T80 PolarHBondContact O-N 3.18Å; D77-T80 PolarHBondContact O-OG1 3.47Å; D77-R81 VanDerWaalsContact CG-NE 3.33Å; D77-R81 VanDerWaalsContact O-CB 3.31Å; D77-R81 WeakPolarHBondContact O-CB 3.23Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.37Å; D77-R81 PolarHBondContact O-N 3.01Å; D77-R81 IonicContact OD1-CZ 2.72Å; D77-R81 IonicContact OD1-NE 3.11Å; D77-R81 PolarHBondContact OD1-NE 2.83Å; D77-R81 IonicContact OD1-NH2 3.88Å; D77-R81 IonicContact OD2-CZ 3.09Å; D77-R81 IonicContact OD2-NE 3.61Å; D77-R81 PolarHBondContact OD2-NE 2.87Å; D77-R81 IonicContact OD2-NH2 3.34Å; D77-R151 HydrophobicContact CB-CB 4.33Å; D77-R151 HydrophobicContact CB-CG 4.11Å; D77-R151 WeakPolarHBondContact OD1-CA 3.34Å; D77-W152 PolarHBondContact OD1-N 3.24Å; D77-R636 IonicContact OD2-CZ 2.76Å; D77-R636 VanDerWaalsContact OD2-CZ 3.26Å; D77-R636 IonicContact OD2-NH1 3.23Å; D77-R636 PolarHBondContact OD2-NH1 2.9Å; D77-R636 IonicContact OD2-NH2 3.33Å; D77-R636 PolarHBondContact OD2-NH2 3.17Å
78I97.7Very high95.9Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-58.4-52.7178.9-70.9162.5000110.9T74 I75 T80 R81 Y82 I640 L729 P786 F787T74-I78 HydrophobicContact CG2-CD1 3.79Å; T74-I78 HydrophobicContact CG2-CG1 4.45Å; T74-I78 WeakPolarHBondContact O-CD1 3.01Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.37Å; T74-I78 PolarHBondContact O-N 2.79Å; I75-I78 PolarHBondContact O-N 2.75Å; I78-T80 VanDerWaalsContact C-N 3.35Å; I78-T80 PolarHBondContact O-N 3.19Å; I78-R81 PolarHBondContact O-N 3.29Å; I78-Y82 VanDerWaalsContact O-CB 3.26Å; I78-Y82 WeakPolarHBondContact O-CB 3.44Å; I78-Y82 PolarHBondContact O-N 3.01Å; I78-I640 HydrophobicContact CD1-CD1 3.57Å; I78-I640 HydrophobicContact CD1-CG2 3.92Å; I78-L729 HydrophobicContact CD1-CD2 4.22Å; I78-L729 HydrophobicContact CG2-CD1 3.9Å; I78-P786 VanDerWaalsContact CG1-O 3.25Å; I78-P786 WeakPolarHBondContact CG1-O 3.38Å; I78-P786 HydrophobicContact CG2-CB 4.15Å; I78-F787 HydrophobicContact CD1-CD1 4.04Å; I78-F787 HydrophobicContact CG1-CD1 4.38Å; I78-F787 HydrophobicContact CG2-CD1 4.12Å; I78-F787 HydrophobicContact CG2-CE1 3.93Å; I78-F787 HydrophobicContact CG2-CZ 4.2Å
79I97.5Very high96.2Very high4 Ų416.3 Ų16.32%0.0218%0.077CC..Hα-helixtrans-65.3-40.9-175.7-62-59.8000110.9F52 I75 D77 Y82 A83 F568 I600 L724 Y727F52-I79 HydrophobicContact CZ-CG2 4.21Å; I75-I79 WeakPolarHBondContact O-CG1 3.49Å; I75-I79 PolarHBondContact O-N 3.34Å; I75-I79 VanDerWaalsContact O-N 3.12Å; D77-I79 PolarHBondContact O-N 3.02Å; I79-Y82 PolarHBondContact O-N 3.25Å; I79-A83 WeakPolarHBondContact O-CB 3.42Å; I79-A83 PolarHBondContact O-N 3.32Å; I79-F568 HydrophobicContact CB-CD1 4.08Å; I79-F568 HydrophobicContact CB-CE1 3.61Å; I79-F568 HydrophobicContact CB-CE2 4.44Å; I79-F568 HydrophobicContact CB-CZ 3.8Å; I79-F568 HydrophobicContact CG1-CE1 4.04Å; I79-F568 HydrophobicContact CG1-CE2 4.14Å; I79-F568 HydrophobicContact CG1-CZ 3.67Å; I79-F568 HydrophobicContact CG2-CD1 3.59Å; I79-F568 HydrophobicContact CG2-CD2 4.16Å; I79-F568 HydrophobicContact CG2-CE1 3.65Å; I79-F568 HydrophobicContact CG2-CE2 4.21Å; I79-F568 HydrophobicContact CG2-CG 3.84Å; I79-F568 HydrophobicContact CG2-CZ 3.95Å; I79-I600 HydrophobicContact CD1-CD1 4.07Å; I79-I600 HydrophobicContact CG1-CD1 3.99Å; I79-L724 HydrophobicContact CD1-CD2 4.33Å; I79-Y727 HydrophobicContact CD1-CD1 4.39Å; I79-Y727 HydrophobicContact CG2-CD1 4.27Å; I79-Y727 HydrophobicContact CG2-CE1 3.87Å
80T97.6Very high96.5Very high3 Ų313.1 Ų13.12%0.0186%0.062CC..Hα-helixtrans-73.4-33.9-17956.30000113.1F54 K76 D77 I78 H84 V90 R92F54-T80 HydrophobicContact CB-CG2 3.94Å; F54-T80 HydrophobicContact CD1-CG2 3.75Å; F54-T80 HydrophobicContact CD2-CG2 4.11Å; F54-T80 HydrophobicContact CE1-CG2 4.33Å; F54-T80 HydrophobicContact CG-CG2 3.63Å; K76-T80 WeakPolarHBondContact O-CB 3.48Å; K76-T80 WeakPolarHBondContact O-CG2 3.36Å; K76-T80 PolarHBondContact O-N 3.35Å; K76-T80 PolarHBondContact O-OG1 3.14Å; D77-T80 PolarHBondContact O-N 3.18Å; D77-T80 PolarHBondContact O-OG1 3.47Å; I78-T80 VanDerWaalsContact C-N 3.35Å; I78-T80 PolarHBondContact O-N 3.19Å; T80-H84 PolarHBondContact O-N 3.28Å; T80-H84 VanDerWaalsContact O-N 3.12Å; T80-V90 HydrophobicContact CG2-CG1 3.83Å; T80-R92 HydrophobicContact CG2-CG 4.45Å; T80-R92 PolarHBondContact O-NH2 2.83Å
81R97.6Very high96.4Very high5 Ų515.8 Ų15.82%0.0197%0.074CC..Hα-helixtrans-65.2-46.7169.3-75.3-179.8-176-82.4-1.4111.2D77 I78 A83 H84 Q85 G150 W152 P786 H830D77-R81 VanDerWaalsContact CG-NE 3.33Å; D77-R81 VanDerWaalsContact O-CB 3.31Å; D77-R81 WeakPolarHBondContact O-CB 3.23Å; D77-R81 VanDerWaalsContact O-CG 3.27Å; D77-R81 WeakPolarHBondContact O-CG 3.37Å; D77-R81 PolarHBondContact O-N 3.01Å; D77-R81 IonicContact OD1-CZ 2.72Å; D77-R81 IonicContact OD1-NE 3.11Å; D77-R81 PolarHBondContact OD1-NE 2.83Å; D77-R81 IonicContact OD1-NH2 3.88Å; D77-R81 IonicContact OD2-CZ 3.09Å; D77-R81 IonicContact OD2-NE 3.61Å; D77-R81 PolarHBondContact OD2-NE 2.87Å; D77-R81 IonicContact OD2-NH2 3.34Å; I78-R81 PolarHBondContact O-N 3.29Å; R81-A83 PolarHBondContact O-N 2.9Å; R81-H84 WeakPolarHBondContact O-CB 3.26Å; R81-H84 PolarHBondContact O-N 2.92Å; R81-Q85 WeakPolarHBondContact O-CG 3.36Å; R81-Q85 PolarHBondContact O-N 3.47Å; R81-G150 PolarHBondContact NH2-O 3.07Å; R81-W152 VanDerWaalsContact NH1-CD2 3.25Å; R81-W152 VanDerWaalsContact NH2-CE2 3.32Å; R81-P786 HydrophobicContact CB-CB 3.95Å; R81-P786 HydrophobicContact CB-CG 4.31Å; R81-H830 PolarHBondContact NH1-CE1 3.46Å; R81-H830 PolarHBondContact NH1-ND1 2.86Å
82Y97.1Very high96.5Very high16 Ų1616 Ų166%0.0638%0.075CC..Hα-helixtrans-61.4-45.8177.9176.4-105.3000111.7I78 I79 H84 Q85 R86 H721 L724I78-Y82 VanDerWaalsContact O-CB 3.26Å; I78-Y82 WeakPolarHBondContact O-CB 3.44Å; I78-Y82 PolarHBondContact O-N 3.01Å; I79-Y82 PolarHBondContact O-N 3.25Å; Y82-H84 VanDerWaalsContact C-N 3.31Å; Y82-H84 PolarHBondContact O-N 3.23Å; Y82-Q85 PolarHBondContact O-N 3.15Å; Y82-Q85 VanDerWaalsContact O-N 3.13Å; Y82-R86 HydrophobicContact CD1-CG 4.17Å; Y82-R86 HydrophobicContact CD2-CG 4.3Å; Y82-R86 HydrophobicContact CE1-CG 3.74Å; Y82-R86 HydrophobicContact CE2-CG 3.87Å; Y82-R86 HydrophobicContact CG-CG 4.44Å; Y82-R86 WeakPolarHBondContact O-CG 3.22Å; Y82-R86 PolarHBondContact O-N 2.97Å; Y82-H721 AromaticContact CE2-CE1 3.89Å; Y82-H721 AromaticContact CE2-ND1 3.56Å; Y82-H721 AromaticContact CZ-ND1 3.6Å; Y82-H721 WeakPolarHBondContact OH-CA 3.49Å; Y82-H721 PolarHBondContact OH-ND1 3.07Å; Y82-L724 HydrophobicContact CD1-CB 3.98Å; Y82-L724 HydrophobicContact CD1-CD1 3.95Å; Y82-L724 HydrophobicContact CD2-CD1 3.53Å; Y82-L724 HydrophobicContact CE1-CB 3.54Å; Y82-L724 HydrophobicContact CE1-CD1 4.03Å; Y82-L724 HydrophobicContact CE1-CG 4.46Å; Y82-L724 HydrophobicContact CE2-CB 4.4Å; Y82-L724 HydrophobicContact CE2-CD1 3.62Å; Y82-L724 HydrophobicContact CG-CD1 3.69Å
83A96.8Very high96.4Very high6 Ų617 Ų175%0.058%0.078CC..Hα-helixtrans-58.4-42.2175.200000112F52 I79 R81 Q85 R86 G87 Y88 V90F52-A83 HydrophobicContact CD1-CB 4.09Å; F52-A83 HydrophobicContact CD2-CB 4.01Å; F52-A83 HydrophobicContact CE1-CB 4.2Å; F52-A83 HydrophobicContact CE2-CB 4.11Å; F52-A83 HydrophobicContact CG-CB 3.99Å; F52-A83 HydrophobicContact CZ-CB 4.2Å; I79-A83 WeakPolarHBondContact O-CB 3.42Å; I79-A83 PolarHBondContact O-N 3.32Å; R81-A83 PolarHBondContact O-N 2.9Å; A83-Q85 PolarHBondContact O-N 3.49Å; A83-R86 CarbonylContact O-C 3.59Å; A83-R86 PolarHBondContact O-N 3.34Å; A83-G87 PolarHBondContact O-N 3.38Å; A83-Y88 WeakPolarHBondContact O-CB 3.43Å; A83-Y88 WeakPolarHBondContact O-CD2 3.37Å; A83-Y88 PolarHBondContact O-N 2.92Å; A83-Y88 VanDerWaalsContact O-N 3.1Å; A83-V90 HydrophobicContact CB-CG2 3.82Å
84H96.3Very high96.4Very high18 Ų1816.9 Ų16.98%0.0838%0.077CC..Hα-helixtrans-59.4-47.3173.8173.770000112.1S42 T80 R81 Y82 R86 G87 V90S42-H84 PolarHBondContact O-CE1 3.02Å; T80-H84 PolarHBondContact O-N 3.28Å; T80-H84 VanDerWaalsContact O-N 3.12Å; R81-H84 WeakPolarHBondContact O-CB 3.26Å; R81-H84 PolarHBondContact O-N 2.92Å; Y82-H84 VanDerWaalsContact C-N 3.31Å; Y82-H84 PolarHBondContact O-N 3.23Å; H84-R86 PolarHBondContact O-N 2.9Å; H84-G87 WeakPolarHBondContact O-CA 3.24Å; H84-G87 PolarHBondContact O-N 2.84Å; H84-V90 HydrophobicContact CB-CG2 4.16Å
85Q95.6Very high96.2Very high8 Ų816.9 Ų16.94%0.0378%0.077CC..Hα-helixtrans-63.8-28177.3-71.8-173.9-49.800113.4R81 Y82 A83 G87 C782 S785 I832 Q833 A834R81-Q85 WeakPolarHBondContact O-CG 3.36Å; R81-Q85 PolarHBondContact O-N 3.47Å; Y82-Q85 PolarHBondContact O-N 3.15Å; Y82-Q85 VanDerWaalsContact O-N 3.13Å; A83-Q85 PolarHBondContact O-N 3.49Å; Q85-G87 PolarHBondContact O-N 3.08Å; Q85-C782 PolarHBondContact NE2-O 3.24Å; Q85-S785 PolarHBondContact NE2-OG 3.28Å; Q85-I832 PolarHBondContact NE2-O 3.41Å; Q85-Q833 WeakPolarHBondContact O-CA 3.31Å; Q85-Q833 WeakPolarHBondContact O-CB 3.44Å; Q85-A834 HydrophobicContact CB-CB 4Å; Q85-A834 PolarHBondContact O-N 3.36Å; Q85-A834 VanDerWaalsContact O-N 3.14Å
86R95.3Very high96.1Very high78 Ų7816.9 Ų16.929%0.2948%0.077SC..THydrogen-bonded Turntrans-78.86.1171.7-65.4-58.7-59.1161.412.8113.5Y82 A83 H84 Y88 H721 E836Y82-R86 HydrophobicContact CD1-CG 4.17Å; Y82-R86 HydrophobicContact CD2-CG 4.3Å; Y82-R86 HydrophobicContact CE1-CG 3.74Å; Y82-R86 HydrophobicContact CE2-CG 3.87Å; Y82-R86 HydrophobicContact CG-CG 4.44Å; Y82-R86 WeakPolarHBondContact O-CG 3.22Å; Y82-R86 PolarHBondContact O-N 2.97Å; A83-R86 CarbonylContact O-C 3.59Å; A83-R86 PolarHBondContact O-N 3.34Å; H84-R86 PolarHBondContact O-N 2.9Å; R86-Y88 HydrophobicContact CB-CD2 4.18Å; R86-Y88 HydrophobicContact CB-CE2 4.28Å; R86-H721 PolarHBondContact NH1-NE2 2.94Å; R86-E836 IonicContact CZ-OE1 3.82Å; R86-E836 VanDerWaalsContact NH1-CD 3.28Å; R86-E836 IonicContact NH1-OE1 3.67Å; R86-E836 PolarHBondContact NH1-OE1 2.98Å; R86-E836 IonicContact NH1-OE2 2.93Å; R86-E836 PolarHBondContact NH1-OE2 3.1Å; R86-E836 IonicContact NH2-OE1 2.77Å; R86-E836 PolarHBondContact NH2-OE1 3.46Å; R86-E836 IonicContact NH2-OE2 3.72Å
87G94.3Very high95.8Very high18 Ų1816.6 Ų16.619%0.1868%0.076CC..THydrogen-bonded Turntrans94.214.1172.200000115.5K49 A83 H84 Q85K49-G87 WeakPolarHBondContact CB-O 3.38Å; K49-G87 WeakPolarHBondContact CD-O 3.18Å; A83-G87 PolarHBondContact O-N 3.38Å; H84-G87 WeakPolarHBondContact O-CA 3.24Å; H84-G87 PolarHBondContact O-N 2.84Å; Q85-G87 PolarHBondContact O-N 3.08Å
88Y96.4Very high95.6Very high72 Ų7216.5 Ų16.528%0.2828%0.075SC..  trans-89.2153.3175.8-66.8-93.5000112.7S46 R50 F52 A83 R86S46-Y88 WeakPolarHBondContact CB-O 3.46Å; R50-Y88 HydrophobicContact CB-CD1 4.19Å; R50-Y88 HydrophobicContact CB-CE1 4.34Å; R50-Y88 HydrophobicContact CG-CD1 4.11Å; R50-Y88 HydrophobicContact CG-CE1 3.99Å; R50-Y88 WeakPolarHBondContact O-CA 3.47Å; R50-Y88 WeakPolarHBondContact O-CD1 3.39Å; F52-Y88 HydrophobicContact CB-CD1 3.89Å; F52-Y88 HydrophobicContact CB-CG 3.97Å; F52-Y88 HydrophobicContact CD2-CD1 4.47Å; F52-Y88 HydrophobicContact CD2-CG 4.5Å; A83-Y88 WeakPolarHBondContact O-CB 3.43Å; A83-Y88 WeakPolarHBondContact O-CD2 3.37Å; A83-Y88 PolarHBondContact O-N 2.92Å; A83-Y88 VanDerWaalsContact O-N 3.1Å; R86-Y88 HydrophobicContact CB-CD2 4.18Å; R86-Y88 HydrophobicContact CB-CE2 4.28Å
89H96Very high95.2Very high26 Ų2616.5 Ų16.512%0.128%0.075CC..BIsolated β-bridgetrans-86.9114163.1-170.964.4000109.5S46 R50 R51 F52S46-H89 WeakPolarHBondContact O-CB 3.44Å; S46-H89 PolarHBondContact O-ND1 3.14Å; S46-H89 PolarHBondContact OG-ND1 3.26Å; R50-H89 PolarHBondContact O-N 3.23Å; R51-H89 WeakPolarHBondContact CA-O 3.36Å; F52-H89 PolarHBondContact N-O 3.48Å
90V96.3Very high94.5Very high0 Ų016.8 Ų16.80%08%0.079CC..  trans-117.498.4-174.6-165.70000109.4L43 F52 T80 A83 H84 R92L43-V90 WeakPolarHBondContact CD2-O 3.48Å; F52-V90 HydrophobicContact CB-CG2 4.11Å; F52-V90 HydrophobicContact CD1-CG1 4.02Å; F52-V90 HydrophobicContact CD1-CG2 4.38Å; T80-V90 HydrophobicContact CG2-CG1 3.83Å; A83-V90 HydrophobicContact CB-CG2 3.82Å; H84-V90 HydrophobicContact CB-CG2 4.16Å; V90-R92 HydrophobicContact CG1-CG 4.05Å
91E92.9Very high93.5Very high61 Ų6118.9 Ų18.929%0.2859%0.09SC..  trans-74.1132.1171.4-171.8175.9-171.700109.6R51 R93R51-E91 IonicContact CZ-OE2 3.56Å; R51-E91 IonicContact NH1-OE2 3.95Å; R51-E91 PolarHBondContact NH1-OE2 3.21Å; R51-E91 IonicContact NH2-OE2 3.12Å; E91-R93 HydrophobicContact CG-CG 4.21Å; E91-R93 WeakPolarHBondContact OE1-CD 3.35Å
92R95.9Very high92.6Very high4 Ų420.6 Ų20.62%0.01510%0.102CC..  trans-131.793-173.4-55.3168.4-158.8167-0.8108.7F39 F54 T80 V90 W152 I153 D154F39-R92 HydrophobicContact CZ-CB 4.2Å; F54-R92 HydrophobicContact CD1-CG 4.44Å; T80-R92 HydrophobicContact CG2-CG 4.45Å; T80-R92 PolarHBondContact O-NH2 2.83Å; V90-R92 HydrophobicContact CG1-CG 4.05Å; R92-W152 VanDerWaalsContact CD-O 3.23Å; R92-W152 WeakPolarHBondContact CD-O 3.46Å; R92-I153 HydrophobicContact CB-CG1 4.23Å; R92-I153 WeakPolarHBondContact O-CG1 3.44Å; R92-D154 VanDerWaalsContact O-CB 3.26Å; R92-D154 WeakPolarHBondContact O-CB 3.45Å; R92-D154 PolarHBondContact O-N 3.44Å
93R94.2Very high92Very high26 Ų2619.9 Ų19.910%0.09810%0.099CC..EExtended strand (participates in β ladder)trans-104.5133178.9-66.2177.463.9-159.4-2.5110.1E91 N157 D158 Y159 Q549E91-R93 HydrophobicContact CG-CG 4.21Å; E91-R93 WeakPolarHBondContact OE1-CD 3.35Å; R93-N157 PolarHBondContact NE-ND2 2.97Å; R93-N157 PolarHBondContact NE-O 2.87Å; R93-N157 PolarHBondContact NH2-O 3.16Å; R93-D158 PolarHBondContact NH2-O 2.89Å; R93-Y159 HydrophobicContact CB-CD1 4.46Å; R93-Q549 PolarHBondContact NH1-O 3.33Å; R93-Q549 PolarHBondContact NH2-O 2.92Å
94F95.3Very high91.5Very high0 Ų019.6 Ų19.60%010%0.096CC..EExtended strand (participates in β ladder)trans-75.9141176.5-159.2-80.4000110.3P59 W96 W142 R151 I153 D154 F155 D158 Y159P59-F94 HydrophobicContact CG-CE1 3.71Å; P59-F94 HydrophobicContact CG-CZ 3.72Å; F94-W96 HydrophobicContact CD1-CD2 4.05Å; F94-W96 AromaticContact CD1-CE2 3.5Å; F94-W96 HydrophobicContact CD1-CG 4.38Å; F94-W96 HydrophobicContact CD1-CH2 4.38Å; F94-W96 AromaticContact CD1-CZ2 3.74Å; F94-W96 HydrophobicContact CD1-CZ2 3.74Å; F94-W96 AromaticContact CD1-NE1 3.53Å; F94-W96 AromaticContact CE1-CD2 3.77Å; F94-W96 HydrophobicContact CE1-CD2 3.77Å; F94-W96 AromaticContact CE1-CE2 3.4Å; F94-W96 VanDerWaalsContact CE1-CE2 3.4Å; F94-W96 HydrophobicContact CE1-CE3 4Å; F94-W96 HydrophobicContact CE1-CG 4.49Å; F94-W96 AromaticContact CE1-CH2 3.5Å; F94-W96 HydrophobicContact CE1-CH2 3.5Å; F94-W96 AromaticContact CE1-CZ2 3.3Å; F94-W96 HydrophobicContact CE1-CZ2 3.3Å; F94-W96 AromaticContact CE1-CZ3 3.89Å; F94-W96 HydrophobicContact CE1-CZ3 3.89Å; F94-W96 AromaticContact CE1-NE1 3.94Å; F94-W96 AromaticContact CZ-CH2 3.93Å; F94-W96 HydrophobicContact CZ-CH2 3.93Å; F94-W96 AromaticContact CZ-CZ2 3.98Å; F94-W96 HydrophobicContact CZ-CZ2 3.98Å; F94-W96 HydrophobicContact CZ-CZ3 4.47Å; F94-W142 AromaticContact CZ-CE3 3.89Å; F94-W142 HydrophobicContact CZ-CE3 3.89Å; F94-W142 HydrophobicContact CZ-CZ3 4.19Å; F94-R151 VanDerWaalsContact CE2-NH1 3.28Å; F94-I153 HydrophobicContact CB-CD1 4.09Å; F94-I153 HydrophobicContact CB-CG1 4Å; F94-I153 HydrophobicContact CD2-CD1 3.85Å; F94-I153 HydrophobicContact CD2-CG1 4.22Å; F94-I153 HydrophobicContact CD2-CG2 3.74Å; F94-I153 HydrophobicContact CG-CD1 4.34Å; F94-D154 WeakPolarHBondContact CB-O 3.36Å; F94-D154 PolarHBondContact N-O 2.82Å; F94-F155 HydrophobicContact CB-CD1 4.1Å; F94-F155 HydrophobicContact CB-CE1 4.11Å; F94-F155 HydrophobicContact CD1-CD1 4.4Å; F94-F155 AromaticContact CD1-CE1 3.89Å; F94-F155 HydrophobicContact CD1-CE1 3.89Å; F94-F155 HydrophobicContact CD2-CD1 4.26Å; F94-F155 AromaticContact CD2-CE1 3.44Å; F94-F155 HydrophobicContact CD2-CE1 3.44Å; F94-F155 VanDerWaalsContact CD2-CE1 3.44Å; F94-F155 HydrophobicContact CD2-CE2 4.13Å; F94-F155 AromaticContact CD2-CZ 3.36Å; F94-F155 HydrophobicContact CD2-CZ 3.36Å; F94-F155 HydrophobicContact CE1-CE1 4.17Å; F94-F155 AromaticContact CE2-CE1 3.71Å; F94-F155 HydrophobicContact CE2-CE1 3.71Å; F94-F155 AromaticContact CE2-CZ 3.54Å; F94-F155 HydrophobicContact CE2-CZ 3.54Å; F94-F155 HydrophobicContact CG-CD1 4.01Å; F94-F155 AromaticContact CG-CE1 3.54Å; F94-F155 HydrophobicContact CG-CE1 3.54Å; F94-F155 AromaticContact CG-CZ 3.96Å; F94-F155 HydrophobicContact CG-CZ 3.96Å; F94-F155 HydrophobicContact CZ-CE1 4.09Å; F94-F155 HydrophobicContact CZ-CZ 4.28Å; F94-D158 HydrophobicContact CB-CB 4.47Å; F94-D158 WeakPolarHBondContact O-CA 3.47Å; F94-D158 WeakPolarHBondContact O-CB 3.36Å; F94-Y159 WeakPolarHBondContact O-CD1 3.4Å; F94-Y159 PolarHBondContact O-N 3.06Å
95G94Very high90.7Very high0 Ų021.3 Ų21.30%010%0.103CC..EExtended strand (participates in β ladder)trans-109.1146.1176.800000114.1P59 Y159P59-G95 VanDerWaalsContact CD-O 3.29Å; P59-G95 WeakPolarHBondContact CD-O 3.44Å; G95-Y159 CarbonylContact C-O 3.57Å; G95-Y159 VanDerWaalsContact CA-CE2 3.42Å; G95-Y159 WeakPolarHBondContact CA-O 3.34Å; G95-Y159 WeakPolarHBondContact CA-OH 3.24Å
96W94.3Very high90Very high0 Ų023.7 Ų23.70%011%0.114CC..EExtended strand (participates in β ladder)trans-127.5123.1172-65.2101.8000112.5P59 A61 F94 C98 S139 W142 F155 D158 Y159 R160 T161P59-W96 HydrophobicContact CG-CE3 4.31Å; P59-W96 HydrophobicContact CG-CZ3 4.05Å; A61-W96 HydrophobicContact CB-CE3 3.75Å; A61-W96 HydrophobicContact CB-CZ3 4.11Å; F94-W96 HydrophobicContact CD1-CD2 4.05Å; F94-W96 AromaticContact CD1-CE2 3.5Å; F94-W96 HydrophobicContact CD1-CG 4.38Å; F94-W96 HydrophobicContact CD1-CH2 4.38Å; F94-W96 AromaticContact CD1-CZ2 3.74Å; F94-W96 HydrophobicContact CD1-CZ2 3.74Å; F94-W96 AromaticContact CD1-NE1 3.53Å; F94-W96 AromaticContact CE1-CD2 3.77Å; F94-W96 HydrophobicContact CE1-CD2 3.77Å; F94-W96 AromaticContact CE1-CE2 3.4Å; F94-W96 VanDerWaalsContact CE1-CE2 3.4Å; F94-W96 HydrophobicContact CE1-CE3 4Å; F94-W96 HydrophobicContact CE1-CG 4.49Å; F94-W96 AromaticContact CE1-CH2 3.5Å; F94-W96 HydrophobicContact CE1-CH2 3.5Å; F94-W96 AromaticContact CE1-CZ2 3.3Å; F94-W96 HydrophobicContact CE1-CZ2 3.3Å; F94-W96 AromaticContact CE1-CZ3 3.89Å; F94-W96 HydrophobicContact CE1-CZ3 3.89Å; F94-W96 AromaticContact CE1-NE1 3.94Å; F94-W96 AromaticContact CZ-CH2 3.93Å; F94-W96 HydrophobicContact CZ-CH2 3.93Å; F94-W96 AromaticContact CZ-CZ2 3.98Å; F94-W96 HydrophobicContact CZ-CZ2 3.98Å; F94-W96 HydrophobicContact CZ-CZ3 4.47Å; W96-C98 WeakPolarHBondContact CB-SG 3.37Å; W96-C98 PolarHBondContact O-N 2.88Å; W96-C98 PolarHBondContact O-SG 3.14Å; W96-S139 VanDerWaalsContact CZ2-CB 3.48Å; W96-W142 HydrophobicContact CH2-CB 3.42Å; W96-W142 VanDerWaalsContact CH2-CB 3.42Å; W96-W142 AromaticContact CH2-CD2 3.87Å; W96-W142 HydrophobicContact CH2-CD2 3.87Å; W96-W142 HydrophobicContact CH2-CE3 4.27Å; W96-W142 AromaticContact CH2-CG 3.53Å; W96-W142 HydrophobicContact CH2-CG 3.53Å; W96-W142 HydrophobicContact CZ2-CB 4.06Å; W96-W142 HydrophobicContact CZ3-CB 4.45Å; W96-W142 HydrophobicContact CZ3-CD2 4.22Å; W96-W142 HydrophobicContact CZ3-CG 4.14Å; W96-F155 HydrophobicContact CZ2-CD1 4.47Å; W96-F155 AromaticContact CZ2-CE1 3.96Å; W96-F155 HydrophobicContact CZ2-CE1 3.96Å; W96-D158 PolarHBondContact NE1-OD2 3.3Å; W96-Y159 PolarHBondContact N-O 2.84Å; W96-R160 HydrophobicContact CB-CB 4.4Å; W96-R160 HydrophobicContact CB-CG 3.97Å; W96-R160 VanDerWaalsContact CD1-CZ 3.49Å; W96-R160 HydrophobicContact CG-CG 4.24Å; W96-T161 PolarHBondContact O-N 3.06Å; W96-T161 VanDerWaalsContact O-N 3.12Å
97D91.7Very high89.6Confident2 Ų220.2 Ų20.21%0.01110%0.101CC..BIsolated β-bridgetrans-85.5101.8166.7-161.3-21.5000107.7P58 P59 F60 A61P58-D97 HydrophobicContact CB-CB 4.28Å; P58-D97 HydrophobicContact CG-CB 4.41Å; P59-D97 PolarHBondContact O-N 3.3Å; F60-D97 HydrophobicContact CD1-CB 3.84Å; F60-D97 HydrophobicContact CE1-CB 3.96Å; F60-D97 VanDerWaalsContact CE1-CG 3.42Å; F60-D97 VanDerWaalsContact CE1-OD2 3.31Å; F60-D97 WeakPolarHBondContact CE1-OD2 3.47Å; A61-D97 PolarHBondContact N-O 2.96Å
98C93.8Very high89.2Confident0 Ų019.6 Ų19.60%09%0.094CC..  trans-98.2-8.7-167.8-63.80000112.7W96 V135 T161 M162 W475W96-C98 WeakPolarHBondContact CB-SG 3.37Å; W96-C98 PolarHBondContact O-N 2.88Å; W96-C98 PolarHBondContact O-SG 3.14Å; C98-V135 HydrophobicContact CB-CG1 4.01Å; C98-V135 HydrophobicContact CB-CG2 4.29Å; C98-V135 VanDerWaalsContact SG-CG1 3.53Å; C98-T161 PolarHBondContact N-OG1 2.83Å; C98-M162 HydrophobicContact CB-CB 3.99Å; C98-M162 HydrophobicContact CB-CG 3.97Å; C98-M162 HydrophobicContact CB-SD 4.15Å; C98-W475 PolarHBondContact O-NE1 3.05Å
99H89.8Confident88.5Confident0 Ų022.9 Ų22.90%011%0.109CC..  trans-115.3174-168-71.6157.3000113.2T161 M162 W475 H511 E541H99-T161 PolarHBondContact CE1-O 3.24Å; H99-T161 VanDerWaalsContact CE1-O 3.26Å; H99-M162 VanDerWaalsContact CE1-CA 3.47Å; H99-M162 WeakPolarHBondContact CE1-CA 3.3Å; H99-M162 WeakPolarHBondContact NE2-CA 3.49Å; H99-M162 VanDerWaalsContact NE2-CB 3.34Å; H99-M162 WeakPolarHBondContact NE2-CB 3.4Å; H99-W475 AromaticContact CD2-CE2 3.6Å; H99-W475 AromaticContact CD2-CZ2 3.89Å; H99-W475 AromaticContact CD2-NE1 3.59Å; H99-H511 AromaticContact CE1-NE2 3.77Å; H99-H511 AromaticContact NE2-CD2 3.77Å; H99-H511 AromaticContact NE2-CE1 3.93Å; H99-H511 AromaticContact NE2-NE2 2.97Å; H99-H511 PolarHBondContact NE2-NE2 2.97Å; H99-E541 VanDerWaalsContact CB-OE2 3.28Å; H99-E541 WeakPolarHBondContact CB-OE2 3.24Å; H99-E541 IonicContact CE1-OE1 3.23Å; H99-E541 IonicContact CE1-OE2 2.76Å; H99-E541 IonicContact CG-OE1 2.82Å; H99-E541 IonicContact CG-OE2 2.75Å; H99-E541 IonicContact ND1-OE1 2.7Å; H99-E541 PolarHBondContact ND1-OE1 3.13Å; H99-E541 IonicContact ND1-OE2 3.88Å; H99-E541 PolarHBondContact ND1-OE2 2.85Å
100G83.6Confident88Confident9 Ų927.2 Ų27.29%0.09313%0.13CC..SBendtrans83.4-172.6167.200000114.8P102 V103 E104 W475G100-P102 VanDerWaalsContact C-CD 3.41Å; G100-V103 PolarHBondContact O-N 3.23Å; G100-E104 PolarHBondContact O-N 3.44Å; G100-W475 PolarHBondContact N-O 2.98Å
101L76.4Confident87.6Confident47 Ų4730.3 Ų30.325%0.24615%0.146CC..Hα-helixtrans-55.8-38.7-168.8-174.263.9000114.4V103 Y105L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 2.67Å; L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 PolarHBondContact O-N 3.15Å
102P79.3Confident87.1Confident42 Ų4230 Ų3027%0.27316%0.158SC..Hα-helixtrans-59.7-39.5179.8-27.438.1000113.7F60 T62 G100F60-P102 HydrophobicContact CD1-CB 4.03Å; F60-P102 HydrophobicContact CD1-CG 3.91Å; F60-P102 HydrophobicContact CD2-CG 4.38Å; F60-P102 HydrophobicContact CE1-CB 4.41Å; F60-P102 HydrophobicContact CE1-CG 3.79Å; F60-P102 HydrophobicContact CE2-CG 4.28Å; F60-P102 HydrophobicContact CG-CB 4.16Å; F60-P102 HydrophobicContact CG-CG 4.22Å; F60-P102 HydrophobicContact CZ-CG 3.99Å; T62-P102 VanDerWaalsContact CG2-C 3.47Å; T62-P102 HydrophobicContact CG2-CB 3.84Å; T62-P102 WeakPolarHBondContact CG2-O 3.26Å; G100-P102 VanDerWaalsContact C-CD 3.41Å
103V84.8Confident86.4Confident0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-75.5-48.5-179.8176.20000110.5T62 G100 L101 Y105 E106 V107 C131 I134 V135T62-V103 HydrophobicContact CG2-CB 4.29Å; T62-V103 HydrophobicContact CG2-CG2 3.58Å; G100-V103 PolarHBondContact O-N 3.23Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 2.67Å; V103-Y105 PolarHBondContact O-N 3.16Å; V103-E106 PolarHBondContact O-N 3.16Å; V103-V107 PolarHBondContact O-N 2.83Å; V103-C131 HydrophobicContact CG1-CB 4.05Å; V103-I134 HydrophobicContact CG1-CG2 3.67Å; V103-V135 HydrophobicContact CG1-CG2 3.92Å; V103-V135 HydrophobicContact CG2-CG2 4.12Å
104E84.9Confident85.3Confident0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-58.5-37.6177-71.7-174.8140.300112G100 E106 V107 D108 Y127 R473 F474 W475G100-E104 PolarHBondContact O-N 3.44Å; E104-E106 PolarHBondContact O-N 2.87Å; E104-V107 PolarHBondContact O-N 3.41Å; E104-D108 VanDerWaalsContact O-CB 3.29Å; E104-D108 WeakPolarHBondContact O-CB 3.37Å; E104-D108 PolarHBondContact O-N 3.19Å; E104-Y127 WeakPolarHBondContact CB-OH 3.28Å; E104-Y127 HydrophobicContact CG-CE1 3.99Å; E104-Y127 PolarHBondContact O-OH 3.47Å; E104-R473 VanDerWaalsContact CB-NH2 3.33Å; E104-R473 IonicContact OE2-CZ 2.67Å; E104-R473 IonicContact OE2-NE 3.83Å; E104-R473 PolarHBondContact OE2-NE 3.22Å; E104-R473 IonicContact OE2-NH2 3.81Å; E104-R473 PolarHBondContact OE2-NH2 3.35Å; E104-F474 PolarHBondContact OE1-N 3.04Å; E104-W475 HydrophobicContact CG-CB 3.66Å; E104-W475 PolarHBondContact OE1-N 3.44Å
105Y80.8Confident84.1Confident55 Ų5533.3 Ų33.322%0.21618%0.183CC..Hα-helixtrans-62.1-40.6178.8-178.9-95.2000112.8L101 V103 K109 W413L101-Y105 WeakPolarHBondContact O-CB 3.49Å; L101-Y105 PolarHBondContact O-N 3.15Å; V103-Y105 PolarHBondContact O-N 3.16Å; Y105-K109 WeakPolarHBondContact O-CB 3.37Å; Y105-K109 PolarHBondContact O-N 2.64Å; Y105-W413 HydrophobicContact CD2-CH2 4.03Å; Y105-W413 AromaticContact CD2-CZ2 3.93Å; Y105-W413 HydrophobicContact CD2-CZ2 3.93Å; Y105-W413 AromaticContact CE2-CH2 3.42Å; Y105-W413 HydrophobicContact CE2-CH2 3.42Å; Y105-W413 VanDerWaalsContact CE2-CH2 3.42Å; Y105-W413 AromaticContact CE2-CZ2 3.54Å; Y105-W413 HydrophobicContact CE2-CZ2 3.54Å; Y105-W413 HydrophobicContact CE2-CZ3 4.15Å
106E80.3Confident83.2Confident58 Ų5834.4 Ų34.427%0.27119%0.19SC..Hα-helixtrans-69.3-37.4177-69.5-62.5130.900111.5V103 E104 K109 E110 I134V103-E106 PolarHBondContact O-N 3.16Å; E104-E106 PolarHBondContact O-N 2.87Å; E106-K109 PolarHBondContact O-N 2.82Å; E106-E110 WeakPolarHBondContact O-CB 3.37Å; E106-E110 PolarHBondContact O-N 2.92Å; E106-I134 HydrophobicContact CB-CD1 3.72Å
107V87Confident82.5Confident4 Ų438.8 Ų38.82%0.02421%0.21CC..Hα-helixtrans-68-44.1174.6174.80000111.4V103 E104 K109 E110 L111 Y127 K130 C131 I134V103-V107 PolarHBondContact O-N 2.83Å; E104-V107 PolarHBondContact O-N 3.41Å; V107-K109 PolarHBondContact O-N 3.24Å; V107-E110 PolarHBondContact O-N 3.11Å; V107-E110 VanDerWaalsContact O-N 3.15Å; V107-L111 HydrophobicContact CG1-CD1 3.64Å; V107-L111 HydrophobicContact CG1-CG 4.26Å; V107-L111 WeakPolarHBondContact O-CB 3.39Å; V107-L111 WeakPolarHBondContact O-CG 3.39Å; V107-L111 PolarHBondContact O-N 2.72Å; V107-Y127 HydrophobicContact CG1-CD2 4.35Å; V107-Y127 HydrophobicContact CG1-CE2 3.95Å; V107-K130 HydrophobicContact CG1-CB 3.97Å; V107-C131 HydrophobicContact CG2-CB 4.44Å; V107-I134 HydrophobicContact CG2-CB 4.41Å; V107-I134 HydrophobicContact CG2-CD1 4.37Å; V107-I134 HydrophobicContact CG2-CG2 3.96Å
108D84.7Confident82.1Confident6 Ų640.5 Ų40.53%0.03222%0.22CC..Hα-helixtrans-56.5-42.6176.8-75.3-10.6000110.1E104 G112 I113 Y127 R414 R473E104-D108 VanDerWaalsContact O-CB 3.29Å; E104-D108 WeakPolarHBondContact O-CB 3.37Å; E104-D108 PolarHBondContact O-N 3.19Å; D108-G112 CarbonylContact O-C 3.55Å; D108-G112 WeakPolarHBondContact O-CA 3.47Å; D108-G112 PolarHBondContact O-N 2.67Å; D108-I113 HydrophobicContact CB-CB 4.09Å; D108-I113 PolarHBondContact O-N 3.46Å; D108-Y127 WeakPolarHBondContact OD1-CE2 3.14Å; D108-Y127 PolarHBondContact OD1-OH 3.48Å; D108-R414 IonicContact OD2-NH2 3.26Å; D108-R473 IonicContact OD2-NH2 3.99Å
109K81.6Confident81.7Confident140 Ų14040.5 Ų40.561%0.60922%0.22SC*.Hα-helixtrans-69.3-40.2177.6-172.8-177.8175.7-169.60113Y105 E106 V107Y105-K109 WeakPolarHBondContact O-CB 3.37Å; Y105-K109 PolarHBondContact O-N 2.64Å; E106-K109 PolarHBondContact O-N 2.82Å; V107-K109 PolarHBondContact O-N 3.24Å
110E85.9Confident81.4Confident118 Ų11846.1 Ų46.155%0.55125%0.246SC*.Hα-helixtrans-66.5-38.9178.1-172.6175.5143.100111.7E106 V107 R137E106-E110 WeakPolarHBondContact O-CB 3.37Å; E106-E110 PolarHBondContact O-N 2.92Å; V107-E110 PolarHBondContact O-N 3.11Å; V107-E110 VanDerWaalsContact O-N 3.15Å; E110-R137 IonicContact OE2-NH1 3.66Å
111L87.5Confident81.6Confident65 Ų6553.7 Ų53.734%0.3428%0.276SS..Hα-helixtrans-94.9-7.7-176.2-63.1179.2000114V107 I113 M122 K130V107-L111 HydrophobicContact CG1-CD1 3.64Å; V107-L111 HydrophobicContact CG1-CG 4.26Å; V107-L111 WeakPolarHBondContact O-CB 3.39Å; V107-L111 WeakPolarHBondContact O-CG 3.39Å; V107-L111 PolarHBondContact O-N 2.72Å; L111-I113 HydrophobicContact CB-CD1 4.21Å; L111-I113 HydrophobicContact CB-CG1 3.85Å; L111-M122 HydrophobicContact CD1-CE 4.03Å; L111-M122 HydrophobicContact CD1-SD 4.07Å; L111-K130 HydrophobicContact CD1-CB 4.36Å; L111-K130 HydrophobicContact CD1-CG 4.16Å
112G83.9Confident82.4Confident53 Ų5354.5 Ų54.555%0.54628%0.279SS..THydrogen-bonded Turntrans67.932.5-176.100000113.7D108 T114D108-G112 CarbonylContact O-C 3.55Å; D108-G112 WeakPolarHBondContact O-CA 3.47Å; D108-G112 PolarHBondContact O-N 2.67Å; G112-T114 PolarHBondContact O-N 2.73Å
113I80.5Confident83Confident18 Ų1853.8 Ų53.89%0.09228%0.28CS..  trans-70.5121.6179.8-60-64000109.6D108 L111 D118 V119 Y127D108-I113 HydrophobicContact CB-CB 4.09Å; D108-I113 PolarHBondContact O-N 3.46Å; L111-I113 HydrophobicContact CB-CD1 4.21Å; L111-I113 HydrophobicContact CB-CG1 3.85Å; I113-D118 HydrophobicContact CD1-CB 3.93Å; I113-D118 HydrophobicContact CG2-CB 4.19Å; I113-V119 HydrophobicContact CG2-CG2 3.72Å; I113-Y127 HydrophobicContact CG1-CE2 4.22Å
114T70.8Confident83.4Confident75 Ų7555.5 Ų55.546%0.4629%0.291SS..  trans-98-16.8-178.968.10000113G112 D118 C196 R414G112-T114 PolarHBondContact O-N 2.73Å; T114-D118 PolarHBondContact N-OD2 2.87Å; T114-D118 PolarHBondContact OG1-OD2 3.2Å; T114-C196 PolarHBondContact O-SG 2.92Å; T114-R414 WeakPolarHBondContact O-CD 3.29Å
115G70.2Confident83.8Confident8 Ų857.7 Ų57.78%0.08231%0.309CS..SBendtrans-178.8-177.117600000114.8H117 D118G115-H117 VanDerWaalsContact C-N 3.25Å; G115-H117 PolarHBondContact O-N 2.84Å; G115-D118 PolarHBondContact O-N 3.03Å; G115-D118 VanDerWaalsContact O-N 3.08Å
116P76.4Confident84.5Confident23 Ų2357.8 Ų57.815%0.14932%0.316CS..Hα-helixtrans-53.7-37.9-179.4-24.933.1000113.9D118 V119 E120 C196 T198 F474P116-D118 VanDerWaalsContact C-N 3.28Å; P116-D118 PolarHBondContact O-N 2.78Å; P116-V119 CarbonylContact O-C 3.56Å; P116-V119 WeakPolarHBondContact O-CA 3.37Å; P116-V119 WeakPolarHBondContact O-CB 3.29Å; P116-V119 PolarHBondContact O-N 2.87Å; P116-V119 VanDerWaalsContact O-N 3.07Å; P116-E120 WeakPolarHBondContact O-CG 3.2Å; P116-E120 PolarHBondContact O-N 3.24Å; P116-C196 WeakPolarHBondContact CD-O 3.19Å; P116-C196 WeakPolarHBondContact CG-O 3.46Å; P116-T198 HydrophobicContact CG-CG2 3.94Å; P116-F474 HydrophobicContact CB-CE2 4.32Å; P116-F474 HydrophobicContact CB-CZ 3.92Å
117H79.1Confident85.1Confident91 Ų9155 Ų5542%0.42130%0.304SS..Hα-helixtrans-63.2-31179.2-69-48.7000113.7G115 V119 E120 K121G115-H117 VanDerWaalsContact C-N 3.25Å; G115-H117 PolarHBondContact O-N 2.84Å; H117-V119 VanDerWaalsContact C-N 3.34Å; H117-E120 IonicContact CE1-OE2 2.8Å; H117-E120 IonicContact CG-OE2 3.35Å; H117-E120 IonicContact ND1-OE2 2.7Å; H117-E120 PolarHBondContact ND1-OE2 3.18Å; H117-E120 PolarHBondContact O-N 3.03Å; H117-K121 WeakPolarHBondContact O-CB 3.06Å; H117-K121 VanDerWaalsContact O-CG 3.24Å; H117-K121 WeakPolarHBondContact O-CG 3.09Å; H117-K121 PolarHBondContact O-N 3.39Å
118D83.4Confident85.5Confident38 Ų3854.9 Ų54.920%0.20330%0.303CS..Hα-helixtrans-71.8-35.1175.2-66-28000110.7I113 T114 G115 P116 K121 M122I113-D118 HydrophobicContact CD1-CB 3.93Å; I113-D118 HydrophobicContact CG2-CB 4.19Å; T114-D118 PolarHBondContact N-OD2 2.87Å; T114-D118 PolarHBondContact OG1-OD2 3.2Å; G115-D118 PolarHBondContact O-N 3.03Å; G115-D118 VanDerWaalsContact O-N 3.08Å; P116-D118 VanDerWaalsContact C-N 3.28Å; P116-D118 PolarHBondContact O-N 2.78Å; D118-K121 PolarHBondContact O-N 2.86Å; D118-K121 IonicContact OD1-NZ 3.53Å; D118-M122 WeakPolarHBondContact O-CB 3.49Å; D118-M122 PolarHBondContact O-N 2.95Å
119V85.4Confident86Confident1 Ų158.8 Ų58.81%0.00632%0.323CS..Hα-helixtrans-66.7-43.2172.8-178.30000110.9I113 P116 H117 K121 M122 G123 Y127 F474I113-V119 HydrophobicContact CG2-CG2 3.72Å; P116-V119 CarbonylContact O-C 3.56Å; P116-V119 WeakPolarHBondContact O-CA 3.37Å; P116-V119 WeakPolarHBondContact O-CB 3.29Å; P116-V119 PolarHBondContact O-N 2.87Å; P116-V119 VanDerWaalsContact O-N 3.07Å; H117-V119 VanDerWaalsContact C-N 3.34Å; V119-K121 PolarHBondContact O-N 3.4Å; V119-M122 PolarHBondContact O-N 2.93Å; V119-G123 CarbonylContact O-C 3.43Å; V119-G123 WeakPolarHBondContact O-CA 3.23Å; V119-G123 PolarHBondContact O-N 3.12Å; V119-Y127 HydrophobicContact CB-CD2 4.44Å; V119-Y127 HydrophobicContact CG1-CD1 4.05Å; V119-Y127 HydrophobicContact CG1-CD2 4.01Å; V119-Y127 HydrophobicContact CG1-CG 3.66Å; V119-Y127 HydrophobicContact CG2-CD2 3.78Å; V119-Y127 HydrophobicContact CG2-CE2 3.78Å; V119-Y127 HydrophobicContact CG2-CG 4.25Å; V119-F474 HydrophobicContact CB-CD2 4.17Å; V119-F474 HydrophobicContact CB-CE1 4.38Å; V119-F474 HydrophobicContact CB-CE2 3.69Å; V119-F474 HydrophobicContact CB-CZ 3.79Å; V119-F474 HydrophobicContact CG1-CD1 3.97Å; V119-F474 HydrophobicContact CG1-CD2 3.76Å; V119-F474 HydrophobicContact CG1-CE1 3.94Å; V119-F474 HydrophobicContact CG1-CE2 3.74Å; V119-F474 HydrophobicContact CG1-CG 3.86Å; V119-F474 HydrophobicContact CG1-CZ 3.82Å; V119-F474 HydrophobicContact CG2-CD2 4.09Å; V119-F474 HydrophobicContact CG2-CE2 3.73Å; V119-F474 HydrophobicContact CG2-CZ 4.34Å
120E83.8Confident86.6Confident117 Ų11756.8 Ų56.855%0.54732%0.315SS..Hα-helixtrans-60.6-44.3175.2-72.7171.1172.500111.7P116 H117 M122 G123P116-E120 WeakPolarHBondContact O-CG 3.2Å; P116-E120 PolarHBondContact O-N 3.24Å; H117-E120 IonicContact CE1-OE2 2.8Å; H117-E120 IonicContact CG-OE2 3.35Å; H117-E120 IonicContact ND1-OE2 2.7Å; H117-E120 PolarHBondContact ND1-OE2 3.18Å; H117-E120 PolarHBondContact O-N 3.03Å; E120-M122 VanDerWaalsContact C-N 3.32Å; E120-M122 PolarHBondContact O-N 3.28Å; E120-G123 PolarHBondContact O-N 3.18Å
121K87.9Confident86.9Confident169 Ų16951.1 Ų51.174%0.73529%0.289SS*.Hα-helixtrans-61-39.9175.3-75.7170.8-170.3166.20112.4H117 D118 V119 G123H117-K121 WeakPolarHBondContact O-CB 3.06Å; H117-K121 VanDerWaalsContact O-CG 3.24Å; H117-K121 WeakPolarHBondContact O-CG 3.09Å; H117-K121 PolarHBondContact O-N 3.39Å; D118-K121 PolarHBondContact O-N 2.86Å; D118-K121 IonicContact OD1-NZ 3.53Å; V119-K121 PolarHBondContact O-N 3.4Å; K121-G123 VanDerWaalsContact C-N 3.33Å
122M91.8Very high87.2Confident63 Ų6350.4 Ų50.431%0.3128%0.281SS..Hα-helixtrans-76.3-24178.1-166.8175.973.100112.5L111 D118 V119 E120 C126 Y127L111-M122 HydrophobicContact CD1-CE 4.03Å; L111-M122 HydrophobicContact CD1-SD 4.07Å; D118-M122 WeakPolarHBondContact O-CB 3.49Å; D118-M122 PolarHBondContact O-N 2.95Å; V119-M122 PolarHBondContact O-N 2.93Å; E120-M122 VanDerWaalsContact C-N 3.32Å; E120-M122 PolarHBondContact O-N 3.28Å; M122-C126 HydrophobicContact CE-CB 4.29Å; M122-C126 HydrophobicContact CG-CB 4.01Å; M122-C126 WeakPolarHBondContact O-CB 3.36Å; M122-Y127 HydrophobicContact CE-CD2 3.68Å; M122-Y127 HydrophobicContact CE-CG 4.01Å; M122-Y127 VanDerWaalsContact CE-N 3.34Å
123G92.2Very high87.6Confident28 Ų2850.7 Ų50.729%0.28928%0.278SS..  trans87.1133.2-171.600000112.3V119 E120 K121 A125 C126 Y127V119-G123 CarbonylContact O-C 3.43Å; V119-G123 WeakPolarHBondContact O-CA 3.23Å; V119-G123 PolarHBondContact O-N 3.12Å; E120-G123 PolarHBondContact O-N 3.18Å; K121-G123 VanDerWaalsContact C-N 3.33Å; G123-A125 VanDerWaalsContact C-N 3.29Å; G123-A125 PolarHBondContact O-N 3.2Å; G123-C126 WeakPolarHBondContact O-CB 3.07Å; G123-C126 PolarHBondContact O-N 3.16Å; G123-Y127 PolarHBondContact O-N 3.46Å; G123-Y127 VanDerWaalsContact O-N 3.14Å
124V92.4Very high88Confident36 Ų3650.2 Ų50.222%0.21828%0.276CS..Hα-helixtrans-55.5-42.5-178.8178.70000111.8C126 Y127 N128 F474 K512 E513V124-C126 VanDerWaalsContact C-N 3.33Å; V124-C126 PolarHBondContact O-N 3.07Å; V124-Y127 PolarHBondContact O-N 2.98Å; V124-N128 WeakPolarHBondContact O-CB 3.47Å; V124-N128 PolarHBondContact O-N 2.82Å; V124-F474 HydrophobicContact CG1-CD1 4.37Å; V124-F474 HydrophobicContact CG2-CD1 3.93Å; V124-F474 HydrophobicContact CG2-CE1 4.22Å; V124-K512 HydrophobicContact CG1-CB 4.49Å; V124-K512 HydrophobicContact CG1-CD 4.43Å; V124-K512 HydrophobicContact CG1-CG 4.5Å; V124-E513 HydrophobicContact CG1-CB 4.42Å
125A94.3Very high88.8Confident46 Ų4646.6 Ų46.638%0.3825%0.254SS..Hα-helixtrans-61-39.7178.200000112.8G123 N129 E513G123-A125 VanDerWaalsContact C-N 3.29Å; G123-A125 PolarHBondContact O-N 3.2Å; A125-N129 WeakPolarHBondContact O-CB 3.35Å; A125-N129 PolarHBondContact O-N 3.38Å; A125-N129 PolarHBondContact O-ND2 3.45Å; A125-E513 HydrophobicContact CB-CB 4.01Å; A125-E513 HydrophobicContact CB-CG 4.06Å
126C94.5Very high89.6Confident56 Ų5650.8 Ų50.838%0.37827%0.272SS..Hα-helixtrans-66.6-40.8177.1-171.60000110.9M122 G123 V124 N129 K130M122-C126 HydrophobicContact CE-CB 4.29Å; M122-C126 HydrophobicContact CG-CB 4.01Å; M122-C126 WeakPolarHBondContact O-CB 3.36Å; G123-C126 WeakPolarHBondContact O-CB 3.07Å; G123-C126 PolarHBondContact O-N 3.16Å; V124-C126 VanDerWaalsContact C-N 3.33Å; V124-C126 PolarHBondContact O-N 3.07Å; C126-N129 PolarHBondContact O-N 3.04Å; C126-K130 WeakPolarHBondContact O-CG 3.21Å; C126-K130 PolarHBondContact O-N 3.19Å
127Y94.6Very high90.2Very high1 Ų154.6 Ų54.60%0.00428%0.284CS..Hα-helixtrans-66.3-47.4179.2-175.2-95.4000112.2E104 V107 D108 I113 V119 M122 G123 V124 N129 K130 C131 F474E104-Y127 WeakPolarHBondContact CB-OH 3.28Å; E104-Y127 HydrophobicContact CG-CE1 3.99Å; E104-Y127 PolarHBondContact O-OH 3.47Å; V107-Y127 HydrophobicContact CG1-CD2 4.35Å; V107-Y127 HydrophobicContact CG1-CE2 3.95Å; D108-Y127 WeakPolarHBondContact OD1-CE2 3.14Å; D108-Y127 PolarHBondContact OD1-OH 3.48Å; I113-Y127 HydrophobicContact CG1-CE2 4.22Å; V119-Y127 HydrophobicContact CB-CD2 4.44Å; V119-Y127 HydrophobicContact CG1-CD1 4.05Å; V119-Y127 HydrophobicContact CG1-CD2 4.01Å; V119-Y127 HydrophobicContact CG1-CG 3.66Å; V119-Y127 HydrophobicContact CG2-CD2 3.78Å; V119-Y127 HydrophobicContact CG2-CE2 3.78Å; V119-Y127 HydrophobicContact CG2-CG 4.25Å; M122-Y127 HydrophobicContact CE-CD2 3.68Å; M122-Y127 HydrophobicContact CE-CG 4.01Å; M122-Y127 VanDerWaalsContact CE-N 3.34Å; G123-Y127 PolarHBondContact O-N 3.46Å; G123-Y127 VanDerWaalsContact O-N 3.14Å; V124-Y127 PolarHBondContact O-N 2.98Å; Y127-N129 VanDerWaalsContact C-N 3.31Å; Y127-N129 PolarHBondContact O-N 3.42Å; Y127-K130 WeakPolarHBondContact O-CB 3.5Å; Y127-K130 PolarHBondContact O-N 2.96Å; Y127-C131 PolarHBondContact O-N 3.5Å; Y127-C131 PolarHBondContact O-SG 2.96Å; Y127-C131 VanDerWaalsContact O-SG 3.35Å; Y127-F474 HydrophobicContact CD1-CB 4.03Å; Y127-F474 HydrophobicContact CE1-CB 4.14Å; Y127-F474 HydrophobicContact CE1-CD2 4.38Å
128N94.9Very high90.5Very high0 Ų051.5 Ų51.50%027%0.269CS..Hα-helixtrans-64.8-35.9178.7-754.5000111.5V124 K130 C131 R132 F474 W475 E513V124-N128 WeakPolarHBondContact O-CB 3.47Å; V124-N128 PolarHBondContact O-N 2.82Å; N128-K130 VanDerWaalsContact C-N 3.32Å; N128-K130 PolarHBondContact O-N 2.79Å; N128-C131 WeakPolarHBondContact O-CB 3.43Å; N128-C131 PolarHBondContact O-N 2.93Å; N128-R132 WeakPolarHBondContact O-CB 3.27Å; N128-R132 PolarHBondContact O-N 3.41Å; N128-F474 PolarHBondContact ND2-O 3.39Å; N128-W475 HydrophobicContact CB-CE3 3.54Å; N128-W475 HydrophobicContact CB-CZ3 3.75Å; N128-E513 WeakPolarHBondContact CB-OE1 3.37Å; N128-E513 PolarHBondContact ND2-OE2 2.68Å
129N94.9Very high90.7Very high88 Ų8850.1 Ų50.147%0.47126%0.262SS..Hα-helixtrans-63.3-34.6171.7-78.5-31.2000113.4A125 C126 Y127 R132 A133A125-N129 WeakPolarHBondContact O-CB 3.35Å; A125-N129 PolarHBondContact O-N 3.38Å; A125-N129 PolarHBondContact O-ND2 3.45Å; C126-N129 PolarHBondContact O-N 3.04Å; Y127-N129 VanDerWaalsContact C-N 3.31Å; Y127-N129 PolarHBondContact O-N 3.42Å; N129-R132 PolarHBondContact O-N 2.86Å; N129-R132 PolarHBondContact OD1-NH1 3.43Å; N129-A133 WeakPolarHBondContact O-CB 3.29Å; N129-A133 PolarHBondContact O-N 2.94Å
130K93.9Very high90.9Very high98 Ų9852.5 Ų52.543%0.42628%0.279SS..Hα-helixtrans-69.2-40.9173.4-69.3-72.3-176.8176.80111.9V107 L111 C126 Y127 N128 A133 I134V107-K130 HydrophobicContact CG1-CB 3.97Å; L111-K130 HydrophobicContact CD1-CB 4.36Å; L111-K130 HydrophobicContact CD1-CG 4.16Å; C126-K130 WeakPolarHBondContact O-CG 3.21Å; C126-K130 PolarHBondContact O-N 3.19Å; Y127-K130 WeakPolarHBondContact O-CB 3.5Å; Y127-K130 PolarHBondContact O-N 2.96Å; N128-K130 VanDerWaalsContact C-N 3.32Å; N128-K130 PolarHBondContact O-N 2.79Å; K130-A133 PolarHBondContact O-N 3.42Å; K130-I134 PolarHBondContact O-N 2.95Å; K130-I134 VanDerWaalsContact O-N 3.09Å
131C92.1Very high91.1Very high0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-60.8-43.6172.5-60.80000111.8V103 V107 Y127 N128 A133 I134 V135 W475V103-C131 HydrophobicContact CG1-CB 4.05Å; V107-C131 HydrophobicContact CG2-CB 4.44Å; Y127-C131 PolarHBondContact O-N 3.5Å; Y127-C131 PolarHBondContact O-SG 2.96Å; Y127-C131 VanDerWaalsContact O-SG 3.35Å; N128-C131 WeakPolarHBondContact O-CB 3.43Å; N128-C131 PolarHBondContact O-N 2.93Å; C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.06Å; C131-I134 WeakPolarHBondContact O-CG2 3.37Å; C131-I134 PolarHBondContact O-N 3.16Å; C131-V135 WeakPolarHBondContact O-CG2 3.07Å; C131-V135 PolarHBondContact O-N 3.31Å; C131-W475 HydrophobicContact CB-CB 4.16Å; C131-W475 HydrophobicContact CB-CD2 3.47Å; C131-W475 VanDerWaalsContact CB-CD2 3.47Å; C131-W475 HydrophobicContact CB-CE3 4.11Å; C131-W475 HydrophobicContact CB-CG 3.47Å; C131-W475 VanDerWaalsContact CB-CG 3.47Å; C131-W475 HydrophobicContact CB-CZ2 4.33Å
132R93.5Very high91.4Very high50 Ų5042.6 Ų42.619%0.18923%0.234CC..Hα-helixtrans-60.9-41.9174.8-166.6177.2-76.8111.3-5.6112.1N128 N129 M136 M162 W475 D509 H511N128-R132 WeakPolarHBondContact O-CB 3.27Å; N128-R132 PolarHBondContact O-N 3.41Å; N129-R132 PolarHBondContact O-N 2.86Å; N129-R132 PolarHBondContact OD1-NH1 3.43Å; R132-M136 WeakPolarHBondContact O-CG 3.49Å; R132-M136 PolarHBondContact O-N 2.85Å; R132-M162 HydrophobicContact CG-CE 4.42Å; R132-M162 HydrophobicContact CG-SD 4.02Å; R132-W475 HydrophobicContact CB-CH2 3.82Å; R132-W475 HydrophobicContact CB-CZ2 4.17Å; R132-W475 HydrophobicContact CG-CH2 4.29Å; R132-D509 IonicContact NH2-OD2 3.86Å; R132-D509 PolarHBondContact NH2-OD2 3.39Å; R132-D509 VanDerWaalsContact NH2-OD2 3.16Å; R132-H511 PolarHBondContact NH2-ND1 2.8Å
133A92.7Very high91.4Very high58 Ų5843.5 Ų43.548%0.47924%0.238SC..Hα-helixtrans-65.6-39.7-179.800000113.4N129 K130 C131 M136 R137N129-A133 WeakPolarHBondContact O-CB 3.29Å; N129-A133 PolarHBondContact O-N 2.94Å; K130-A133 PolarHBondContact O-N 3.42Å; C131-A133 VanDerWaalsContact C-N 3.34Å; C131-A133 PolarHBondContact O-N 3.06Å; A133-M136 PolarHBondContact O-N 3Å; A133-R137 PolarHBondContact O-N 3.2Å; A133-R137 VanDerWaalsContact O-N 3.14Å
134I88.3Confident91.4Very high8 Ų849.5 Ų49.54%0.04126%0.256CS..Hα-helixtrans-67.4-38.2-179-152.7179000111.8V103 E106 V107 K130 C131 R137 Y138V103-I134 HydrophobicContact CG1-CG2 3.67Å; E106-I134 HydrophobicContact CB-CD1 3.72Å; V107-I134 HydrophobicContact CG2-CB 4.41Å; V107-I134 HydrophobicContact CG2-CD1 4.37Å; V107-I134 HydrophobicContact CG2-CG2 3.96Å; K130-I134 PolarHBondContact O-N 2.95Å; K130-I134 VanDerWaalsContact O-N 3.09Å; C131-I134 WeakPolarHBondContact O-CG2 3.37Å; C131-I134 PolarHBondContact O-N 3.16Å; I134-R137 WeakPolarHBondContact O-CB 3.2Å; I134-R137 PolarHBondContact O-N 2.89Å; I134-Y138 HydrophobicContact CD1-CE2 3.83Å; I134-Y138 HydrophobicContact CG1-CD2 3.95Å; I134-Y138 HydrophobicContact CG1-CE2 3.59Å; I134-Y138 VanDerWaalsContact O-CD2 3.3Å; I134-Y138 WeakPolarHBondContact O-CD2 3.36Å; I134-Y138 PolarHBondContact O-N 3.23Å; I134-Y138 VanDerWaalsContact O-N 3.13Å
135V87.8Confident91.5Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-60-48.6175.71670000110.8A61 C98 V103 C131 R137 Y138 S139 M162A61-V135 HydrophobicContact CB-CB 4.13Å; A61-V135 HydrophobicContact CB-CG1 3.8Å; A61-V135 HydrophobicContact CB-CG2 4.16Å; C98-V135 HydrophobicContact CB-CG1 4.01Å; C98-V135 HydrophobicContact CB-CG2 4.29Å; C98-V135 VanDerWaalsContact SG-CG1 3.53Å; V103-V135 HydrophobicContact CG1-CG2 3.92Å; V103-V135 HydrophobicContact CG2-CG2 4.12Å; C131-V135 WeakPolarHBondContact O-CG2 3.07Å; C131-V135 PolarHBondContact O-N 3.31Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 2.9Å; V135-Y138 PolarHBondContact O-N 2.83Å; V135-S139 PolarHBondContact O-N 3.12Å; V135-S139 PolarHBondContact O-OG 3.45Å; V135-M162 HydrophobicContact CG1-CE 4.32Å; V135-M162 HydrophobicContact CG1-SD 4.37Å
136M88.5Confident91.5Very high96 Ų9646.5 Ų46.547%0.47323%0.233SC..Hα-helixtrans-61.5-43.2179.4-66.5-57.1-74.500111.5R132 A133 Y138 S139 S140 M162R132-M136 WeakPolarHBondContact O-CG 3.49Å; R132-M136 PolarHBondContact O-N 2.85Å; A133-M136 PolarHBondContact O-N 3Å; M136-Y138 PolarHBondContact O-N 2.91Å; M136-S139 PolarHBondContact O-N 3.27Å; M136-S139 PolarHBondContact O-OG 3Å; M136-S140 PolarHBondContact O-N 3.08Å; M136-M162 HydrophobicContact SD-CE 3.9Å
137R88.1Confident91.5Very high103 Ų10347 Ų4739%0.38923%0.232SC..Hα-helixtrans-55.3-53.5176.3-176.7177.674.8-165.71.1111.6E110 A133 I134 V135 S140 Q141E110-R137 IonicContact OE2-NH1 3.66Å; A133-R137 PolarHBondContact O-N 3.2Å; A133-R137 VanDerWaalsContact O-N 3.14Å; I134-R137 WeakPolarHBondContact O-CB 3.2Å; I134-R137 PolarHBondContact O-N 2.89Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 2.9Å; R137-S140 PolarHBondContact O-N 3.26Å; R137-S140 PolarHBondContact O-OG 3.2Å; R137-Q141 PolarHBondContact O-N 3.01Å
138Y86.5Confident91.5Very high26 Ų2648.3 Ų48.310%0.10224%0.237CC..Hα-helixtrans-69.9-35.1-176.6-72.5-56.7000112.9A61 T62 I134 V135 M136 S140 Q141 W142A61-Y138 VanDerWaalsContact O-CD2 3.24Å; A61-Y138 WeakPolarHBondContact O-CD2 3.47Å; T62-Y138 VanDerWaalsContact C-CD2 3.47Å; T62-Y138 WeakPolarHBondContact O-CE2 3.4Å; I134-Y138 HydrophobicContact CD1-CE2 3.83Å; I134-Y138 HydrophobicContact CG1-CD2 3.95Å; I134-Y138 HydrophobicContact CG1-CE2 3.59Å; I134-Y138 VanDerWaalsContact O-CD2 3.3Å; I134-Y138 WeakPolarHBondContact O-CD2 3.36Å; I134-Y138 PolarHBondContact O-N 3.23Å; I134-Y138 VanDerWaalsContact O-N 3.13Å; V135-Y138 PolarHBondContact O-N 2.83Å; M136-Y138 PolarHBondContact O-N 2.91Å; Y138-S140 VanDerWaalsContact C-N 3.33Å; Y138-S140 PolarHBondContact O-N 2.86Å; Y138-Q141 PolarHBondContact O-N 3.11Å; Y138-Q141 VanDerWaalsContact O-N 3.09Å; Y138-W142 VanDerWaalsContact O-CD1 3.29Å; Y138-W142 PolarHBondContact O-N 3.21Å
139S87.5Confident91.5Very high8 Ų848.4 Ų48.46%0.05624%0.238CC..Hα-helixtrans-59.6-41.7177.166.90000113W96 V135 M136 Q141 W142 E143 R160W96-S139 VanDerWaalsContact CZ2-CB 3.48Å; V135-S139 PolarHBondContact O-N 3.12Å; V135-S139 PolarHBondContact O-OG 3.45Å; M136-S139 PolarHBondContact O-N 3.27Å; M136-S139 PolarHBondContact O-OG 3Å; S139-Q141 VanDerWaalsContact C-N 3.28Å; S139-Q141 PolarHBondContact O-N 2.69Å; S139-W142 PolarHBondContact O-N 3.48Å; S139-E143 PolarHBondContact O-N 3.21Å; S139-R160 VanDerWaalsContact CB-NH1 3.31Å; S139-R160 PolarHBondContact OG-NH1 2.79Å; S139-R160 PolarHBondContact OG-NH2 2.98Å
140S88.4Confident91.6Very high52 Ų5244.3 Ų44.336%0.36422%0.216SC..Hα-helixtrans-64.1-30.9175.874.50000113.5M136 R137 Y138M136-S140 PolarHBondContact O-N 3.08Å; R137-S140 PolarHBondContact O-N 3.26Å; R137-S140 PolarHBondContact O-OG 3.2Å; Y138-S140 VanDerWaalsContact C-N 3.33Å; Y138-S140 PolarHBondContact O-N 2.86Å
141Q89.4Confident91.8Very high67 Ų6740.3 Ų40.331%0.31320%0.198SC..Hα-helixtrans-76.4-40178-67.5180-1900111.1L64 R137 Y138 S139 K144 V145L64-Q141 HydrophobicContact CD2-CB 3.59Å; L64-Q141 HydrophobicContact CD2-CG 4.24Å; R137-Q141 PolarHBondContact O-N 3.01Å; Y138-Q141 PolarHBondContact O-N 3.11Å; Y138-Q141 VanDerWaalsContact O-N 3.09Å; S139-Q141 VanDerWaalsContact C-N 3.28Å; S139-Q141 PolarHBondContact O-N 2.69Å; Q141-K144 PolarHBondContact O-N 3.26Å; Q141-V145 PolarHBondContact O-N 3.42Å
142W92.7Very high92Very high11 Ų1141.3 Ų41.34%0.04220%0.202CC..Hα-helixtrans-63.9-39.3175.3-90.975.2000113.2P59 G63 P65 H69 F94 W96 Y138 S139 K144 V145 T146P59-W142 HydrophobicContact CB-CH2 3.5Å; P59-W142 VanDerWaalsContact CB-CH2 3.5Å; P59-W142 HydrophobicContact CB-CZ2 3.99Å; P59-W142 HydrophobicContact CB-CZ3 4.02Å; P59-W142 HydrophobicContact CG-CE3 4.35Å; P59-W142 HydrophobicContact CG-CH2 3.81Å; P59-W142 HydrophobicContact CG-CZ2 4.43Å; P59-W142 HydrophobicContact CG-CZ3 3.78Å; G63-W142 VanDerWaalsContact O-CD1 3.27Å; G63-W142 PolarHBondContact O-NE1 2.89Å; P65-W142 HydrophobicContact CB-CD2 4.03Å; P65-W142 HydrophobicContact CB-CE3 4.09Å; P65-W142 HydrophobicContact CB-CH2 4.08Å; P65-W142 HydrophobicContact CB-CZ2 3.98Å; P65-W142 HydrophobicContact CB-CZ3 4.12Å; P65-W142 HydrophobicContact CG-CD2 4.14Å; P65-W142 HydrophobicContact CG-CE3 4.47Å; P65-W142 HydrophobicContact CG-CG 4.4Å; H69-W142 HydrophobicContact CB-CH2 3.58Å; H69-W142 HydrophobicContact CB-CZ2 4.43Å; H69-W142 HydrophobicContact CB-CZ3 4.01Å; H69-W142 AromaticContact CD2-CH2 3.64Å; H69-W142 AromaticContact CE1-CZ2 3.88Å; H69-W142 AromaticContact CG-CH2 3.34Å; H69-W142 AromaticContact CG-CZ2 3.9Å; H69-W142 AromaticContact ND1-CH2 3.6Å; H69-W142 AromaticContact ND1-CZ2 3.64Å; F94-W142 AromaticContact CZ-CE3 3.89Å; F94-W142 HydrophobicContact CZ-CE3 3.89Å; F94-W142 HydrophobicContact CZ-CZ3 4.19Å; W96-W142 HydrophobicContact CH2-CB 3.42Å; W96-W142 VanDerWaalsContact CH2-CB 3.42Å; W96-W142 AromaticContact CH2-CD2 3.87Å; W96-W142 HydrophobicContact CH2-CD2 3.87Å; W96-W142 HydrophobicContact CH2-CE3 4.27Å; W96-W142 AromaticContact CH2-CG 3.53Å; W96-W142 HydrophobicContact CH2-CG 3.53Å; W96-W142 HydrophobicContact CZ2-CB 4.06Å; W96-W142 HydrophobicContact CZ3-CB 4.45Å; W96-W142 HydrophobicContact CZ3-CD2 4.22Å; W96-W142 HydrophobicContact CZ3-CG 4.14Å; Y138-W142 VanDerWaalsContact O-CD1 3.29Å; Y138-W142 PolarHBondContact O-N 3.21Å; S139-W142 PolarHBondContact O-N 3.48Å; W142-K144 VanDerWaalsContact C-N 3.28Å; W142-K144 PolarHBondContact O-N 2.88Å; W142-V145 PolarHBondContact O-N 3.22Å; W142-T146 VanDerWaalsContact O-CB 3.23Å; W142-T146 WeakPolarHBondContact O-CB 3.47Å; W142-T146 PolarHBondContact O-N 3.41Å; W142-T146 PolarHBondContact O-OG1 2.89Å
143E93Very high92.1Very high81 Ų8139.3 Ų39.338%0.37920%0.195SC..Hα-helixtrans-55.2-47.6175.7-178.5-175.8175.800110.5S139 V145 T146 N147 F155S139-E143 PolarHBondContact O-N 3.21Å; E143-V145 PolarHBondContact O-N 2.88Å; E143-T146 PolarHBondContact O-N 3.45Å; E143-N147 VanDerWaalsContact O-CB 3.3Å; E143-N147 WeakPolarHBondContact O-CB 3.49Å; E143-N147 VanDerWaalsContact O-CG 3.28Å; E143-N147 PolarHBondContact O-N 3.1Å; E143-N147 PolarHBondContact O-ND2 2.73Å; E143-F155 HydrophobicContact CB-CD1 4.07Å; E143-F155 HydrophobicContact CB-CD2 4.4Å; E143-F155 HydrophobicContact CB-CE1 4.11Å; E143-F155 HydrophobicContact CB-CE2 4.42Å; E143-F155 HydrophobicContact CB-CG 4.23Å; E143-F155 HydrophobicContact CB-CZ 4.28Å; E143-F155 HydrophobicContact CG-CB 4.26Å; E143-F155 HydrophobicContact CG-CD1 4.22Å; E143-F155 HydrophobicContact CG-CD2 3.84Å; E143-F155 HydrophobicContact CG-CE2 4.18Å; E143-F155 HydrophobicContact CG-CG 3.85Å
144K92Very high92.1Very high154 Ų15438.1 Ų38.167%0.6718%0.18SC*.Hα-helixtrans-58.2-47.6177.6-66.9176.7-177-179.20112.4Q141 W142 R148Q141-K144 PolarHBondContact O-N 3.26Å; W142-K144 VanDerWaalsContact C-N 3.28Å; W142-K144 PolarHBondContact O-N 2.88Å; K144-R148 WeakPolarHBondContact O-CB 3.42Å; K144-R148 PolarHBondContact O-N 2.7Å
145V93.5Very high92.3Very high12 Ų1238.9 Ų38.97%0.07318%0.183CC..Hα-helixtrans-69-39.2-179.4-176.90000111.4P65 L70 Q141 W142 E143 R148 L149 V624P65-V145 HydrophobicContact CG-CB 3.71Å; P65-V145 HydrophobicContact CG-CG1 3.64Å; P65-V145 HydrophobicContact CG-CG2 3.94Å; L70-V145 HydrophobicContact CD2-CG1 4.03Å; Q141-V145 PolarHBondContact O-N 3.42Å; W142-V145 PolarHBondContact O-N 3.22Å; E143-V145 PolarHBondContact O-N 2.88Å; V145-R148 PolarHBondContact O-N 3.1Å; V145-L149 PolarHBondContact O-N 2.88Å; V145-V624 HydrophobicContact CG1-CG2 4.31Å; V145-V624 HydrophobicContact CG2-CG2 3.73Å
146T94.7Very high92.5Very high8 Ų846.1 Ų46.15%0.04922%0.217CC..Hα-helixtrans-66.3-44.8-180-580000111.3W142 E143 R148 L149 G150 R151 I153 F155W142-T146 VanDerWaalsContact O-CB 3.23Å; W142-T146 WeakPolarHBondContact O-CB 3.47Å; W142-T146 PolarHBondContact O-N 3.41Å; W142-T146 PolarHBondContact O-OG1 2.89Å; E143-T146 PolarHBondContact O-N 3.45Å; T146-R148 VanDerWaalsContact C-N 3.35Å; T146-L149 WeakPolarHBondContact O-CB 3.48Å; T146-L149 PolarHBondContact O-N 2.97Å; T146-G150 PolarHBondContact O-N 3.36Å; T146-R151 HydrophobicContact CG2-CB 3.73Å; T146-R151 HydrophobicContact CG2-CG 3.89Å; T146-R151 PolarHBondContact O-N 2.77Å; T146-I153 HydrophobicContact CG2-CG2 3.96Å; T146-F155 HydrophobicContact CG2-CE2 3.76Å; T146-F155 HydrophobicContact CG2-CZ 3.78Å
147N93.8Very high92.6Very high66 Ų6645.3 Ų45.335%0.35322%0.215SC..Hα-helixtrans-62.2-43.2174-74-19.8000110.9L30 E143 L149 G150L30-N147 WeakPolarHBondContact CD2-O 3.47Å; E143-N147 VanDerWaalsContact O-CB 3.3Å; E143-N147 WeakPolarHBondContact O-CB 3.49Å; E143-N147 VanDerWaalsContact O-CG 3.28Å; E143-N147 PolarHBondContact O-N 3.1Å; E143-N147 PolarHBondContact O-ND2 2.73Å; N147-L149 VanDerWaalsContact C-N 3.28Å; N147-L149 PolarHBondContact O-N 3.15Å; N147-G150 PolarHBondContact O-N 3.39Å
148R95.4Very high92.9Very high28 Ų2840.8 Ų40.811%0.10620%0.198CC..Hα-helixtrans-63.8-31.8177.5-176.361-167.990.8-7.1113E26 K144 V145 T146 G150 I627 A632E26-R148 IonicContact OE2-CZ 2.9Å; E26-R148 VanDerWaalsContact OE2-CZ 3.25Å; E26-R148 IonicContact OE2-NH1 3.72Å; E26-R148 PolarHBondContact OE2-NH1 2.76Å; E26-R148 IonicContact OE2-NH2 3.12Å; E26-R148 PolarHBondContact OE2-NH2 2.65Å; K144-R148 WeakPolarHBondContact O-CB 3.42Å; K144-R148 PolarHBondContact O-N 2.7Å; V145-R148 PolarHBondContact O-N 3.1Å; T146-R148 VanDerWaalsContact C-N 3.35Å; R148-G150 PolarHBondContact O-N 2.87Å; R148-I627 HydrophobicContact CG-CG2 3.72Å; R148-A632 WeakPolarHBondContact O-CB 3.3Å
149L95.8Very high93.3Very high3 Ų339.6 Ų39.62%0.01619%0.194CC..THydrogen-bonded Turntrans-71.7-12.9172.8-168.970.4000113L70 V145 T146 N147 I627 A632 L635 R636L70-L149 HydrophobicContact CB-CD2 4.14Å; L70-L149 HydrophobicContact CD2-CD2 4.02Å; V145-L149 PolarHBondContact O-N 2.88Å; T146-L149 WeakPolarHBondContact O-CB 3.48Å; T146-L149 PolarHBondContact O-N 2.97Å; N147-L149 VanDerWaalsContact C-N 3.28Å; N147-L149 PolarHBondContact O-N 3.15Å; L149-I627 HydrophobicContact CD1-CD1 4.32Å; L149-A632 HydrophobicContact CD1-CB 4.5Å; L149-L635 HydrophobicContact CD1-CD2 4.43Å; L149-R636 HydrophobicContact CD1-CG 3.94Å; L149-R636 HydrophobicContact CG-CG 4.34Å; L149-R636 PolarHBondContact O-NH1 2.85Å
150G96.1Very high93.7Very high1 Ų139.9 Ų39.91%0.0119%0.194CC..THydrogen-bonded Turntrans76.720.1-177.300000114.1R81 T146 N147 R148 W152R81-G150 PolarHBondContact NH2-O 3.07Å; T146-G150 PolarHBondContact O-N 3.36Å; N147-G150 PolarHBondContact O-N 3.39Å; R148-G150 PolarHBondContact O-N 2.87Å; G150-W152 PolarHBondContact O-N 3.26Å
151R97.1Very high94Very high14 Ų1437.4 Ų37.45%0.05318%0.176CC..  trans-76.7116.6173.4171.3176-173.3-147.11.3109.4D56 D77 F94 T146 I153D56-R151 IonicContact OD1-CZ 2.8Å; D56-R151 IonicContact OD1-NH2 3.32Å; D56-R151 PolarHBondContact OD1-NH2 2.96Å; D56-R151 IonicContact OD2-CZ 3.04Å; D56-R151 IonicContact OD2-NH1 3.7Å; D56-R151 IonicContact OD2-NH2 3.92Å; D56-R151 PolarHBondContact OD2-NH2 2.96Å; D77-R151 HydrophobicContact CB-CB 4.33Å; D77-R151 HydrophobicContact CB-CG 4.11Å; D77-R151 WeakPolarHBondContact OD1-CA 3.34Å; F94-R151 VanDerWaalsContact CE2-NH1 3.28Å; T146-R151 HydrophobicContact CG2-CB 3.73Å; T146-R151 HydrophobicContact CG2-CG 3.89Å; T146-R151 PolarHBondContact O-N 2.77Å; R151-I153 HydrophobicContact CG-CB 4.4Å; R151-I153 HydrophobicContact CG-CG2 4.06Å; R151-I153 PolarHBondContact O-N 2.89Å
152W96.6Very high94.3Very high21 Ų2135 Ų358%0.0817%0.165CC..  trans-84.8105.7176.5-78.90.2000110.9W33 T38 F39 D77 R81 R92 G150 H830W33-W152 AromaticContact CD2-CZ2 4Å; W33-W152 HydrophobicContact CD2-CZ2 4Å; W33-W152 HydrophobicContact CE3-CZ2 4.31Å; W33-W152 AromaticContact CE3-NE1 3.48Å; W33-W152 HydrophobicContact CG-CZ2 4.31Å; W33-W152 AromaticContact CZ3-NE1 3.76Å; T38-W152 HydrophobicContact CG2-CH2 3.52Å; T38-W152 HydrophobicContact CG2-CZ2 3.72Å; F39-W152 HydrophobicContact CB-CB 4.49Å; F39-W152 HydrophobicContact CB-CD2 3.83Å; F39-W152 HydrophobicContact CB-CE3 4.14Å; F39-W152 HydrophobicContact CB-CG 3.98Å; F39-W152 HydrophobicContact CD1-CB 4.47Å; F39-W152 HydrophobicContact CD2-CB 3.69Å; F39-W152 AromaticContact CD2-CD2 3.93Å; F39-W152 HydrophobicContact CD2-CD2 3.93Å; F39-W152 AromaticContact CD2-CE3 3.71Å; F39-W152 HydrophobicContact CD2-CE3 3.71Å; F39-W152 AromaticContact CD2-CG 3.96Å; F39-W152 HydrophobicContact CD2-CG 3.96Å; F39-W152 HydrophobicContact CE2-CB 4.01Å; F39-W152 HydrophobicContact CG-CB 3.96Å; F39-W152 HydrophobicContact CG-CD2 4.12Å; F39-W152 HydrophobicContact CG-CE3 4.29Å; F39-W152 AromaticContact CG-CG 3.98Å; F39-W152 HydrophobicContact CG-CG 3.98Å; D77-W152 PolarHBondContact OD1-N 3.24Å; R81-W152 VanDerWaalsContact NH1-CD2 3.25Å; R81-W152 VanDerWaalsContact NH2-CE2 3.32Å; R92-W152 VanDerWaalsContact CD-O 3.23Å; R92-W152 WeakPolarHBondContact CD-O 3.46Å; G150-W152 PolarHBondContact O-N 3.26Å; W152-H830 HydrophobicContact CH2-CB 3.29Å; W152-H830 AromaticContact CH2-CD2 3.79Å; W152-H830 AromaticContact CH2-CG 3.51Å; W152-H830 HydrophobicContact CZ2-CB 4.28Å; W152-H830 AromaticContact CZ2-CD2 3.94Å; W152-H830 HydrophobicContact CZ3-CB 3.74Å
153I95.5Very high94.5Very high8 Ų837.6 Ų37.64%0.04118%0.175CC..  trans-150.6144.5178.1-167.5158.1000109.6F54 D56 R92 F94 T146 R151 F155F54-I153 HydrophobicContact CE1-CD1 4.47Å; D56-I153 HydrophobicContact CB-CD1 4.41Å; D56-I153 VanDerWaalsContact OD2-CD1 3.29Å; D56-I153 WeakPolarHBondContact OD2-CD1 3.27Å; R92-I153 HydrophobicContact CB-CG1 4.23Å; R92-I153 WeakPolarHBondContact O-CG1 3.44Å; F94-I153 HydrophobicContact CB-CD1 4.09Å; F94-I153 HydrophobicContact CB-CG1 4Å; F94-I153 HydrophobicContact CD2-CD1 3.85Å; F94-I153 HydrophobicContact CD2-CG1 4.22Å; F94-I153 HydrophobicContact CD2-CG2 3.74Å; F94-I153 HydrophobicContact CG-CD1 4.34Å; T146-I153 HydrophobicContact CG2-CG2 3.96Å; R151-I153 HydrophobicContact CG-CB 4.4Å; R151-I153 HydrophobicContact CG-CG2 4.06Å; R151-I153 PolarHBondContact O-N 2.89Å; I153-F155 HydrophobicContact CG2-CD2 4.14Å; I153-F155 HydrophobicContact CG2-CE2 3.58Å; I153-F155 HydrophobicContact CG2-CZ 4.12Å; I153-F155 PolarHBondContact O-N 2.92Å
154D94.5Very high94.6Very high33 Ų3335.7 Ų35.718%0.17617%0.17CC..EExtended strand (participates in β ladder)trans-81.3114.3-175.7-164.4-17.3000110.7F39 R92 F94 E156 N157F39-D154 HydrophobicContact CE1-CB 4.26Å; R92-D154 VanDerWaalsContact O-CB 3.26Å; R92-D154 WeakPolarHBondContact O-CB 3.45Å; R92-D154 PolarHBondContact O-N 3.44Å; F94-D154 WeakPolarHBondContact CB-O 3.36Å; F94-D154 PolarHBondContact N-O 2.82Å; D154-E156 WeakPolarHBondContact OD1-CA 3.42Å; D154-E156 WeakPolarHBondContact OD1-CB 3.4Å; D154-E156 PolarHBondContact OD1-N 3.14Å; D154-N157 PolarHBondContact OD1-N 2.75Å; D154-N157 WeakPolarHBondContact OD2-CB 3.21Å
155F92Very high94.9Very high25 Ų2531.8 Ų31.811%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-95.3-15.1172.5-76.5-83.6000112.7F94 W96 E143 T146 I153F94-F155 HydrophobicContact CB-CD1 4.1Å; F94-F155 HydrophobicContact CB-CE1 4.11Å; F94-F155 HydrophobicContact CD1-CD1 4.4Å; F94-F155 AromaticContact CD1-CE1 3.89Å; F94-F155 HydrophobicContact CD1-CE1 3.89Å; F94-F155 HydrophobicContact CD2-CD1 4.26Å; F94-F155 AromaticContact CD2-CE1 3.44Å; F94-F155 HydrophobicContact CD2-CE1 3.44Å; F94-F155 VanDerWaalsContact CD2-CE1 3.44Å; F94-F155 HydrophobicContact CD2-CE2 4.13Å; F94-F155 AromaticContact CD2-CZ 3.36Å; F94-F155 HydrophobicContact CD2-CZ 3.36Å; F94-F155 HydrophobicContact CE1-CE1 4.17Å; F94-F155 AromaticContact CE2-CE1 3.71Å; F94-F155 HydrophobicContact CE2-CE1 3.71Å; F94-F155 AromaticContact CE2-CZ 3.54Å; F94-F155 HydrophobicContact CE2-CZ 3.54Å; F94-F155 HydrophobicContact CG-CD1 4.01Å; F94-F155 AromaticContact CG-CE1 3.54Å; F94-F155 HydrophobicContact CG-CE1 3.54Å; F94-F155 AromaticContact CG-CZ 3.96Å; F94-F155 HydrophobicContact CG-CZ 3.96Å; F94-F155 HydrophobicContact CZ-CE1 4.09Å; F94-F155 HydrophobicContact CZ-CZ 4.28Å; W96-F155 HydrophobicContact CZ2-CD1 4.47Å; W96-F155 AromaticContact CZ2-CE1 3.96Å; W96-F155 HydrophobicContact CZ2-CE1 3.96Å; E143-F155 HydrophobicContact CB-CD1 4.07Å; E143-F155 HydrophobicContact CB-CD2 4.4Å; E143-F155 HydrophobicContact CB-CE1 4.11Å; E143-F155 HydrophobicContact CB-CE2 4.42Å; E143-F155 HydrophobicContact CB-CG 4.23Å; E143-F155 HydrophobicContact CB-CZ 4.28Å; E143-F155 HydrophobicContact CG-CB 4.26Å; E143-F155 HydrophobicContact CG-CD1 4.22Å; E143-F155 HydrophobicContact CG-CD2 3.84Å; E143-F155 HydrophobicContact CG-CE2 4.18Å; E143-F155 HydrophobicContact CG-CG 3.85Å; T146-F155 HydrophobicContact CG2-CE2 3.76Å; T146-F155 HydrophobicContact CG2-CZ 3.78Å; I153-F155 HydrophobicContact CG2-CD2 4.14Å; I153-F155 HydrophobicContact CG2-CE2 3.58Å; I153-F155 HydrophobicContact CG2-CZ 4.12Å; I153-F155 PolarHBondContact O-N 2.92Å
156E90.4Very high95.1Very high151 Ų15131.2 Ų31.271%0.70615%0.147SC*.EExtended strand (participates in β ladder)trans-79-46.7178.1-66.8174.1-164.800110.1K40 D154 D158K40-E156 VanDerWaalsContact NZ-CD 3.29Å; K40-E156 IonicContact NZ-OE1 3.75Å; K40-E156 PolarHBondContact NZ-OE1 3.42Å; K40-E156 VanDerWaalsContact NZ-OE1 3.15Å; K40-E156 IonicContact NZ-OE2 2.76Å; K40-E156 PolarHBondContact NZ-OE2 3.38Å; D154-E156 WeakPolarHBondContact OD1-CA 3.42Å; D154-E156 WeakPolarHBondContact OD1-CB 3.4Å; D154-E156 PolarHBondContact OD1-N 3.14Å; E156-D158 VanDerWaalsContact C-N 3.32Å; E156-D158 PolarHBondContact O-N 3.42Å
157N91.7Very high95.2Very high80 Ų8030.8 Ų30.843%0.42815%0.145SC..EExtended strand (participates in β ladder)trans-97.147.8173-16927.6000111R93 D154R93-N157 PolarHBondContact NE-ND2 2.97Å; R93-N157 PolarHBondContact NE-O 2.87Å; R93-N157 PolarHBondContact NH2-O 3.16Å; D154-N157 PolarHBondContact OD1-N 2.75Å; D154-N157 WeakPolarHBondContact OD2-CB 3.21Å
158D93.7Very high95.4Very high8 Ų828.6 Ų28.64%0.04313%0.133CC..EExtended strand (participates in β ladder)trans-66.9173.2175.977.43.9000111.8R93 F94 W96 E156 R160 Y163R93-D158 PolarHBondContact NH2-O 2.89Å; F94-D158 HydrophobicContact CB-CB 4.47Å; F94-D158 WeakPolarHBondContact O-CA 3.47Å; F94-D158 WeakPolarHBondContact O-CB 3.36Å; W96-D158 PolarHBondContact NE1-OD2 3.3Å; E156-D158 VanDerWaalsContact C-N 3.32Å; E156-D158 PolarHBondContact O-N 3.42Å; D158-R160 IonicContact OD1-NE 2.68Å; D158-R160 IonicContact OD2-CZ 2.85Å; D158-R160 IonicContact OD2-NE 2.71Å; D158-R160 PolarHBondContact OD2-NE 2.69Å; D158-R160 IonicContact OD2-NH2 3.81Å; D158-R160 PolarHBondContact OD2-NH2 3.02Å; D158-Y163 WeakPolarHBondContact OD1-CE2 3.19Å; D158-Y163 PolarHBondContact OD1-OH 3Å
159Y95.1Very high95.6Very high0 Ų027.3 Ų27.30%013%0.128CC..EExtended strand (participates in β ladder)trans-124.6143.3161.467.4-90.4000109.5D56 P58 R93 F94 G95 W96 F166 M545 Q549D56-Y159 PolarHBondContact O-OH 3.12Å; P58-Y159 HydrophobicContact CB-CE2 4.15Å; P58-Y159 HydrophobicContact CG-CE2 4.49Å; R93-Y159 HydrophobicContact CB-CD1 4.46Å; F94-Y159 WeakPolarHBondContact O-CD1 3.4Å; F94-Y159 PolarHBondContact O-N 3.06Å; G95-Y159 CarbonylContact C-O 3.57Å; G95-Y159 VanDerWaalsContact CA-CE2 3.42Å; G95-Y159 WeakPolarHBondContact CA-O 3.34Å; G95-Y159 WeakPolarHBondContact CA-OH 3.24Å; W96-Y159 PolarHBondContact N-O 2.84Å; Y159-F166 HydrophobicContact CD2-CD2 4.13Å; Y159-F166 AromaticContact CD2-CE2 3.6Å; Y159-F166 HydrophobicContact CD2-CE2 3.6Å; Y159-F166 HydrophobicContact CE2-CE2 4.18Å; Y159-F166 HydrophobicContact CG-CE2 4.43Å; Y159-M545 HydrophobicContact CD1-CE 4.36Å; Y159-M545 HydrophobicContact CD2-CG 4.31Å; Y159-M545 HydrophobicContact CE1-CE 3.38Å; Y159-M545 HydrophobicContact CE1-CG 4.33Å; Y159-M545 HydrophobicContact CE2-CB 4.41Å; Y159-M545 HydrophobicContact CE2-CE 4.24Å; Y159-M545 HydrophobicContact CE2-CG 3.42Å; Y159-M545 VanDerWaalsContact CE2-CG 3.42Å; Y159-M545 VanDerWaalsContact CZ-CG 3.43Å; Y159-M545 WeakPolarHBondContact OH-CE 3.23Å; Y159-M545 WeakPolarHBondContact OH-CG 3.3Å; Y159-Q549 HydrophobicContact CD1-CB 3.83Å; Y159-Q549 HydrophobicContact CD2-CB 4.22Å; Y159-Q549 HydrophobicContact CE1-CB 4.34Å; Y159-Q549 HydrophobicContact CG-CB 3.76Å
160R95.3Very high95.7Very high15 Ų1527.1 Ų27.16%0.05713%0.127CC..EExtended strand (participates in β ladder)trans-131.2136.6179.5-56.7-165.9177.5-127.1-2108.6W96 S139 D158 M162 Y163 F166W96-R160 HydrophobicContact CB-CB 4.4Å; W96-R160 HydrophobicContact CB-CG 3.97Å; W96-R160 VanDerWaalsContact CD1-CZ 3.49Å; W96-R160 HydrophobicContact CG-CG 4.24Å; S139-R160 VanDerWaalsContact CB-NH1 3.31Å; S139-R160 PolarHBondContact OG-NH1 2.79Å; S139-R160 PolarHBondContact OG-NH2 2.98Å; D158-R160 IonicContact OD1-NE 2.68Å; D158-R160 IonicContact OD2-CZ 2.85Å; D158-R160 IonicContact OD2-NE 2.71Å; D158-R160 PolarHBondContact OD2-NE 2.69Å; D158-R160 IonicContact OD2-NH2 3.81Å; D158-R160 PolarHBondContact OD2-NH2 3.02Å; R160-M162 HydrophobicContact CB-CG 4.08Å; R160-M162 PolarHBondContact O-N 2.8Å; R160-M162 VanDerWaalsContact O-N 3.09Å; R160-Y163 HydrophobicContact CB-CD1 4.17Å; R160-Y163 HydrophobicContact CB-CD2 3.7Å; R160-Y163 HydrophobicContact CB-CE1 4.08Å; R160-Y163 HydrophobicContact CB-CE2 3.65Å; R160-Y163 HydrophobicContact CB-CG 3.99Å; R160-Y163 WeakPolarHBondContact CD-OH 3.38Å; R160-Y163 HydrophobicContact CG-CD2 4.11Å; R160-Y163 HydrophobicContact CG-CE1 4.09Å; R160-Y163 HydrophobicContact CG-CE2 3.51Å; R160-Y163 VanDerWaalsContact CG-CZ 3.48Å; R160-Y163 VanDerWaalsContact N-CD2 3.33Å; R160-Y163 PolarHBondContact NE-OH 2.97Å; R160-Y163 PolarHBondContact O-N 3.26Å; R160-F166 WeakPolarHBondContact O-CB 3.24Å
161T95.8Very high95.8Very high0 Ų027.1 Ų27.10%013%0.126CC..THydrogen-bonded Turntrans-62.6-19.2179.859.60000113.3W96 C98 H99 F166 M167 E541W96-T161 PolarHBondContact O-N 3.06Å; W96-T161 VanDerWaalsContact O-N 3.12Å; C98-T161 PolarHBondContact N-OG1 2.83Å; H99-T161 PolarHBondContact CE1-O 3.24Å; H99-T161 VanDerWaalsContact CE1-O 3.26Å; T161-F166 HydrophobicContact CG2-CD1 4.32Å; T161-F166 HydrophobicContact CG2-CE1 3.73Å; T161-F166 HydrophobicContact CG2-CZ 3.92Å; T161-M167 VanDerWaalsContact O-CG 3.27Å; T161-M167 WeakPolarHBondContact O-CG 3.42Å; T161-E541 VanDerWaalsContact CB-OE2 3.25Å; T161-E541 WeakPolarHBondContact CB-OE2 3.04Å; T161-E541 HydrophobicContact CG2-CB 4.02Å; T161-E541 PolarHBondContact OG1-OE2 3.43Å
162M95.3Very high95.9Very high16 Ų1628 Ų288%0.07913%0.13CC..THydrogen-bonded Turntrans-84.1-3.4175.972.2177.9-173.900115.1C98 H99 R132 V135 M136 R160 W475 H511C98-M162 HydrophobicContact CB-CB 3.99Å; C98-M162 HydrophobicContact CB-CG 3.97Å; C98-M162 HydrophobicContact CB-SD 4.15Å; H99-M162 VanDerWaalsContact CE1-CA 3.47Å; H99-M162 WeakPolarHBondContact CE1-CA 3.3Å; H99-M162 WeakPolarHBondContact NE2-CA 3.49Å; H99-M162 VanDerWaalsContact NE2-CB 3.34Å; H99-M162 WeakPolarHBondContact NE2-CB 3.4Å; R132-M162 HydrophobicContact CG-CE 4.42Å; R132-M162 HydrophobicContact CG-SD 4.02Å; V135-M162 HydrophobicContact CG1-CE 4.32Å; V135-M162 HydrophobicContact CG1-SD 4.37Å; M136-M162 HydrophobicContact SD-CE 3.9Å; R160-M162 HydrophobicContact CB-CG 4.08Å; R160-M162 PolarHBondContact O-N 2.8Å; R160-M162 VanDerWaalsContact O-N 3.09Å; M162-W475 HydrophobicContact CB-CZ2 4.31Å; M162-W475 HydrophobicContact SD-CH2 4.48Å; M162-W475 HydrophobicContact SD-CZ2 4.16Å; M162-H511 PolarHBondContact O-CE1 3.03Å
163Y96.3Very high96Very high66 Ų6627 Ų2726%0.25913%0.126SC..SBendtrans-74.1138.5177.4-68.5-33.2000110.9D158 R160 W165 F166 M167D158-Y163 WeakPolarHBondContact OD1-CE2 3.19Å; D158-Y163 PolarHBondContact OD1-OH 3Å; R160-Y163 HydrophobicContact CB-CD1 4.17Å; R160-Y163 HydrophobicContact CB-CD2 3.7Å; R160-Y163 HydrophobicContact CB-CE1 4.08Å; R160-Y163 HydrophobicContact CB-CE2 3.65Å; R160-Y163 HydrophobicContact CB-CG 3.99Å; R160-Y163 WeakPolarHBondContact CD-OH 3.38Å; R160-Y163 HydrophobicContact CG-CD2 4.11Å; R160-Y163 HydrophobicContact CG-CE1 4.09Å; R160-Y163 HydrophobicContact CG-CE2 3.51Å; R160-Y163 VanDerWaalsContact CG-CZ 3.48Å; R160-Y163 VanDerWaalsContact N-CD2 3.33Å; R160-Y163 PolarHBondContact NE-OH 2.97Å; R160-Y163 PolarHBondContact O-N 3.26Å; Y163-W165 VanDerWaalsContact C-N 3.3Å; Y163-W165 AromaticContact CD2-CE2 3.65Å; Y163-W165 AromaticContact CD2-CH2 3.87Å; Y163-W165 HydrophobicContact CD2-CH2 3.87Å; Y163-W165 AromaticContact CD2-CZ2 3.18Å; Y163-W165 HydrophobicContact CD2-CZ2 3.18Å; Y163-W165 AromaticContact CD2-NE1 3.95Å; Y163-W165 AromaticContact CE2-CZ2 3.87Å; Y163-W165 HydrophobicContact CE2-CZ2 3.87Å; Y163-W165 AromaticContact CG-CE2 3.98Å; Y163-W165 AromaticContact CG-CZ2 4Å; Y163-W165 HydrophobicContact CG-CZ2 4Å; Y163-W165 AromaticContact CG-NE1 3.93Å; Y163-W165 PolarHBondContact O-N 3.18Å; Y163-F166 WeakPolarHBondContact O-CB 3.32Å; Y163-F166 PolarHBondContact O-N 3.28Å; Y163-M167 WeakPolarHBondContact O-CG 3.45Å; Y163-M167 PolarHBondContact O-N 3.35Å
164P96.7Very high96.1Very high40 Ų4026.6 Ų26.626%0.2612%0.124SC..Hα-helixtrans-54.3-43.1-177-28.334.8000113.8F166 M167 E168 T508P164-F166 VanDerWaalsContact C-N 3.33Å; P164-F166 PolarHBondContact O-N 3.1Å; P164-M167 PolarHBondContact O-N 2.86Å; P164-E168 WeakPolarHBondContact O-CB 3.11Å; P164-E168 PolarHBondContact O-N 3.01Å; P164-T508 WeakPolarHBondContact CG-O 3.11Å
165W96.8Very high96.3Very high72 Ų7226.8 Ų26.827%0.27312%0.123SC..Hα-helixtrans-66.3-31.4177.852.5-102.8000113.4Y163 S169 A548 Q549 H551Y163-W165 VanDerWaalsContact C-N 3.3Å; Y163-W165 AromaticContact CD2-CE2 3.65Å; Y163-W165 AromaticContact CD2-CH2 3.87Å; Y163-W165 HydrophobicContact CD2-CH2 3.87Å; Y163-W165 AromaticContact CD2-CZ2 3.18Å; Y163-W165 HydrophobicContact CD2-CZ2 3.18Å; Y163-W165 AromaticContact CD2-NE1 3.95Å; Y163-W165 AromaticContact CE2-CZ2 3.87Å; Y163-W165 HydrophobicContact CE2-CZ2 3.87Å; Y163-W165 AromaticContact CG-CE2 3.98Å; Y163-W165 AromaticContact CG-CZ2 4Å; Y163-W165 HydrophobicContact CG-CZ2 4Å; Y163-W165 AromaticContact CG-NE1 3.93Å; Y163-W165 PolarHBondContact O-N 3.18Å; W165-S169 PolarHBondContact O-N 3.03Å; W165-S169 PolarHBondContact O-OG 3.32Å; W165-A548 WeakPolarHBondContact CZ3-O 3.5Å; W165-Q549 WeakPolarHBondContact CZ3-O 3.44Å; W165-H551 HydrophobicContact CB-CB 4.26Å; W165-H551 HydrophobicContact CE3-CB 4.45Å; W165-H551 PolarHBondContact O-CD2 2.94Å
166F97.8Very high96.6Very high0 Ų028.2 Ų28.20%013%0.13CC..Hα-helixtrans-70.4-47.7174.6-167.4-74.8000109.4Y159 R160 T161 Y163 P164 E168 S169 V170 E541 M545 A548 Q549Y159-F166 HydrophobicContact CD2-CD2 4.13Å; Y159-F166 AromaticContact CD2-CE2 3.6Å; Y159-F166 HydrophobicContact CD2-CE2 3.6Å; Y159-F166 HydrophobicContact CE2-CE2 4.18Å; Y159-F166 HydrophobicContact CG-CE2 4.43Å; R160-F166 WeakPolarHBondContact O-CB 3.24Å; T161-F166 HydrophobicContact CG2-CD1 4.32Å; T161-F166 HydrophobicContact CG2-CE1 3.73Å; T161-F166 HydrophobicContact CG2-CZ 3.92Å; Y163-F166 WeakPolarHBondContact O-CB 3.32Å; Y163-F166 PolarHBondContact O-N 3.28Å; P164-F166 VanDerWaalsContact C-N 3.33Å; P164-F166 PolarHBondContact O-N 3.1Å; F166-E168 VanDerWaalsContact C-N 3.33Å; F166-E168 PolarHBondContact O-N 3.44Å; F166-S169 WeakPolarHBondContact O-CB 3.23Å; F166-S169 PolarHBondContact O-N 3.03Å; F166-V170 HydrophobicContact CD1-CG2 3.89Å; F166-V170 HydrophobicContact CE1-CG2 3.82Å; F166-V170 WeakPolarHBondContact O-CG2 3.3Å; F166-V170 PolarHBondContact O-N 2.8Å; F166-E541 HydrophobicContact CE1-CB 4.43Å; F166-M545 HydrophobicContact CZ-CB 4.22Å; F166-A548 HydrophobicContact CD1-CB 3.68Å; F166-A548 HydrophobicContact CD2-CB 3.6Å; F166-A548 HydrophobicContact CE1-CB 3.58Å; F166-A548 HydrophobicContact CE2-CB 3.51Å; F166-A548 HydrophobicContact CG-CB 3.69Å; F166-A548 HydrophobicContact CZ-CB 3.5Å; F166-Q549 HydrophobicContact CE2-CB 4.48Å
167M98.3Very high96.9Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-61.3-39.1177.7-63.8169.680.100112.1T161 Y163 P164 S169 V170 W171 T477 L510T161-M167 VanDerWaalsContact O-CG 3.27Å; T161-M167 WeakPolarHBondContact O-CG 3.42Å; Y163-M167 WeakPolarHBondContact O-CG 3.45Å; Y163-M167 PolarHBondContact O-N 3.35Å; P164-M167 PolarHBondContact O-N 2.86Å; M167-S169 VanDerWaalsContact C-N 3.34Å; M167-S169 PolarHBondContact O-N 3.39Å; M167-V170 WeakPolarHBondContact O-CB 3.12Å; M167-V170 PolarHBondContact O-N 3.27Å; M167-V170 VanDerWaalsContact O-N 3.15Å; M167-W171 PolarHBondContact O-N 2.74Å; M167-T477 HydrophobicContact CB-CG2 3.96Å; M167-T477 HydrophobicContact CE-CG2 4.14Å; M167-T477 HydrophobicContact CG-CG2 4.15Å; M167-L510 HydrophobicContact CB-CB 4.22Å; M167-L510 HydrophobicContact CB-CD1 3.89Å; M167-L510 HydrophobicContact CE-CB 3.69Å; M167-L510 HydrophobicContact SD-CB 4.11Å
168E98.2Very high97.1Very high20 Ų2020.5 Ų20.59%0.0939%0.089CC..Hα-helixtrans-63.5-40.2176.3-167.1176.9-165.600111.5P164 F166 V170 W171 W172 S495 I496 L510 H551 F554P164-E168 WeakPolarHBondContact O-CB 3.11Å; P164-E168 PolarHBondContact O-N 3.01Å; F166-E168 VanDerWaalsContact C-N 3.33Å; F166-E168 PolarHBondContact O-N 3.44Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 2.98Å; E168-W171 WeakPolarHBondContact O-CB 3.46Å; E168-W171 PolarHBondContact O-N 2.78Å; E168-W172 PolarHBondContact O-N 3.41Å; E168-S495 WeakPolarHBondContact OE1-CA 3.3Å; E168-S495 WeakPolarHBondContact OE1-CB 3.42Å; E168-I496 HydrophobicContact CB-CD1 4.35Å; E168-I496 HydrophobicContact CB-CG1 4.41Å; E168-I496 HydrophobicContact CG-CD1 4.32Å; E168-I496 HydrophobicContact CG-CG1 4Å; E168-I496 WeakPolarHBondContact OE1-CB 3.25Å; E168-I496 PolarHBondContact OE1-N 3.39Å; E168-I496 WeakPolarHBondContact OE2-CD1 3.5Å; E168-L510 HydrophobicContact CB-CD1 4.13Å; E168-H551 IonicContact OE2-CE1 3.15Å; E168-H551 IonicContact OE2-NE2 2.8Å; E168-H551 PolarHBondContact OE2-NE2 3.02Å; E168-F554 HydrophobicContact CB-CE2 4.25Å; E168-F554 HydrophobicContact CG-CD2 4.31Å; E168-F554 HydrophobicContact CG-CE2 3.6Å; E168-F554 HydrophobicContact CG-CZ 3.72Å
169S98.4Very high97.3Very high0 Ų024.3 Ų24.30%011%0.11CC..Hα-helixtrans-65.5-36.2173.1-53.80000112.1W165 F166 M167 W171 W172 V173 A548 H551 Y552W165-S169 PolarHBondContact O-N 3.03Å; W165-S169 PolarHBondContact O-OG 3.32Å; F166-S169 WeakPolarHBondContact O-CB 3.23Å; F166-S169 PolarHBondContact O-N 3.03Å; M167-S169 VanDerWaalsContact C-N 3.34Å; M167-S169 PolarHBondContact O-N 3.39Å; S169-W171 VanDerWaalsContact C-N 3.35Å; S169-W172 WeakPolarHBondContact O-CB 3.16Å; S169-W172 PolarHBondContact O-N 3.48Å; S169-V173 WeakPolarHBondContact O-CG2 2.91Å; S169-V173 PolarHBondContact O-N 3.18Å; S169-A548 VanDerWaalsContact CB-CA 3.46Å; S169-H551 WeakPolarHBondContact OG-CA 2.99Å; S169-Y552 WeakPolarHBondContact CB-O 3.45Å; S169-Y552 PolarHBondContact OG-O 3.48Å
170V98.4Very high97.3Very high0 Ų029.1 Ų29.10%013%0.131CC..Hα-helixtrans-63.5-40.8173.2173.90000110.9F166 M167 E168 V173 F174 T477 F536 F540 A548F166-V170 HydrophobicContact CD1-CG2 3.89Å; F166-V170 HydrophobicContact CE1-CG2 3.82Å; F166-V170 WeakPolarHBondContact O-CG2 3.3Å; F166-V170 PolarHBondContact O-N 2.8Å; M167-V170 WeakPolarHBondContact O-CB 3.12Å; M167-V170 PolarHBondContact O-N 3.27Å; M167-V170 VanDerWaalsContact O-N 3.15Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 2.98Å; V170-V173 PolarHBondContact O-N 3.14Å; V170-F174 PolarHBondContact O-N 3.38Å; V170-T477 HydrophobicContact CB-CG2 4.35Å; V170-T477 HydrophobicContact CG1-CG2 4.08Å; V170-F536 HydrophobicContact CG1-CD2 4.05Å; V170-F536 HydrophobicContact CG1-CE2 4.09Å; V170-F540 HydrophobicContact CG1-CD1 3.74Å; V170-F540 HydrophobicContact CG1-CE1 3.69Å; V170-A548 HydrophobicContact CG2-CB 4.4Å
171W98.5Very high97.3Very high0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-61.1-44.4172.6-76.315.9000111.5M167 E168 S169 V173 F174 K175 P478 P480 W482 I493 L499 L510 V515M167-W171 PolarHBondContact O-N 2.74Å; E168-W171 WeakPolarHBondContact O-CB 3.46Å; E168-W171 PolarHBondContact O-N 2.78Å; S169-W171 VanDerWaalsContact C-N 3.35Å; W171-V173 PolarHBondContact O-N 3.06Å; W171-F174 PolarHBondContact O-N 2.81Å; W171-K175 WeakPolarHBondContact O-CB 3.48Å; W171-K175 PolarHBondContact O-N 3.24Å; W171-P478 PolarHBondContact NE1-O 2.97Å; W171-P480 HydrophobicContact CB-CB 4.36Å; W171-P480 HydrophobicContact CB-CG 4.14Å; W171-P480 HydrophobicContact CD2-CB 3.46Å; W171-P480 VanDerWaalsContact CD2-CB 3.46Å; W171-P480 HydrophobicContact CD2-CG 4.11Å; W171-P480 HydrophobicContact CE3-CB 3.78Å; W171-P480 HydrophobicContact CG-CB 3.74Å; W171-P480 HydrophobicContact CG-CG 3.82Å; W171-P480 HydrophobicContact CH2-CB 4.34Å; W171-P480 HydrophobicContact CZ2-CB 4.07Å; W171-P480 HydrophobicContact CZ3-CB 4.21Å; W171-W482 AromaticContact CH2-CH2 3.79Å; W171-W482 HydrophobicContact CH2-CH2 3.79Å; W171-W482 HydrophobicContact CH2-CZ3 4.23Å; W171-W482 HydrophobicContact CZ3-CH2 4.34Å; W171-W482 HydrophobicContact CZ3-CZ3 4.49Å; W171-I493 HydrophobicContact CE3-CB 4.47Å; W171-I493 HydrophobicContact CE3-CG2 3.99Å; W171-I493 HydrophobicContact CZ3-CB 4.41Å; W171-I493 HydrophobicContact CZ3-CG2 3.88Å; W171-L499 HydrophobicContact CH2-CD2 4.11Å; W171-L499 HydrophobicContact CZ3-CD2 4.09Å; W171-L510 HydrophobicContact CD2-CD1 4.24Å; W171-L510 HydrophobicContact CE3-CD1 4.44Å; W171-L510 HydrophobicContact CE3-CD2 4.48Å; W171-L510 HydrophobicContact CH2-CD2 3.55Å; W171-L510 HydrophobicContact CZ2-CB 4.42Å; W171-L510 HydrophobicContact CZ2-CD1 4.45Å; W171-L510 HydrophobicContact CZ2-CD2 3.9Å; W171-L510 HydrophobicContact CZ2-CG 4.5Å; W171-L510 HydrophobicContact CZ3-CD2 3.88Å; W171-V515 HydrophobicContact CH2-CG1 4.25Å; W171-V515 HydrophobicContact CZ2-CG1 4.48Å
172W98.4Very high97.2Very high33 Ų3331 Ų3113%0.12515%0.152CC..Hα-helixtrans-58.3-49.2174.3172.483.5000111.7E168 S169 F174 K175 Q176 G494 Y552 P553 F554 L590 F591E168-W172 PolarHBondContact O-N 3.41Å; S169-W172 WeakPolarHBondContact O-CB 3.16Å; S169-W172 PolarHBondContact O-N 3.48Å; W172-F174 VanDerWaalsContact C-N 3.29Å; W172-F174 PolarHBondContact O-N 3.03Å; W172-K175 PolarHBondContact O-N 2.86Å; W172-Q176 HydrophobicContact CD2-CG 3.92Å; W172-Q176 HydrophobicContact CE3-CG 4.42Å; W172-Q176 HydrophobicContact CG-CG 4.49Å; W172-Q176 HydrophobicContact CH2-CG 3.86Å; W172-Q176 HydrophobicContact CZ2-CG 3.36Å; W172-Q176 HydrophobicContact CZ3-CG 4.39Å; W172-Q176 WeakPolarHBondContact O-CG 3.26Å; W172-Q176 PolarHBondContact O-N 2.94Å; W172-G494 WeakPolarHBondContact CA-O 3.37Å; W172-G494 PolarHBondContact N-O 3.33Å; W172-Y552 HydrophobicContact CE3-CD1 4.31Å; W172-Y552 HydrophobicContact CE3-CE1 4.42Å; W172-Y552 HydrophobicContact CH2-CD1 4.09Å; W172-Y552 AromaticContact CH2-CE1 3.43Å; W172-Y552 HydrophobicContact CH2-CE1 3.43Å; W172-Y552 VanDerWaalsContact CH2-CE1 3.43Å; W172-Y552 AromaticContact CZ2-CE1 3.85Å; W172-Y552 HydrophobicContact CZ2-CE1 3.85Å; W172-Y552 AromaticContact CZ3-CD1 3.89Å; W172-Y552 HydrophobicContact CZ3-CD1 3.89Å; W172-Y552 AromaticContact CZ3-CE1 3.72Å; W172-Y552 HydrophobicContact CZ3-CE1 3.72Å; W172-P553 VanDerWaalsContact CD2-CD 3.42Å; W172-P553 HydrophobicContact CD2-CG 3.9Å; W172-P553 HydrophobicContact CG-CG 3.82Å; W172-P553 HydrophobicContact CZ2-CG 4.44Å; W172-F554 HydrophobicContact CB-CE2 4.2Å; W172-F554 HydrophobicContact CB-CZ 4.09Å; W172-L590 HydrophobicContact CH2-CD2 4.4Å; W172-L590 HydrophobicContact CZ3-CD1 4.24Å; W172-L590 HydrophobicContact CZ3-CD2 4.49Å; W172-F591 AromaticContact CH2-CZ 4Å; W172-F591 HydrophobicContact CH2-CZ 4Å
173V98.2Very high97.1Very high0 Ų030.9 Ų30.90%015%0.152CC..Hα-helixtrans-54.3-49.9177.5167.70000109.9S169 V170 W171 K175 Q176 L177 F540 Y547 L586 L590S169-V173 WeakPolarHBondContact O-CG2 2.91Å; S169-V173 PolarHBondContact O-N 3.18Å; V170-V173 PolarHBondContact O-N 3.14Å; W171-V173 PolarHBondContact O-N 3.06Å; V173-K175 PolarHBondContact O-N 3.28Å; V173-Q176 PolarHBondContact O-N 3.5Å; V173-L177 HydrophobicContact CG1-CD1 4.37Å; V173-L177 WeakPolarHBondContact O-CG 3.4Å; V173-L177 PolarHBondContact O-N 2.96Å; V173-L177 VanDerWaalsContact O-N 3.14Å; V173-F540 HydrophobicContact CG1-CE1 4.32Å; V173-F540 HydrophobicContact CG1-CE2 4.47Å; V173-F540 HydrophobicContact CG1-CZ 3.78Å; V173-Y547 HydrophobicContact CG2-CD2 3.67Å; V173-Y547 HydrophobicContact CG2-CE2 4.24Å; V173-Y547 HydrophobicContact CG2-CG 4.43Å; V173-L586 HydrophobicContact CG1-CD2 4.09Å; V173-L590 HydrophobicContact CB-CD1 4.48Å; V173-L590 HydrophobicContact CG1-CD1 3.94Å; V173-L590 HydrophobicContact CG1-CD2 4.42Å; V173-L590 HydrophobicContact CG2-CD1 4Å
174F98.3Very high96.8Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-63.1-42.1-179.5-174.9-103.2000112.6V170 W171 W172 Q176 L177 Y178 V183 V469 I479 P480 I481 F536 F540V170-F174 PolarHBondContact O-N 3.38Å; W171-F174 PolarHBondContact O-N 2.81Å; W172-F174 VanDerWaalsContact C-N 3.29Å; W172-F174 PolarHBondContact O-N 3.03Å; F174-Q176 VanDerWaalsContact C-N 3.34Å; F174-Q176 PolarHBondContact O-N 2.86Å; F174-L177 PolarHBondContact O-N 3.23Å; F174-Y178 WeakPolarHBondContact O-CB 3.35Å; F174-Y178 PolarHBondContact O-N 3.32Å; F174-V183 HydrophobicContact CD2-CG2 4.18Å; F174-V183 HydrophobicContact CE1-CG1 4.44Å; F174-V183 HydrophobicContact CE2-CG1 3.84Å; F174-V183 HydrophobicContact CE2-CG2 3.79Å; F174-V183 HydrophobicContact CZ-CB 4.48Å; F174-V183 HydrophobicContact CZ-CG1 3.57Å; F174-V183 HydrophobicContact CZ-CG2 4.16Å; F174-V469 HydrophobicContact CE2-CG2 4.31Å; F174-I479 HydrophobicContact CE1-CG2 3.93Å; F174-I479 HydrophobicContact CZ-CG2 3.96Å; F174-P480 HydrophobicContact CD1-CG 3.83Å; F174-P480 HydrophobicContact CE1-CG 4.47Å; F174-I481 HydrophobicContact CE1-CD1 3.67Å; F174-I481 HydrophobicContact CE1-CG1 3.8Å; F174-I481 HydrophobicContact CZ-CD1 3.86Å; F174-I481 HydrophobicContact CZ-CG1 4.45Å; F174-F536 HydrophobicContact CB-CE1 4.26Å; F174-F536 HydrophobicContact CB-CZ 3.66Å; F174-F536 AromaticContact CD1-CZ 3.96Å; F174-F536 HydrophobicContact CD1-CZ 3.96Å; F174-F536 AromaticContact CD2-CE1 3.37Å; F174-F536 HydrophobicContact CD2-CE1 3.37Å; F174-F536 AromaticContact CD2-CZ 3.53Å; F174-F536 HydrophobicContact CD2-CZ 3.53Å; F174-F536 HydrophobicContact CE1-CZ 4.44Å; F174-F536 AromaticContact CE2-CE1 3.7Å; F174-F536 HydrophobicContact CE2-CE1 3.7Å; F174-F536 HydrophobicContact CE2-CZ 4.06Å; F174-F536 AromaticContact CG-CE1 3.83Å; F174-F536 HydrophobicContact CG-CE1 3.83Å; F174-F536 AromaticContact CG-CZ 3.44Å; F174-F536 HydrophobicContact CG-CZ 3.44Å; F174-F536 VanDerWaalsContact CG-CZ 3.44Å; F174-F536 HydrophobicContact CZ-CE1 4.4Å; F174-F536 HydrophobicContact CZ-CZ 4.47Å; F174-F540 HydrophobicContact CB-CE1 4.09Å; F174-F540 HydrophobicContact CB-CZ 3.95Å; F174-F540 HydrophobicContact CD2-CE1 4.46Å; F174-F540 HydrophobicContact CD2-CZ 4Å; F174-F540 HydrophobicContact CG-CZ 4.49Å
175K98.2Very high96.4Very high37 Ų3731.4 Ų31.416%0.16115%0.148CC..Hα-helixtrans-60.7-42.2175.4-171.3-178.7-170.9-39.80111.7W171 W172 V173 L177 Y178 D179 C492 E498W171-K175 WeakPolarHBondContact O-CB 3.48Å; W171-K175 PolarHBondContact O-N 3.24Å; W172-K175 PolarHBondContact O-N 2.86Å; V173-K175 PolarHBondContact O-N 3.28Å; K175-L177 VanDerWaalsContact C-N 3.29Å; K175-L177 PolarHBondContact O-N 3.49Å; K175-Y178 WeakPolarHBondContact O-CB 3.33Å; K175-Y178 PolarHBondContact O-N 3.06Å; K175-Y178 VanDerWaalsContact O-N 3.14Å; K175-D179 IonicContact NZ-OD1 3.39Å; K175-D179 PolarHBondContact NZ-OD1 3.44Å; K175-D179 IonicContact NZ-OD2 3.7Å; K175-D179 PolarHBondContact NZ-OD2 3.49Å; K175-D179 WeakPolarHBondContact O-CB 3.43Å; K175-D179 VanDerWaalsContact O-CG 3.23Å; K175-D179 PolarHBondContact O-N 3.19Å; K175-C492 VanDerWaalsContact CE-O 3.32Å; K175-C492 WeakPolarHBondContact CE-O 3.34Å; K175-E498 WeakPolarHBondContact CE-OE1 3.45Å
176Q98.1Very high95.8Very high54 Ų5428.4 Ų28.425%0.25214%0.139SC..Hα-helixtrans-60.5-39.7176-66.4-49.7-65.100112.5W172 V173 F174 K180 L590W172-Q176 HydrophobicContact CD2-CG 3.92Å; W172-Q176 HydrophobicContact CE3-CG 4.42Å; W172-Q176 HydrophobicContact CG-CG 4.49Å; W172-Q176 HydrophobicContact CH2-CG 3.86Å; W172-Q176 HydrophobicContact CZ2-CG 3.36Å; W172-Q176 HydrophobicContact CZ3-CG 4.39Å; W172-Q176 WeakPolarHBondContact O-CG 3.26Å; W172-Q176 PolarHBondContact O-N 2.94Å; V173-Q176 PolarHBondContact O-N 3.5Å; F174-Q176 VanDerWaalsContact C-N 3.34Å; F174-Q176 PolarHBondContact O-N 2.86Å; Q176-K180 WeakPolarHBondContact O-CB 3.21Å; Q176-K180 WeakPolarHBondContact O-CD 3.49Å; Q176-K180 WeakPolarHBondContact O-CG 3.34Å; Q176-K180 PolarHBondContact O-N 3.35Å; Q176-K180 VanDerWaalsContact O-N 3.16Å; Q176-L590 HydrophobicContact CB-CD2 3.6Å; Q176-L590 HydrophobicContact CG-CD2 4.24Å
177L97.4Very high95.2Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-68.3-38.9175.9-60.4179.1000111.5V173 F174 K175 K180 G181 L182 V183 I429 F540 L586 A589 L590V173-L177 HydrophobicContact CG1-CD1 4.37Å; V173-L177 WeakPolarHBondContact O-CG 3.4Å; V173-L177 PolarHBondContact O-N 2.96Å; V173-L177 VanDerWaalsContact O-N 3.14Å; F174-L177 PolarHBondContact O-N 3.23Å; K175-L177 VanDerWaalsContact C-N 3.29Å; K175-L177 PolarHBondContact O-N 3.49Å; L177-K180 PolarHBondContact O-N 3.14Å; L177-G181 PolarHBondContact O-N 2.99Å; L177-L182 HydrophobicContact CB-CB 4.31Å; L177-L182 HydrophobicContact CD2-CD1 3.77Å; L177-L182 WeakPolarHBondContact O-CB 3.28Å; L177-L182 PolarHBondContact O-N 3.07Å; L177-V183 HydrophobicContact CB-CG2 3.75Å; L177-I429 HydrophobicContact CD1-CD1 3.74Å; L177-I429 HydrophobicContact CD1-CG1 4.37Å; L177-F540 HydrophobicContact CD1-CE2 3.89Å; L177-F540 HydrophobicContact CD1-CZ 4.13Å; L177-L586 HydrophobicContact CD1-CD2 3.77Å; L177-A589 HydrophobicContact CD2-CB 3.44Å; L177-A589 VanDerWaalsContact CD2-CB 3.44Å; L177-L590 HydrophobicContact CD2-CD2 4.09Å; L177-L590 HydrophobicContact CD2-CG 4.45Å; L177-L590 HydrophobicContact CG-CD2 4.44Å
178Y96.4Very high94.5Very high69 Ų6933.7 Ų33.727%0.27116%0.164SC..Hα-helixtrans-63-51176.5-176.5-88.6000111.6F174 K175 K180 G181 V183 V490 C492F174-Y178 WeakPolarHBondContact O-CB 3.35Å; F174-Y178 PolarHBondContact O-N 3.32Å; K175-Y178 WeakPolarHBondContact O-CB 3.33Å; K175-Y178 PolarHBondContact O-N 3.06Å; K175-Y178 VanDerWaalsContact O-N 3.14Å; Y178-K180 PolarHBondContact O-N 3Å; Y178-G181 PolarHBondContact O-N 2.81Å; Y178-V183 HydrophobicContact CD2-CB 3.97Å; Y178-V183 HydrophobicContact CD2-CG1 4.03Å; Y178-V490 HydrophobicContact CE2-CG1 4.44Å; Y178-C492 HydrophobicContact CD1-CB 3.58Å; Y178-C492 HydrophobicContact CD2-CB 4.18Å; Y178-C492 HydrophobicContact CE1-CB 3.86Å; Y178-C492 HydrophobicContact CE2-CB 4.42Å; Y178-C492 HydrophobicContact CG-CB 3.76Å
179D96.7Very high94.1Very high89 Ų8933.4 Ų33.448%0.47616%0.163SC..Hα-helixtrans-61.4-29.9179.1-65.8-13.5000111.9K175 G181K175-D179 IonicContact NZ-OD1 3.39Å; K175-D179 PolarHBondContact NZ-OD1 3.44Å; K175-D179 IonicContact NZ-OD2 3.7Å; K175-D179 PolarHBondContact NZ-OD2 3.49Å; K175-D179 WeakPolarHBondContact O-CB 3.43Å; K175-D179 VanDerWaalsContact O-CG 3.23Å; K175-D179 PolarHBondContact O-N 3.19Å; D179-G181 VanDerWaalsContact C-N 3.26Å; D179-G181 PolarHBondContact O-N 3.02Å
180K96.3Very high93.5Very high101 Ų10135 Ų3544%0.43917%0.171SC..THydrogen-bonded Turntrans-79.82.2173.7-72.6172.4175.5176.50114.2Q176 L177 Y178 L182 A589 L590Q176-K180 WeakPolarHBondContact O-CB 3.21Å; Q176-K180 WeakPolarHBondContact O-CD 3.49Å; Q176-K180 WeakPolarHBondContact O-CG 3.34Å; Q176-K180 PolarHBondContact O-N 3.35Å; Q176-K180 VanDerWaalsContact O-N 3.16Å; L177-K180 PolarHBondContact O-N 3.14Å; Y178-K180 PolarHBondContact O-N 3Å; K180-L182 HydrophobicContact CB-CD1 4.21Å; K180-L182 HydrophobicContact CB-CG 4Å; K180-L182 HydrophobicContact CD-CD1 4.49Å; K180-L182 PolarHBondContact O-N 3.27Å; K180-A589 PolarHBondContact NZ-O 3.01Å; K180-L590 PolarHBondContact NZ-O 3.4Å
181G94Very high93Very high42 Ų4235.1 Ų35.143%0.43317%0.172SC..THydrogen-bonded Turntrans69.815.5-177.700000114.5L177 Y178 D179 R430L177-G181 PolarHBondContact O-N 2.99Å; Y178-G181 PolarHBondContact O-N 2.81Å; D179-G181 VanDerWaalsContact C-N 3.26Å; D179-G181 PolarHBondContact O-N 3.02Å; G181-R430 PolarHBondContact O-NE 2.94Å
182L94.2Very high92.6Very high13 Ų1335.6 Ų35.67%0.06817%0.174CC..  trans-83.8-19.2179.5-58.7179.5000112.3L177 K180 I429 R430 M434 A589L177-L182 HydrophobicContact CB-CB 4.31Å; L177-L182 HydrophobicContact CD2-CD1 3.77Å; L177-L182 WeakPolarHBondContact O-CB 3.28Å; L177-L182 PolarHBondContact O-N 3.07Å; K180-L182 HydrophobicContact CB-CD1 4.21Å; K180-L182 HydrophobicContact CB-CG 4Å; K180-L182 HydrophobicContact CD-CD1 4.49Å; K180-L182 PolarHBondContact O-N 3.27Å; L182-I429 CarbonylContact O-C 3.55Å; L182-I429 WeakPolarHBondContact O-CA 3.46Å; L182-R430 HydrophobicContact CD2-CB 4.48Å; L182-R430 WeakPolarHBondContact O-CG 3.43Å; L182-R430 PolarHBondContact O-N 3.44Å; L182-M434 HydrophobicContact CD1-CE 4.03Å; L182-M434 HydrophobicContact CD2-CE 4.21Å; L182-A589 HydrophobicContact CD1-CB 3.81Å
183V94Very high92Very high12 Ų1234 Ų347%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-95.3134.4176.8178.70000109.5F174 L177 Y178 W427 F428F174-V183 HydrophobicContact CD2-CG2 4.18Å; F174-V183 HydrophobicContact CE1-CG1 4.44Å; F174-V183 HydrophobicContact CE2-CG1 3.84Å; F174-V183 HydrophobicContact CE2-CG2 3.79Å; F174-V183 HydrophobicContact CZ-CB 4.48Å; F174-V183 HydrophobicContact CZ-CG1 3.57Å; F174-V183 HydrophobicContact CZ-CG2 4.16Å; L177-V183 HydrophobicContact CB-CG2 3.75Å; Y178-V183 HydrophobicContact CD2-CB 3.97Å; Y178-V183 HydrophobicContact CD2-CG1 4.03Å; V183-W427 HydrophobicContact CG1-CE3 3.78Å; V183-W427 HydrophobicContact CG1-CZ3 4.25Å; V183-F428 WeakPolarHBondContact CA-O 3.38Å
184Y90.2Very high91.5Very high27 Ų2734.4 Ų34.411%0.10617%0.17CC..EExtended strand (participates in β ladder)trans-145.9156.5170.473.4-80.8000111K356 F428 R430 D466Y184-K356 HydrophobicContact CE2-CD 4.06Å; Y184-F428 HydrophobicContact CD1-CB 3.93Å; Y184-F428 HydrophobicContact CE1-CB 3.41Å; Y184-F428 VanDerWaalsContact CE1-CB 3.41Å; Y184-F428 HydrophobicContact CE1-CG 4.3Å; Y184-F428 HydrophobicContact CE2-CB 4.08Å; Y184-F428 HydrophobicContact CE2-CD2 4.09Å; Y184-F428 HydrophobicContact CE2-CG 4.29Å; Y184-F428 HydrophobicContact CG-CB 4.49Å; Y184-F428 VanDerWaalsContact CZ-CB 3.47Å; Y184-F428 AromaticContact CZ-CG 3.87Å; Y184-F428 PolarHBondContact N-O 2.96Å; Y184-F428 PolarHBondContact O-N 3.18Å; Y184-R430 HydrophobicContact CD1-CG 3.61Å; Y184-R430 HydrophobicContact CE1-CG 3.71Å; Y184-D466 HydrophobicContact CE1-CB 4.35Å; Y184-D466 WeakPolarHBondContact CE1-OD2 3.35Å; Y184-D466 PolarHBondContact OH-OD2 3.37Å
185R88Confident90.4Very high91 Ų9137 Ų3734%0.34319%0.192SC..EExtended strand (participates in β ladder)trans-92127.3171.1-163177.2-176.4-156.12.1108.5W427 M487R185-W427 HydrophobicContact CB-CD2 4.21Å; R185-W427 HydrophobicContact CB-CE3 3.95Å; R185-W427 HydrophobicContact CB-CH2 4.03Å; R185-W427 HydrophobicContact CB-CZ2 4.28Å; R185-W427 HydrophobicContact CB-CZ3 3.86Å; R185-W427 HydrophobicContact CG-CD2 4.28Å; R185-W427 HydrophobicContact CG-CZ2 4.28Å; R185-M487 PolarHBondContact NH1-SD 3.4Å
186G84Confident89.1Confident8 Ų835.6 Ų35.68%0.08219%0.186CC..EExtended strand (participates in β ladder)trans-138-166.117800000110.9P425 T426G186-P425 WeakPolarHBondContact O-CA 3.5Å; G186-T426 PolarHBondContact N-O 2.92Å; G186-T426 PolarHBondContact O-N 3.44Å
187L84.4Confident88.1Confident32 Ų3234.4 Ų34.417%0.16818%0.184CC..EExtended strand (participates in β ladder)trans-114139.6176.6-63.6173000109.9Y339 F345 M360 A423 P425L187-Y339 HydrophobicContact CD1-CD1 3.93Å; L187-Y339 HydrophobicContact CD1-CE1 3.5Å; L187-Y339 VanDerWaalsContact CD1-CE1 3.5Å; L187-F345 HydrophobicContact CB-CE2 4.11Å; L187-F345 HydrophobicContact CB-CZ 3.9Å; L187-F345 HydrophobicContact CD1-CE2 4.21Å; L187-M360 HydrophobicContact CD1-CB 4.11Å; L187-M360 HydrophobicContact CD1-CG 3.89Å; L187-M360 HydrophobicContact CD1-SD 4.16Å; L187-M360 HydrophobicContact CD2-CG 4.39Å; L187-M360 HydrophobicContact CD2-SD 3.68Å; L187-A423 HydrophobicContact CB-CB 4.45Å; L187-P425 HydrophobicContact CD2-CG 4.38Å
188K84.5Confident87.1Confident79 Ų7934.7 Ų34.734%0.34319%0.186SC..EExtended strand (participates in β ladder)trans-123.3129.9169.4-163.7171.6177.4175.10109.6M190 A423 I424 F428 A468K188-M190 HydrophobicContact CB-CG 4.37Å; K188-M190 HydrophobicContact CD-CG 4.07Å; K188-M190 HydrophobicContact CD-SD 4.12Å; K188-M190 HydrophobicContact CG-CG 3.97Å; K188-A423 CarbonylContact O-C 3.59Å; K188-A423 WeakPolarHBondContact O-CA 3.45Å; K188-I424 PolarHBondContact N-O 2.98Å; K188-I424 PolarHBondContact O-N 3.46Å; K188-F428 HydrophobicContact CB-CZ 3.8Å; K188-F428 HydrophobicContact CD-CZ 4.42Å; K188-F428 HydrophobicContact CG-CZ 4.3Å; K188-A468 HydrophobicContact CD-CB 3.8Å
189V88.6Confident86.5Confident14 Ų1432.3 Ų32.39%0.08518%0.179CC..EExtended strand (participates in β ladder)trans-78.8122.6169.5-177.30000108.1F345 Y421 K422 A423V189-F345 HydrophobicContact CG2-CB 4.05Å; V189-F345 HydrophobicContact CG2-CG 4.43Å; V189-Y421 HydrophobicContact CG1-CD1 4.25Å; V189-K422 WeakPolarHBondContact CA-O 3.17Å; V189-A423 HydrophobicContact CG2-CB 4.26Å
190M86.7Confident85.3Confident35 Ų3528.1 Ų28.117%0.17216%0.156CC..EExtended strand (participates in β ladder)trans-134.2154-178.2-74.1-170.349.100111.5K188 F192 P199 L200 Y421 K422 I424K188-M190 HydrophobicContact CB-CG 4.37Å; K188-M190 HydrophobicContact CD-CG 4.07Å; K188-M190 HydrophobicContact CD-SD 4.12Å; K188-M190 HydrophobicContact CG-CG 3.97Å; M190-F192 PolarHBondContact O-N 3.45Å; M190-P199 HydrophobicContact CE-CB 3.63Å; M190-P199 HydrophobicContact SD-CB 4.41Å; M190-L200 VanDerWaalsContact CE-O 3.27Å; M190-L200 WeakPolarHBondContact CE-O 3.38Å; M190-Y421 WeakPolarHBondContact O-CA 3.4Å; M190-K422 PolarHBondContact N-O 3.37Å; M190-K422 PolarHBondContact O-N 2.93Å; M190-I424 HydrophobicContact CB-CD1 4.13Å
191P88.5Confident83.9Confident1 Ų124.8 Ų24.81%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-56.3133.6163.8-1526.7000109.4P199 L200 A205 L419 I420 Y421P191-P199 CarbonylContact O-C 3.5Å; P191-P199 WeakPolarHBondContact O-CA 3.4Å; P191-L200 HydrophobicContact CB-CB 4.43Å; P191-L200 PolarHBondContact O-N 2.58Å; P191-A205 HydrophobicContact CB-CB 3.72Å; P191-A205 HydrophobicContact CG-CB 3.75Å; P191-L419 HydrophobicContact CB-CD1 4.15Å; P191-I420 CarbonylContact C-O 3.53Å; P191-Y421 HydrophobicContact CB-CE1 4.38Å; P191-Y421 HydrophobicContact CG-CD1 4.37Å; P191-Y421 HydrophobicContact CG-CE1 3.7Å
192F89.5Confident82.7Confident10 Ų1028.7 Ų28.74%0.04416%0.157CC..EExtended strand (participates in β ladder)trans-134126.3-174-167.2-78.9000109.6M190 T194 P366 I420 K422 I424M190-F192 PolarHBondContact O-N 3.45Å; F192-T194 HydrophobicContact CD1-CG2 4.46Å; F192-P366 WeakPolarHBondContact CE1-O 3.42Å; F192-P366 HydrophobicContact CZ-CB 4.32Å; F192-I420 WeakPolarHBondContact CA-O 3.39Å; F192-I420 HydrophobicContact CB-CG1 4.11Å; F192-I420 WeakPolarHBondContact CB-O 3.17Å; F192-I420 PolarHBondContact N-O 3.45Å; F192-I420 PolarHBondContact O-N 3.24Å; F192-I420 VanDerWaalsContact O-N 3.09Å; F192-K422 HydrophobicContact CB-CB 4.02Å; F192-K422 HydrophobicContact CD2-CD 4.38Å; F192-K422 HydrophobicContact CG-CB 4.36Å; F192-K422 HydrophobicContact CG-CD 4.36Å; F192-I424 HydrophobicContact CD2-CD1 3.6Å; F192-I424 HydrophobicContact CD2-CG1 4.23Å; F192-I424 HydrophobicContact CE2-CD1 4.11Å
193S86.3Confident80.8Confident0 Ų034.9 Ų34.90%018%0.183CC..EExtended strand (participates in β ladder)trans-87.4112.9173.3177.60000109.2A195 C196 S197 T198 C412S193-A195 VanDerWaalsContact C-N 3.34Å; S193-C196 WeakPolarHBondContact OG-CB 3.41Å; S193-C196 PolarHBondContact OG-N 3.35Å; S193-C196 PolarHBondContact OG-SG 3.25Å; S193-S197 WeakPolarHBondContact O-CA 3.49Å; S193-S197 PolarHBondContact O-N 3.02Å; S193-T198 PolarHBondContact N-O 2.75Å; S193-T198 PolarHBondContact O-N 2.76Å; S193-C412 PolarHBondContact OG-SG 3.17Å
194T86.8Confident79.2Confident9 Ų934.6 Ų34.66%0.05518%0.181CC..THydrogen-bonded Turntrans-71.8-29178.151.40000112.6F192 Y381 I420F192-T194 HydrophobicContact CD1-CG2 4.46Å; T194-Y381 HydrophobicContact CG2-CE2 4.05Å; T194-Y381 PolarHBondContact OG1-OH 3.4Å; T194-Y381 VanDerWaalsContact OG1-OH 3.04Å; T194-I420 HydrophobicContact CG2-CD1 3.6Å; T194-I420 HydrophobicContact CG2-CG1 3.88Å; T194-I420 HydrophobicContact CG2-CG2 4.43Å
195A75.2Confident78.3Confident54 Ų5433.5 Ų33.545%0.44618%0.177SC..THydrogen-bonded Turntrans-75.8-33.4176.400000112.5S193 T417S193-A195 VanDerWaalsContact C-N 3.34Å; A195-T417 HydrophobicContact CB-CG2 3.79Å; A195-T417 WeakPolarHBondContact CB-OG1 3.31Å
196C70.4Confident77.6Confident7 Ų731.3 Ų31.35%0.04718%0.183CC..THydrogen-bonded Turntrans-96.9-3178.3-52.30000112.6T114 P116 S193 T198T114-C196 PolarHBondContact O-SG 2.92Å; P116-C196 WeakPolarHBondContact CD-O 3.19Å; P116-C196 WeakPolarHBondContact CG-O 3.46Å; S193-C196 WeakPolarHBondContact OG-CB 3.41Å; S193-C196 PolarHBondContact OG-N 3.35Å; S193-C196 PolarHBondContact OG-SG 3.25Å; C196-T198 HydrophobicContact CB-CG2 3.76Å; C196-T198 PolarHBondContact O-N 2.6Å; C196-T198 VanDerWaalsContact O-N 3.17Å
197S78.2Confident76.8Confident29 Ų2934.3 Ų34.320%0.20320%0.195CC..THydrogen-bonded Turntrans49.139.7-177.6-57.70000114.6S193 N367S193-S197 WeakPolarHBondContact O-CA 3.49Å; S193-S197 PolarHBondContact O-N 3.02Å; S197-N367 PolarHBondContact OG-OD1 3.41Å
198T77Confident76.6Confident7 Ų734.1 Ų34.14%0.04319%0.194CC..EExtended strand (participates in β ladder)trans-142.5146.9-176.7-177.80000112.8P116 S193 C196 L200P116-T198 HydrophobicContact CG-CG2 3.94Å; S193-T198 PolarHBondContact N-O 2.75Å; S193-T198 PolarHBondContact O-N 2.76Å; C196-T198 HydrophobicContact CB-CG2 3.76Å; C196-T198 PolarHBondContact O-N 2.6Å; C196-T198 VanDerWaalsContact O-N 3.17Å; T198-L200 HydrophobicContact CG2-CD2 4.33Å
199P83.7Confident76.8Confident18 Ų1835.9 Ų35.912%0.11720%0.2CC..EExtended strand (participates in β ladder)trans-55.5147.616014.4-21.6000111.5M190 P191 I424 N472M190-P199 HydrophobicContact CE-CB 3.63Å; M190-P199 HydrophobicContact SD-CB 4.41Å; P191-P199 CarbonylContact O-C 3.5Å; P191-P199 WeakPolarHBondContact O-CA 3.4Å; P199-I424 HydrophobicContact CB-CD1 3.4Å; P199-I424 VanDerWaalsContact CB-CD1 3.4Å; P199-I424 HydrophobicContact CG-CD1 3.66Å; P199-N472 HydrophobicContact CG-CB 3.93Å
200L70.5Confident76.7Confident1 Ų138.6 Ų38.61%0.00521%0.21CC..  trans-113.7148.2166.8-62-174.7000109.5M190 P191 T198 E204 L419M190-L200 VanDerWaalsContact CE-O 3.27Å; M190-L200 WeakPolarHBondContact CE-O 3.38Å; P191-L200 HydrophobicContact CB-CB 4.43Å; P191-L200 PolarHBondContact O-N 2.58Å; T198-L200 HydrophobicContact CG2-CD2 4.33Å; L200-E204 HydrophobicContact CB-CB 4.07Å; L200-L419 HydrophobicContact CD1-CD1 3.77Å; L200-L419 HydrophobicContact CD1-CD2 3.5Å; L200-L419 HydrophobicContact CD1-CG 4.31Å; L200-L419 HydrophobicContact CG-CD2 4.45Å
201S68.1Low76.9Confident31 Ų3142.8 Ų42.822%0.21723%0.233CC..  trans-67.7158.7168.863.50000111.3F203 E204 A205S201-F203 PolarHBondContact O-N 2.79Å; S201-E204 WeakPolarHBondContact CB-OE2 3.16Å; S201-E204 PolarHBondContact N-OE2 3.11Å; S201-E204 PolarHBondContact O-N 2.88Å; S201-E204 VanDerWaalsContact O-N 3.11Å; S201-E204 WeakPolarHBondContact OG-CB 3.27Å; S201-E204 VanDerWaalsContact OG-CG 3.29Å; S201-E204 WeakPolarHBondContact OG-CG 3.41Å; S201-E204 PolarHBondContact OG-N 3.04Å; S201-E204 PolarHBondContact OG-OE2 2.84Å; S201-A205 PolarHBondContact O-N 3.43Å
202N68.1Low77Confident125 Ų12544 Ų4467%0.66824%0.241SC*.Hα-helixtrans-58.8-31.1173.7-68.6-5.5000112G206N202-G206 PolarHBondContact O-N 3.44Å
203F54.2Low77.1Confident142 Ų14250.5 Ų50.562%0.62327%0.272SS*.Hα-helixtrans-65.5-48.4174.3178.3-106.3000111.6S201 G206 Q207S201-F203 PolarHBondContact O-N 2.79Å; F203-G206 PolarHBondContact O-N 2.81Å; F203-Q207 WeakPolarHBondContact O-CG 3.33Å
204E60.5Low77.4Confident7 Ų751.2 Ų51.23%0.03328%0.275CS..Hα-helixtrans-63.7-40.3177.3-73.5167.7116.600112.1L200 S201 G206 Q207 R414L200-E204 HydrophobicContact CB-CB 4.07Å; S201-E204 WeakPolarHBondContact CB-OE2 3.16Å; S201-E204 PolarHBondContact N-OE2 3.11Å; S201-E204 PolarHBondContact O-N 2.88Å; S201-E204 VanDerWaalsContact O-N 3.11Å; S201-E204 WeakPolarHBondContact OG-CB 3.27Å; S201-E204 VanDerWaalsContact OG-CG 3.29Å; S201-E204 WeakPolarHBondContact OG-CG 3.41Å; S201-E204 PolarHBondContact OG-N 3.04Å; S201-E204 PolarHBondContact OG-OE2 2.84Å; E204-G206 VanDerWaalsContact C-N 3.25Å; E204-G206 PolarHBondContact O-N 3.45Å; E204-Q207 PolarHBondContact O-N 3.28Å; E204-R414 IonicContact OE1-CZ 3.99Å; E204-R414 IonicContact OE1-NH1 3.16Å; E204-R414 IonicContact OE1-NH2 3.95Å; E204-R414 PolarHBondContact OE1-NH2 2.89Å
205A71.1Confident77.7Confident3 Ų352.2 Ų52.23%0.02528%0.282CS..Hα-helixtrans-65.3-30.117600000112.6P191 S201 Q207 Y209 L419P191-A205 HydrophobicContact CB-CB 3.72Å; P191-A205 HydrophobicContact CG-CB 3.75Å; S201-A205 PolarHBondContact O-N 3.43Å; A205-Q207 VanDerWaalsContact C-N 3.3Å; A205-Q207 PolarHBondContact O-N 2.92Å; A205-Y209 WeakPolarHBondContact O-CE2 3.39Å; A205-L419 HydrophobicContact CB-CD1 3.73Å
206G73.4Confident78.6Confident45 Ų4550.2 Ų50.246%0.46426%0.264SS..THydrogen-bonded Turntrans-70.5-16.6176.100000115.6N202 F203 E204N202-G206 PolarHBondContact O-N 3.44Å; F203-G206 PolarHBondContact O-N 2.81Å; E204-G206 VanDerWaalsContact C-N 3.25Å; E204-G206 PolarHBondContact O-N 3.45Å
207Q68.2Low79.8Confident71 Ų7149.9 Ų49.933%0.33226%0.262SS..THydrogen-bonded Turntrans-78.7-21.3-169.7-72.7-174.41.700114.7F203 E204 A205 W413F203-Q207 WeakPolarHBondContact O-CG 3.33Å; E204-Q207 PolarHBondContact O-N 3.28Å; A205-Q207 VanDerWaalsContact C-N 3.3Å; A205-Q207 PolarHBondContact O-N 2.92Å; Q207-W413 HydrophobicContact CB-CB 3.92Å; Q207-W413 HydrophobicContact CB-CG 4.37Å
208N80.3Confident80.7Confident29 Ų2948.9 Ų48.916%0.15526%0.255CS..  trans-14164.9-170-168.623000111.6K210 F411 C412 W413 D416N208-K210 WeakPolarHBondContact OD1-CE 3.39Å; N208-F411 HydrophobicContact CB-CB 4.48Å; N208-F411 WeakPolarHBondContact O-CA 3.49Å; N208-F411 WeakPolarHBondContact O-CB 3.26Å; N208-F411 PolarHBondContact O-N 3.43Å; N208-C412 PolarHBondContact ND2-O 3.13Å; N208-C412 VanDerWaalsContact ND2-O 3.09Å; N208-W413 HydrophobicContact CB-CB 3.89Å; N208-D416 PolarHBondContact ND2-OD1 2.91Å
209Y87.8Confident81.7Confident116 Ų11648.6 Ų48.646%0.45525%0.253SS..EExtended strand (participates in β ladder)trans-79.6135.9169.5-89-99.7000110.6A205 P410A205-Y209 WeakPolarHBondContact O-CE2 3.39Å; Y209-P410 HydrophobicContact CD1-CB 4.5Å; Y209-P410 HydrophobicContact CD2-CB 4.49Å; Y209-P410 HydrophobicContact CE1-CB 4.02Å; Y209-P410 HydrophobicContact CE1-CG 4.36Å; Y209-P410 HydrophobicContact CE2-CB 3.99Å
210K85.5Confident82.3Confident70 Ų7047.7 Ų47.730%0.30425%0.247SC..EExtended strand (participates in β ladder)trans-135.2146.4178.7-61.1-174.1-173.4-177.40110.7N208 Y409 F411 D416N208-K210 WeakPolarHBondContact OD1-CE 3.39Å; K210-Y409 PolarHBondContact N-O 3.36Å; K210-Y409 PolarHBondContact O-N 3.46Å; K210-F411 HydrophobicContact CB-CD2 4.1Å; K210-F411 HydrophobicContact CB-CE2 4.28Å; K210-F411 HydrophobicContact CD-CD1 4.12Å; K210-F411 HydrophobicContact CD-CD2 4.42Å; K210-F411 HydrophobicContact CD-CG 4.09Å; K210-F411 HydrophobicContact CG-CD2 4.38Å; K210-F411 HydrophobicContact CG-CG 4.39Å; K210-D416 WeakPolarHBondContact CE-OD1 3.47Å; K210-D416 VanDerWaalsContact NZ-CG 3.27Å; K210-D416 IonicContact NZ-OD1 3.79Å; K210-D416 PolarHBondContact NZ-OD1 3.4Å; K210-D416 IonicContact NZ-OD2 3.82Å
211D91.9Very high83.5Confident123 Ų12347.7 Ų47.766%0.65825%0.247SC*.EExtended strand (participates in β ladder)trans-75.4125.8171.4-68.7-21.6000110.1T406 H407D211-T406 HydrophobicContact CB-CG2 4.27Å; D211-H407 WeakPolarHBondContact CA-O 3.46Å
212V91Very high84.9Confident28 Ų2846.8 Ų46.817%0.1724%0.24CC..EExtended strand (participates in β ladder)trans-131.5151.8-179.3-63.60000111.7T406 H407 Y409 F411V212-T406 VanDerWaalsContact O-CA 3.29Å; V212-T406 WeakPolarHBondContact O-CA 3.41Å; V212-H407 PolarHBondContact N-O 3.32Å; V212-H407 PolarHBondContact O-N 3.17Å; V212-Y409 VanDerWaalsContact CG2-CB 3.42Å; V212-Y409 HydrophobicContact CG2-CG 4.13Å; V212-F411 HydrophobicContact CG1-CE2 3.38Å; V212-F411 HydrophobicContact CG1-CZ 3.49Å; V212-F411 VanDerWaalsContact CG1-CZ 3.49Å
213Q91.5Very high86.2Confident146 Ų14641.1 Ų41.168%0.68221%0.21SC*.EExtended strand (participates in β ladder)trans-91.4106.2167.9-74.8-172.5-5.800109.7I405Q213-I405 WeakPolarHBondContact CA-O 3.42Å
214D91.6Very high88.1Confident14 Ų1436.9 Ų36.98%0.07519%0.194CC..EExtended strand (participates in β ladder)trans-101.7154.9172.6-84.9-43.5000110.7K383 T404 I405 H407D214-K383 IonicContact OD1-NZ 3.02Å; D214-K383 PolarHBondContact OD1-NZ 2.87Å; D214-K383 IonicContact OD2-NZ 3.54Å; D214-T404 WeakPolarHBondContact O-CA 3.33Å; D214-I405 PolarHBondContact N-O 3.48Å; D214-I405 PolarHBondContact O-N 3.25Å; D214-H407 IonicContact OD2-CD2 3.86Å; D214-H407 IonicContact OD2-CE1 3.91Å; D214-H407 IonicContact OD2-NE2 3.59Å; D214-H407 PolarHBondContact OD2-NE2 2.76Å
215P93.7Very high89.6Confident31 Ų3141.7 Ų41.720%0.20122%0.22CC..EExtended strand (participates in β ladder)trans-56.7143.9167.5-19.731.8000110.5T236 P238 D386P215-T236 CarbonylContact O-C 3.6Å; P215-T236 WeakPolarHBondContact O-CA 3.47Å; P215-P238 HydrophobicContact CB-CG 3.93Å; P215-P238 HydrophobicContact CG-CG 4.29Å; P215-D386 HydrophobicContact CG-CB 4.35Å
216S94.3Very high90.7Very high11 Ų1143.5 Ų43.58%0.07723%0.229CC..EExtended strand (participates in β ladder)trans-126.5107.4170.9159.70000107.5W234 S403S216-W234 PolarHBondContact OG-NE1 2.77Å; S216-S403 PolarHBondContact N-O 3.08Å; S216-S403 PolarHBondContact O-N 3.43Å; S216-S403 PolarHBondContact O-OG 2.89Å; S216-S403 PolarHBondContact OG-OG 2.99Å
217V96.2Very high91.4Very high0 Ų045.3 Ų45.30%023%0.233CC..EExtended strand (participates in β ladder)trans-123144.9-171.8-64.20000111.9V219 W234 T235 P238 L399 H401 Q402V217-V219 HydrophobicContact CG2-CG2 4.18Å; V217-W234 WeakPolarHBondContact O-CA 3.38Å; V217-T235 HydrophobicContact CG2-CG2 3.66Å; V217-T235 PolarHBondContact N-O 2.81Å; V217-T235 PolarHBondContact O-N 3.01Å; V217-P238 HydrophobicContact CG2-CB 4.49Å; V217-P238 HydrophobicContact CG2-CG 3.98Å; V217-L399 HydrophobicContact CB-CD1 3.93Å; V217-L399 HydrophobicContact CG1-CD1 4.07Å; V217-H401 WeakPolarHBondContact CA-O 3.27Å; V217-Q402 HydrophobicContact CG1-CB 4.35Å; V217-Q402 HydrophobicContact CG1-CG 4.07Å
218I96.2Very high92.5Very high9 Ų948.1 Ų48.15%0.04625%0.246CC..EExtended strand (participates in β ladder)trans-112.2125.1169.8-55.8-178.6000107.9I232 A233 W234 L277 T331 V400 H401I218-I232 HydrophobicContact CG2-CB 3.79Å; I218-I232 HydrophobicContact CG2-CD1 4.29Å; I218-I232 HydrophobicContact CG2-CG1 4.49Å; I218-I232 HydrophobicContact CG2-CG2 4.43Å; I218-A233 WeakPolarHBondContact CA-O 3.47Å; I218-W234 HydrophobicContact CG1-CB 4.37Å; I218-L277 HydrophobicContact CD1-CD1 3.77Å; I218-L277 HydrophobicContact CD1-CD2 4.35Å; I218-L277 HydrophobicContact CD1-CG 4.46Å; I218-T331 HydrophobicContact CD1-CG2 3.99Å; I218-T331 HydrophobicContact CG1-CG2 4.34Å; I218-T331 HydrophobicContact CG2-CG2 4.04Å; I218-V400 HydrophobicContact CB-CB 4.32Å; I218-V400 HydrophobicContact CG2-CB 4.09Å; I218-V400 HydrophobicContact CG2-CG1 4.42Å; I218-V400 WeakPolarHBondContact O-CB 3.34Å; I218-V400 PolarHBondContact O-N 3.2Å; I218-H401 HydrophobicContact CB-CB 4Å; I218-H401 HydrophobicContact CD1-CB 4.04Å; I218-H401 HydrophobicContact CG1-CB 4.11Å; I218-H401 PolarHBondContact N-O 2.74Å; I218-H401 PolarHBondContact O-N 3.48Å
219V97Very high93.2Very high0 Ų046.8 Ų46.80%024%0.239CC..EExtended strand (participates in β ladder)trans-118.9139.1-173.8-174.40000109.5V217 F221 I232 A233 L241 P303 L393 K398 L399V217-V219 HydrophobicContact CG2-CG2 4.18Å; V219-F221 HydrophobicContact CB-CE2 3.96Å; V219-F221 HydrophobicContact CB-CZ 4.4Å; V219-F221 HydrophobicContact CG1-CE2 4.11Å; V219-F221 HydrophobicContact CG1-CZ 4.3Å; V219-F221 WeakPolarHBondContact O-CD2 3.47Å; V219-F221 WeakPolarHBondContact O-CE2 3.34Å; V219-I232 WeakPolarHBondContact O-CA 3.47Å; V219-A233 PolarHBondContact N-O 3.4Å; V219-A233 PolarHBondContact O-N 2.89Å; V219-L241 HydrophobicContact CG2-CD1 3.78Å; V219-P303 HydrophobicContact CG1-CB 4.44Å; V219-L393 HydrophobicContact CG1-CD1 4.47Å; V219-L393 HydrophobicContact CG1-CD2 4.12Å; V219-L393 HydrophobicContact CG2-CD1 4.06Å; V219-K398 CarbonylContact C-O 3.59Å; V219-K398 WeakPolarHBondContact CA-O 3.24Å; V219-K398 HydrophobicContact CG1-CB 4.43Å; V219-L399 HydrophobicContact CG2-CD1 4.39Å
220S96.2Very high93.6Very high0 Ų041.2 Ų41.20%022%0.217CC..EExtended strand (participates in β ladder)trans-92.4140.5177.161.40000112.5M231 K398S220-M231 CarbonylContact C-O 3.58Å; S220-M231 WeakPolarHBondContact CA-O 3.37Å; S220-K398 PolarHBondContact N-O 3.15Å; S220-K398 WeakPolarHBondContact OG-CA 3.44Å; S220-K398 PolarHBondContact OG-O 2.99Å
221F97Very high94.1Very high0 Ų037.9 Ų37.90%020%0.202CC..EExtended strand (participates in β ladder)trans-12793179.4-59.8-101.5000108V219 L223 S230 M231 A233 L241 L247 Y300 P303 H335V219-F221 HydrophobicContact CB-CE2 3.96Å; V219-F221 HydrophobicContact CB-CZ 4.4Å; V219-F221 HydrophobicContact CG1-CE2 4.11Å; V219-F221 HydrophobicContact CG1-CZ 4.3Å; V219-F221 WeakPolarHBondContact O-CD2 3.47Å; V219-F221 WeakPolarHBondContact O-CE2 3.34Å; F221-L223 PolarHBondContact O-N 2.91Å; F221-S230 CarbonylContact O-C 3.59Å; F221-S230 WeakPolarHBondContact O-CA 3.31Å; F221-M231 HydrophobicContact CB-CB 4.27Å; F221-M231 PolarHBondContact N-O 2.85Å; F221-M231 PolarHBondContact O-N 3.49Å; F221-A233 HydrophobicContact CD2-CB 4.28Å; F221-A233 HydrophobicContact CE2-CB 3.64Å; F221-A233 HydrophobicContact CZ-CB 4.36Å; F221-L241 HydrophobicContact CZ-CD2 4.2Å; F221-L247 HydrophobicContact CB-CD1 3.97Å; F221-L247 HydrophobicContact CD1-CD1 4.44Å; F221-L247 HydrophobicContact CD1-CD2 4.24Å; F221-L247 HydrophobicContact CD2-CD1 4.31Å; F221-L247 HydrophobicContact CD2-CD2 4.21Å; F221-L247 HydrophobicContact CE1-CD2 4.1Å; F221-L247 HydrophobicContact CE2-CD2 4.15Å; F221-L247 HydrophobicContact CG-CD1 4.01Å; F221-L247 HydrophobicContact CG-CD2 4.28Å; F221-L247 HydrophobicContact CZ-CD2 4.08Å; F221-Y300 HydrophobicContact CB-CD2 3.86Å; F221-Y300 HydrophobicContact CB-CE2 4.46Å; F221-Y300 HydrophobicContact CB-CG 4.29Å; F221-Y300 AromaticContact CD1-CD2 3.75Å; F221-Y300 HydrophobicContact CD1-CD2 3.75Å; F221-Y300 AromaticContact CD1-CE2 3.53Å; F221-Y300 HydrophobicContact CD1-CE2 3.53Å; F221-Y300 HydrophobicContact CE1-CE2 4.21Å; F221-Y300 HydrophobicContact CG-CD2 4.26Å; F221-Y300 HydrophobicContact CG-CE2 4.39Å; F221-P303 VanDerWaalsContact CE1-CD 3.45Å; F221-P303 HydrophobicContact CE1-CG 3.87Å; F221-P303 HydrophobicContact CZ-CG 4.44Å; F221-H335 HydrophobicContact CZ-CB 4.34Å
222P96.3Very high94.4Very high12 Ų1232 Ų328%0.07817%0.171CC..EExtended strand (participates in β ladder)trans-57.5135.3179.4-23.633.4000111.8S230 Y300 Q301P222-S230 WeakPolarHBondContact CA-OG 3.12Å; P222-Y300 CarbonylContact O-C 3.34Å; P222-Y300 VanDerWaalsContact O-CA 3.27Å; P222-Y300 WeakPolarHBondContact O-CA 3.26Å; P222-Y300 WeakPolarHBondContact O-CB 3.21Å; P222-Q301 HydrophobicContact CB-CB 4.41Å; P222-Q301 PolarHBondContact O-N 2.78Å
223L96.3Very high94.7Very high6 Ų630.8 Ų30.83%0.03116%0.164CC..BIsolated β-bridgetrans-74.8145.4175.3-64.5175.2000110.4F221 N225 D226 P227 T229 M231 I268 M295 I319F221-L223 PolarHBondContact O-N 2.91Å; L223-N225 WeakPolarHBondContact CB-OD1 3.37Å; L223-D226 CarbonylContact O-C 3.58Å; L223-P227 WeakPolarHBondContact O-CA 3.19Å; L223-T229 HydrophobicContact CD1-CG2 4.14Å; L223-T229 PolarHBondContact N-O 3.48Å; L223-M231 HydrophobicContact CD2-CG 3.89Å; L223-I268 HydrophobicContact CD1-CD1 4.06Å; L223-M295 HydrophobicContact CD1-CE 4.07Å; L223-I319 HydrophobicContact CD2-CD1 4.15Å
224D94.2Very high94.9Very high54 Ų5427 Ų2729%0.28914%0.143SC..SBendtrans-74.2-31.3178.6-59.7-58.7000112.8T299 Y300 Q301 K311D224-T299 PolarHBondContact N-O 3.12Å; D224-T299 WeakPolarHBondContact OD2-CB 3.33Å; D224-T299 PolarHBondContact OD2-OG1 3.42Å; D224-Y300 PolarHBondContact OD2-N 3.46Å; D224-Q301 WeakPolarHBondContact OD1-CG 3.48Å; D224-K311 VanDerWaalsContact CG-NZ 3.26Å; D224-K311 IonicContact OD1-NZ 2.93Å; D224-K311 PolarHBondContact OD1-NZ 3.35Å; D224-K311 WeakPolarHBondContact OD2-CE 3.32Å; D224-K311 IonicContact OD2-NZ 2.69Å; D224-K311 PolarHBondContact OD2-NZ 3.35Å
225N92.8Very high95.1Very high108 Ų10826.8 Ų26.858%0.57814%0.143SC*.SBendtrans-80.3-20.7179.767.7-24.6000113.2L223L223-N225 WeakPolarHBondContact CB-OD1 3.37Å
226D93.3Very high95.1Very high41 Ų4126.3 Ų26.322%0.21914%0.139CC..  trans-146.184.3175.8179.77.2000109.6L223 E228 T229 K257L223-D226 CarbonylContact O-C 3.58Å; D226-E228 PolarHBondContact O-N 3.33Å; D226-E228 VanDerWaalsContact O-N 3.12Å; D226-E228 PolarHBondContact OD1-N 2.96Å; D226-T229 VanDerWaalsContact CG-OG1 3.29Å; D226-T229 PolarHBondContact O-N 3.17Å; D226-T229 VanDerWaalsContact O-O 3.05Å; D226-T229 WeakPolarHBondContact OD2-CB 3.34Å; D226-T229 PolarHBondContact OD2-OG1 3.35Å; D226-K257 IonicContact OD2-NZ 2.75Å; D226-K257 PolarHBondContact OD2-NZ 2.98Å
227P88.9Confident95.1Very high83 Ų8327.1 Ų27.154%0.53914%0.143SC..THydrogen-bonded Turntrans-62-18.6-176.3-25.335.1000114.9L223L223-P227 WeakPolarHBondContact O-CA 3.19Å
228E90.8Very high95.1Very high130 Ų13027.1 Ų27.161%0.60714%0.143SC*.THydrogen-bonded Turntrans-75-17.1173.9-65-160.7152.700112.8D226 K266D226-E228 PolarHBondContact O-N 3.33Å; D226-E228 VanDerWaalsContact O-N 3.12Å; D226-E228 PolarHBondContact OD1-N 2.96Å; E228-K266 HydrophobicContact CB-CD 4.39Å; E228-K266 PolarHBondContact O-N 3.37Å; E228-K266 IonicContact OE2-NZ 2.62Å; E228-K266 PolarHBondContact OE2-NZ 2.94Å
229T94.7Very high95Very high0 Ų026.9 Ų26.90%014%0.142CC..EExtended strand (participates in β ladder)trans-106.6129179.4-58.10000110.5L223 D226 K257 K266 I268L223-T229 HydrophobicContact CD1-CG2 4.14Å; L223-T229 PolarHBondContact N-O 3.48Å; D226-T229 VanDerWaalsContact CG-OG1 3.29Å; D226-T229 PolarHBondContact O-N 3.17Å; D226-T229 VanDerWaalsContact O-O 3.05Å; D226-T229 WeakPolarHBondContact OD2-CB 3.34Å; D226-T229 PolarHBondContact OD2-OG1 3.35Å; T229-K257 HydrophobicContact CG2-CD 4.2Å; T229-K257 HydrophobicContact CG2-CG 4.32Å; T229-K257 WeakPolarHBondContact OG1-CE 3.48Å; T229-K257 PolarHBondContact OG1-NZ 2.89Å; T229-K266 WeakPolarHBondContact CA-O 3.24Å; T229-K266 HydrophobicContact CG2-CB 4.2Å; T229-K266 WeakPolarHBondContact OG1-CB 3.27Å; T229-K266 WeakPolarHBondContact OG1-CD 3.2Å; T229-I268 HydrophobicContact CG2-CD1 3.65Å; T229-I268 HydrophobicContact CG2-CG1 3.85Å
230S96.3Very high95Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-121138178-56.30000111.6F221 P222 K266 F267 I268F221-S230 CarbonylContact O-C 3.59Å; F221-S230 WeakPolarHBondContact O-CA 3.31Å; P222-S230 WeakPolarHBondContact CA-OG 3.12Å; S230-K266 PolarHBondContact N-O 2.97Å; S230-F267 CarbonylContact O-C 3.54Å; S230-F267 VanDerWaalsContact O-CA 3.27Å; S230-F267 WeakPolarHBondContact O-CA 3.42Å; S230-I268 PolarHBondContact O-N 2.96Å
231M96.6Very high95Very high0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-67.7145.6160.8-60.9-63.7-66.500108.7S220 F221 L223 L247 M249 I268 M295 I319 V333S220-M231 CarbonylContact C-O 3.58Å; S220-M231 WeakPolarHBondContact CA-O 3.37Å; F221-M231 HydrophobicContact CB-CB 4.27Å; F221-M231 PolarHBondContact N-O 2.85Å; F221-M231 PolarHBondContact O-N 3.49Å; L223-M231 HydrophobicContact CD2-CG 3.89Å; M231-L247 HydrophobicContact CB-CD1 3.62Å; M231-L247 HydrophobicContact CG-CD1 3.96Å; M231-M249 HydrophobicContact CE-CE 3.9Å; M231-M249 HydrophobicContact CE-CG 4.25Å; M231-M249 HydrophobicContact CE-SD 3.41Å; M231-M249 WeakPolarHBondContact CE-SD 3.45Å; M231-I268 HydrophobicContact CE-CB 4.32Å; M231-I268 HydrophobicContact CE-CG2 3.79Å; M231-I268 HydrophobicContact SD-CB 3.5Å; M231-I268 WeakPolarHBondContact SD-CB 3.32Å; M231-I268 HydrophobicContact SD-CD1 3.85Å; M231-I268 HydrophobicContact SD-CG1 4.26Å; M231-I268 HydrophobicContact SD-CG2 3.47Å; M231-I268 WeakPolarHBondContact SD-CG2 3.47Å; M231-M295 HydrophobicContact SD-CE 3.94Å; M231-I319 HydrophobicContact CE-CD1 4.07Å; M231-I319 HydrophobicContact CG-CD1 3.92Å; M231-I319 HydrophobicContact SD-CD1 3.88Å; M231-V333 HydrophobicContact CE-CB 4.49Å; M231-V333 HydrophobicContact CE-CG1 3.95Å; M231-V333 HydrophobicContact CE-CG2 3.68Å
232I96.7Very high94.8Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-119.5121.9172.655.4167.7000110.8I218 V219 F267 I268 M269 L277 T331 V333 V400I218-I232 HydrophobicContact CG2-CB 3.79Å; I218-I232 HydrophobicContact CG2-CD1 4.29Å; I218-I232 HydrophobicContact CG2-CG1 4.49Å; I218-I232 HydrophobicContact CG2-CG2 4.43Å; V219-I232 WeakPolarHBondContact O-CA 3.47Å; I232-F267 HydrophobicContact CD1-CB 4.19Å; I232-F267 HydrophobicContact CG1-CB 4.35Å; I232-F267 HydrophobicContact CG2-CB 4.13Å; I232-F267 HydrophobicContact CG2-CD1 3.44Å; I232-F267 VanDerWaalsContact CG2-CD1 3.44Å; I232-F267 HydrophobicContact CG2-CE1 3.97Å; I232-F267 HydrophobicContact CG2-CG 3.83Å; I232-I268 WeakPolarHBondContact CG1-O 3.23Å; I232-I268 PolarHBondContact N-O 3.09Å; I232-M269 HydrophobicContact CD1-CB 3.97Å; I232-M269 HydrophobicContact CD1-CG 4.36Å; I232-M269 HydrophobicContact CD1-SD 3.87Å; I232-M269 HydrophobicContact CG1-CB 3.86Å; I232-L277 HydrophobicContact CD1-CD2 3.64Å; I232-T331 HydrophobicContact CD1-CG2 4.28Å; I232-T331 HydrophobicContact CG1-CG2 4.31Å; I232-T331 WeakPolarHBondContact O-CB 3.24Å; I232-T331 PolarHBondContact O-OG1 2.82Å; I232-V333 WeakPolarHBondContact O-CB 3.41Å; I232-V400 HydrophobicContact CG2-CG2 3.96Å
233A97.1Very high94.8Very high2 Ų227.2 Ų27.22%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-114.5144.7177.900000110.5I218 V219 F221 L247 V333 H335I218-A233 WeakPolarHBondContact CA-O 3.47Å; V219-A233 PolarHBondContact N-O 3.4Å; V219-A233 PolarHBondContact O-N 2.89Å; F221-A233 HydrophobicContact CD2-CB 4.28Å; F221-A233 HydrophobicContact CE2-CB 3.64Å; F221-A233 HydrophobicContact CZ-CB 4.36Å; A233-L247 HydrophobicContact CB-CD2 4.08Å; A233-V333 WeakPolarHBondContact CA-O 3.45Å; A233-V333 HydrophobicContact CB-CB 4.49Å; A233-V333 HydrophobicContact CB-CG1 4.26Å; A233-V333 WeakPolarHBondContact CB-O 3.44Å; A233-H335 HydrophobicContact CB-CB 4.15Å
234W96.1Very high94.7Very high65 Ų6527.1 Ų27.125%0.24614%0.144CC..EExtended strand (participates in β ladder)trans-100.1144.6175.9170.781000111S216 V217 I218 T236 V329 T331S216-W234 PolarHBondContact OG-NE1 2.77Å; V217-W234 WeakPolarHBondContact O-CA 3.38Å; I218-W234 HydrophobicContact CG1-CB 4.37Å; W234-T236 HydrophobicContact CH2-CG2 3.69Å; W234-T236 HydrophobicContact CZ2-CG2 3.36Å; W234-V329 HydrophobicContact CE3-CG1 4.34Å; W234-V329 HydrophobicContact CH2-CG1 3.75Å; W234-V329 HydrophobicContact CZ3-CG1 3.59Å; W234-T331 HydrophobicContact CB-CG2 4.11Å
235T95.4Very high94.8Very high11 Ų1124.8 Ų24.87%0.06713%0.131CC..EExtended strand (participates in β ladder)trans-151.6149.9171.7-1770000111.7V217 T237 L241V217-T235 HydrophobicContact CG2-CG2 3.66Å; V217-T235 PolarHBondContact N-O 2.81Å; V217-T235 PolarHBondContact O-N 3.01Å; T235-T237 PolarHBondContact OG1-N 2.83Å; T235-T237 PolarHBondContact OG1-OG1 2.84Å; T235-L241 HydrophobicContact CG2-CD1 4.09Å; T235-L241 HydrophobicContact CG2-CD2 4.12Å; T235-L241 HydrophobicContact CG2-CG 4.13Å
236T94Very high95Very high21 Ų2119.6 Ų19.613%0.12910%0.103CC..SBendtrans-96.8-5.2168.9530000113.7P215 W234 P238 I405P215-T236 CarbonylContact O-C 3.6Å; P215-T236 WeakPolarHBondContact O-CA 3.47Å; W234-T236 HydrophobicContact CH2-CG2 3.69Å; W234-T236 HydrophobicContact CZ2-CG2 3.36Å; T236-P238 VanDerWaalsContact C-CD 3.47Å; T236-P238 WeakPolarHBondContact O-CD 3.36Å; T236-I405 HydrophobicContact CG2-CG2 3.83Å
237T94.5Very high95.2Very high27 Ų2717.7 Ų17.717%0.1669%0.093CC..  trans-122.471.8-177490000111T235 W239 T240T235-T237 PolarHBondContact OG1-N 2.83Å; T235-T237 PolarHBondContact OG1-OG1 2.84Å; T237-W239 PolarHBondContact O-N 3.15Å; T237-T240 PolarHBondContact O-N 3.38Å; T237-T240 PolarHBondContact O-OG1 2.97Å; T237-T240 PolarHBondContact OG1-OG1 2.98Å; T237-T240 VanDerWaalsContact OG1-OG1 3.09Å
238P96Very high95.7Very high0 Ų013.7 Ų13.70%07%0.067CC..G310 helixtrans-49.3-36-179.2-23.628.7000114P215 V217 T236 T240 L241 D386 I389P215-P238 HydrophobicContact CB-CG 3.93Å; P215-P238 HydrophobicContact CG-CG 4.29Å; V217-P238 HydrophobicContact CG2-CB 4.49Å; V217-P238 HydrophobicContact CG2-CG 3.98Å; T236-P238 VanDerWaalsContact C-CD 3.47Å; T236-P238 WeakPolarHBondContact O-CD 3.36Å; P238-T240 PolarHBondContact O-N 3.38Å; P238-T240 VanDerWaalsContact O-N 3.13Å; P238-L241 HydrophobicContact CB-CD1 4.43Å; P238-L241 WeakPolarHBondContact O-CB 3.42Å; P238-L241 WeakPolarHBondContact O-CG 3.36Å; P238-L241 PolarHBondContact O-N 3.41Å; P238-D386 HydrophobicContact CB-CB 4.38Å; P238-D386 WeakPolarHBondContact CB-OD1 3.45Å; P238-D386 VanDerWaalsContact CD-OD1 3.24Å; P238-D386 WeakPolarHBondContact CD-OD1 3.46Å; P238-D386 HydrophobicContact CG-CB 4.26Å; P238-I389 HydrophobicContact CB-CG2 4.01Å
239W95.7Very high96Very high5 Ų57.5 Ų7.52%0.0194%0.038CC..G310 helixtrans-56.2-26.7177.372.3-94.8000114.5T237 L241 V242 F340 V364 F370 V382 D386 I389 I420T237-W239 PolarHBondContact O-N 3.15Å; W239-L241 VanDerWaalsContact C-N 3.32Å; W239-L241 PolarHBondContact O-N 3.48Å; W239-V242 WeakPolarHBondContact O-CG2 3.46Å; W239-F340 HydrophobicContact CH2-CB 4.16Å; W239-F340 AromaticContact CH2-CD1 3.42Å; W239-F340 HydrophobicContact CH2-CD1 3.42Å; W239-F340 VanDerWaalsContact CH2-CD1 3.42Å; W239-F340 AromaticContact CH2-CE1 3.93Å; W239-F340 HydrophobicContact CH2-CE1 3.93Å; W239-F340 AromaticContact CH2-CG 3.83Å; W239-F340 HydrophobicContact CH2-CG 3.83Å; W239-F340 AromaticContact CZ3-CD1 3.54Å; W239-F340 HydrophobicContact CZ3-CD1 3.54Å; W239-F340 HydrophobicContact CZ3-CD2 4.33Å; W239-F340 AromaticContact CZ3-CE1 3.61Å; W239-F340 HydrophobicContact CZ3-CE1 3.61Å; W239-F340 HydrophobicContact CZ3-CE2 4.41Å; W239-F340 AromaticContact CZ3-CG 3.91Å; W239-F340 HydrophobicContact CZ3-CG 3.91Å; W239-F340 HydrophobicContact CZ3-CZ 4.05Å; W239-V364 HydrophobicContact CZ3-CG2 4.32Å; W239-F370 HydrophobicContact CB-CZ 4.12Å; W239-V382 HydrophobicContact CB-CB 4.05Å; W239-V382 WeakPolarHBondContact CB-O 3.26Å; W239-V382 HydrophobicContact CD2-CB 3.77Å; W239-V382 HydrophobicContact CD2-CG1 4.1Å; W239-V382 HydrophobicContact CD2-CG2 4.34Å; W239-V382 HydrophobicContact CE3-CB 3.88Å; W239-V382 HydrophobicContact CE3-CG1 3.66Å; W239-V382 HydrophobicContact CG-CB 3.86Å; W239-V382 HydrophobicContact CZ3-CG1 4.16Å; W239-D386 WeakPolarHBondContact CB-OD1 3.4Å; W239-D386 PolarHBondContact N-OD1 3.01Å; W239-I389 HydrophobicContact CB-CD1 4.19Å; W239-I420 HydrophobicContact CH2-CB 4.27Å; W239-I420 HydrophobicContact CH2-CG2 4.43Å; W239-I420 HydrophobicContact CZ2-CB 4.15Å; W239-I420 HydrophobicContact CZ2-CG2 3.99Å
240T95.8Very high96.1Very high8 Ų88.7 Ų8.75%0.0494%0.044CC..G310 helixtrans-75.6-18.1176.657.90000113.3T237 P238 V242 S243 H335 F340T237-T240 PolarHBondContact O-N 3.38Å; T237-T240 PolarHBondContact O-OG1 2.97Å; T237-T240 PolarHBondContact OG1-OG1 2.98Å; T237-T240 VanDerWaalsContact OG1-OG1 3.09Å; P238-T240 PolarHBondContact O-N 3.38Å; P238-T240 VanDerWaalsContact O-N 3.13Å; T240-V242 VanDerWaalsContact C-N 3.26Å; T240-V242 PolarHBondContact O-N 2.95Å; T240-S243 CarbonylContact O-C 3.42Å; T240-S243 WeakPolarHBondContact O-CA 3.23Å; T240-S243 PolarHBondContact O-N 3.1Å; T240-H335 PolarHBondContact O-CE1 3.22Å; T240-H335 PolarHBondContact OG1-NE2 3.46Å; T240-H335 VanDerWaalsContact OG1-NE2 3.1Å; T240-F340 HydrophobicContact CG2-CB 4.13Å; T240-F340 HydrophobicContact CG2-CG 4.43Å
241L96.1Very high96.1Very high2 Ų29.1 Ų9.11%0.015%0.046CC..G310 helixtrans-64-28.2-177.1-69.2167000113.5V219 F221 T235 P238 W239 S243 N244 P303 F304 H335 L393V219-L241 HydrophobicContact CG2-CD1 3.78Å; F221-L241 HydrophobicContact CZ-CD2 4.2Å; T235-L241 HydrophobicContact CG2-CD1 4.09Å; T235-L241 HydrophobicContact CG2-CD2 4.12Å; T235-L241 HydrophobicContact CG2-CG 4.13Å; P238-L241 HydrophobicContact CB-CD1 4.43Å; P238-L241 WeakPolarHBondContact O-CB 3.42Å; P238-L241 WeakPolarHBondContact O-CG 3.36Å; P238-L241 PolarHBondContact O-N 3.41Å; W239-L241 VanDerWaalsContact C-N 3.32Å; W239-L241 PolarHBondContact O-N 3.48Å; L241-S243 PolarHBondContact O-N 2.82Å; L241-N244 WeakPolarHBondContact O-CB 3.41Å; L241-N244 PolarHBondContact O-N 3.44Å; L241-P303 HydrophobicContact CB-CG 4.4Å; L241-F304 HydrophobicContact CB-CE2 4.23Å; L241-H335 HydrophobicContact CD2-CB 4.5Å; L241-L393 HydrophobicContact CD1-CD1 3.64Å
242V94.3Very high96.1Very high5 Ų513 Ų133%0.037%0.067CC..G310 helixtrans-64.5-22.2174.9-55.60000112W239 T240 F304 Y306 F307 F370 I374 F377 I389W239-V242 WeakPolarHBondContact O-CG2 3.46Å; T240-V242 VanDerWaalsContact C-N 3.26Å; T240-V242 PolarHBondContact O-N 2.95Å; V242-F304 HydrophobicContact CB-CD2 4.32Å; V242-F304 HydrophobicContact CG1-CD2 3.84Å; V242-F304 HydrophobicContact CG1-CE2 3.85Å; V242-F304 HydrophobicContact CG1-CG 4.2Å; V242-F304 HydrophobicContact CG1-CZ 4.23Å; V242-Y306 HydrophobicContact CB-CD2 4.37Å; V242-Y306 HydrophobicContact CB-CE2 4.41Å; V242-Y306 HydrophobicContact CG1-CE2 4.33Å; V242-F307 WeakPolarHBondContact O-CD2 3.25Å; V242-F307 WeakPolarHBondContact O-CE2 3.28Å; V242-F370 HydrophobicContact CG2-CD1 4.35Å; V242-F370 HydrophobicContact CG2-CE1 3.5Å; V242-F370 VanDerWaalsContact CG2-CE1 3.5Å; V242-F370 HydrophobicContact CG2-CZ 3.91Å; V242-I374 HydrophobicContact CB-CD1 4.36Å; V242-I374 HydrophobicContact CG1-CG2 4.42Å; V242-I374 HydrophobicContact CG2-CD1 4.33Å; V242-F377 HydrophobicContact CG1-CD2 4.27Å; V242-F377 HydrophobicContact CG1-CE2 4.21Å; V242-I389 HydrophobicContact CG1-CD1 4.17Å
243S94.3Very high96.1Very high4 Ų415.8 Ų15.83%0.0288%0.079CC..G310 helixtrans-105.918.7179.4-55.20000112.7T240 L241 L245 F340 P363T240-S243 CarbonylContact O-C 3.42Å; T240-S243 WeakPolarHBondContact O-CA 3.23Å; T240-S243 PolarHBondContact O-N 3.1Å; L241-S243 PolarHBondContact O-N 2.82Å; S243-L245 PolarHBondContact O-N 3.24Å; S243-F340 WeakPolarHBondContact OG-CE2 3.41Å; S243-P363 WeakPolarHBondContact OG-CG 3.3Å
244N96.1Very high96.1Very high4 Ų420.1 Ų20.12%0.02110%0.099CC..  trans-65.1132.3176.2175.4-118.5000111.5L241 A246 Y300 P303 F317 H335 Q336L241-N244 WeakPolarHBondContact O-CB 3.41Å; L241-N244 PolarHBondContact O-N 3.44Å; N244-A246 PolarHBondContact ND2-O 2.88Å; N244-Y300 WeakPolarHBondContact OD1-CE2 3.29Å; N244-Y300 PolarHBondContact OD1-OH 2.71Å; N244-P303 HydrophobicContact CB-CG 4.4Å; N244-F317 WeakPolarHBondContact O-CE1 3.45Å; N244-H335 WeakPolarHBondContact CB-ND1 3.5Å; N244-H335 PolarHBondContact ND2-ND1 3.47Å; N244-Q336 CarbonylContact C-O 3.5Å; N244-Q336 WeakPolarHBondContact CA-O 3.38Å; N244-Q336 PolarHBondContact ND2-N 3.11Å; N244-Q336 PolarHBondContact ND2-O 3.44Å; N244-Q336 VanDerWaalsContact ND2-O 3.11Å
245L95.6Very high96.2Very high4 Ų417 Ų172%0.0219%0.087CC..  trans-128.5-14.2175.9-63.8-177.8000114.5S243 F307 L310 A316 F317 Q336 P338 Y339 I353S243-L245 PolarHBondContact O-N 3.24Å; L245-F307 HydrophobicContact CD2-CB 4.45Å; L245-L310 HydrophobicContact CD1-CD1 4.39Å; L245-L310 HydrophobicContact CD2-CD1 3.52Å; L245-A316 HydrophobicContact CD2-CB 4.42Å; L245-F317 HydrophobicContact CD2-CE1 4.33Å; L245-F317 HydrophobicContact CD2-CZ 4.09Å; L245-F317 WeakPolarHBondContact O-CA 3.34Å; L245-F317 PolarHBondContact O-N 3.19Å; L245-Q336 PolarHBondContact N-O 3.11Å; L245-P338 HydrophobicContact CB-CG 4.41Å; L245-P338 HydrophobicContact CD1-CG 3.74Å; L245-P338 HydrophobicContact CG-CG 4.4Å; L245-Y339 HydrophobicContact CD1-CE2 4.43Å; L245-I353 HydrophobicContact CB-CG2 4Å; L245-I353 HydrophobicContact CD1-CG2 4.37Å
246A97.3Very high96.3Very high0 Ų016.6 Ų16.60%09%0.085CC..EExtended strand (participates in β ladder)trans-154.5172.2174.900000111.8N244 Y300 R318 L320 Q336 I353N244-A246 PolarHBondContact ND2-O 2.88Å; A246-Y300 WeakPolarHBondContact CA-OH 3.49Å; A246-Y300 PolarHBondContact N-OH 3Å; A246-Y300 PolarHBondContact O-OH 2.64Å; A246-R318 WeakPolarHBondContact CA-O 3.39Å; A246-R318 WeakPolarHBondContact CB-O 3.43Å; A246-L320 HydrophobicContact CB-CD1 3.74Å; A246-L320 HydrophobicContact CB-CG 4.02Å; A246-Q336 HydrophobicContact CB-CB 3.9Å; A246-Q336 HydrophobicContact CB-CG 4.07Å; A246-Q336 WeakPolarHBondContact O-CB 3.42Å; A246-Q336 PolarHBondContact O-N 2.88Å; A246-I353 HydrophobicContact CB-CD1 3.72Å
247L98Very high96.4Very high0 Ų017.7 Ų17.70%09%0.088CC..EExtended strand (participates in β ladder)trans-117.1144.3162.6-65.9177.4000108.1F221 M231 A233 Y300 R318 I319 L320 V333 V334 H335F221-L247 HydrophobicContact CB-CD1 3.97Å; F221-L247 HydrophobicContact CD1-CD1 4.44Å; F221-L247 HydrophobicContact CD1-CD2 4.24Å; F221-L247 HydrophobicContact CD2-CD1 4.31Å; F221-L247 HydrophobicContact CD2-CD2 4.21Å; F221-L247 HydrophobicContact CE1-CD2 4.1Å; F221-L247 HydrophobicContact CE2-CD2 4.15Å; F221-L247 HydrophobicContact CG-CD1 4.01Å; F221-L247 HydrophobicContact CG-CD2 4.28Å; F221-L247 HydrophobicContact CZ-CD2 4.08Å; M231-L247 HydrophobicContact CB-CD1 3.62Å; M231-L247 HydrophobicContact CG-CD1 3.96Å; A233-L247 HydrophobicContact CB-CD2 4.08Å; L247-Y300 HydrophobicContact CB-CE1 4.22Å; L247-Y300 HydrophobicContact CD1-CD1 4.02Å; L247-Y300 HydrophobicContact CD1-CE1 4.02Å; L247-Y300 HydrophobicContact CD1-CG 4.33Å; L247-Y300 HydrophobicContact CG-CD1 4.19Å; L247-Y300 HydrophobicContact CG-CE1 3.66Å; L247-Y300 HydrophobicContact CG-CE2 4.45Å; L247-R318 PolarHBondContact N-O 2.96Å; L247-I319 HydrophobicContact CB-CG1 4.44Å; L247-I319 CarbonylContact O-C 3.54Å; L247-I319 WeakPolarHBondContact O-CA 3.1Å; L247-L320 PolarHBondContact O-N 2.93Å; L247-V333 HydrophobicContact CB-CG1 4.15Å; L247-V333 HydrophobicContact CD1-CG1 4.27Å; L247-V333 HydrophobicContact CD2-CG1 4.34Å; L247-V333 HydrophobicContact CG-CG1 4.49Å; L247-V334 CarbonylContact C-O 3.48Å; L247-V334 WeakPolarHBondContact CA-O 3.41Å; L247-H335 HydrophobicContact CD2-CB 4.19Å
248C97.8Very high96.5Very high0 Ų016.4 Ų16.40%08%0.08CC..EExtended strand (participates in β ladder)trans-116.9138.2175.5-164.70000111.3L320 D322 Y324 V325 V334 Q336C248-L320 WeakPolarHBondContact CA-O 3.35Å; C248-D322 PolarHBondContact SG-N 3.07Å; C248-Y324 HydrophobicContact CB-CE1 4.13Å; C248-V325 HydrophobicContact CB-CG2 4.16Å; C248-V334 PolarHBondContact N-O 3.24Å; C248-V334 PolarHBondContact O-N 3.07Å; C248-Q336 HydrophobicContact CB-CG 3.96Å
249M97.4Very high96.5Very high0 Ų018.3 Ų18.30%09%0.09CC..EExtended strand (participates in β ladder)trans-125.2158.4175.5-65.5174.676.100109.6M231 Y255 M295 I319 L320 C321 D322 V333M231-M249 HydrophobicContact CE-CE 3.9Å; M231-M249 HydrophobicContact CE-CG 4.25Å; M231-M249 HydrophobicContact CE-SD 3.41Å; M231-M249 WeakPolarHBondContact CE-SD 3.45Å; M249-Y255 WeakPolarHBondContact CA-OH 3.33Å; M249-Y255 HydrophobicContact CB-CE1 4.42Å; M249-Y255 HydrophobicContact CB-CE2 4.16Å; M249-Y255 WeakPolarHBondContact CB-OH 3.48Å; M249-Y255 HydrophobicContact CE-CD1 3.18Å; M249-Y255 HydrophobicContact CE-CD2 3.46Å; M249-Y255 VanDerWaalsContact CE-CD2 3.46Å; M249-Y255 HydrophobicContact CE-CE1 3.35Å; M249-Y255 HydrophobicContact CE-CE2 3.62Å; M249-Y255 HydrophobicContact CE-CG 3.23Å; M249-Y255 HydrophobicContact CG-CE1 4.15Å; M249-M295 HydrophobicContact CE-CB 4.37Å; M249-M295 HydrophobicContact CE-CG 4.18Å; M249-M295 HydrophobicContact SD-CB 3.88Å; M249-M295 HydrophobicContact SD-CG 4.29Å; M249-I319 HydrophobicContact CG-CG2 4.02Å; M249-I319 HydrophobicContact SD-CD1 4.44Å; M249-I319 HydrophobicContact SD-CG2 3.5Å; M249-I319 WeakPolarHBondContact SD-CG2 3.39Å; M249-L320 PolarHBondContact N-O 3.34Å; M249-C321 VanDerWaalsContact O-CA 3.23Å; M249-C321 WeakPolarHBondContact O-CA 3.49Å; M249-D322 PolarHBondContact O-N 2.86Å; M249-D322 VanDerWaalsContact O-N 3.07Å; M249-V333 HydrophobicContact CG-CG1 4.45Å; M249-V333 HydrophobicContact CG-CG2 4.33Å
250H97.6Very high96.3Very high24 Ų2418.2 Ų18.211%0.1119%0.09CC..  trans-79.5130.9168.8-170.2-66.8000109.3D252 K253 Y255 M270 G292 V325H250-D252 IonicContact CE1-OD2 3.4Å; H250-D252 PolarHBondContact ND1-N 3.29Å; H250-D252 PolarHBondContact O-N 3.38Å; H250-K253 HydrophobicContact CB-CB 4.07Å; H250-K253 HydrophobicContact CB-CG 3.67Å; H250-Y255 PolarHBondContact N-OH 2.97Å; H250-M270 HydrophobicContact CB-CE 4.39Å; H250-G292 WeakPolarHBondContact O-CA 3.38Å; H250-V325 HydrophobicContact CB-CB 4.18Å; H250-V325 HydrophobicContact CB-CG1 4.49Å; H250-V325 PolarHBondContact CD2-O 2.81Å
251P96.6Very high96Very high9 Ų921.7 Ų21.76%0.05811%0.111CC..THydrogen-bonded Turntrans-60.4-42.3-174.820.4-31.9000113.2G292 R293 C321 T323P251-G292 PolarHBondContact O-N 2.82Å; P251-R293 HydrophobicContact CB-CB 4.25Å; P251-R293 WeakPolarHBondContact O-CB 3.12Å; P251-R293 PolarHBondContact O-N 3.08Å; P251-C321 HydrophobicContact CB-CB 4.05Å; P251-C321 HydrophobicContact CG-CB 4.47Å; P251-T323 HydrophobicContact CG-CG2 4.23Å
252D96.6Very high95.6Very high82 Ų8226.3 Ų26.344%0.43914%0.144SC..THydrogen-bonded Turntrans-97.1-6.5-170.8-54.4-56.2000115.9H250H250-D252 IonicContact CE1-OD2 3.4Å; H250-D252 PolarHBondContact ND1-N 3.29Å; H250-D252 PolarHBondContact O-N 3.38Å
253K96.1Very high95.2Very high59 Ų5930.5 Ų30.526%0.25716%0.161SC..SBendtrans-82.6155.2-179.2-61.9-44.7-164.4149.20111.7H250 Y255 M270 K291 G292 E327H250-K253 HydrophobicContact CB-CB 4.07Å; H250-K253 HydrophobicContact CB-CG 3.67Å; K253-Y255 HydrophobicContact CB-CE2 4.21Å; K253-Y255 VanDerWaalsContact O-CD2 3.31Å; K253-Y255 WeakPolarHBondContact O-CD2 3.47Å; K253-M270 HydrophobicContact CB-CE 3.86Å; K253-M270 HydrophobicContact CB-SD 4.49Å; K253-M270 HydrophobicContact CG-CE 4.05Å; K253-K291 WeakPolarHBondContact O-CA 3.3Å; K253-G292 PolarHBondContact O-N 3.3Å; K253-G292 VanDerWaalsContact O-N 3.07Å; K253-E327 HydrophobicContact CD-CG 4.25Å; K253-E327 WeakPolarHBondContact CD-OE1 3.5Å; K253-E327 VanDerWaalsContact CE-CD 3.45Å; K253-E327 VanDerWaalsContact CE-OE1 3.23Å; K253-E327 WeakPolarHBondContact CE-OE1 3.02Å; K253-E327 HydrophobicContact CG-CG 4.24Å; K253-E327 IonicContact NZ-OE1 2.83Å; K253-E327 PolarHBondContact NZ-OE1 3.24Å; K253-E327 IonicContact NZ-OE2 3.79Å; K253-E327 PolarHBondContact NZ-OE2 3.44Å
254E97Very high94.9Very high92 Ų9236.4 Ų36.443%0.4319%0.193SC..EExtended strand (participates in β ladder)trans-81.8129.9177.4-72.5-164.914600112.1M270 K271 T289 F290E254-M270 WeakPolarHBondContact O-CG 3.35Å; E254-K271 HydrophobicContact CB-CB 4.27Å; E254-K271 HydrophobicContact CB-CD 4.24Å; E254-K271 PolarHBondContact O-N 3.13Å; E254-K271 VanDerWaalsContact OE2-CD 3.3Å; E254-K271 WeakPolarHBondContact OE2-CD 3.46Å; E254-K271 IonicContact OE2-NZ 2.81Å; E254-K271 PolarHBondContact OE2-NZ 2.9Å; E254-T289 HydrophobicContact CB-CG2 4.43Å; E254-F290 WeakPolarHBondContact CA-O 3.23Å
255Y97.8Very high94.7Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-117.3152173.1-69.2-97.1000109.7M249 H250 K253 M269 M270 T289 F290 G332 V333M249-Y255 WeakPolarHBondContact CA-OH 3.33Å; M249-Y255 HydrophobicContact CB-CE1 4.42Å; M249-Y255 HydrophobicContact CB-CE2 4.16Å; M249-Y255 WeakPolarHBondContact CB-OH 3.48Å; M249-Y255 HydrophobicContact CE-CD1 3.18Å; M249-Y255 HydrophobicContact CE-CD2 3.46Å; M249-Y255 VanDerWaalsContact CE-CD2 3.46Å; M249-Y255 HydrophobicContact CE-CE1 3.35Å; M249-Y255 HydrophobicContact CE-CE2 3.62Å; M249-Y255 HydrophobicContact CE-CG 3.23Å; M249-Y255 HydrophobicContact CG-CE1 4.15Å; H250-Y255 PolarHBondContact N-OH 2.97Å; K253-Y255 HydrophobicContact CB-CE2 4.21Å; K253-Y255 VanDerWaalsContact O-CD2 3.31Å; K253-Y255 WeakPolarHBondContact O-CD2 3.47Å; Y255-M269 WeakPolarHBondContact CA-O 3.11Å; Y255-M269 VanDerWaalsContact CD1-C 3.47Å; Y255-M270 VanDerWaalsContact CD1-CA 3.47Å; Y255-M270 HydrophobicContact CD1-CB 3.92Å; Y255-M270 HydrophobicContact CE1-CB 3.69Å; Y255-M270 HydrophobicContact CE1-CE 4.22Å; Y255-M270 HydrophobicContact CE1-CG 4.34Å; Y255-M270 HydrophobicContact CE2-CE 4.22Å; Y255-M270 WeakPolarHBondContact OH-CE 3.42Å; Y255-T289 WeakPolarHBondContact O-CA 3.49Å; Y255-F290 PolarHBondContact N-O 3.15Å; Y255-F290 PolarHBondContact O-N 3.44Å; Y255-G332 WeakPolarHBondContact CE1-O 3.45Å; Y255-G332 PolarHBondContact OH-O 3.03Å; Y255-V333 HydrophobicContact CD1-CG2 4.33Å; Y255-V333 HydrophobicContact CE1-CG2 3.84Å
256V97Very high94.7Very high2 Ų242.7 Ų42.71%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-123.9138.3-178.8-71.90000110I258 I268 M269 K271 L274 V286 D288 T289V256-I258 HydrophobicContact CB-CG2 4.19Å; V256-I258 HydrophobicContact CG2-CG2 3.91Å; V256-I268 WeakPolarHBondContact O-CA 3.35Å; V256-M269 HydrophobicContact CG2-CG 4.41Å; V256-M269 WeakPolarHBondContact CG2-O 3.4Å; V256-M269 PolarHBondContact N-O 2.62Å; V256-M269 PolarHBondContact O-N 3.39Å; V256-K271 HydrophobicContact CG1-CB 3.87Å; V256-K271 HydrophobicContact CG1-CD 4.01Å; V256-K271 HydrophobicContact CG1-CG 3.81Å; V256-K271 HydrophobicContact CG2-CB 4.47Å; V256-L274 HydrophobicContact CG2-CD1 4.02Å; V256-L274 HydrophobicContact CG2-CD2 4.09Å; V256-L274 HydrophobicContact CG2-CG 4.11Å; V256-V286 HydrophobicContact CB-CG1 4.3Å; V256-V286 HydrophobicContact CG1-CG1 4.15Å; V256-D288 CarbonylContact C-O 3.59Å; V256-D288 WeakPolarHBondContact CA-O 3.42Å; V256-T289 HydrophobicContact CG1-CG2 4.16Å
257K96.9Very high94.7Very high45 Ų4542.8 Ų42.820%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-91.1120.3162.1-177.5174.6-177.8164.70107.3D226 T229 F267 I268 L287 D288 F290D226-K257 IonicContact OD2-NZ 2.75Å; D226-K257 PolarHBondContact OD2-NZ 2.98Å; T229-K257 HydrophobicContact CG2-CD 4.2Å; T229-K257 HydrophobicContact CG2-CG 4.32Å; T229-K257 WeakPolarHBondContact OG1-CE 3.48Å; T229-K257 PolarHBondContact OG1-NZ 2.89Å; K257-F267 CarbonylContact C-O 3.58Å; K257-F267 WeakPolarHBondContact CA-O 3.33Å; K257-I268 HydrophobicContact CB-CG1 4.07Å; K257-I268 HydrophobicContact CG-CG1 4.19Å; K257-L287 HydrophobicContact CG-CB 4.38Å; K257-L287 HydrophobicContact CG-CD1 4.39Å; K257-L287 WeakPolarHBondContact O-CA 3.37Å; K257-L287 WeakPolarHBondContact O-CB 3.43Å; K257-L287 PolarHBondContact O-N 2.8Å; K257-D288 HydrophobicContact CB-CB 4.11Å; K257-D288 PolarHBondContact N-O 3.38Å; K257-D288 PolarHBondContact O-N 3.41Å; K257-F290 HydrophobicContact CB-CE1 4.04Å
258I95.8Very high94.6Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-118.9155.1-179.761.5130.5000111.2V256 K266 F267 L274 Y278 Y284 K285 V286V256-I258 HydrophobicContact CB-CG2 4.19Å; V256-I258 HydrophobicContact CG2-CG2 3.91Å; I258-K266 CarbonylContact O-C 3.49Å; I258-K266 WeakPolarHBondContact O-CA 3.35Å; I258-F267 HydrophobicContact CD1-CB 4.26Å; I258-F267 HydrophobicContact CD1-CD2 4.47Å; I258-F267 HydrophobicContact CG1-CB 4.05Å; I258-F267 WeakPolarHBondContact CG1-O 3.28Å; I258-F267 PolarHBondContact N-O 3.49Å; I258-F267 PolarHBondContact O-N 2.98Å; I258-L274 HydrophobicContact CG2-CD2 4Å; I258-Y278 HydrophobicContact CD1-CD2 4.39Å; I258-Y278 HydrophobicContact CD1-CE2 3.39Å; I258-Y278 WeakPolarHBondContact CD1-OH 3.4Å; I258-Y284 HydrophobicContact CB-CD2 4.34Å; I258-Y284 HydrophobicContact CD1-CG 4.49Å; I258-Y284 HydrophobicContact CG2-CD2 3.88Å; I258-Y284 HydrophobicContact CG2-CE2 4.5Å; I258-K285 CarbonylContact C-O 3.59Å; I258-K285 VanDerWaalsContact CA-O 3.27Å; I258-K285 WeakPolarHBondContact CA-O 3.48Å; I258-V286 HydrophobicContact CG2-CG2 4.09Å
259L96Very high94.5Very high40 Ų4043 Ų4321%0.20922%0.218CC..EExtended strand (participates in β ladder)trans-101.1116.9163.5179.667.5000108.5T261 K266 Y284 K285 L287L259-T261 PolarHBondContact O-N 3.16Å; L259-K266 HydrophobicContact CD1-CG 4.12Å; L259-Y284 CarbonylContact O-C 3.46Å; L259-Y284 VanDerWaalsContact O-CA 3.24Å; L259-Y284 WeakPolarHBondContact O-CA 3.03Å; L259-K285 HydrophobicContact CB-CB 4.42Å; L259-K285 PolarHBondContact N-O 3.3Å; L259-K285 PolarHBondContact O-N 2.72Å; L259-L287 HydrophobicContact CB-CD1 4.16Å; L259-L287 HydrophobicContact CB-CD2 4.39Å; L259-L287 HydrophobicContact CB-CG 4.3Å
260D92.7Very high94.5Very high3 Ų343 Ų432%0.01622%0.219CC..EExtended strand (participates in β ladder)trans-73116171-174.8-54.4000108.7S262 K263 N264 R265 F267 Y278D260-S262 VanDerWaalsContact C-N 3.3Å; D260-S262 PolarHBondContact O-N 2.83Å; D260-S262 WeakPolarHBondContact OD1-CA 3.31Å; D260-S262 WeakPolarHBondContact OD1-CB 3.43Å; D260-S262 PolarHBondContact OD1-N 3.43Å; D260-S262 PolarHBondContact OD1-OG 3.07Å; D260-K263 HydrophobicContact CB-CB 4.41Å; D260-K263 PolarHBondContact OD1-N 2.83Å; D260-K263 IonicContact OD2-NZ 2.81Å; D260-N264 VanDerWaalsContact O-CA 3.24Å; D260-N264 WeakPolarHBondContact O-CA 3.41Å; D260-N264 PolarHBondContact O-N 3.22Å; D260-R265 PolarHBondContact N-O 2.95Å; D260-F267 HydrophobicContact CB-CD2 3.94Å; D260-F267 HydrophobicContact CB-CE2 3.81Å; D260-Y278 WeakPolarHBondContact OD2-CE1 3.38Å; D260-Y278 PolarHBondContact OD2-OH 2.89Å
261T89.6Confident94.4Very high81 Ų8146.2 Ų46.250%0.49723%0.232SC..THydrogen-bonded Turntrans-71-26.7-17544.30000112.6L259 S282 E283L259-T261 PolarHBondContact O-N 3.16Å; T261-S282 PolarHBondContact OG1-O 3.35Å; T261-E283 PolarHBondContact N-O 3.31Å; T261-E283 WeakPolarHBondContact OG1-CA 3.12Å; T261-E283 PolarHBondContact OG1-O 3.04Å
262S87Confident94.3Very high99 Ų9948.3 Ų48.369%0.69225%0.25SS*.THydrogen-bonded Turntrans-77.1-39.5-179.675.30000112.6D260D260-S262 VanDerWaalsContact C-N 3.3Å; D260-S262 PolarHBondContact O-N 2.83Å; D260-S262 WeakPolarHBondContact OD1-CA 3.31Å; D260-S262 WeakPolarHBondContact OD1-CB 3.43Å; D260-S262 PolarHBondContact OD1-N 3.43Å; D260-S262 PolarHBondContact OD1-OG 3.07Å
263K85.2Confident94.2Very high92 Ų9246.6 Ų46.640%0.424%0.238SC..THydrogen-bonded Turntrans-98.5-12.7-176.4-68.5166.4-171.8150.60113D260 R265 F267 V400D260-K263 HydrophobicContact CB-CB 4.41Å; D260-K263 PolarHBondContact OD1-N 2.83Å; D260-K263 IonicContact OD2-NZ 2.81Å; K263-R265 VanDerWaalsContact C-N 3.27Å; K263-R265 HydrophobicContact CB-CG 4.47Å; K263-R265 PolarHBondContact O-N 2.77Å; K263-F267 HydrophobicContact CD-CE2 4.33Å; K263-F267 HydrophobicContact CD-CZ 4.47Å; K263-V400 PolarHBondContact NZ-O 3.09Å
264N89.3Confident94Very high128 Ų12844.4 Ų44.468%0.68423%0.229SC*.THydrogen-bonded Turntrans51.244.5-171.9-162.336.8000112.6D260D260-N264 VanDerWaalsContact O-CA 3.24Å; D260-N264 WeakPolarHBondContact O-CA 3.41Å; D260-N264 PolarHBondContact O-N 3.22Å
265R90.8Very high93.7Very high89 Ų8945.6 Ų45.634%0.33624%0.242SC..EExtended strand (participates in β ladder)trans-127.1148.7179.3-68.9-176.180.1177.54.7110.8D260 K263 F267 G397D260-R265 PolarHBondContact N-O 2.95Å; K263-R265 VanDerWaalsContact C-N 3.27Å; K263-R265 HydrophobicContact CB-CG 4.47Å; K263-R265 PolarHBondContact O-N 2.77Å; R265-F267 HydrophobicContact CB-CE1 4.24Å; R265-F267 HydrophobicContact CB-CE2 4.37Å; R265-F267 HydrophobicContact CB-CZ 3.92Å; R265-G397 PolarHBondContact NH1-O 3.41Å
266K96.3Very high93.1Very high52 Ų5248.1 Ų48.123%0.22626%0.26CS..EExtended strand (participates in β ladder)trans-91.7127.6179.4-61.1161.2-175.3156.80110E228 T229 S230 I258 L259 L287E228-K266 HydrophobicContact CB-CD 4.39Å; E228-K266 PolarHBondContact O-N 3.37Å; E228-K266 IonicContact OE2-NZ 2.62Å; E228-K266 PolarHBondContact OE2-NZ 2.94Å; T229-K266 WeakPolarHBondContact CA-O 3.24Å; T229-K266 HydrophobicContact CG2-CB 4.2Å; T229-K266 WeakPolarHBondContact OG1-CB 3.27Å; T229-K266 WeakPolarHBondContact OG1-CD 3.2Å; S230-K266 PolarHBondContact N-O 2.97Å; I258-K266 CarbonylContact O-C 3.49Å; I258-K266 WeakPolarHBondContact O-CA 3.35Å; L259-K266 HydrophobicContact CD1-CG 4.12Å; K266-L287 HydrophobicContact CD-CD1 4.32Å; K266-L287 HydrophobicContact CG-CD1 3.99Å
267F96.3Very high92.7Very high1 Ų149.4 Ų49.40%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-122148.8178.2-62.3-50000112.3S230 I232 K257 I258 D260 K263 R265 V400S230-F267 CarbonylContact O-C 3.54Å; S230-F267 VanDerWaalsContact O-CA 3.27Å; S230-F267 WeakPolarHBondContact O-CA 3.42Å; I232-F267 HydrophobicContact CD1-CB 4.19Å; I232-F267 HydrophobicContact CG1-CB 4.35Å; I232-F267 HydrophobicContact CG2-CB 4.13Å; I232-F267 HydrophobicContact CG2-CD1 3.44Å; I232-F267 VanDerWaalsContact CG2-CD1 3.44Å; I232-F267 HydrophobicContact CG2-CE1 3.97Å; I232-F267 HydrophobicContact CG2-CG 3.83Å; K257-F267 CarbonylContact C-O 3.58Å; K257-F267 WeakPolarHBondContact CA-O 3.33Å; I258-F267 HydrophobicContact CD1-CB 4.26Å; I258-F267 HydrophobicContact CD1-CD2 4.47Å; I258-F267 HydrophobicContact CG1-CB 4.05Å; I258-F267 WeakPolarHBondContact CG1-O 3.28Å; I258-F267 PolarHBondContact N-O 3.49Å; I258-F267 PolarHBondContact O-N 2.98Å; D260-F267 HydrophobicContact CB-CD2 3.94Å; D260-F267 HydrophobicContact CB-CE2 3.81Å; K263-F267 HydrophobicContact CD-CE2 4.33Å; K263-F267 HydrophobicContact CD-CZ 4.47Å; R265-F267 HydrophobicContact CB-CE1 4.24Å; R265-F267 HydrophobicContact CB-CE2 4.37Å; R265-F267 HydrophobicContact CB-CZ 3.92Å; F267-V400 HydrophobicContact CE1-CG2 4.11Å; F267-V400 HydrophobicContact CE2-CG1 4.13Å; F267-V400 HydrophobicContact CZ-CG1 4.13Å; F267-V400 HydrophobicContact CZ-CG2 4.07Å
268I96.9Very high92.4Very high4 Ų447.8 Ų47.82%0.02126%0.26CS..EExtended strand (participates in β ladder)trans-115.9126.4171.3-64.3170.4000109.5L223 T229 S230 M231 I232 V256 K257 F290 M295L223-I268 HydrophobicContact CD1-CD1 4.06Å; T229-I268 HydrophobicContact CG2-CD1 3.65Å; T229-I268 HydrophobicContact CG2-CG1 3.85Å; S230-I268 PolarHBondContact O-N 2.96Å; M231-I268 HydrophobicContact CE-CB 4.32Å; M231-I268 HydrophobicContact CE-CG2 3.79Å; M231-I268 HydrophobicContact SD-CB 3.5Å; M231-I268 WeakPolarHBondContact SD-CB 3.32Å; M231-I268 HydrophobicContact SD-CD1 3.85Å; M231-I268 HydrophobicContact SD-CG1 4.26Å; M231-I268 HydrophobicContact SD-CG2 3.47Å; M231-I268 WeakPolarHBondContact SD-CG2 3.47Å; I232-I268 WeakPolarHBondContact CG1-O 3.23Å; I232-I268 PolarHBondContact N-O 3.09Å; V256-I268 WeakPolarHBondContact O-CA 3.35Å; K257-I268 HydrophobicContact CB-CG1 4.07Å; K257-I268 HydrophobicContact CG-CG1 4.19Å; I268-F290 HydrophobicContact CD1-CZ 4.03Å; I268-F290 HydrophobicContact CG1-CZ 4.19Å; I268-F290 HydrophobicContact CG2-CE2 4.15Å; I268-F290 HydrophobicContact CG2-CZ 3.75Å; I268-M295 HydrophobicContact CD1-CE 3.57Å
269M96.4Very high91.9Very high0 Ų057.2 Ų57.20%030%0.3CS..EExtended strand (participates in β ladder)trans-150.5169.4175.268.5-177.3-59.300111.3I232 Y255 V256 R273 L274 L277 Y278 T331I232-M269 HydrophobicContact CD1-CB 3.97Å; I232-M269 HydrophobicContact CD1-CG 4.36Å; I232-M269 HydrophobicContact CD1-SD 3.87Å; I232-M269 HydrophobicContact CG1-CB 3.86Å; Y255-M269 WeakPolarHBondContact CA-O 3.11Å; Y255-M269 VanDerWaalsContact CD1-C 3.47Å; V256-M269 HydrophobicContact CG2-CG 4.41Å; V256-M269 WeakPolarHBondContact CG2-O 3.4Å; V256-M269 PolarHBondContact N-O 2.62Å; V256-M269 PolarHBondContact O-N 3.39Å; M269-R273 VanDerWaalsContact CE-C 3.45Å; M269-R273 HydrophobicContact CE-CB 3.79Å; M269-R273 WeakPolarHBondContact CE-O 3.44Å; M269-L274 HydrophobicContact CG-CD2 4.28Å; M269-L274 HydrophobicContact SD-CD2 3.92Å; M269-L277 HydrophobicContact CE-CB 4.42Å; M269-L277 HydrophobicContact SD-CD2 4.48Å; M269-Y278 HydrophobicContact SD-CE2 4.36Å; M269-T331 HydrophobicContact CE-CG2 4.32Å
270M96.7Very high91.4Very high1 Ų161.3 Ų61.31%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-69.5134.5177.4-172.3-178.3-78.600110.3H250 K253 E254 Y255 A272 R273 V325 E327 T331H250-M270 HydrophobicContact CB-CE 4.39Å; K253-M270 HydrophobicContact CB-CE 3.86Å; K253-M270 HydrophobicContact CB-SD 4.49Å; K253-M270 HydrophobicContact CG-CE 4.05Å; E254-M270 WeakPolarHBondContact O-CG 3.35Å; Y255-M270 VanDerWaalsContact CD1-CA 3.47Å; Y255-M270 HydrophobicContact CD1-CB 3.92Å; Y255-M270 HydrophobicContact CE1-CB 3.69Å; Y255-M270 HydrophobicContact CE1-CE 4.22Å; Y255-M270 HydrophobicContact CE1-CG 4.34Å; Y255-M270 HydrophobicContact CE2-CE 4.22Å; Y255-M270 WeakPolarHBondContact OH-CE 3.42Å; M270-A272 VanDerWaalsContact C-N 3.3Å; M270-A272 HydrophobicContact CG-CB 4.46Å; M270-A272 PolarHBondContact O-N 3.44Å; M270-R273 HydrophobicContact CB-CB 4.42Å; M270-R273 HydrophobicContact CB-CG 4.17Å; M270-R273 PolarHBondContact O-N 2.93Å; M270-R273 HydrophobicContact SD-CG 4.41Å; M270-V325 HydrophobicContact CE-CG1 4.33Å; M270-E327 HydrophobicContact CE-CG 4.43Å; M270-E327 HydrophobicContact SD-CB 4.08Å; M270-E327 HydrophobicContact SD-CG 3.53Å; M270-E327 VanDerWaalsContact SD-CG 3.53Å; M270-T331 WeakPolarHBondContact CB-O 3.46Å; M270-T331 PolarHBondContact N-O 2.63Å
271K95.3Very high91Very high91 Ų9168.8 Ų68.840%0.39635%0.354SS..G310 helixtrans-56.8-43.6-175.2-172.6174.1172.7-177.30112.3E254 V256 R273 L274 T289E254-K271 HydrophobicContact CB-CB 4.27Å; E254-K271 HydrophobicContact CB-CD 4.24Å; E254-K271 PolarHBondContact O-N 3.13Å; E254-K271 VanDerWaalsContact OE2-CD 3.3Å; E254-K271 WeakPolarHBondContact OE2-CD 3.46Å; E254-K271 IonicContact OE2-NZ 2.81Å; E254-K271 PolarHBondContact OE2-NZ 2.9Å; V256-K271 HydrophobicContact CG1-CB 3.87Å; V256-K271 HydrophobicContact CG1-CD 4.01Å; V256-K271 HydrophobicContact CG1-CG 3.81Å; V256-K271 HydrophobicContact CG2-CB 4.47Å; K271-R273 PolarHBondContact O-N 3.03Å; K271-R273 VanDerWaalsContact O-N 3.1Å; K271-L274 HydrophobicContact CG-CD1 4.49Å; K271-L274 PolarHBondContact O-N 2.72Å; K271-T289 HydrophobicContact CD-CG2 4.37Å
272A94.6Very high91Very high53 Ų5369 Ų6944%0.43836%0.359SS..G310 helixtrans-61.1-18.7177.800000113.8M270 E327M270-A272 VanDerWaalsContact C-N 3.3Å; M270-A272 HydrophobicContact CG-CB 4.46Å; M270-A272 PolarHBondContact O-N 3.44Å; A272-E327 HydrophobicContact CB-CB 4.27Å; A272-E327 HydrophobicContact CB-CG 4.36Å
273R94.2Very high91.1Very high47 Ų4767.7 Ų67.718%0.17734%0.341CS..G310 helixtrans-100.30.7-176.8-62.4-56.4-53.9179-14.5114M269 M270 K271 T275 S276 E327 D328 G330M269-R273 VanDerWaalsContact CE-C 3.45Å; M269-R273 HydrophobicContact CE-CB 3.79Å; M269-R273 WeakPolarHBondContact CE-O 3.44Å; M270-R273 HydrophobicContact CB-CB 4.42Å; M270-R273 HydrophobicContact CB-CG 4.17Å; M270-R273 PolarHBondContact O-N 2.93Å; M270-R273 HydrophobicContact SD-CG 4.41Å; K271-R273 PolarHBondContact O-N 3.03Å; K271-R273 VanDerWaalsContact O-N 3.1Å; R273-T275 PolarHBondContact O-N 3.39Å; R273-S276 VanDerWaalsContact O-CB 3.31Å; R273-S276 WeakPolarHBondContact O-CB 3.33Å; R273-S276 PolarHBondContact O-N 3.21Å; R273-S276 PolarHBondContact O-OG 3.49Å; R273-E327 WeakPolarHBondContact CD-O 3.45Å; R273-D328 PolarHBondContact NH1-O 3.26Å; R273-G330 PolarHBondContact NE-O 3.07Å; R273-G330 PolarHBondContact NH2-O 3.48Å
274L92.4Very high91.5Very high13 Ų1365.1 Ų65.17%0.06833%0.329CS..Hα-helixtrans-52.1-42.2178.7-81.4166.6000112.2V256 I258 M269 K271 S276 L277 Y278 Y284V256-L274 HydrophobicContact CG2-CD1 4.02Å; V256-L274 HydrophobicContact CG2-CD2 4.09Å; V256-L274 HydrophobicContact CG2-CG 4.11Å; I258-L274 HydrophobicContact CG2-CD2 4Å; M269-L274 HydrophobicContact CG-CD2 4.28Å; M269-L274 HydrophobicContact SD-CD2 3.92Å; K271-L274 HydrophobicContact CG-CD1 4.49Å; K271-L274 PolarHBondContact O-N 2.72Å; L274-S276 PolarHBondContact O-N 3.04Å; L274-S276 VanDerWaalsContact O-N 3.16Å; L274-L277 PolarHBondContact O-N 3.34Å; L274-L277 VanDerWaalsContact O-N 3.12Å; L274-Y278 HydrophobicContact CD2-CD2 4.15Å; L274-Y278 PolarHBondContact O-N 3.21Å; L274-Y284 HydrophobicContact CD1-CE2 3.86Å; L274-Y284 HydrophobicContact CD2-CD2 4.18Å; L274-Y284 HydrophobicContact CD2-CE1 4.49Å; L274-Y284 HydrophobicContact CD2-CE2 3.9Å; L274-Y284 HydrophobicContact CG-CE2 4.45Å
275T89.6Confident91.7Very high116 Ų11665.4 Ų65.471%0.71233%0.325SS*.Hα-helixtrans-62.6-20.3179.354.30000113.9R273 L277 Y278R273-T275 PolarHBondContact O-N 3.39Å; T275-L277 VanDerWaalsContact C-N 3.35Å; T275-Y278 WeakPolarHBondContact CA-O 3.34Å
276S85.8Confident91.9Very high54 Ų5464.3 Ų64.338%0.37833%0.327SS..Hα-helixtrans-74.6-25.7177.473.30000113.1R273 L274 G330R273-S276 VanDerWaalsContact O-CB 3.31Å; R273-S276 WeakPolarHBondContact O-CB 3.33Å; R273-S276 PolarHBondContact O-N 3.21Å; R273-S276 PolarHBondContact O-OG 3.49Å; L274-S276 PolarHBondContact O-N 3.04Å; L274-S276 VanDerWaalsContact O-N 3.16Å; S276-G330 PolarHBondContact OG-O 2.91Å
277L88.2Confident91.8Very high28 Ų2865.5 Ų65.515%0.14734%0.336CS..Hα-helixtrans-110.1-37.7-178.6-175.755.3000112.5I218 I232 M269 L274 T275 V400 H401I218-L277 HydrophobicContact CD1-CD1 3.77Å; I218-L277 HydrophobicContact CD1-CD2 4.35Å; I218-L277 HydrophobicContact CD1-CG 4.46Å; I232-L277 HydrophobicContact CD1-CD2 3.64Å; M269-L277 HydrophobicContact CE-CB 4.42Å; M269-L277 HydrophobicContact SD-CD2 4.48Å; L274-L277 PolarHBondContact O-N 3.34Å; L274-L277 VanDerWaalsContact O-N 3.12Å; T275-L277 VanDerWaalsContact C-N 3.35Å; L277-V400 HydrophobicContact CD2-CG1 4.44Å; L277-H401 HydrophobicContact CD1-CB 3.95Å
278Y90.3Very high91.8Very high12 Ų1269.8 Ų69.85%0.04736%0.359CS..  trans-113.9124-177-59.2-72.8000110.4I258 D260 M269 L274 T275 E283 Y284I258-Y278 HydrophobicContact CD1-CD2 4.39Å; I258-Y278 HydrophobicContact CD1-CE2 3.39Å; I258-Y278 WeakPolarHBondContact CD1-OH 3.4Å; D260-Y278 WeakPolarHBondContact OD2-CE1 3.38Å; D260-Y278 PolarHBondContact OD2-OH 2.89Å; M269-Y278 HydrophobicContact SD-CE2 4.36Å; L274-Y278 HydrophobicContact CD2-CD2 4.15Å; L274-Y278 PolarHBondContact O-N 3.21Å; T275-Y278 WeakPolarHBondContact CA-O 3.34Å; Y278-E283 VanDerWaalsContact CA-OE2 3.28Å; Y278-E283 WeakPolarHBondContact CA-OE2 3.29Å; Y278-E283 HydrophobicContact CD1-CB 3.67Å; Y278-E283 HydrophobicContact CE1-CB 4.42Å; Y278-E283 HydrophobicContact CG-CB 4.45Å; Y278-Y284 HydrophobicContact CD1-CD1 4.07Å; Y278-Y284 AromaticContact CD2-CD1 3.81Å; Y278-Y284 HydrophobicContact CD2-CD1 3.81Å; Y278-Y284 HydrophobicContact CD2-CE1 4.33Å; Y278-Y284 HydrophobicContact CD2-CG 4.27Å; Y278-Y284 AromaticContact CG-CD1 3.52Å; Y278-Y284 HydrophobicContact CG-CD1 3.52Å; Y278-Y284 HydrophobicContact CG-CE1 4.1Å; Y278-Y284 HydrophobicContact CG-CG 4.31Å
279K86Confident91.8Very high197 Ų19772.2 Ų72.286%0.85737%0.374SS*.SBendtrans-84-27-179.9-70.1-174.1180-178.90112E283K279-E283 PolarHBondContact N-OE2 3.48Å
280Q86.9Confident91.8Very high126 Ų12673.8 Ų73.859%0.58938%0.381SS*.SBendtrans-130.2145.4-178.3-59.1-170.83.400110.8S282 E283Q280-S282 PolarHBondContact O-N 3.38Å; Q280-E283 HydrophobicContact CB-CG 4.28Å; Q280-E283 WeakPolarHBondContact O-CB 3.46Å; Q280-E283 PolarHBondContact O-N 3.48Å
281E84.1Confident91.8Very high161 Ų16179.3 Ų79.375%0.75241%0.405SS*.G310 helixtrans-66.3-18.1178.5-66.7-17316600113.6E283E281-E283 PolarHBondContact O-N 2.94Å
282S88.3Confident91.8Very high86 Ų8675 Ų7560%0.60139%0.386SS*.G310 helixtrans-70.9-17.4175.352.90000113.7T261 Q280 Y284T261-S282 PolarHBondContact OG1-O 3.35Å; Q280-S282 PolarHBondContact O-N 3.38Å; S282-Y284 VanDerWaalsContact C-N 3.26Å; S282-Y284 PolarHBondContact O-N 2.76Å
283E90.3Very high91.9Very high71 Ų7179.6 Ų79.633%0.33239%0.392SS..G310 helixtrans-78.4-9.8-177.4-61.1177.516000113T261 Y278 K279 Q280 E281T261-E283 PolarHBondContact N-O 3.31Å; T261-E283 WeakPolarHBondContact OG1-CA 3.12Å; T261-E283 PolarHBondContact OG1-O 3.04Å; Y278-E283 VanDerWaalsContact CA-OE2 3.28Å; Y278-E283 WeakPolarHBondContact CA-OE2 3.29Å; Y278-E283 HydrophobicContact CD1-CB 3.67Å; Y278-E283 HydrophobicContact CE1-CB 4.42Å; Y278-E283 HydrophobicContact CG-CB 4.45Å; K279-E283 PolarHBondContact N-OE2 3.48Å; Q280-E283 HydrophobicContact CB-CG 4.28Å; Q280-E283 WeakPolarHBondContact O-CB 3.46Å; Q280-E283 PolarHBondContact O-N 3.48Å; E281-E283 PolarHBondContact O-N 2.94Å
284Y93.2Very high91.9Very high38 Ų3881.1 Ų81.115%0.14941%0.41CS..EExtended strand (participates in β ladder)trans-149.8160.3179.865.3-85.1000112.5I258 L259 L274 Y278 S282 V286I258-Y284 HydrophobicContact CB-CD2 4.34Å; I258-Y284 HydrophobicContact CD1-CG 4.49Å; I258-Y284 HydrophobicContact CG2-CD2 3.88Å; I258-Y284 HydrophobicContact CG2-CE2 4.5Å; L259-Y284 CarbonylContact O-C 3.46Å; L259-Y284 VanDerWaalsContact O-CA 3.24Å; L259-Y284 WeakPolarHBondContact O-CA 3.03Å; L274-Y284 HydrophobicContact CD1-CE2 3.86Å; L274-Y284 HydrophobicContact CD2-CD2 4.18Å; L274-Y284 HydrophobicContact CD2-CE1 4.49Å; L274-Y284 HydrophobicContact CD2-CE2 3.9Å; L274-Y284 HydrophobicContact CG-CE2 4.45Å; Y278-Y284 HydrophobicContact CD1-CD1 4.07Å; Y278-Y284 AromaticContact CD2-CD1 3.81Å; Y278-Y284 HydrophobicContact CD2-CD1 3.81Å; Y278-Y284 HydrophobicContact CD2-CE1 4.33Å; Y278-Y284 HydrophobicContact CD2-CG 4.27Å; Y278-Y284 AromaticContact CG-CD1 3.52Å; Y278-Y284 HydrophobicContact CG-CD1 3.52Å; Y278-Y284 HydrophobicContact CG-CE1 4.1Å; Y278-Y284 HydrophobicContact CG-CG 4.31Å; S282-Y284 VanDerWaalsContact C-N 3.26Å; S282-Y284 PolarHBondContact O-N 2.76Å; Y284-V286 HydrophobicContact CD2-CG2 4.1Å; Y284-V286 HydrophobicContact CE2-CG2 3.8Å
285K93.2Very high92.1Very high134 Ų13481.2 Ų81.258%0.58341%0.41SS*.EExtended strand (participates in β ladder)trans-123.6121170.1-176.6179.5179.4-179.80109.7I258 L259 L287I258-K285 CarbonylContact C-O 3.59Å; I258-K285 VanDerWaalsContact CA-O 3.27Å; I258-K285 WeakPolarHBondContact CA-O 3.48Å; L259-K285 HydrophobicContact CB-CB 4.42Å; L259-K285 PolarHBondContact N-O 3.3Å; L259-K285 PolarHBondContact O-N 2.72Å; K285-L287 PolarHBondContact O-N 3.34Å
286V94.6Very high92.3Very high65 Ų6579.8 Ų79.839%0.39440%0.395SS..EExtended strand (participates in β ladder)trans-68.8124.3173.2-175.40000109.1V256 I258 Y284V256-V286 HydrophobicContact CB-CG1 4.3Å; V256-V286 HydrophobicContact CG1-CG1 4.15Å; I258-V286 HydrophobicContact CG2-CG2 4.09Å; Y284-V286 HydrophobicContact CD2-CG2 4.1Å; Y284-V286 HydrophobicContact CE2-CG2 3.8Å
287L94.7Very high92.8Very high78 Ų7879.2 Ų79.241%0.40840%0.398SS..EExtended strand (participates in β ladder)trans-99-37.6178.5-60-179.9000111.6K257 L259 K266 K285K257-L287 HydrophobicContact CG-CB 4.38Å; K257-L287 HydrophobicContact CG-CD1 4.39Å; K257-L287 WeakPolarHBondContact O-CA 3.37Å; K257-L287 WeakPolarHBondContact O-CB 3.43Å; K257-L287 PolarHBondContact O-N 2.8Å; L259-L287 HydrophobicContact CB-CD1 4.16Å; L259-L287 HydrophobicContact CB-CD2 4.39Å; L259-L287 HydrophobicContact CB-CG 4.3Å; K266-L287 HydrophobicContact CD-CD1 4.32Å; K266-L287 HydrophobicContact CG-CD1 3.99Å; K285-L287 PolarHBondContact O-N 3.34Å
288D95.3Very high93.1Very high91 Ų9180.3 Ų80.349%0.48740%0.403SS..EExtended strand (participates in β ladder)trans-155.4156.9-177.8-161.77000111.3V256 K257 F290V256-D288 CarbonylContact C-O 3.59Å; V256-D288 WeakPolarHBondContact CA-O 3.42Å; K257-D288 HydrophobicContact CB-CB 4.11Å; K257-D288 PolarHBondContact N-O 3.38Å; K257-D288 PolarHBondContact O-N 3.41Å; D288-F290 HydrophobicContact CB-CD1 4.46Å
289T96.9Very high93.4Very high55 Ų5582.2 Ų82.234%0.33742%0.416SS..EExtended strand (participates in β ladder)trans-135.5130.4176.1-55.80000110E254 Y255 V256 K271E254-T289 HydrophobicContact CB-CG2 4.43Å; Y255-T289 WeakPolarHBondContact O-CA 3.49Å; V256-T289 HydrophobicContact CG1-CG2 4.16Å; K271-T289 HydrophobicContact CD-CG2 4.37Å
290F97.3Very high93.9Very high32 Ų3272.8 Ų72.814%0.1438%0.376CS..EExtended strand (participates in β ladder)trans-150.8169.8-175.548.1-94.9000111.5E254 Y255 K257 I268 D288 M295E254-F290 WeakPolarHBondContact CA-O 3.23Å; Y255-F290 PolarHBondContact N-O 3.15Å; Y255-F290 PolarHBondContact O-N 3.44Å; K257-F290 HydrophobicContact CB-CE1 4.04Å; I268-F290 HydrophobicContact CD1-CZ 4.03Å; I268-F290 HydrophobicContact CG1-CZ 4.19Å; I268-F290 HydrophobicContact CG2-CE2 4.15Å; I268-F290 HydrophobicContact CG2-CZ 3.75Å; D288-F290 HydrophobicContact CB-CD1 4.46Å; F290-M295 HydrophobicContact CD2-CG 3.86Å; F290-M295 HydrophobicContact CD2-SD 4.25Å; F290-M295 HydrophobicContact CE2-CG 3.41Å; F290-M295 VanDerWaalsContact CE2-CG 3.41Å; F290-M295 HydrophobicContact CE2-SD 3.69Å; F290-M295 HydrophobicContact CZ-CG 4.28Å; F290-M295 HydrophobicContact CZ-SD 4.01Å
291K97Very high94.3Very high117 Ų11771 Ų7151%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-87.3149.3174.6-70.6-168.4173.8-171.40111.2K253 R293 S294K253-K291 WeakPolarHBondContact O-CA 3.3Å; K291-R293 PolarHBondContact O-N 3.48Å; K291-R293 VanDerWaalsContact O-N 3.12Å; K291-S294 PolarHBondContact O-N 3.5Å; K291-S294 PolarHBondContact O-OG 2.98Å
292G95Very high94.8Very high0 Ų063.8 Ų63.80%033%0.334CS..G310 helixtrans-54.3-36.2-179.200000114H250 P251 K253 S294 M295H250-G292 WeakPolarHBondContact O-CA 3.38Å; P251-G292 PolarHBondContact O-N 2.82Å; K253-G292 PolarHBondContact O-N 3.3Å; K253-G292 VanDerWaalsContact O-N 3.07Å; G292-S294 PolarHBondContact O-N 2.86Å; G292-S294 VanDerWaalsContact O-N 3.14Å; G292-M295 PolarHBondContact O-N 2.93Å
293R96.3Very high95.1Very high151 Ų15160.2 Ų60.257%0.5731%0.309SS*.G310 helixtrans-56.5-28.7176.8-178.8168.5-76168.42.5114P251 K291 M295 E296P251-R293 HydrophobicContact CB-CB 4.25Å; P251-R293 WeakPolarHBondContact O-CB 3.12Å; P251-R293 PolarHBondContact O-N 3.08Å; K291-R293 PolarHBondContact O-N 3.48Å; K291-R293 VanDerWaalsContact O-N 3.12Å; R293-M295 PolarHBondContact O-N 2.98Å; R293-E296 WeakPolarHBondContact O-CB 3.47Å; R293-E296 PolarHBondContact O-N 2.72Å
294S95.3Very high95.3Very high78 Ų7857.7 Ų57.755%0.54530%0.297SS..G310 helixtrans-70.7-15.6178.869.20000113.5K291 G292K291-S294 PolarHBondContact O-N 3.5Å; K291-S294 PolarHBondContact O-OG 2.98Å; G292-S294 PolarHBondContact O-N 2.86Å; G292-S294 VanDerWaalsContact O-N 3.14Å
295M94.8Very high95.2Very high15 Ų1560.1 Ų60.17%0.07432%0.319CS..G310 helixtrans-96.9-8.1179.8-61.8-65.1-70.900112.8L223 M231 M249 I268 F290 G292 R293 G297 L298 I319L223-M295 HydrophobicContact CD1-CE 4.07Å; M231-M295 HydrophobicContact SD-CE 3.94Å; M249-M295 HydrophobicContact CE-CB 4.37Å; M249-M295 HydrophobicContact CE-CG 4.18Å; M249-M295 HydrophobicContact SD-CB 3.88Å; M249-M295 HydrophobicContact SD-CG 4.29Å; I268-M295 HydrophobicContact CD1-CE 3.57Å; F290-M295 HydrophobicContact CD2-CG 3.86Å; F290-M295 HydrophobicContact CD2-SD 4.25Å; F290-M295 HydrophobicContact CE2-CG 3.41Å; F290-M295 VanDerWaalsContact CE2-CG 3.41Å; F290-M295 HydrophobicContact CE2-SD 3.69Å; F290-M295 HydrophobicContact CZ-CG 4.28Å; F290-M295 HydrophobicContact CZ-SD 4.01Å; G292-M295 PolarHBondContact O-N 2.93Å; R293-M295 PolarHBondContact O-N 2.98Å; M295-G297 PolarHBondContact O-N 3.09Å; M295-L298 HydrophobicContact CB-CD1 4.41Å; M295-L298 HydrophobicContact CE-CD1 3.62Å; M295-L298 WeakPolarHBondContact O-CB 3.35Å; M295-L298 PolarHBondContact O-N 2.87Å; M295-L298 HydrophobicContact SD-CD1 3.7Å; M295-I319 HydrophobicContact CB-CD1 4.06Å; M295-I319 HydrophobicContact CB-CG2 4.17Å; M295-I319 HydrophobicContact CE-CD1 4Å; M295-I319 WeakPolarHBondContact O-CB 3.46Å
296E95.5Very high95.2Very high87 Ų8755.9 Ų55.941%0.40730%0.3SS..THydrogen-bonded Turntrans-58.6131.3-176.7-171.7166.7-144.100111.2R293 L298R293-E296 WeakPolarHBondContact O-CB 3.47Å; R293-E296 PolarHBondContact O-N 2.72Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.45Å
297G94.8Very high95.1Very high41 Ų4153.4 Ų53.442%0.42328%0.284SS..THydrogen-bonded Turntrans87.5-14.9-179.100000115.6M295 I319M295-G297 PolarHBondContact O-N 3.09Å; G297-I319 PolarHBondContact N-O 3.12Å
298L96.2Very high94.9Very high51 Ų5153.4 Ų53.427%0.26728%0.284SS..  trans-64139176-68.1177.4000111.3M295 E296 R318 I319M295-L298 HydrophobicContact CB-CD1 4.41Å; M295-L298 HydrophobicContact CE-CD1 3.62Å; M295-L298 WeakPolarHBondContact O-CB 3.35Å; M295-L298 PolarHBondContact O-N 2.87Å; M295-L298 HydrophobicContact SD-CD1 3.7Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.45Å; L298-R318 CarbonylContact O-C 3.6Å; L298-R318 WeakPolarHBondContact O-CA 3.49Å; L298-R318 WeakPolarHBondContact O-CB 3.38Å; L298-I319 HydrophobicContact CB-CD1 4.22Å; L298-I319 PolarHBondContact O-N 2.97Å
299T96.7Very high94.8Very high52 Ų5253.3 Ų53.332%0.31928%0.28SS..BIsolated β-bridgetrans-97.5152.8-177.159.70000112.4D224 F317 R318D224-T299 PolarHBondContact N-O 3.12Å; D224-T299 WeakPolarHBondContact OD2-CB 3.33Å; D224-T299 PolarHBondContact OD2-OG1 3.42Å; T299-F317 VanDerWaalsContact CA-O 3.29Å; T299-F317 WeakPolarHBondContact CA-O 3.39Å; T299-R318 HydrophobicContact CG2-CB 4.1Å
300Y96.5Very high94.5Very high0 Ų050.8 Ų50.80%027%0.265CS..BIsolated β-bridgetrans-135168.2-17966-92.5000112.4F221 P222 D224 N244 A246 L247 K311 F317F221-Y300 HydrophobicContact CB-CD2 3.86Å; F221-Y300 HydrophobicContact CB-CE2 4.46Å; F221-Y300 HydrophobicContact CB-CG 4.29Å; F221-Y300 AromaticContact CD1-CD2 3.75Å; F221-Y300 HydrophobicContact CD1-CD2 3.75Å; F221-Y300 AromaticContact CD1-CE2 3.53Å; F221-Y300 HydrophobicContact CD1-CE2 3.53Å; F221-Y300 HydrophobicContact CE1-CE2 4.21Å; F221-Y300 HydrophobicContact CG-CD2 4.26Å; F221-Y300 HydrophobicContact CG-CE2 4.39Å; P222-Y300 CarbonylContact O-C 3.34Å; P222-Y300 VanDerWaalsContact O-CA 3.27Å; P222-Y300 WeakPolarHBondContact O-CA 3.26Å; P222-Y300 WeakPolarHBondContact O-CB 3.21Å; D224-Y300 PolarHBondContact OD2-N 3.46Å; N244-Y300 WeakPolarHBondContact OD1-CE2 3.29Å; N244-Y300 PolarHBondContact OD1-OH 2.71Å; A246-Y300 WeakPolarHBondContact CA-OH 3.49Å; A246-Y300 PolarHBondContact N-OH 3Å; A246-Y300 PolarHBondContact O-OH 2.64Å; L247-Y300 HydrophobicContact CB-CE1 4.22Å; L247-Y300 HydrophobicContact CD1-CD1 4.02Å; L247-Y300 HydrophobicContact CD1-CE1 4.02Å; L247-Y300 HydrophobicContact CD1-CG 4.33Å; L247-Y300 HydrophobicContact CG-CD1 4.19Å; L247-Y300 HydrophobicContact CG-CE1 3.66Å; L247-Y300 HydrophobicContact CG-CE2 4.45Å; Y300-K311 PolarHBondContact O-NZ 2.57Å; Y300-K311 VanDerWaalsContact O-NZ 3.07Å; Y300-F317 VanDerWaalsContact CD1-O 3.3Å; Y300-F317 WeakPolarHBondContact CD1-O 3.34Å; Y300-F317 HydrophobicContact CE1-CB 4.36Å; Y300-F317 HydrophobicContact CE2-CB 4.26Å; Y300-F317 HydrophobicContact CE2-CD1 4.23Å; Y300-F317 PolarHBondContact N-O 3.06Å
301Q95.1Very high94.3Very high89 Ų8952 Ų5242%0.41627%0.27SS..  trans-87.4118.6171.4-64.7-168.70.500110.6P222 D224P222-Q301 HydrophobicContact CB-CB 4.41Å; P222-Q301 PolarHBondContact O-N 2.78Å; D224-Q301 WeakPolarHBondContact OD1-CG 3.48Å
302P94.8Very high93.9Very high9 Ų956 Ų566%0.05829%0.287CS..  trans-66.4160.3-179.524.5-31.9000113.1F304 I308 F317 K398P302-F304 VanDerWaalsContact C-N 3.29Å; P302-F304 WeakPolarHBondContact CB-O 3.39Å; P302-F304 WeakPolarHBondContact CG-O 3.38Å; P302-F304 PolarHBondContact O-N 2.91Å; P302-I308 HydrophobicContact CG-CD1 3.56Å; P302-F317 HydrophobicContact CB-CD1 3.45Å; P302-F317 VanDerWaalsContact CB-CD1 3.45Å; P302-F317 HydrophobicContact CB-CE1 3.39Å; P302-F317 HydrophobicContact CB-CG 4.37Å; P302-F317 HydrophobicContact CB-CZ 4.3Å; P302-F317 HydrophobicContact CG-CD1 3.7Å; P302-F317 HydrophobicContact CG-CE1 3.63Å; P302-F317 HydrophobicContact CG-CG 4.19Å; P302-F317 HydrophobicContact CG-CZ 4.11Å; P302-K398 PolarHBondContact O-NZ 3.3Å
303P93.1Very high93.5Very high10 Ų1062.2 Ų62.27%0.06532%0.316CS..SBendtrans-63.3-38.7178.223.1-30.8000111.3V219 F221 L241 N244 L393 K398V219-P303 HydrophobicContact CG1-CB 4.44Å; F221-P303 VanDerWaalsContact CE1-CD 3.45Å; F221-P303 HydrophobicContact CE1-CG 3.87Å; F221-P303 HydrophobicContact CZ-CG 4.44Å; L241-P303 HydrophobicContact CB-CG 4.4Å; N244-P303 HydrophobicContact CB-CG 4.4Å; P303-L393 HydrophobicContact CB-CD2 3.82Å; P303-K398 HydrophobicContact CB-CD 4.5Å; P303-K398 PolarHBondContact O-NZ 3.21Å
304F94.2Very high93.1Very high18 Ų1856.9 Ų56.98%0.07930%0.296CS..  trans-122.8149.4177.8-63.1-84.4000111.3L241 V242 P302 Y306 F377 I389 N392 L393L241-F304 HydrophobicContact CB-CE2 4.23Å; V242-F304 HydrophobicContact CB-CD2 4.32Å; V242-F304 HydrophobicContact CG1-CD2 3.84Å; V242-F304 HydrophobicContact CG1-CE2 3.85Å; V242-F304 HydrophobicContact CG1-CG 4.2Å; V242-F304 HydrophobicContact CG1-CZ 4.23Å; P302-F304 VanDerWaalsContact C-N 3.29Å; P302-F304 WeakPolarHBondContact CB-O 3.39Å; P302-F304 WeakPolarHBondContact CG-O 3.38Å; P302-F304 PolarHBondContact O-N 2.91Å; F304-Y306 HydrophobicContact CB-CD2 3.56Å; F304-Y306 HydrophobicContact CB-CE2 3.66Å; F304-Y306 HydrophobicContact CD1-CD2 4.42Å; F304-Y306 AromaticContact CD1-CE2 3.63Å; F304-Y306 HydrophobicContact CD1-CE2 3.63Å; F304-Y306 HydrophobicContact CG-CD2 4.2Å; F304-Y306 AromaticContact CG-CE2 3.82Å; F304-Y306 HydrophobicContact CG-CE2 3.82Å; F304-F377 AromaticContact CE1-CE2 3.82Å; F304-F377 HydrophobicContact CE1-CE2 3.82Å; F304-F377 HydrophobicContact CE1-CZ 4.15Å; F304-F377 HydrophobicContact CZ-CE2 4.16Å; F304-F377 HydrophobicContact CZ-CZ 4.46Å; F304-I389 HydrophobicContact CE2-CG2 4.19Å; F304-I389 HydrophobicContact CZ-CG2 3.98Å; F304-N392 HydrophobicContact CE1-CB 4.5Å; F304-L393 HydrophobicContact CE2-CD2 4.01Å; F304-L393 HydrophobicContact CE2-CG 4.41Å; F304-L393 HydrophobicContact CZ-CD2 4.1Å; F304-L393 HydrophobicContact CZ-CG 4.21Å
305S91.9Very high93Very high89 Ų8954.4 Ų54.462%0.62228%0.283SS*.  trans-93.7-0.1-174.950.50000114.9F307 I308S305-F307 PolarHBondContact O-N 3.17Å; S305-F307 VanDerWaalsContact O-N 3.12Å; S305-I308 WeakPolarHBondContact O-CB 3.49Å; S305-I308 WeakPolarHBondContact O-CG2 3.27Å; S305-I308 PolarHBondContact O-N 2.87Å
306Y92.4Very high92.9Very high45 Ų4553.8 Ų53.818%0.17628%0.28CS..THydrogen-bonded Turntrans-51.9-39.9-173.6-57.3-60000113.9V242 F304 E373 I374 D376V242-Y306 HydrophobicContact CB-CD2 4.37Å; V242-Y306 HydrophobicContact CB-CE2 4.41Å; V242-Y306 HydrophobicContact CG1-CE2 4.33Å; F304-Y306 HydrophobicContact CB-CD2 3.56Å; F304-Y306 HydrophobicContact CB-CE2 3.66Å; F304-Y306 HydrophobicContact CD1-CD2 4.42Å; F304-Y306 AromaticContact CD1-CE2 3.63Å; F304-Y306 HydrophobicContact CD1-CE2 3.63Å; F304-Y306 HydrophobicContact CG-CD2 4.2Å; F304-Y306 AromaticContact CG-CE2 3.82Å; F304-Y306 HydrophobicContact CG-CE2 3.82Å; Y306-E373 WeakPolarHBondContact CD1-O 3.43Å; Y306-I374 HydrophobicContact CD2-CD1 3.72Å; Y306-I374 HydrophobicContact CD2-CG2 4.44Å; Y306-I374 HydrophobicContact CE2-CD1 4.26Å; Y306-I374 HydrophobicContact CE2-CG2 3.9Å; Y306-I374 HydrophobicContact CG-CD1 3.89Å; Y306-D376 WeakPolarHBondContact OH-CB 3.44Å; Y306-D376 PolarHBondContact OH-N 3.23Å; Y306-D376 PolarHBondContact OH-OD2 3.04Å
307F92.6Very high93Very high13 Ų1349.8 Ų49.86%0.05726%0.261CS..THydrogen-bonded Turntrans-113.222.3-174.9-55.6-63.4000113.6V242 L245 S305 H309 L310 F317 I361 P363 I374V242-F307 WeakPolarHBondContact O-CD2 3.25Å; V242-F307 WeakPolarHBondContact O-CE2 3.28Å; L245-F307 HydrophobicContact CD2-CB 4.45Å; S305-F307 PolarHBondContact O-N 3.17Å; S305-F307 VanDerWaalsContact O-N 3.12Å; F307-H309 PolarHBondContact O-N 2.95Å; F307-H309 VanDerWaalsContact O-N 3.1Å; F307-L310 HydrophobicContact CB-CD1 3.73Å; F307-L310 HydrophobicContact CB-CG 4.31Å; F307-L310 HydrophobicContact CG-CD1 4.45Å; F307-L310 WeakPolarHBondContact O-CB 3.42Å; F307-L310 WeakPolarHBondContact O-CG 3.48Å; F307-L310 PolarHBondContact O-N 3.05Å; F307-L310 VanDerWaalsContact O-N 3.09Å; F307-F317 HydrophobicContact CB-CZ 4.28Å; F307-F317 VanDerWaalsContact O-CE2 3.24Å; F307-F317 WeakPolarHBondContact O-CE2 3.33Å; F307-F317 WeakPolarHBondContact O-CZ 3.44Å; F307-I361 HydrophobicContact CD1-CG2 3.68Å; F307-I361 HydrophobicContact CD2-CG2 4.37Å; F307-I361 HydrophobicContact CE1-CG2 3.4Å; F307-I361 HydrophobicContact CE2-CG2 4.12Å; F307-I361 HydrophobicContact CG-CG2 4.17Å; F307-I361 HydrophobicContact CZ-CG2 3.64Å; F307-P363 HydrophobicContact CE2-CG 4.13Å; F307-P363 HydrophobicContact CZ-CB 4.08Å; F307-P363 HydrophobicContact CZ-CG 3.93Å; F307-I374 HydrophobicContact CE2-CD1 3.86Å; F307-I374 HydrophobicContact CZ-CD1 3.85Å
308I92.3Very high93Very high79 Ų7950.4 Ų50.441%0.40525%0.251SS..THydrogen-bonded Turntrans-59.3-27.5-173.8-163.366.9000113.6P302 S305 L310 K311 F317P302-I308 HydrophobicContact CG-CD1 3.56Å; S305-I308 WeakPolarHBondContact O-CB 3.49Å; S305-I308 WeakPolarHBondContact O-CG2 3.27Å; S305-I308 PolarHBondContact O-N 2.87Å; I308-L310 PolarHBondContact O-N 3.24Å; I308-K311 VanDerWaalsContact O-CB 3.23Å; I308-K311 WeakPolarHBondContact O-CB 3.43Å; I308-K311 PolarHBondContact O-N 2.99Å; I308-K311 VanDerWaalsContact O-N 3.12Å; I308-F317 HydrophobicContact CD1-CE2 4.44Å
309H91.6Very high93.1Very high89 Ų8948 Ų4841%0.41224%0.238SC..THydrogen-bonded Turntrans-58.8-30.3177.860.9-85.4000112.9F307 K311 K312 E313F307-H309 PolarHBondContact O-N 2.95Å; F307-H309 VanDerWaalsContact O-N 3.1Å; H309-K311 PolarHBondContact O-N 3.48Å; H309-K311 VanDerWaalsContact O-N 3.12Å; H309-K312 PolarHBondContact O-N 3.48Å; H309-K312 VanDerWaalsContact O-N 3.08Å; H309-E313 IonicContact CD2-OE1 2.83Å; H309-E313 IonicContact CD2-OE2 2.85Å; H309-E313 PolarHBondContact O-N 3.02Å
310L91.6Very high93.2Very high2 Ų245.6 Ų45.61%0.0122%0.223CC..Hα-helixtrans-64.7-18.1178.6-59.4175.3000113.9L245 F307 I308 K312 E313 R314 G315 A316 F317 I361L245-L310 HydrophobicContact CD1-CD1 4.39Å; L245-L310 HydrophobicContact CD2-CD1 3.52Å; F307-L310 HydrophobicContact CB-CD1 3.73Å; F307-L310 HydrophobicContact CB-CG 4.31Å; F307-L310 HydrophobicContact CG-CD1 4.45Å; F307-L310 WeakPolarHBondContact O-CB 3.42Å; F307-L310 WeakPolarHBondContact O-CG 3.48Å; F307-L310 PolarHBondContact O-N 3.05Å; F307-L310 VanDerWaalsContact O-N 3.09Å; I308-L310 PolarHBondContact O-N 3.24Å; L310-K312 PolarHBondContact O-N 3.28Å; L310-E313 PolarHBondContact O-N 3.26Å; L310-R314 HydrophobicContact CD2-CG 4.34Å; L310-R314 PolarHBondContact O-N 3.5Å; L310-G315 PolarHBondContact O-N 3.25Å; L310-A316 HydrophobicContact CB-CB 3.89Å; L310-A316 PolarHBondContact O-N 3.4Å; L310-F317 HydrophobicContact CB-CE2 4.38Å; L310-I361 HydrophobicContact CD1-CD1 3.25Å; L310-I361 HydrophobicContact CD2-CD1 3.68Å; L310-I361 HydrophobicContact CG-CD1 4.03Å
311K91.9Very high93.2Very high58 Ų5846.3 Ų46.325%0.25223%0.228SC..Hα-helixtrans-56.9-42.3172.4-164164-171.7163.40111D224 Y300 I308 H309 G315 F317D224-K311 VanDerWaalsContact CG-NZ 3.26Å; D224-K311 IonicContact OD1-NZ 2.93Å; D224-K311 PolarHBondContact OD1-NZ 3.35Å; D224-K311 WeakPolarHBondContact OD2-CE 3.32Å; D224-K311 IonicContact OD2-NZ 2.69Å; D224-K311 PolarHBondContact OD2-NZ 3.35Å; Y300-K311 PolarHBondContact O-NZ 2.57Å; Y300-K311 VanDerWaalsContact O-NZ 3.07Å; I308-K311 VanDerWaalsContact O-CB 3.23Å; I308-K311 WeakPolarHBondContact O-CB 3.43Å; I308-K311 PolarHBondContact O-N 2.99Å; I308-K311 VanDerWaalsContact O-N 3.12Å; H309-K311 PolarHBondContact O-N 3.48Å; H309-K311 VanDerWaalsContact O-N 3.12Å; K311-G315 VanDerWaalsContact O-CA 3.29Å; K311-G315 WeakPolarHBondContact O-CA 3.42Å; K311-G315 PolarHBondContact O-N 3.02Å; K311-F317 HydrophobicContact CB-CD2 3.83Å; K311-F317 HydrophobicContact CB-CE2 4.38Å; K311-F317 HydrophobicContact CD-CD2 4.41Å; K311-F317 HydrophobicContact CG-CD2 4.28Å
312K89.2Confident93.2Very high200 Ų20042.5 Ų42.587%0.8721%0.211SC*.Hα-helixtrans-83.7-38.3180-168.2179.5179.1-175.10111.9H309 L310H309-K312 PolarHBondContact O-N 3.48Å; H309-K312 VanDerWaalsContact O-N 3.08Å; L310-K312 PolarHBondContact O-N 3.28Å
313E87.5Confident93.2Very high130 Ų13046.5 Ų46.561%0.60724%0.235SC*.Hα-helixtrans-78.2-38.7-174.6-66.8174.7-169.900113.8H309 L310H309-E313 IonicContact CD2-OE1 2.83Å; H309-E313 IonicContact CD2-OE2 2.85Å; H309-E313 PolarHBondContact O-N 3.02Å; L310-E313 PolarHBondContact O-N 3.26Å
314R88.3Confident93.3Very high40 Ų4048.7 Ų48.715%0.15124%0.242CC..SBendtrans-126.43.8-171.6-52.8-169.9-170.6-175.33113.5L310 A316 I353 T358 P359L310-R314 HydrophobicContact CD2-CG 4.34Å; L310-R314 PolarHBondContact O-N 3.5Å; R314-A316 VanDerWaalsContact C-N 3.25Å; R314-A316 PolarHBondContact O-N 2.85Å; R314-I353 VanDerWaalsContact CD-O 3.24Å; R314-I353 WeakPolarHBondContact CD-O 3.48Å; R314-T358 PolarHBondContact NH1-OG1 3.11Å; R314-P359 PolarHBondContact NH1-O 3.06Å; R314-P359 PolarHBondContact NH2-O 2.98Å; R314-P359 VanDerWaalsContact NH2-O 3.08Å
315G91.5Very high93.3Very high26 Ų2648 Ų4827%0.26824%0.239SC..  trans63.230.9-174.100000113.2L310 K311 R318L310-G315 PolarHBondContact O-N 3.25Å; K311-G315 VanDerWaalsContact O-CA 3.29Å; K311-G315 WeakPolarHBondContact O-CA 3.42Å; K311-G315 PolarHBondContact O-N 3.02Å; G315-R318 WeakPolarHBondContact O-CD 3.34Å; G315-R318 PolarHBondContact O-NH1 2.64Å
316A93.7Very high93.3Very high2 Ų247 Ų472%0.01723%0.23CC..  trans-68.5174.2177.800000112.3L245 L310 R314 I353L245-A316 HydrophobicContact CD2-CB 4.42Å; L310-A316 HydrophobicContact CB-CB 3.89Å; L310-A316 PolarHBondContact O-N 3.4Å; R314-A316 VanDerWaalsContact C-N 3.25Å; R314-A316 PolarHBondContact O-N 2.85Å; A316-I353 HydrophobicContact CB-CG2 4.12Å
317F96.5Very high93.4Very high2 Ų248.9 Ų48.91%0.00924%0.241CC..SBendtrans60.546.7179.7-46.8-74.3000113.6N244 L245 T299 Y300 P302 F307 I308 L310 K311N244-F317 WeakPolarHBondContact O-CE1 3.45Å; L245-F317 HydrophobicContact CD2-CE1 4.33Å; L245-F317 HydrophobicContact CD2-CZ 4.09Å; L245-F317 WeakPolarHBondContact O-CA 3.34Å; L245-F317 PolarHBondContact O-N 3.19Å; T299-F317 VanDerWaalsContact CA-O 3.29Å; T299-F317 WeakPolarHBondContact CA-O 3.39Å; Y300-F317 VanDerWaalsContact CD1-O 3.3Å; Y300-F317 WeakPolarHBondContact CD1-O 3.34Å; Y300-F317 HydrophobicContact CE1-CB 4.36Å; Y300-F317 HydrophobicContact CE2-CB 4.26Å; Y300-F317 HydrophobicContact CE2-CD1 4.23Å; Y300-F317 PolarHBondContact N-O 3.06Å; P302-F317 HydrophobicContact CB-CD1 3.45Å; P302-F317 VanDerWaalsContact CB-CD1 3.45Å; P302-F317 HydrophobicContact CB-CE1 3.39Å; P302-F317 HydrophobicContact CB-CG 4.37Å; P302-F317 HydrophobicContact CB-CZ 4.3Å; P302-F317 HydrophobicContact CG-CD1 3.7Å; P302-F317 HydrophobicContact CG-CE1 3.63Å; P302-F317 HydrophobicContact CG-CG 4.19Å; P302-F317 HydrophobicContact CG-CZ 4.11Å; F307-F317 HydrophobicContact CB-CZ 4.28Å; F307-F317 VanDerWaalsContact O-CE2 3.24Å; F307-F317 WeakPolarHBondContact O-CE2 3.33Å; F307-F317 WeakPolarHBondContact O-CZ 3.44Å; I308-F317 HydrophobicContact CD1-CE2 4.44Å; L310-F317 HydrophobicContact CB-CE2 4.38Å; K311-F317 HydrophobicContact CB-CD2 3.83Å; K311-F317 HydrophobicContact CB-CE2 4.38Å; K311-F317 HydrophobicContact CD-CD2 4.41Å; K311-F317 HydrophobicContact CG-CD2 4.28Å
318R96.5Very high93.2Very high55 Ų5553.5 Ų53.521%0.20827%0.266CS..EExtended strand (participates in β ladder)trans-127.9162.617472.6-177.5-169.1-120.36.3112.4A246 L247 L298 T299 G315 L320 N351 I353A246-R318 WeakPolarHBondContact CA-O 3.39Å; A246-R318 WeakPolarHBondContact CB-O 3.43Å; L247-R318 PolarHBondContact N-O 2.96Å; L298-R318 CarbonylContact O-C 3.6Å; L298-R318 WeakPolarHBondContact O-CA 3.49Å; L298-R318 WeakPolarHBondContact O-CB 3.38Å; T299-R318 HydrophobicContact CG2-CB 4.1Å; G315-R318 WeakPolarHBondContact O-CD 3.34Å; G315-R318 PolarHBondContact O-NH1 2.64Å; R318-L320 HydrophobicContact CG-CD2 3.97Å; R318-N351 PolarHBondContact NH2-O 3.08Å; R318-I353 HydrophobicContact CG-CD1 4.43Å
319I97.7Very high93Very high0 Ų053.1 Ų53.10%027%0.267CS..EExtended strand (participates in β ladder)trans-80.9131.6175.6-60.5174.8000109.3L223 M231 L247 M249 M295 G297 L298L223-I319 HydrophobicContact CD2-CD1 4.15Å; M231-I319 HydrophobicContact CE-CD1 4.07Å; M231-I319 HydrophobicContact CG-CD1 3.92Å; M231-I319 HydrophobicContact SD-CD1 3.88Å; L247-I319 HydrophobicContact CB-CG1 4.44Å; L247-I319 CarbonylContact O-C 3.54Å; L247-I319 WeakPolarHBondContact O-CA 3.1Å; M249-I319 HydrophobicContact CG-CG2 4.02Å; M249-I319 HydrophobicContact SD-CD1 4.44Å; M249-I319 HydrophobicContact SD-CG2 3.5Å; M249-I319 WeakPolarHBondContact SD-CG2 3.39Å; M295-I319 HydrophobicContact CB-CD1 4.06Å; M295-I319 HydrophobicContact CB-CG2 4.17Å; M295-I319 HydrophobicContact CE-CD1 4Å; M295-I319 WeakPolarHBondContact O-CB 3.46Å; G297-I319 PolarHBondContact N-O 3.12Å; L298-I319 HydrophobicContact CB-CD1 4.22Å; L298-I319 PolarHBondContact O-N 2.97Å
320L97.5Very high93Very high1 Ų149.2 Ų49.21%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-116.7164.3176.6-55.3-177.8000110A246 L247 C248 M249 R318 V347 N351 I353A246-L320 HydrophobicContact CB-CD1 3.74Å; A246-L320 HydrophobicContact CB-CG 4.02Å; L247-L320 PolarHBondContact O-N 2.93Å; C248-L320 WeakPolarHBondContact CA-O 3.35Å; M249-L320 PolarHBondContact N-O 3.34Å; R318-L320 HydrophobicContact CG-CD2 3.97Å; L320-V347 HydrophobicContact CB-CG1 4.16Å; L320-V347 HydrophobicContact CD1-CG1 3.79Å; L320-N351 HydrophobicContact CD1-CB 3.96Å; L320-N351 HydrophobicContact CD2-CB 3.82Å; L320-I353 HydrophobicContact CD1-CD1 3.82Å; L320-I353 HydrophobicContact CD2-CD1 4.25Å; L320-I353 HydrophobicContact CG-CD1 4.36Å
321C96.9Very high93.2Very high15 Ų1549.1 Ų49.110%0.10125%0.251CS..EExtended strand (participates in β ladder)trans-123135.8174-76.10000112.5M249 P251M249-C321 VanDerWaalsContact O-CA 3.23Å; M249-C321 WeakPolarHBondContact O-CA 3.49Å; P251-C321 HydrophobicContact CB-CB 4.05Å; P251-C321 HydrophobicContact CG-CB 4.47Å
322D96.1Very high93.3Very high10 Ų1046.5 Ų46.55%0.05324%0.24CC..  trans-156.8152.7169-168.3-86.5000109.9C248 M249 Y324 R346 V347 R350C248-D322 PolarHBondContact SG-N 3.07Å; M249-D322 PolarHBondContact O-N 2.86Å; M249-D322 VanDerWaalsContact O-N 3.07Å; D322-Y324 VanDerWaalsContact C-N 3.28Å; D322-Y324 HydrophobicContact CB-CD1 3.85Å; D322-Y324 HydrophobicContact CB-CE1 4.27Å; D322-Y324 PolarHBondContact O-N 3.38Å; D322-Y324 WeakPolarHBondContact OD1-CD1 3.33Å; D322-Y324 PolarHBondContact OD1-N 3.48Å; D322-Y324 VanDerWaalsContact OD1-N 3.16Å; D322-R346 IonicContact OD1-CZ 3.68Å; D322-R346 IonicContact OD1-NH1 3.35Å; D322-R346 PolarHBondContact OD1-NH1 3.35Å; D322-R346 IonicContact OD1-NH2 2.73Å; D322-R346 PolarHBondContact OD1-NH2 3.2Å; D322-R346 IonicContact OD2-CZ 3.98Å; D322-R346 IonicContact OD2-NH1 2.64Å; D322-R346 PolarHBondContact OD2-NH1 2.96Å; D322-R346 IonicContact OD2-NH2 3.18Å; D322-V347 HydrophobicContact CB-CG1 4.37Å; D322-V347 HydrophobicContact CB-CG2 3.67Å; D322-R350 IonicContact OD2-NH1 3.76Å; D322-R350 PolarHBondContact OD2-NH1 3.49Å
323T94.9Very high93.7Very high93 Ų9337.1 Ų37.157%0.57120%0.199SC*.THydrogen-bonded Turntrans-79.4-7.1-172.752.80000113.9P251 V325P251-T323 HydrophobicContact CG-CG2 4.23Å; T323-V325 PolarHBondContact O-N 3.33Å
324Y94.1Very high94.1Very high55 Ų5533 Ų3322%0.21618%0.183CC..THydrogen-bonded Turntrans-69-17.9176.690.7-77.6000113.3C248 D322 T326 V334 Q336 D343 V347C248-Y324 HydrophobicContact CB-CE1 4.13Å; D322-Y324 VanDerWaalsContact C-N 3.28Å; D322-Y324 HydrophobicContact CB-CD1 3.85Å; D322-Y324 HydrophobicContact CB-CE1 4.27Å; D322-Y324 PolarHBondContact O-N 3.38Å; D322-Y324 WeakPolarHBondContact OD1-CD1 3.33Å; D322-Y324 PolarHBondContact OD1-N 3.48Å; D322-Y324 VanDerWaalsContact OD1-N 3.16Å; Y324-T326 PolarHBondContact O-N 2.98Å; Y324-V334 WeakPolarHBondContact OH-CB 3.15Å; Y324-V334 VanDerWaalsContact OH-CG1 3.3Å; Y324-V334 WeakPolarHBondContact OH-CG1 3.41Å; Y324-Q336 PolarHBondContact OH-NE2 3.47Å; Y324-D343 HydrophobicContact CD2-CB 3.93Å; Y324-D343 HydrophobicContact CE2-CB 3.93Å; Y324-D343 HydrophobicContact CG-CB 4.26Å; Y324-V347 HydrophobicContact CD1-CG2 4.23Å; Y324-V347 HydrophobicContact CE1-CG2 4.03Å
325V94.4Very high94.5Very high3 Ų331.6 Ų31.62%0.01818%0.178CC..  trans-75118.8177.2-179.90000109.9C248 H250 M270 T323 G332 V334C248-V325 HydrophobicContact CB-CG2 4.16Å; H250-V325 HydrophobicContact CB-CB 4.18Å; H250-V325 HydrophobicContact CB-CG1 4.49Å; H250-V325 PolarHBondContact CD2-O 2.81Å; M270-V325 HydrophobicContact CE-CG1 4.33Å; T323-V325 PolarHBondContact O-N 3.33Å; V325-G332 WeakPolarHBondContact CG1-O 3.46Å; V325-V334 HydrophobicContact CB-CG2 4.47Å; V325-V334 HydrophobicContact CG1-CG2 4Å; V325-V334 HydrophobicContact CG2-CB 4.43Å; V325-V334 HydrophobicContact CG2-CG2 3.86Å
326T92.8Very high94.8Very high69 Ų6930.4 Ų30.442%0.42317%0.165SC..  trans-106.7173.1-173.7590000113.6Y324 D328Y324-T326 PolarHBondContact O-N 2.98Å; T326-D328 WeakPolarHBondContact CB-OD1 3.47Å; T326-D328 PolarHBondContact OG1-OD1 3.39Å
327E93.1Very high94.9Very high85 Ų8530.3 Ų30.340%0.39717%0.165SC..SBendtrans-91.2-5.9-177.4-71.3172.3154.400114.2K253 M270 A272 R273K253-E327 HydrophobicContact CD-CG 4.25Å; K253-E327 WeakPolarHBondContact CD-OE1 3.5Å; K253-E327 VanDerWaalsContact CE-CD 3.45Å; K253-E327 VanDerWaalsContact CE-OE1 3.23Å; K253-E327 WeakPolarHBondContact CE-OE1 3.02Å; K253-E327 HydrophobicContact CG-CG 4.24Å; K253-E327 IonicContact NZ-OE1 2.83Å; K253-E327 PolarHBondContact NZ-OE1 3.24Å; K253-E327 IonicContact NZ-OE2 3.79Å; K253-E327 PolarHBondContact NZ-OE2 3.44Å; M270-E327 HydrophobicContact CE-CG 4.43Å; M270-E327 HydrophobicContact SD-CB 4.08Å; M270-E327 HydrophobicContact SD-CG 3.53Å; M270-E327 VanDerWaalsContact SD-CG 3.53Å; A272-E327 HydrophobicContact CB-CB 4.27Å; A272-E327 HydrophobicContact CB-CG 4.36Å; R273-E327 WeakPolarHBondContact CD-O 3.45Å
328D89.7Confident94.7Very high109 Ų10930.2 Ų30.258%0.58316%0.164SC*.SBendtrans-99.1-18.5-167.860.1-44.1000114.2R273 T326R273-D328 PolarHBondContact NH1-O 3.26Å; T326-D328 WeakPolarHBondContact CB-OD1 3.47Å; T326-D328 PolarHBondContact OG1-OD1 3.39Å
329V87.7Confident94.5Very high71 Ų7127.7 Ų27.743%0.4316%0.155SC..SBendtrans-129.6147.9-174.2-163.70000112.7W234W234-V329 HydrophobicContact CE3-CG1 4.34Å; W234-V329 HydrophobicContact CH2-CG1 3.75Å; W234-V329 HydrophobicContact CZ3-CG1 3.59Å
330G91.8Very high94.4Very high8 Ų828.5 Ų28.58%0.08216%0.158CC..THydrogen-bonded Turntrans65.7-140.7173.700000114.5R273 S276R273-G330 PolarHBondContact NE-O 3.07Å; R273-G330 PolarHBondContact NH2-O 3.48Å; S276-G330 PolarHBondContact OG-O 2.91Å
331T95.4Very high94.1Very high0 Ų029.1 Ų29.10%017%0.165CC..THydrogen-bonded Turntrans-101.3-1176.4570000113.2I218 I232 W234 M269 M270 V333I218-T331 HydrophobicContact CD1-CG2 3.99Å; I218-T331 HydrophobicContact CG1-CG2 4.34Å; I218-T331 HydrophobicContact CG2-CG2 4.04Å; I232-T331 HydrophobicContact CD1-CG2 4.28Å; I232-T331 HydrophobicContact CG1-CG2 4.31Å; I232-T331 WeakPolarHBondContact O-CB 3.24Å; I232-T331 PolarHBondContact O-OG1 2.82Å; W234-T331 HydrophobicContact CB-CG2 4.11Å; M269-T331 HydrophobicContact CE-CG2 4.32Å; M270-T331 WeakPolarHBondContact CB-O 3.46Å; M270-T331 PolarHBondContact N-O 2.63Å; T331-V333 PolarHBondContact O-N 2.82Å; T331-V333 PolarHBondContact OG1-N 2.85Å; T331-V333 PolarHBondContact OG1-O 2.77Å
332G94.7Very high93.6Very high2 Ų235.3 Ų35.32%0.02119%0.193CC..SBendtrans71.59-167.600000114.2Y255 V325Y255-G332 WeakPolarHBondContact CE1-O 3.45Å; Y255-G332 PolarHBondContact OH-O 3.03Å; V325-G332 WeakPolarHBondContact CG1-O 3.46Å
333V96.5Very high93.4Very high3 Ų337.9 Ų37.92%0.01821%0.207CC..  trans-120.4122.6167.1-177.20000106.9M231 I232 A233 L247 M249 Y255 T331M231-V333 HydrophobicContact CE-CB 4.49Å; M231-V333 HydrophobicContact CE-CG1 3.95Å; M231-V333 HydrophobicContact CE-CG2 3.68Å; I232-V333 WeakPolarHBondContact O-CB 3.41Å; A233-V333 WeakPolarHBondContact CA-O 3.45Å; A233-V333 HydrophobicContact CB-CB 4.49Å; A233-V333 HydrophobicContact CB-CG1 4.26Å; A233-V333 WeakPolarHBondContact CB-O 3.44Å; L247-V333 HydrophobicContact CB-CG1 4.15Å; L247-V333 HydrophobicContact CD1-CG1 4.27Å; L247-V333 HydrophobicContact CD2-CG1 4.34Å; L247-V333 HydrophobicContact CG-CG1 4.49Å; M249-V333 HydrophobicContact CG-CG1 4.45Å; M249-V333 HydrophobicContact CG-CG2 4.33Å; Y255-V333 HydrophobicContact CD1-CG2 4.33Å; Y255-V333 HydrophobicContact CE1-CG2 3.84Å; T331-V333 PolarHBondContact O-N 2.82Å; T331-V333 PolarHBondContact OG1-N 2.85Å; T331-V333 PolarHBondContact OG1-O 2.77Å
334V96.8Very high93.4Very high45 Ų4534.6 Ų34.627%0.27319%0.185SC..EExtended strand (participates in β ladder)trans-106.7126.9-174.7-172.10000109.1L247 C248 Y324 V325L247-V334 CarbonylContact C-O 3.48Å; L247-V334 WeakPolarHBondContact CA-O 3.41Å; C248-V334 PolarHBondContact N-O 3.24Å; C248-V334 PolarHBondContact O-N 3.07Å; Y324-V334 WeakPolarHBondContact OH-CB 3.15Å; Y324-V334 VanDerWaalsContact OH-CG1 3.3Å; Y324-V334 WeakPolarHBondContact OH-CG1 3.41Å; V325-V334 HydrophobicContact CB-CG2 4.47Å; V325-V334 HydrophobicContact CG1-CG2 4Å; V325-V334 HydrophobicContact CG2-CB 4.43Å; V325-V334 HydrophobicContact CG2-CG2 3.86Å
335H97.2Very high93.3Very high10 Ų1033.4 Ų33.45%0.04618%0.181CC..EExtended strand (participates in β ladder)trans-70.8141.2171.8124.588.3000109.4F221 A233 T240 L241 N244 L247F221-H335 HydrophobicContact CZ-CB 4.34Å; A233-H335 HydrophobicContact CB-CB 4.15Å; T240-H335 PolarHBondContact O-CE1 3.22Å; T240-H335 PolarHBondContact OG1-NE2 3.46Å; T240-H335 VanDerWaalsContact OG1-NE2 3.1Å; L241-H335 HydrophobicContact CD2-CB 4.5Å; N244-H335 WeakPolarHBondContact CB-ND1 3.5Å; N244-H335 PolarHBondContact ND2-ND1 3.47Å; L247-H335 HydrophobicContact CD2-CB 4.19Å
336Q96.8Very high93.1Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-111118.4-178.1-58-70.2-91.900110.8N244 L245 A246 C248 Y324 D344N244-Q336 CarbonylContact C-O 3.5Å; N244-Q336 WeakPolarHBondContact CA-O 3.38Å; N244-Q336 PolarHBondContact ND2-N 3.11Å; N244-Q336 PolarHBondContact ND2-O 3.44Å; N244-Q336 VanDerWaalsContact ND2-O 3.11Å; L245-Q336 PolarHBondContact N-O 3.11Å; A246-Q336 HydrophobicContact CB-CB 3.9Å; A246-Q336 HydrophobicContact CB-CG 4.07Å; A246-Q336 WeakPolarHBondContact O-CB 3.42Å; A246-Q336 PolarHBondContact O-N 2.88Å; C248-Q336 HydrophobicContact CB-CG 3.96Å; Y324-Q336 PolarHBondContact OH-NE2 3.47Å; Q336-D344 WeakPolarHBondContact CA-OD2 3.45Å; Q336-D344 VanDerWaalsContact NE2-CG 3.3Å; Q336-D344 PolarHBondContact NE2-OD1 3.33Å
337A95.3Very high93.2Very high1 Ų133.7 Ų33.71%0.00817%0.174CC..  trans-120.585.8169.600000108.9Y339 F340 G341 D344A337-Y339 PolarHBondContact O-N 3.32Å; A337-F340 HydrophobicContact CB-CD2 4.15Å; A337-F340 PolarHBondContact O-N 3.19Å; A337-G341 PolarHBondContact O-N 2.89Å; A337-D344 PolarHBondContact N-OD2 2.91Å
338P92.7Very high93.2Very high0 Ų029.6 Ų29.60%016%0.155CC..THydrogen-bonded Turntrans-61.7-15.5-163.420.7-31.8000115.4L245 F345 C348 V354L245-P338 HydrophobicContact CB-CG 4.41Å; L245-P338 HydrophobicContact CD1-CG 3.74Å; L245-P338 HydrophobicContact CG-CG 4.4Å; P338-F345 HydrophobicContact CB-CD2 4.42Å; P338-F345 WeakPolarHBondContact O-CA 3.35Å; P338-F345 WeakPolarHBondContact O-CB 3.45Å; P338-F345 VanDerWaalsContact O-CD2 3.3Å; P338-F345 WeakPolarHBondContact O-CD2 3.41Å; P338-C348 HydrophobicContact CB-CB 3.86Å; P338-C348 HydrophobicContact CG-CB 4.22Å; P338-V354 HydrophobicContact CB-CG1 4.35Å; P338-V354 HydrophobicContact CB-CG2 4.21Å; P338-V354 HydrophobicContact CG-CG1 4.06Å
339Y92.8Very high93.2Very high2 Ų226.9 Ų26.91%0.00814%0.14CC..THydrogen-bonded Turntrans-97.35.9178.9-56-73.6000113.9L187 L245 A337 F345 V354 M360 I361 K422 A423L187-Y339 HydrophobicContact CD1-CD1 3.93Å; L187-Y339 HydrophobicContact CD1-CE1 3.5Å; L187-Y339 VanDerWaalsContact CD1-CE1 3.5Å; L245-Y339 HydrophobicContact CD1-CE2 4.43Å; A337-Y339 PolarHBondContact O-N 3.32Å; Y339-F345 HydrophobicContact CE1-CE2 4.45Å; Y339-V354 HydrophobicContact CE1-CG1 4.32Å; Y339-V354 HydrophobicContact CE2-CG1 4.01Å; Y339-V354 WeakPolarHBondContact OH-CG1 3.24Å; Y339-M360 HydrophobicContact CD1-CG 3.71Å; Y339-M360 HydrophobicContact CD1-SD 4.42Å; Y339-M360 HydrophobicContact CE1-CB 4.33Å; Y339-M360 HydrophobicContact CE1-CG 3.63Å; Y339-M360 HydrophobicContact CG-CG 4.35Å; Y339-I361 HydrophobicContact CD2-CB 4.37Å; Y339-I361 WeakPolarHBondContact CD2-O 3.46Å; Y339-I361 HydrophobicContact CE2-CB 3.75Å; Y339-I361 HydrophobicContact CE2-CG1 4.44Å; Y339-I361 WeakPolarHBondContact CE2-O 3.38Å; Y339-I361 PolarHBondContact OH-N 3.19Å; Y339-K422 CarbonylContact O-C 3.54Å; Y339-K422 WeakPolarHBondContact O-CA 3.47Å; Y339-A423 HydrophobicContact CD1-CB 3.75Å; Y339-A423 HydrophobicContact CG-CB 4.29Å; Y339-A423 PolarHBondContact O-N 3.35Å
340F94.3Very high93.3Very high16 Ų1632 Ų327%0.0715%0.152CC..THydrogen-bonded Turntrans-1331.9-178.6-54.1-75.5000113.5W239 T240 S243 A337 C362 V364 Y421 K422W239-F340 HydrophobicContact CH2-CB 4.16Å; W239-F340 AromaticContact CH2-CD1 3.42Å; W239-F340 HydrophobicContact CH2-CD1 3.42Å; W239-F340 VanDerWaalsContact CH2-CD1 3.42Å; W239-F340 AromaticContact CH2-CE1 3.93Å; W239-F340 HydrophobicContact CH2-CE1 3.93Å; W239-F340 AromaticContact CH2-CG 3.83Å; W239-F340 HydrophobicContact CH2-CG 3.83Å; W239-F340 AromaticContact CZ3-CD1 3.54Å; W239-F340 HydrophobicContact CZ3-CD1 3.54Å; W239-F340 HydrophobicContact CZ3-CD2 4.33Å; W239-F340 AromaticContact CZ3-CE1 3.61Å; W239-F340 HydrophobicContact CZ3-CE1 3.61Å; W239-F340 HydrophobicContact CZ3-CE2 4.41Å; W239-F340 AromaticContact CZ3-CG 3.91Å; W239-F340 HydrophobicContact CZ3-CG 3.91Å; W239-F340 HydrophobicContact CZ3-CZ 4.05Å; T240-F340 HydrophobicContact CG2-CB 4.13Å; T240-F340 HydrophobicContact CG2-CG 4.43Å; S243-F340 WeakPolarHBondContact OG-CE2 3.41Å; A337-F340 HydrophobicContact CB-CD2 4.15Å; A337-F340 PolarHBondContact O-N 3.19Å; F340-C362 WeakPolarHBondContact CZ-SG 3.33Å; F340-V364 HydrophobicContact CE1-CB 4.19Å; F340-V364 HydrophobicContact CE1-CG2 3.95Å; F340-V364 HydrophobicContact CZ-CB 4.23Å; F340-V364 HydrophobicContact CZ-CG2 3.72Å; F340-Y421 WeakPolarHBondContact CA-O 3.49Å; F340-Y421 WeakPolarHBondContact CD1-O 3.42Å; F340-Y421 VanDerWaalsContact O-CB 3.26Å; F340-Y421 WeakPolarHBondContact O-CB 3.21Å; F340-K422 HydrophobicContact CE1-CG 4.43Å
341G91.4Very high93.4Very high15 Ų1533.6 Ų33.616%0.15516%0.159CC..  trans-144.2138.8175.500000111.5A337 D344 F345A337-G341 PolarHBondContact O-N 2.89Å; G341-D344 PolarHBondContact O-N 3.28Å; G341-F345 WeakPolarHBondContact O-CB 3.41Å; G341-F345 PolarHBondContact O-N 3.33Å
342E88.3Confident93.1Very high144 Ų14436 Ų3667%0.67318%0.183SC*.Hα-helixtrans-68.2-46.8-177.4-175.7173.8-175.600112D344 F345 R346E342-D344 VanDerWaalsContact C-N 3.34Å; E342-F345 PolarHBondContact O-N 3.1Å; E342-R346 WeakPolarHBondContact O-CB 3.16Å; E342-R346 PolarHBondContact O-N 2.82Å
343D91.8Very high92.9Very high65 Ų6536 Ų3635%0.34818%0.183SC..Hα-helixtrans-63.7-41.1173.9-79.3-56.1000111.7Y324 F345 R346 V347Y324-D343 HydrophobicContact CD2-CB 3.93Å; Y324-D343 HydrophobicContact CE2-CB 3.93Å; Y324-D343 HydrophobicContact CG-CB 4.26Å; D343-F345 VanDerWaalsContact C-N 3.3Å; D343-F345 PolarHBondContact O-N 2.83Å; D343-R346 PolarHBondContact O-N 3.16Å; D343-R346 VanDerWaalsContact O-N 3.17Å; D343-R346 IonicContact OD1-CZ 3.59Å; D343-R346 IonicContact OD1-NE 2.67Å; D343-R346 PolarHBondContact OD1-NE 3.42Å; D343-R346 VanDerWaalsContact OD1-NE 3.1Å; D343-R346 IonicContact OD1-NH2 2.78Å; D343-R346 PolarHBondContact OD1-NH2 2.94Å; D343-V347 WeakPolarHBondContact O-CB 3.44Å; D343-V347 VanDerWaalsContact O-CG2 3.31Å; D343-V347 WeakPolarHBondContact O-CG2 3.25Å; D343-V347 PolarHBondContact O-N 2.91Å
344D94.4Very high92.5Very high23 Ų2335.9 Ų35.912%0.12318%0.182CC..Hα-helixtrans-58-45176.6-63.714.6000111.5Q336 A337 G341 E342 C348Q336-D344 WeakPolarHBondContact CA-OD2 3.45Å; Q336-D344 VanDerWaalsContact NE2-CG 3.3Å; Q336-D344 PolarHBondContact NE2-OD1 3.33Å; A337-D344 PolarHBondContact N-OD2 2.91Å; G341-D344 PolarHBondContact O-N 3.28Å; E342-D344 VanDerWaalsContact C-N 3.34Å; D344-C348 VanDerWaalsContact O-CB 3.24Å; D344-C348 WeakPolarHBondContact O-CB 3.45Å; D344-C348 PolarHBondContact O-N 2.87Å; D344-C348 PolarHBondContact O-SG 2.84Å
345F91.3Very high91.5Very high30 Ų3035 Ų3513%0.13218%0.182CC..Hα-helixtrans-60.8-51.7174.8-170.9-110.7000110.8L187 V189 P338 Y339 G341 E342 D343 V347 C348 L349 V354L187-F345 HydrophobicContact CB-CE2 4.11Å; L187-F345 HydrophobicContact CB-CZ 3.9Å; L187-F345 HydrophobicContact CD1-CE2 4.21Å; V189-F345 HydrophobicContact CG2-CB 4.05Å; V189-F345 HydrophobicContact CG2-CG 4.43Å; P338-F345 HydrophobicContact CB-CD2 4.42Å; P338-F345 WeakPolarHBondContact O-CA 3.35Å; P338-F345 WeakPolarHBondContact O-CB 3.45Å; P338-F345 VanDerWaalsContact O-CD2 3.3Å; P338-F345 WeakPolarHBondContact O-CD2 3.41Å; Y339-F345 HydrophobicContact CE1-CE2 4.45Å; G341-F345 WeakPolarHBondContact O-CB 3.41Å; G341-F345 PolarHBondContact O-N 3.33Å; E342-F345 PolarHBondContact O-N 3.1Å; D343-F345 VanDerWaalsContact C-N 3.3Å; D343-F345 PolarHBondContact O-N 2.83Å; F345-V347 PolarHBondContact O-N 3.37Å; F345-C348 PolarHBondContact O-N 2.85Å; F345-L349 HydrophobicContact CE1-CD2 4.01Å; F345-L349 HydrophobicContact CZ-CD2 4.46Å; F345-L349 WeakPolarHBondContact O-CB 3.48Å; F345-L349 PolarHBondContact O-N 2.75Å; F345-V354 HydrophobicContact CD2-CG2 4.36Å; F345-V354 HydrophobicContact CE2-CG2 4.33Å
346R90.5Very high90.1Very high78 Ų7838.4 Ų38.429%0.29420%0.197SC..Hα-helixtrans-56.8-49.2-178.2176.7-178.366.688.8-1.5111.9D322 E342 D343 L349 R350D322-R346 IonicContact OD1-CZ 3.68Å; D322-R346 IonicContact OD1-NH1 3.35Å; D322-R346 PolarHBondContact OD1-NH1 3.35Å; D322-R346 IonicContact OD1-NH2 2.73Å; D322-R346 PolarHBondContact OD1-NH2 3.2Å; D322-R346 IonicContact OD2-CZ 3.98Å; D322-R346 IonicContact OD2-NH1 2.64Å; D322-R346 PolarHBondContact OD2-NH1 2.96Å; D322-R346 IonicContact OD2-NH2 3.18Å; E342-R346 WeakPolarHBondContact O-CB 3.16Å; E342-R346 PolarHBondContact O-N 2.82Å; D343-R346 PolarHBondContact O-N 3.16Å; D343-R346 VanDerWaalsContact O-N 3.17Å; D343-R346 IonicContact OD1-CZ 3.59Å; D343-R346 IonicContact OD1-NE 2.67Å; D343-R346 PolarHBondContact OD1-NE 3.42Å; D343-R346 VanDerWaalsContact OD1-NE 3.1Å; D343-R346 IonicContact OD1-NH2 2.78Å; D343-R346 PolarHBondContact OD1-NH2 2.94Å; R346-L349 PolarHBondContact O-N 3.28Å; R346-R350 WeakPolarHBondContact O-CB 3.27Å; R346-R350 PolarHBondContact O-N 3.04Å
347V94.1Very high88.5Confident0 Ų045.8 Ų45.80%024%0.236CC..Hα-helixtrans-68.6-45.3-177.2173.50000110.6L320 D322 Y324 D343 F345 L349 R350 N351L320-V347 HydrophobicContact CB-CG1 4.16Å; L320-V347 HydrophobicContact CD1-CG1 3.79Å; D322-V347 HydrophobicContact CB-CG1 4.37Å; D322-V347 HydrophobicContact CB-CG2 3.67Å; Y324-V347 HydrophobicContact CD1-CG2 4.23Å; Y324-V347 HydrophobicContact CE1-CG2 4.03Å; D343-V347 WeakPolarHBondContact O-CB 3.44Å; D343-V347 VanDerWaalsContact O-CG2 3.31Å; D343-V347 WeakPolarHBondContact O-CG2 3.25Å; D343-V347 PolarHBondContact O-N 2.91Å; F345-V347 PolarHBondContact O-N 3.37Å; V347-L349 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 2.92Å; V347-R350 PolarHBondContact O-N 2.73Å; V347-N351 WeakPolarHBondContact O-CB 3.29Å; V347-N351 PolarHBondContact O-N 2.87Å; V347-N351 VanDerWaalsContact O-N 3.16Å; V347-N351 PolarHBondContact O-ND2 3.34Å
348C93.9Very high87.3Confident0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-68.2-32.8178.2-66.80000112.3P338 D344 F345 N351 G352 I353 V354P338-C348 HydrophobicContact CB-CB 3.86Å; P338-C348 HydrophobicContact CG-CB 4.22Å; D344-C348 VanDerWaalsContact O-CB 3.24Å; D344-C348 WeakPolarHBondContact O-CB 3.45Å; D344-C348 PolarHBondContact O-N 2.87Å; D344-C348 PolarHBondContact O-SG 2.84Å; F345-C348 PolarHBondContact O-N 2.85Å; C348-N351 PolarHBondContact O-N 2.89Å; C348-G352 PolarHBondContact O-N 3.07Å; C348-G352 VanDerWaalsContact O-N 3.16Å; C348-I353 HydrophobicContact CB-CB 4.13Å; C348-I353 HydrophobicContact CB-CG2 4.47Å; C348-I353 PolarHBondContact O-N 3.2Å; C348-V354 HydrophobicContact CB-CG2 3.62Å; C348-V354 PolarHBondContact O-N 3.26Å
349L89.5Confident86.2Confident51 Ų5152.7 Ų52.727%0.26728%0.28SS..Hα-helixtrans-66.7-48.8175.1-177.267.8000111F345 R346 V347 N351 G352 V354 K356F345-L349 HydrophobicContact CE1-CD2 4.01Å; F345-L349 HydrophobicContact CZ-CD2 4.46Å; F345-L349 WeakPolarHBondContact O-CB 3.48Å; F345-L349 PolarHBondContact O-N 2.75Å; R346-L349 PolarHBondContact O-N 3.28Å; V347-L349 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 2.92Å; L349-N351 PolarHBondContact O-N 3.32Å; L349-G352 PolarHBondContact O-N 3.35Å; L349-G352 VanDerWaalsContact O-N 3.09Å; L349-V354 WeakPolarHBondContact CA-O 3.34Å; L349-V354 HydrophobicContact CB-CG2 4.15Å; L349-V354 WeakPolarHBondContact CD1-O 3.38Å; L349-K356 HydrophobicContact CD1-CG 4.05Å
350R90.1Very high85.6Confident180 Ų18056.3 Ų56.368%0.67930%0.298SS*.Hα-helixtrans-57.3-32.8176.3176.6179.7-89.9174.5-10.2112.3D322 R346 V347D322-R350 IonicContact OD2-NH1 3.76Å; D322-R350 PolarHBondContact OD2-NH1 3.49Å; R346-R350 WeakPolarHBondContact O-CB 3.27Å; R346-R350 PolarHBondContact O-N 3.04Å; V347-R350 PolarHBondContact O-N 2.73Å
351N93.1Very high85Confident41 Ų4156.5 Ų56.522%0.21930%0.299CS..THydrogen-bonded Turntrans-94.65.3-178.7-75.7-80.8000114.1R318 L320 V347 C348 L349 I353R318-N351 PolarHBondContact NH2-O 3.08Å; L320-N351 HydrophobicContact CD1-CB 3.96Å; L320-N351 HydrophobicContact CD2-CB 3.82Å; V347-N351 WeakPolarHBondContact O-CB 3.29Å; V347-N351 PolarHBondContact O-N 2.87Å; V347-N351 VanDerWaalsContact O-N 3.16Å; V347-N351 PolarHBondContact O-ND2 3.34Å; C348-N351 PolarHBondContact O-N 2.89Å; L349-N351 PolarHBondContact O-N 3.32Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 PolarHBondContact O-N 3.37Å
352G89.6Confident84.8Confident50 Ų5056.5 Ų56.552%0.51530%0.297SS..THydrogen-bonded Turntrans69.714.8176.400000115.5C348 L349C348-G352 PolarHBondContact O-N 3.07Å; C348-G352 VanDerWaalsContact O-N 3.16Å; L349-G352 PolarHBondContact O-N 3.35Å; L349-G352 VanDerWaalsContact O-N 3.09Å
353I91Very high84.9Confident1 Ų149.6 Ų49.61%0.00527%0.265CS..SBendtrans-73.8-35.9173-64.3-176.2000110.2L245 A246 R314 A316 R318 L320 C348 N351L245-I353 HydrophobicContact CB-CG2 4Å; L245-I353 HydrophobicContact CD1-CG2 4.37Å; A246-I353 HydrophobicContact CB-CD1 3.72Å; R314-I353 VanDerWaalsContact CD-O 3.24Å; R314-I353 WeakPolarHBondContact CD-O 3.48Å; A316-I353 HydrophobicContact CB-CG2 4.12Å; R318-I353 HydrophobicContact CG-CD1 4.43Å; L320-I353 HydrophobicContact CD1-CD1 3.82Å; L320-I353 HydrophobicContact CD2-CD1 4.25Å; L320-I353 HydrophobicContact CG-CD1 4.36Å; C348-I353 HydrophobicContact CB-CB 4.13Å; C348-I353 HydrophobicContact CB-CG2 4.47Å; C348-I353 PolarHBondContact O-N 3.2Å; N351-I353 VanDerWaalsContact C-N 3.26Å; N351-I353 PolarHBondContact O-N 3.37Å
354V87.7Confident85Confident1 Ų146.7 Ų46.71%0.00625%0.249CC..SBendtrans-118.4140166.5-770000108.2P338 Y339 F345 C348 L349P338-V354 HydrophobicContact CB-CG1 4.35Å; P338-V354 HydrophobicContact CB-CG2 4.21Å; P338-V354 HydrophobicContact CG-CG1 4.06Å; Y339-V354 HydrophobicContact CE1-CG1 4.32Å; Y339-V354 HydrophobicContact CE2-CG1 4.01Å; Y339-V354 WeakPolarHBondContact OH-CG1 3.24Å; F345-V354 HydrophobicContact CD2-CG2 4.36Å; F345-V354 HydrophobicContact CE2-CG2 4.33Å; C348-V354 HydrophobicContact CB-CG2 3.62Å; C348-V354 PolarHBondContact O-N 3.26Å; L349-V354 WeakPolarHBondContact CA-O 3.34Å; L349-V354 HydrophobicContact CB-CG2 4.15Å; L349-V354 WeakPolarHBondContact CD1-O 3.38Å
355G76.4Confident84.7Confident26 Ų2648 Ų4827%0.26826%0.256SS..  trans-111.4158173.300000110.7D357 T358G355-D357 PolarHBondContact O-N 3.2Å; G355-T358 WeakPolarHBondContact CA-OG1 3.48Å; G355-T358 PolarHBondContact N-OG1 3.48Å; G355-T358 PolarHBondContact O-N 3.34Å; G355-T358 PolarHBondContact O-OG1 3.26Å
356K67.3Low84.3Confident82 Ų8249.9 Ų49.936%0.35727%0.271SS..THydrogen-bonded Turntrans-59.7-28.4173.6-66.5-168.7176.6-170.70111.7Y184 L349 D466Y184-K356 HydrophobicContact CE2-CD 4.06Å; L349-K356 HydrophobicContact CD1-CG 4.05Å; K356-D466 IonicContact NZ-OD2 3.81Å
357D63.8Low84Confident155 Ų15550.1 Ų50.183%0.82928%0.278SS*.THydrogen-bonded Turntrans-109.44.5-174.7-39.9-43.3000113.1G355G355-D357 PolarHBondContact O-N 3.2Å
358T70.1Confident83.7Confident49 Ų4950.1 Ų50.130%0.30128%0.278SS..SBendtrans-88145.1-179.554.30000112R314 G355 M360R314-T358 PolarHBondContact NH1-OG1 3.11Å; G355-T358 WeakPolarHBondContact CA-OG1 3.48Å; G355-T358 PolarHBondContact N-OG1 3.48Å; G355-T358 PolarHBondContact O-N 3.34Å; G355-T358 PolarHBondContact O-OG1 3.26Å; T358-M360 PolarHBondContact O-N 3.3Å
359P69.3Low83.7Confident97 Ų9755.7 Ų55.763%0.6330%0.299SS*.PPolyproline II helixtrans-52.7131.7176.7-25.731.8000112.2R314R314-P359 PolarHBondContact NH1-O 3.06Å; R314-P359 PolarHBondContact NH2-O 2.98Å; R314-P359 VanDerWaalsContact NH2-O 3.08Å
360M79.1Confident83.9Confident79 Ų7953.4 Ų53.439%0.38929%0.287SS..PPolyproline II helixtrans-66.8137.6178.4-174.1179.376.500110.5L187 Y339 T358 C362 A423L187-M360 HydrophobicContact CD1-CB 4.11Å; L187-M360 HydrophobicContact CD1-CG 3.89Å; L187-M360 HydrophobicContact CD1-SD 4.16Å; L187-M360 HydrophobicContact CD2-CG 4.39Å; L187-M360 HydrophobicContact CD2-SD 3.68Å; Y339-M360 HydrophobicContact CD1-CG 3.71Å; Y339-M360 HydrophobicContact CD1-SD 4.42Å; Y339-M360 HydrophobicContact CE1-CB 4.33Å; Y339-M360 HydrophobicContact CE1-CG 3.63Å; Y339-M360 HydrophobicContact CG-CG 4.35Å; T358-M360 PolarHBondContact O-N 3.3Å; M360-C362 HydrophobicContact CE-CB 3.43Å; M360-C362 VanDerWaalsContact CE-CB 3.43Å; M360-C362 HydrophobicContact CG-CB 4.03Å; M360-C362 HydrophobicContact SD-CB 3.91Å; M360-A423 HydrophobicContact SD-CB 4.26Å
361I82.1Confident84Confident19 Ų1946.6 Ų46.610%0.09727%0.266CS..  trans-115.979.2176.5-51.4-177.3000108.2F307 L310 Y339F307-I361 HydrophobicContact CD1-CG2 3.68Å; F307-I361 HydrophobicContact CD2-CG2 4.37Å; F307-I361 HydrophobicContact CE1-CG2 3.4Å; F307-I361 HydrophobicContact CE2-CG2 4.12Å; F307-I361 HydrophobicContact CG-CG2 4.17Å; F307-I361 HydrophobicContact CZ-CG2 3.64Å; L310-I361 HydrophobicContact CD1-CD1 3.25Å; L310-I361 HydrophobicContact CD2-CD1 3.68Å; L310-I361 HydrophobicContact CG-CD1 4.03Å; Y339-I361 HydrophobicContact CD2-CB 4.37Å; Y339-I361 WeakPolarHBondContact CD2-O 3.46Å; Y339-I361 HydrophobicContact CE2-CB 3.75Å; Y339-I361 HydrophobicContact CE2-CG1 4.44Å; Y339-I361 WeakPolarHBondContact CE2-O 3.38Å; Y339-I361 PolarHBondContact OH-N 3.19Å
362C87.4Confident83.9Confident15 Ų1551.4 Ų51.410%0.10129%0.292CS..  trans-120.489.6177.4-170.90000108.5F340 M360 V364 K422F340-C362 WeakPolarHBondContact CZ-SG 3.33Å; M360-C362 HydrophobicContact CE-CB 3.43Å; M360-C362 VanDerWaalsContact CE-CB 3.43Å; M360-C362 HydrophobicContact CG-CB 4.03Å; M360-C362 HydrophobicContact SD-CB 3.91Å; C362-V364 PolarHBondContact O-N 2.83Å; C362-K422 VanDerWaalsContact SG-CE 3.58Å
363P91.6Very high83.9Confident0 Ų054.3 Ų54.30%029%0.292CS..  trans-77.235-175.333.8-37.9000112.6S243 F307 F370 T371 I374S243-P363 WeakPolarHBondContact OG-CG 3.3Å; F307-P363 HydrophobicContact CE2-CG 4.13Å; F307-P363 HydrophobicContact CZ-CB 4.08Å; F307-P363 HydrophobicContact CZ-CG 3.93Å; P363-F370 CarbonylContact O-C 3.56Å; P363-F370 VanDerWaalsContact O-CA 3.29Å; P363-F370 WeakPolarHBondContact O-CA 3.44Å; P363-F370 WeakPolarHBondContact O-CD1 3.44Å; P363-T371 WeakPolarHBondContact CA-OG1 3.22Å; P363-T371 WeakPolarHBondContact CB-OG1 3.46Å; P363-T371 PolarHBondContact O-N 2.59Å; P363-T371 PolarHBondContact O-OG1 3.29Å; P363-I374 HydrophobicContact CB-CD1 3.83Å; P363-I374 HydrophobicContact CB-CG1 3.54Å; P363-I374 HydrophobicContact CG-CD1 3.96Å; P363-I374 HydrophobicContact CG-CG1 4.01Å
364V92.2Very high84Confident3 Ų354.2 Ų54.22%0.01829%0.292CS..BIsolated β-bridgetrans-131.5117-178.4-179.20000108.2W239 F340 C362 R369 F370 V382 I420 K422W239-V364 HydrophobicContact CZ3-CG2 4.32Å; F340-V364 HydrophobicContact CE1-CB 4.19Å; F340-V364 HydrophobicContact CE1-CG2 3.95Å; F340-V364 HydrophobicContact CZ-CB 4.23Å; F340-V364 HydrophobicContact CZ-CG2 3.72Å; C362-V364 PolarHBondContact O-N 2.83Å; V364-R369 CarbonylContact C-O 3.46Å; V364-R369 WeakPolarHBondContact CA-O 3.46Å; V364-F370 HydrophobicContact CG2-CD1 3.98Å; V364-F370 HydrophobicContact CG2-CE1 3.9Å; V364-V382 HydrophobicContact CG1-CG1 3.97Å; V364-V382 HydrophobicContact CG2-CG1 3.92Å; V364-I420 HydrophobicContact CG1-CD1 4.4Å; V364-K422 WeakPolarHBondContact O-CE 3.49Å; V364-K422 PolarHBondContact O-NZ 2.77Å
365N88.3Confident84.1Confident51 Ų5162.4 Ų62.427%0.27333%0.327SS..  trans-71.1172.7179.474.415.9000111.7N367 G368 R369 T371 K422N365-N367 PolarHBondContact O-N 3.42Å; N365-N367 PolarHBondContact OD1-N 3.49Å; N365-G368 PolarHBondContact O-N 3.46Å; N365-G368 VanDerWaalsContact O-N 3.1Å; N365-G368 PolarHBondContact OD1-N 2.72Å; N365-R369 PolarHBondContact N-O 3.12Å; N365-R369 PolarHBondContact OD1-N 3.18Å; N365-R369 PolarHBondContact OD1-O 3.45Å; N365-T371 HydrophobicContact CB-CG2 4.46Å; N365-K422 PolarHBondContact O-NZ 3.5Å
366P82.8Confident84.8Confident69 Ų6965.7 Ų65.745%0.44834%0.338SS..THydrogen-bonded Turntrans-57.5-26.3179.3-27.937.1000114.5F192 G368F192-P366 WeakPolarHBondContact CE1-O 3.42Å; F192-P366 HydrophobicContact CZ-CB 4.32Å; P366-G368 PolarHBondContact O-N 2.99Å
367N84.6Confident86.1Confident83 Ų8362.1 Ų62.144%0.44432%0.323SS..THydrogen-bonded Turntrans-85.911.6179.9-58.8-15.2000112.7S197 N365 R369S197-N367 PolarHBondContact OG-OD1 3.41Å; N365-N367 PolarHBondContact O-N 3.42Å; N365-N367 PolarHBondContact OD1-N 3.49Å; N367-R369 VanDerWaalsContact C-N 3.33Å; N367-R369 PolarHBondContact O-N 3.33Å
368G88.9Confident87.5Confident0 Ų056.8 Ų56.80%030%0.3CS..SBendtrans7025.8-179.500000114.2N365 P366 Y381 V382N365-G368 PolarHBondContact O-N 3.46Å; N365-G368 VanDerWaalsContact O-N 3.1Å; N365-G368 PolarHBondContact OD1-N 2.72Å; P366-G368 PolarHBondContact O-N 2.99Å; G368-Y381 WeakPolarHBondContact O-CA 3.44Å; G368-Y381 WeakPolarHBondContact O-CD2 3.41Å; G368-V382 WeakPolarHBondContact O-CG1 3.48Å; G368-V382 PolarHBondContact O-N 3Å
369R92.4Very high88.5Confident117 Ų11756.1 Ų56.144%0.44230%0.303SS..BIsolated β-bridgetrans-109.5146.8178.1-65.2173.8176.1-91.4-1.5111.5V364 N365 N367 G379 M380V364-R369 CarbonylContact C-O 3.46Å; V364-R369 WeakPolarHBondContact CA-O 3.46Å; N365-R369 PolarHBondContact N-O 3.12Å; N365-R369 PolarHBondContact OD1-N 3.18Å; N365-R369 PolarHBondContact OD1-O 3.45Å; N367-R369 VanDerWaalsContact C-N 3.33Å; N367-R369 PolarHBondContact O-N 3.33Å; R369-G379 VanDerWaalsContact CD-O 3.31Å; R369-G379 WeakPolarHBondContact CD-O 3.39Å; R369-G379 PolarHBondContact NH1-O 2.96Å; R369-M380 CarbonylContact C-O 3.53Å; R369-M380 WeakPolarHBondContact CA-O 3.37Å
370F95.1Very high89.7Confident3 Ų354.1 Ų54.11%0.01329%0.286CS..BIsolated β-bridgetrans-65.7140.4178-75-62.6000112.6W239 V242 P363 V364 I374 F377 G379 M380 V382 A385 I389W239-F370 HydrophobicContact CB-CZ 4.12Å; V242-F370 HydrophobicContact CG2-CD1 4.35Å; V242-F370 HydrophobicContact CG2-CE1 3.5Å; V242-F370 VanDerWaalsContact CG2-CE1 3.5Å; V242-F370 HydrophobicContact CG2-CZ 3.91Å; P363-F370 CarbonylContact O-C 3.56Å; P363-F370 VanDerWaalsContact O-CA 3.29Å; P363-F370 WeakPolarHBondContact O-CA 3.44Å; P363-F370 WeakPolarHBondContact O-CD1 3.44Å; V364-F370 HydrophobicContact CG2-CD1 3.98Å; V364-F370 HydrophobicContact CG2-CE1 3.9Å; F370-I374 HydrophobicContact CB-CB 4.19Å; F370-I374 HydrophobicContact CD1-CB 4.3Å; F370-I374 HydrophobicContact CD1-CG1 4Å; F370-I374 HydrophobicContact CD1-CG2 4.28Å; F370-I374 HydrophobicContact CG-CB 4.37Å; F370-I374 HydrophobicContact CG-CG2 4.28Å; F370-F377 WeakPolarHBondContact CB-O 3.38Å; F370-F377 HydrophobicContact CD2-CB 3.76Å; F370-F377 HydrophobicContact CE2-CB 4.26Å; F370-F377 HydrophobicContact CG-CB 4.46Å; F370-G379 PolarHBondContact O-N 3.24Å; F370-M380 PolarHBondContact N-O 3.18Å; F370-V382 HydrophobicContact CE1-CG1 4.26Å; F370-V382 HydrophobicContact CE2-CG1 4.21Å; F370-V382 HydrophobicContact CZ-CG1 4Å; F370-A385 HydrophobicContact CD2-CB 4.12Å; F370-A385 HydrophobicContact CE2-CB 3.58Å; F370-I389 HydrophobicContact CE2-CD1 4.21Å; F370-I389 HydrophobicContact CZ-CD1 4.3Å
371T92.3Very high90.3Very high38 Ų3852.1 Ų52.123%0.23328%0.275CS..  trans-78.8169.5173.755.40000111.8P363 N365 E373 I374P363-T371 WeakPolarHBondContact CA-OG1 3.22Å; P363-T371 WeakPolarHBondContact CB-OG1 3.46Å; P363-T371 PolarHBondContact O-N 2.59Å; P363-T371 PolarHBondContact O-OG1 3.29Å; N365-T371 HydrophobicContact CB-CG2 4.46Å; T371-E373 PolarHBondContact O-N 3.09Å; T371-E373 VanDerWaalsContact O-N 3.09Å; T371-E373 PolarHBondContact OG1-OE2 3.24Å; T371-I374 PolarHBondContact O-N 2.97Å
372D90.2Very high90.9Very high142 Ų14251.2 Ų51.276%0.75927%0.27SS*.THydrogen-bonded Turntrans-62.6-17.8-175.9-61.1-27.8000114.3I374D372-I374 PolarHBondContact O-N 3.32Å
373E89.3Confident91.1Very high110 Ų11052.2 Ų52.251%0.51427%0.273SS..THydrogen-bonded Turntrans-60.3-30.4174-61.916014100111.5Y306 T371 K375Y306-E373 WeakPolarHBondContact CD1-O 3.43Å; T371-E373 PolarHBondContact O-N 3.09Å; T371-E373 VanDerWaalsContact O-N 3.09Å; T371-E373 PolarHBondContact OG1-OE2 3.24Å; E373-K375 PolarHBondContact O-N 3.11Å
374I93.4Very high91.1Very high0 Ų057 Ų570%030%0.298CS..SBendtrans-98.573.6-178.3-49.7-58.4000109.6V242 Y306 F307 P363 F370 T371 D372 D376 F377 A378V242-I374 HydrophobicContact CB-CD1 4.36Å; V242-I374 HydrophobicContact CG1-CG2 4.42Å; V242-I374 HydrophobicContact CG2-CD1 4.33Å; Y306-I374 HydrophobicContact CD2-CD1 3.72Å; Y306-I374 HydrophobicContact CD2-CG2 4.44Å; Y306-I374 HydrophobicContact CE2-CD1 4.26Å; Y306-I374 HydrophobicContact CE2-CG2 3.9Å; Y306-I374 HydrophobicContact CG-CD1 3.89Å; F307-I374 HydrophobicContact CE2-CD1 3.86Å; F307-I374 HydrophobicContact CZ-CD1 3.85Å; P363-I374 HydrophobicContact CB-CD1 3.83Å; P363-I374 HydrophobicContact CB-CG1 3.54Å; P363-I374 HydrophobicContact CG-CD1 3.96Å; P363-I374 HydrophobicContact CG-CG1 4.01Å; F370-I374 HydrophobicContact CB-CB 4.19Å; F370-I374 HydrophobicContact CD1-CB 4.3Å; F370-I374 HydrophobicContact CD1-CG1 4Å; F370-I374 HydrophobicContact CD1-CG2 4.28Å; F370-I374 HydrophobicContact CG-CB 4.37Å; F370-I374 HydrophobicContact CG-CG2 4.28Å; T371-I374 PolarHBondContact O-N 2.97Å; D372-I374 PolarHBondContact O-N 3.32Å; I374-D376 VanDerWaalsContact C-N 3.3Å; I374-D376 PolarHBondContact O-N 3.24Å; I374-D376 VanDerWaalsContact O-N 3.14Å; I374-F377 HydrophobicContact CG2-CB 4.14Å; I374-F377 HydrophobicContact CG2-CD2 3.72Å; I374-F377 HydrophobicContact CG2-CG 4.41Å; I374-F377 CarbonylContact O-C 3.54Å; I374-F377 PolarHBondContact O-N 3.35Å; I374-A378 WeakPolarHBondContact O-CA 3.46Å; I374-A378 PolarHBondContact O-N 2.7Å
375K89.8Confident91.3Very high172 Ų17256.9 Ų56.975%0.74830%0.297SS*.THydrogen-bonded Turntrans-51.2-41.3-170.6-61.7-177.1-178.2-178.90114.9E373 F377E373-K375 PolarHBondContact O-N 3.11Å; K375-F377 VanDerWaalsContact C-N 3.26Å; K375-F377 PolarHBondContact O-N 3.12Å
376D91.3Very high91.6Very high95 Ų9554.8 Ų54.851%0.50829%0.286SS..THydrogen-bonded Turntrans-71.3-21.3-175.5-62.9-18.5000113.3Y306 I374 N392Y306-D376 WeakPolarHBondContact OH-CB 3.44Å; Y306-D376 PolarHBondContact OH-N 3.23Å; Y306-D376 PolarHBondContact OH-OD2 3.04Å; I374-D376 VanDerWaalsContact C-N 3.3Å; I374-D376 PolarHBondContact O-N 3.24Å; I374-D376 VanDerWaalsContact O-N 3.14Å; D376-N392 PolarHBondContact OD2-ND2 3.1Å; D376-N392 VanDerWaalsContact OD2-ND2 3.15Å
377F94.1Very high92.1Very high8 Ų858 Ų584%0.03529%0.293CS..THydrogen-bonded Turntrans-132.312.5-171.8-44.3-62.9000113.1V242 F304 F370 I374 K375 G379 M380 F388 I389 N392V242-F377 HydrophobicContact CG1-CD2 4.27Å; V242-F377 HydrophobicContact CG1-CE2 4.21Å; F304-F377 AromaticContact CE1-CE2 3.82Å; F304-F377 HydrophobicContact CE1-CE2 3.82Å; F304-F377 HydrophobicContact CE1-CZ 4.15Å; F304-F377 HydrophobicContact CZ-CE2 4.16Å; F304-F377 HydrophobicContact CZ-CZ 4.46Å; F370-F377 WeakPolarHBondContact CB-O 3.38Å; F370-F377 HydrophobicContact CD2-CB 3.76Å; F370-F377 HydrophobicContact CE2-CB 4.26Å; F370-F377 HydrophobicContact CG-CB 4.46Å; I374-F377 HydrophobicContact CG2-CB 4.14Å; I374-F377 HydrophobicContact CG2-CD2 3.72Å; I374-F377 HydrophobicContact CG2-CG 4.41Å; I374-F377 CarbonylContact O-C 3.54Å; I374-F377 PolarHBondContact O-N 3.35Å; K375-F377 VanDerWaalsContact C-N 3.26Å; K375-F377 PolarHBondContact O-N 3.12Å; F377-G379 PolarHBondContact O-N 2.83Å; F377-M380 HydrophobicContact CB-SD 4.36Å; F377-M380 VanDerWaalsContact O-CB 3.24Å; F377-M380 WeakPolarHBondContact O-CB 3.18Å; F377-M380 WeakPolarHBondContact O-CG 3.39Å; F377-M380 PolarHBondContact O-N 2.98Å; F377-F388 HydrophobicContact CD1-CB 4.16Å; F377-F388 HydrophobicContact CE1-CB 3.87Å; F377-I389 HydrophobicContact CD1-CG1 4.34Å; F377-I389 HydrophobicContact CD2-CD1 4.34Å; F377-I389 HydrophobicContact CD2-CG1 3.93Å; F377-I389 HydrophobicContact CE1-CG1 3.99Å; F377-I389 HydrophobicContact CE2-CD1 4.35Å; F377-I389 HydrophobicContact CE2-CG1 3.56Å; F377-I389 HydrophobicContact CG-CG1 4.32Å; F377-I389 HydrophobicContact CZ-CB 4.42Å; F377-I389 HydrophobicContact CZ-CG1 3.59Å; F377-N392 HydrophobicContact CZ-CB 4.09Å
378A92.8Very high92.6Very high42 Ų4258.2 Ų58.235%0.34729%0.29SS..THydrogen-bonded Turntrans-53.6134.2-174.900000111.4I374 M380I374-A378 WeakPolarHBondContact O-CA 3.46Å; I374-A378 PolarHBondContact O-N 2.7Å; A378-M380 PolarHBondContact O-N 3.14Å
379G91.3Very high92.9Very high36 Ų3658.2 Ų58.237%0.37129%0.29SS..THydrogen-bonded Turntrans74.7-8.5-17800000115.8R369 F370 F377R369-G379 VanDerWaalsContact CD-O 3.31Å; R369-G379 WeakPolarHBondContact CD-O 3.39Å; R369-G379 PolarHBondContact NH1-O 2.96Å; F370-G379 PolarHBondContact O-N 3.24Å; F377-G379 PolarHBondContact O-N 2.83Å
380M94.3Very high93Very high54 Ų5452.9 Ų52.927%0.26627%0.271SS..  trans-77.1143.7177.6-59.9-173.467.200111.6R369 F370 F377 A378 A385 F388R369-M380 CarbonylContact C-O 3.53Å; R369-M380 WeakPolarHBondContact CA-O 3.37Å; F370-M380 PolarHBondContact N-O 3.18Å; F377-M380 HydrophobicContact CB-SD 4.36Å; F377-M380 VanDerWaalsContact O-CB 3.24Å; F377-M380 WeakPolarHBondContact O-CB 3.18Å; F377-M380 WeakPolarHBondContact O-CG 3.39Å; F377-M380 PolarHBondContact O-N 2.98Å; A378-M380 PolarHBondContact O-N 3.14Å; M380-A385 HydrophobicContact CB-CB 4.38Å; M380-F388 HydrophobicContact CE-CD2 3.38Å; M380-F388 HydrophobicContact CE-CE2 3.45Å; M380-F388 VanDerWaalsContact CE-CE2 3.45Å; M380-F388 HydrophobicContact CE-CG 4.26Å; M380-F388 HydrophobicContact CE-CZ 4.35Å; M380-F388 HydrophobicContact SD-CD2 4.45Å
381Y93.1Very high93Very high38 Ų3857.6 Ų57.615%0.14929%0.293CS..BIsolated β-bridgetrans-67.7138.8171.7-178.3-117.9000110.3T194 G368 K383 D384 A385T194-Y381 HydrophobicContact CG2-CE2 4.05Å; T194-Y381 PolarHBondContact OG1-OH 3.4Å; T194-Y381 VanDerWaalsContact OG1-OH 3.04Å; G368-Y381 WeakPolarHBondContact O-CA 3.44Å; G368-Y381 WeakPolarHBondContact O-CD2 3.41Å; Y381-K383 VanDerWaalsContact C-N 3.35Å; Y381-K383 HydrophobicContact CD1-CB 4Å; Y381-K383 HydrophobicContact CE1-CB 3.69Å; Y381-K383 HydrophobicContact CE1-CG 4.05Å; Y381-K383 PolarHBondContact O-N 2.92Å; Y381-D384 PolarHBondContact O-N 2.72Å; Y381-A385 PolarHBondContact O-N 2.77Å
382V94.2Very high93.2Very high0 Ų057.1 Ų57.10%029%0.289CS..Hα-helixtrans-55.4-42.7-170.7-72.60000113.9W239 V364 G368 F370 A385 D386 I420W239-V382 HydrophobicContact CB-CB 4.05Å; W239-V382 WeakPolarHBondContact CB-O 3.26Å; W239-V382 HydrophobicContact CD2-CB 3.77Å; W239-V382 HydrophobicContact CD2-CG1 4.1Å; W239-V382 HydrophobicContact CD2-CG2 4.34Å; W239-V382 HydrophobicContact CE3-CB 3.88Å; W239-V382 HydrophobicContact CE3-CG1 3.66Å; W239-V382 HydrophobicContact CG-CB 3.86Å; W239-V382 HydrophobicContact CZ3-CG1 4.16Å; V364-V382 HydrophobicContact CG1-CG1 3.97Å; V364-V382 HydrophobicContact CG2-CG1 3.92Å; G368-V382 WeakPolarHBondContact O-CG1 3.48Å; G368-V382 PolarHBondContact O-N 3Å; F370-V382 HydrophobicContact CE1-CG1 4.26Å; F370-V382 HydrophobicContact CE2-CG1 4.21Å; F370-V382 HydrophobicContact CZ-CG1 4Å; V382-A385 WeakPolarHBondContact O-CB 3.38Å; V382-A385 PolarHBondContact O-N 3.11Å; V382-D386 PolarHBondContact O-N 3.2Å; V382-I420 HydrophobicContact CG2-CG2 4.21Å
383K91.3Very high93.4Very high36 Ų3650.4 Ų50.416%0.15725%0.253CS..Hα-helixtrans-72.1-32.6178.8-72.3-70.6-166.9169.70112.7D214 Y381 A385 D386D214-K383 IonicContact OD1-NZ 3.02Å; D214-K383 PolarHBondContact OD1-NZ 2.87Å; D214-K383 IonicContact OD2-NZ 3.54Å; Y381-K383 VanDerWaalsContact C-N 3.35Å; Y381-K383 HydrophobicContact CD1-CB 4Å; Y381-K383 HydrophobicContact CE1-CB 3.69Å; Y381-K383 HydrophobicContact CE1-CG 4.05Å; Y381-K383 PolarHBondContact O-N 2.92Å; K383-A385 VanDerWaalsContact C-N 3.28Å; K383-A385 PolarHBondContact O-N 3.09Å; K383-D386 WeakPolarHBondContact O-CB 3.47Å; K383-D386 PolarHBondContact O-N 2.84Å
384D92.3Very high93.6Very high100 Ų10052.2 Ų52.254%0.53526%0.259SS..Hα-helixtrans-69.5-32.5175.2-63.6-20.9000110.9Y381 D386 F388Y381-D384 PolarHBondContact O-N 2.72Å; D384-D386 VanDerWaalsContact C-N 3.3Å; D384-D386 PolarHBondContact O-N 3.45Å; D384-F388 WeakPolarHBondContact O-CD2 3.38Å
385A94.9Very high93.6Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-69.6-2317800000113.4F370 M380 Y381 V382 K383 K387 F388 I389F370-A385 HydrophobicContact CD2-CB 4.12Å; F370-A385 HydrophobicContact CE2-CB 3.58Å; M380-A385 HydrophobicContact CB-CB 4.38Å; Y381-A385 PolarHBondContact O-N 2.77Å; V382-A385 WeakPolarHBondContact O-CB 3.38Å; V382-A385 PolarHBondContact O-N 3.11Å; K383-A385 VanDerWaalsContact C-N 3.28Å; K383-A385 PolarHBondContact O-N 3.09Å; A385-K387 PolarHBondContact O-N 3.02Å; A385-K387 VanDerWaalsContact O-N 3.15Å; A385-F388 PolarHBondContact O-N 2.74Å; A385-I389 HydrophobicContact CB-CD1 4.04Å; A385-I389 WeakPolarHBondContact O-CB 3.33Å; A385-I389 WeakPolarHBondContact O-CG1 3.49Å; A385-I389 PolarHBondContact O-N 3.14Å
386D94.6Very high93.7Very high7 Ų758 Ų584%0.03729%0.285CS..Hα-helixtrans-51.6-42.8-178.6-80.2-35.1000112.2P215 P238 W239 V382 K383 D384 I389 C390P215-D386 HydrophobicContact CG-CB 4.35Å; P238-D386 HydrophobicContact CB-CB 4.38Å; P238-D386 WeakPolarHBondContact CB-OD1 3.45Å; P238-D386 VanDerWaalsContact CD-OD1 3.24Å; P238-D386 WeakPolarHBondContact CD-OD1 3.46Å; P238-D386 HydrophobicContact CG-CB 4.26Å; W239-D386 WeakPolarHBondContact CB-OD1 3.4Å; W239-D386 PolarHBondContact N-OD1 3.01Å; V382-D386 PolarHBondContact O-N 3.2Å; K383-D386 WeakPolarHBondContact O-CB 3.47Å; K383-D386 PolarHBondContact O-N 2.84Å; D384-D386 VanDerWaalsContact C-N 3.3Å; D384-D386 PolarHBondContact O-N 3.45Å; D386-I389 PolarHBondContact O-N 2.8Å; D386-C390 WeakPolarHBondContact O-CB 3.3Å; D386-C390 PolarHBondContact O-N 3.35Å; D386-C390 PolarHBondContact O-SG 3.31Å
387K93.5Very high93.6Very high137 Ų13755.2 Ų55.260%0.59628%0.28SS*.Hα-helixtrans-61.5-46.2177.5-178.4-178.7177.3-177.60111.9A385 C390 Q391A385-K387 PolarHBondContact O-N 3.02Å; A385-K387 VanDerWaalsContact O-N 3.15Å; K387-C390 PolarHBondContact O-N 3.36Å; K387-Q391 WeakPolarHBondContact O-CG 3.41Å; K387-Q391 PolarHBondContact O-N 3.19Å; K387-Q391 VanDerWaalsContact O-N 3.08Å
388F95.3Very high93.6Very high88 Ų8856.7 Ų56.739%0.38629%0.286SS..Hα-helixtrans-73.7-34.6-177.3-62-79000111.9F377 M380 D384 A385 Q391 N392F377-F388 HydrophobicContact CD1-CB 4.16Å; F377-F388 HydrophobicContact CE1-CB 3.87Å; M380-F388 HydrophobicContact CE-CD2 3.38Å; M380-F388 HydrophobicContact CE-CE2 3.45Å; M380-F388 VanDerWaalsContact CE-CE2 3.45Å; M380-F388 HydrophobicContact CE-CG 4.26Å; M380-F388 HydrophobicContact CE-CZ 4.35Å; M380-F388 HydrophobicContact SD-CD2 4.45Å; D384-F388 WeakPolarHBondContact O-CD2 3.38Å; A385-F388 PolarHBondContact O-N 2.74Å; F388-Q391 PolarHBondContact O-N 2.86Å; F388-N392 WeakPolarHBondContact O-CB 3.4Å; F388-N392 PolarHBondContact O-N 2.8Å
389I95.9Very high93.7Very high0 Ų056.1 Ų56.10%028%0.277CS..Hα-helixtrans-62.4-47.3172.6-72.4171000110.2P238 W239 V242 F304 F370 F377 A385 D386 Q391 N392 L393P238-I389 HydrophobicContact CB-CG2 4.01Å; W239-I389 HydrophobicContact CB-CD1 4.19Å; V242-I389 HydrophobicContact CG1-CD1 4.17Å; F304-I389 HydrophobicContact CE2-CG2 4.19Å; F304-I389 HydrophobicContact CZ-CG2 3.98Å; F370-I389 HydrophobicContact CE2-CD1 4.21Å; F370-I389 HydrophobicContact CZ-CD1 4.3Å; F377-I389 HydrophobicContact CD1-CG1 4.34Å; F377-I389 HydrophobicContact CD2-CD1 4.34Å; F377-I389 HydrophobicContact CD2-CG1 3.93Å; F377-I389 HydrophobicContact CE1-CG1 3.99Å; F377-I389 HydrophobicContact CE2-CD1 4.35Å; F377-I389 HydrophobicContact CE2-CG1 3.56Å; F377-I389 HydrophobicContact CG-CG1 4.32Å; F377-I389 HydrophobicContact CZ-CB 4.42Å; F377-I389 HydrophobicContact CZ-CG1 3.59Å; A385-I389 HydrophobicContact CB-CD1 4.04Å; A385-I389 WeakPolarHBondContact O-CB 3.33Å; A385-I389 WeakPolarHBondContact O-CG1 3.49Å; A385-I389 PolarHBondContact O-N 3.14Å; D386-I389 PolarHBondContact O-N 2.8Å; I389-Q391 VanDerWaalsContact C-N 3.32Å; I389-Q391 PolarHBondContact O-N 3.33Å; I389-N392 PolarHBondContact O-N 3.07Å; I389-L393 HydrophobicContact CG2-CD1 3.97Å; I389-L393 HydrophobicContact CG2-CG 4.49Å; I389-L393 VanDerWaalsContact O-CG 3.29Å; I389-L393 WeakPolarHBondContact O-CG 3.21Å; I389-L393 PolarHBondContact O-N 3.44Å
390C94.4Very high93.8Very high4 Ų455 Ų553%0.02726%0.263CS..Hα-helixtrans-60.3-41.5175.4-66.80000111.9D386 K387 L393 K394D386-C390 WeakPolarHBondContact O-CB 3.3Å; D386-C390 PolarHBondContact O-N 3.35Å; D386-C390 PolarHBondContact O-SG 3.31Å; K387-C390 PolarHBondContact O-N 3.36Å; C390-L393 PolarHBondContact O-N 3.29Å; C390-K394 WeakPolarHBondContact O-CB 3.38Å; C390-K394 PolarHBondContact O-N 3.23Å
391Q94.9Very high93.7Very high103 Ų10356.5 Ų56.548%0.48127%0.269SS..Hα-helixtrans-62.6-42.7175.5-73.7175.1-3.200112.2K387 F388 I389 K394 K395K387-Q391 WeakPolarHBondContact O-CG 3.41Å; K387-Q391 PolarHBondContact O-N 3.19Å; K387-Q391 VanDerWaalsContact O-N 3.08Å; F388-Q391 PolarHBondContact O-N 2.86Å; I389-Q391 VanDerWaalsContact C-N 3.32Å; I389-Q391 PolarHBondContact O-N 3.33Å; Q391-K394 PolarHBondContact O-N 3.4Å; Q391-K395 WeakPolarHBondContact O-CB 3.08Å; Q391-K395 PolarHBondContact O-N 3.15Å
392N95.5Very high93.7Very high28 Ų2859.7 Ų59.715%0.1529%0.286CS..Hα-helixtrans-63.5-46.2177.1-172.9-52000111.1F304 D376 F377 F388 I389 K394 K395 H396F304-N392 HydrophobicContact CE1-CB 4.5Å; D376-N392 PolarHBondContact OD2-ND2 3.1Å; D376-N392 VanDerWaalsContact OD2-ND2 3.15Å; F377-N392 HydrophobicContact CZ-CB 4.09Å; F388-N392 WeakPolarHBondContact O-CB 3.4Å; F388-N392 PolarHBondContact O-N 2.8Å; I389-N392 PolarHBondContact O-N 3.07Å; N392-K394 VanDerWaalsContact C-N 3.31Å; N392-K394 PolarHBondContact O-N 2.71Å; N392-K395 WeakPolarHBondContact O-CB 3.31Å; N392-K395 PolarHBondContact O-N 3.17Å; N392-H396 PolarHBondContact O-N 3.07Å; N392-H396 PolarHBondContact O-ND1 3.36Å; N392-H396 PolarHBondContact OD1-CE1 2.82Å; N392-H396 VanDerWaalsContact OD1-CE1 3.26Å; N392-H396 PolarHBondContact OD1-ND1 3.23Å
393L95.1Very high93.6Very high1 Ų161.9 Ų61.91%0.00530%0.301CS..Hα-helixtrans-60.8-39.5176.1-68.9168.8000112.2V219 L241 P303 F304 I389 C390 H396 G397 K398 L399V219-L393 HydrophobicContact CG1-CD1 4.47Å; V219-L393 HydrophobicContact CG1-CD2 4.12Å; V219-L393 HydrophobicContact CG2-CD1 4.06Å; L241-L393 HydrophobicContact CD1-CD1 3.64Å; P303-L393 HydrophobicContact CB-CD2 3.82Å; F304-L393 HydrophobicContact CE2-CD2 4.01Å; F304-L393 HydrophobicContact CE2-CG 4.41Å; F304-L393 HydrophobicContact CZ-CD2 4.1Å; F304-L393 HydrophobicContact CZ-CG 4.21Å; I389-L393 HydrophobicContact CG2-CD1 3.97Å; I389-L393 HydrophobicContact CG2-CG 4.49Å; I389-L393 VanDerWaalsContact O-CG 3.29Å; I389-L393 WeakPolarHBondContact O-CG 3.21Å; I389-L393 PolarHBondContact O-N 3.44Å; C390-L393 PolarHBondContact O-N 3.29Å; L393-H396 PolarHBondContact O-N 2.86Å; L393-G397 PolarHBondContact O-N 3.43Å; L393-K398 HydrophobicContact CD2-CB 4.18Å; L393-K398 PolarHBondContact O-N 3.42Å; L393-L399 HydrophobicContact CB-CB 4.04Å; L393-L399 PolarHBondContact O-N 3.19Å
394K94.1Very high93.7Very high148 Ų14864.8 Ų64.864%0.64332%0.322SS*.Hα-helixtrans-66-44.7175.5-169.2175-177.8176.40111.5C390 Q391 N392 H396 G397 L399C390-K394 WeakPolarHBondContact O-CB 3.38Å; C390-K394 PolarHBondContact O-N 3.23Å; Q391-K394 PolarHBondContact O-N 3.4Å; N392-K394 VanDerWaalsContact C-N 3.31Å; N392-K394 PolarHBondContact O-N 2.71Å; K394-H396 VanDerWaalsContact C-N 3.26Å; K394-H396 PolarHBondContact O-N 3.35Å; K394-G397 PolarHBondContact O-N 3.36Å; K394-G397 VanDerWaalsContact O-N 3.07Å; K394-L399 HydrophobicContact CB-CB 4.23Å; K394-L399 HydrophobicContact CB-CD2 3.92Å; K394-L399 HydrophobicContact CG-CD2 4.46Å
395K93.3Very high93.7Very high178 Ų17863.1 Ų63.177%0.77431%0.312SS*.Hα-helixtrans-58.5-37.5177.5-175.6-178177-1750112.1Q391 N392 G397Q391-K395 WeakPolarHBondContact O-CB 3.08Å; Q391-K395 PolarHBondContact O-N 3.15Å; N392-K395 WeakPolarHBondContact O-CB 3.31Å; N392-K395 PolarHBondContact O-N 3.17Å; K395-G397 VanDerWaalsContact C-N 3.35Å
396H91.4Very high93.6Very high114 Ų11467.2 Ų67.253%0.52834%0.337SS..THydrogen-bonded Turntrans-90.910.5178.1-63.898.3000114.1N392 L393 K394 K398N392-H396 PolarHBondContact O-N 3.07Å; N392-H396 PolarHBondContact O-ND1 3.36Å; N392-H396 PolarHBondContact OD1-CE1 2.82Å; N392-H396 VanDerWaalsContact OD1-CE1 3.26Å; N392-H396 PolarHBondContact OD1-ND1 3.23Å; L393-H396 PolarHBondContact O-N 2.86Å; K394-H396 VanDerWaalsContact C-N 3.26Å; K394-H396 PolarHBondContact O-N 3.35Å; H396-K398 PolarHBondContact O-N 2.98Å
397G90.5Very high93.4Very high38 Ų3869.4 Ų69.439%0.39235%0.347SS..THydrogen-bonded Turntrans6521.8176.400000114.9R265 L393 K394 K395R265-G397 PolarHBondContact NH1-O 3.41Å; L393-G397 PolarHBondContact O-N 3.43Å; K394-G397 PolarHBondContact O-N 3.36Å; K394-G397 VanDerWaalsContact O-N 3.07Å; K395-G397 VanDerWaalsContact C-N 3.35Å
398K93.3Very high93.3Very high39 Ų3966 Ų6617%0.1734%0.34CS..  trans-97.2-16.3178.6-64.1-168.9-176.7171.90113.7V219 S220 P302 P303 L393 H396 V400V219-K398 CarbonylContact C-O 3.59Å; V219-K398 WeakPolarHBondContact CA-O 3.24Å; V219-K398 HydrophobicContact CG1-CB 4.43Å; S220-K398 PolarHBondContact N-O 3.15Å; S220-K398 WeakPolarHBondContact OG-CA 3.44Å; S220-K398 PolarHBondContact OG-O 2.99Å; P302-K398 PolarHBondContact O-NZ 3.3Å; P303-K398 HydrophobicContact CB-CD 4.5Å; P303-K398 PolarHBondContact O-NZ 3.21Å; L393-K398 HydrophobicContact CD2-CB 4.18Å; L393-K398 PolarHBondContact O-N 3.42Å; H396-K398 PolarHBondContact O-N 2.98Å; K398-V400 PolarHBondContact O-N 3.41Å
399L94.4Very high93.1Very high29 Ų2963 Ų6315%0.15233%0.327CS..EExtended strand (participates in β ladder)trans-82.5113.5176.9-167.767.2000110.7V217 V219 L393 K394 Q402V217-L399 HydrophobicContact CB-CD1 3.93Å; V217-L399 HydrophobicContact CG1-CD1 4.07Å; V219-L399 HydrophobicContact CG2-CD1 4.39Å; L393-L399 HydrophobicContact CB-CB 4.04Å; L393-L399 PolarHBondContact O-N 3.19Å; K394-L399 HydrophobicContact CB-CB 4.23Å; K394-L399 HydrophobicContact CB-CD2 3.92Å; K394-L399 HydrophobicContact CG-CD2 4.46Å; L399-Q402 HydrophobicContact CD2-CB 4.08Å
400V93Very high92.9Very high14 Ų1463.4 Ų63.49%0.08533%0.329CS..EExtended strand (participates in β ladder)trans-89.3-43.2-176.3179.30000111.9I218 I232 K263 F267 L277 K398I218-V400 HydrophobicContact CB-CB 4.32Å; I218-V400 HydrophobicContact CG2-CB 4.09Å; I218-V400 HydrophobicContact CG2-CG1 4.42Å; I218-V400 WeakPolarHBondContact O-CB 3.34Å; I218-V400 PolarHBondContact O-N 3.2Å; I232-V400 HydrophobicContact CG2-CG2 3.96Å; K263-V400 PolarHBondContact NZ-O 3.09Å; F267-V400 HydrophobicContact CE1-CG2 4.11Å; F267-V400 HydrophobicContact CE2-CG1 4.13Å; F267-V400 HydrophobicContact CZ-CG1 4.13Å; F267-V400 HydrophobicContact CZ-CG2 4.07Å; L277-V400 HydrophobicContact CD2-CG1 4.44Å; K398-V400 PolarHBondContact O-N 3.41Å
401H92.5Very high92.6Very high84 Ų8464.3 Ų64.339%0.38933%0.333SS..EExtended strand (participates in β ladder)trans-147145.2179.2-17176.1000109.8V217 I218 L277V217-H401 WeakPolarHBondContact CA-O 3.27Å; I218-H401 HydrophobicContact CB-CB 4Å; I218-H401 HydrophobicContact CD1-CB 4.04Å; I218-H401 HydrophobicContact CG1-CB 4.11Å; I218-H401 PolarHBondContact N-O 2.74Å; I218-H401 PolarHBondContact O-N 3.48Å; L277-H401 HydrophobicContact CD1-CB 3.95Å
402Q93.2Very high91.8Very high106 Ų10659.4 Ų59.450%0.49531%0.31SS..EExtended strand (participates in β ladder)trans-139.5122.6177.9179.6176.714.800108.9V217 L399V217-Q402 HydrophobicContact CG1-CB 4.35Å; V217-Q402 HydrophobicContact CG1-CG 4.07Å; L399-Q402 HydrophobicContact CD2-CB 4.08Å
403S93.1Very high90.4Very high46 Ų4661.1 Ų61.132%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-141.4-173.417562.40000109.8S216S216-S403 PolarHBondContact N-O 3.08Å; S216-S403 PolarHBondContact O-N 3.43Å; S216-S403 PolarHBondContact O-OG 2.89Å; S216-S403 PolarHBondContact OG-OG 2.99Å
404T92.8Very high88.9Confident97 Ų9762.7 Ų62.760%0.59532%0.32SS*.EExtended strand (participates in β ladder)trans-125150.2170.744.70000109.3D214D214-T404 WeakPolarHBondContact O-CA 3.33Å
405I92.2Very high87.8Confident65 Ų6557.6 Ų57.633%0.33330%0.303SS..EExtended strand (participates in β ladder)trans-132.1138.5177.2-169168.7000109.8Q213 D214 T236Q213-I405 WeakPolarHBondContact CA-O 3.42Å; D214-I405 PolarHBondContact N-O 3.48Å; D214-I405 PolarHBondContact O-N 3.25Å; T236-I405 HydrophobicContact CG2-CG2 3.83Å
406T92.6Very high87.1Confident86 Ų8653.4 Ų53.453%0.52829%0.289SS..EExtended strand (participates in β ladder)trans-92.6124.3170.4-53.70000109D211 V212D211-T406 HydrophobicContact CB-CG2 4.27Å; V212-T406 VanDerWaalsContact O-CA 3.29Å; V212-T406 WeakPolarHBondContact O-CA 3.41Å
407H90.9Very high86.7Confident53 Ų5349.7 Ų49.725%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-149.2164.4176.970.7167.9000111.7D211 V212 D214 Y409D211-H407 WeakPolarHBondContact CA-O 3.46Å; V212-H407 PolarHBondContact N-O 3.32Å; V212-H407 PolarHBondContact O-N 3.17Å; D214-H407 IonicContact OD2-CD2 3.86Å; D214-H407 IonicContact OD2-CE1 3.91Å; D214-H407 IonicContact OD2-NE2 3.59Å; D214-H407 PolarHBondContact OD2-NE2 2.76Å; H407-Y409 AromaticContact CE1-CD2 3.96Å; H407-Y409 AromaticContact NE2-CD2 3.69Å
408S91.1Very high86.7Confident64 Ų6449.4 Ų49.445%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-79.4123.9176.1-159.10000110.3
409Y91.7Very high86.7Confident26 Ų2647.6 Ų47.610%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-126.6143.7-176.4-162.2-94.1000111K210 V212 H407 F411 P418 L419K210-Y409 PolarHBondContact N-O 3.36Å; K210-Y409 PolarHBondContact O-N 3.46Å; V212-Y409 VanDerWaalsContact CG2-CB 3.42Å; V212-Y409 HydrophobicContact CG2-CG 4.13Å; H407-Y409 AromaticContact CE1-CD2 3.96Å; H407-Y409 AromaticContact NE2-CD2 3.69Å; Y409-F411 HydrophobicContact CD1-CD2 4.39Å; Y409-F411 HydrophobicContact CD1-CE2 4.15Å; Y409-F411 WeakPolarHBondContact O-CD2 3.42Å; Y409-P418 HydrophobicContact CD1-CB 4.26Å; Y409-P418 HydrophobicContact CE1-CB 3.95Å; Y409-L419 WeakPolarHBondContact CE1-O 3.29Å; Y409-L419 PolarHBondContact OH-O 2.9Å
410P91.1Very high86.6Confident8 Ų846.2 Ų46.25%0.05225%0.251CS..EExtended strand (participates in β ladder)trans-75.9128.5-179.530-35000111.8Y209 L419 Y421Y209-P410 HydrophobicContact CD1-CB 4.5Å; Y209-P410 HydrophobicContact CD2-CB 4.49Å; Y209-P410 HydrophobicContact CE1-CB 4.02Å; Y209-P410 HydrophobicContact CE1-CG 4.36Å; Y209-P410 HydrophobicContact CE2-CB 3.99Å; P410-L419 HydrophobicContact CB-CD1 4.23Å; P410-L419 HydrophobicContact CG-CB 4.48Å; P410-L419 PolarHBondContact O-N 3.14Å; P410-Y421 HydrophobicContact CG-CE2 4.43Å
411F87.9Confident86.6Confident24 Ų2449.4 Ų49.411%0.10526%0.262CS..BIsolated β-bridgetrans-109.1152.4173-81.7-122.9000110.3N208 K210 V212 Y409 W413 D416 P418N208-F411 HydrophobicContact CB-CB 4.48Å; N208-F411 WeakPolarHBondContact O-CA 3.49Å; N208-F411 WeakPolarHBondContact O-CB 3.26Å; N208-F411 PolarHBondContact O-N 3.43Å; K210-F411 HydrophobicContact CB-CD2 4.1Å; K210-F411 HydrophobicContact CB-CE2 4.28Å; K210-F411 HydrophobicContact CD-CD1 4.12Å; K210-F411 HydrophobicContact CD-CD2 4.42Å; K210-F411 HydrophobicContact CD-CG 4.09Å; K210-F411 HydrophobicContact CG-CD2 4.38Å; K210-F411 HydrophobicContact CG-CG 4.39Å; V212-F411 HydrophobicContact CG1-CE2 3.38Å; V212-F411 HydrophobicContact CG1-CZ 3.49Å; V212-F411 VanDerWaalsContact CG1-CZ 3.49Å; Y409-F411 HydrophobicContact CD1-CD2 4.39Å; Y409-F411 HydrophobicContact CD1-CE2 4.15Å; Y409-F411 WeakPolarHBondContact O-CD2 3.42Å; F411-W413 PolarHBondContact O-N 3.15Å; F411-D416 VanDerWaalsContact CD1-O 3.24Å; F411-D416 WeakPolarHBondContact CD1-O 3.49Å; F411-P418 HydrophobicContact CE1-CB 4.49Å; F411-P418 HydrophobicContact CE1-CG 3.86Å; F411-P418 HydrophobicContact CE2-CB 4.36Å; F411-P418 HydrophobicContact CE2-CG 4.38Å; F411-P418 HydrophobicContact CZ-CB 4.21Å; F411-P418 HydrophobicContact CZ-CG 3.75Å
412C77.7Confident86.5Confident0 Ų046.2 Ų46.20%025%0.247CC..  trans-61.1122.2169-177.50000108S193 N208 R414 S415 D416 T417 L419S193-C412 PolarHBondContact OG-SG 3.17Å; N208-C412 PolarHBondContact ND2-O 3.13Å; N208-C412 VanDerWaalsContact ND2-O 3.09Å; C412-R414 PolarHBondContact O-N 3.31Å; C412-S415 WeakPolarHBondContact CB-OG 3.36Å; C412-S415 PolarHBondContact SG-N 2.86Å; C412-S415 PolarHBondContact SG-OG 2.89Å; C412-D416 WeakPolarHBondContact O-CA 3.33Å; C412-D416 PolarHBondContact O-N 3.09Å; C412-T417 WeakPolarHBondContact CB-O 3.35Å; C412-T417 PolarHBondContact N-O 3.33Å; C412-L419 HydrophobicContact CB-CD2 3.7Å
413W67.1Low86.3Confident64 Ų6441.2 Ų41.224%0.24222%0.224CC..THydrogen-bonded Turntrans-66.9-16.2178.972.9-90.3000113.2Y105 Q207 N208 F411Y105-W413 HydrophobicContact CD2-CH2 4.03Å; Y105-W413 AromaticContact CD2-CZ2 3.93Å; Y105-W413 HydrophobicContact CD2-CZ2 3.93Å; Y105-W413 AromaticContact CE2-CH2 3.42Å; Y105-W413 HydrophobicContact CE2-CH2 3.42Å; Y105-W413 VanDerWaalsContact CE2-CH2 3.42Å; Y105-W413 AromaticContact CE2-CZ2 3.54Å; Y105-W413 HydrophobicContact CE2-CZ2 3.54Å; Y105-W413 HydrophobicContact CE2-CZ3 4.15Å; Q207-W413 HydrophobicContact CB-CB 3.92Å; Q207-W413 HydrophobicContact CB-CG 4.37Å; N208-W413 HydrophobicContact CB-CB 3.89Å; F411-W413 PolarHBondContact O-N 3.15Å
414R62.3Low86Confident34 Ų3439.8 Ų39.813%0.12821%0.213CC..THydrogen-bonded Turntrans-94-49.5179-56.8-173.3-177.7122.74.1113.2D108 T114 E204 C412D108-R414 IonicContact OD2-NH2 3.26Å; T114-R414 WeakPolarHBondContact O-CD 3.29Å; E204-R414 IonicContact OE1-CZ 3.99Å; E204-R414 IonicContact OE1-NH1 3.16Å; E204-R414 IonicContact OE1-NH2 3.95Å; E204-R414 PolarHBondContact OE1-NH2 2.89Å; C412-R414 PolarHBondContact O-N 3.31Å
415S72.2Confident85.6Confident41 Ų4137.3 Ų37.329%0.28720%0.198SC..THydrogen-bonded Turntrans-101-6.1-171.758.20000114.2C412 T417C412-S415 WeakPolarHBondContact CB-OG 3.36Å; C412-S415 PolarHBondContact SG-N 2.86Å; C412-S415 PolarHBondContact SG-OG 2.89Å; S415-T417 PolarHBondContact O-N 3.08Å; S415-T417 VanDerWaalsContact O-N 3.09Å; S415-T417 PolarHBondContact OG-OG1 2.77Å
416D78.2Confident85.4Confident90 Ų9034.3 Ų34.348%0.48118%0.183SC..  trans53.428.3-173.6-82.3-43.3000113.7N208 K210 F411 C412N208-D416 PolarHBondContact ND2-OD1 2.91Å; K210-D416 WeakPolarHBondContact CE-OD1 3.47Å; K210-D416 VanDerWaalsContact NZ-CG 3.27Å; K210-D416 IonicContact NZ-OD1 3.79Å; K210-D416 PolarHBondContact NZ-OD1 3.4Å; K210-D416 IonicContact NZ-OD2 3.82Å; F411-D416 VanDerWaalsContact CD1-O 3.24Å; F411-D416 WeakPolarHBondContact CD1-O 3.49Å; C412-D416 WeakPolarHBondContact O-CA 3.33Å; C412-D416 PolarHBondContact O-N 3.09Å
417T83Confident85.4Confident36 Ų3630.7 Ų30.722%0.22116%0.159CC..PPolyproline II helixtrans-98.7146.1172.856.80000111.1A195 C412 S415 L419A195-T417 HydrophobicContact CB-CG2 3.79Å; A195-T417 WeakPolarHBondContact CB-OG1 3.31Å; C412-T417 WeakPolarHBondContact CB-O 3.35Å; C412-T417 PolarHBondContact N-O 3.33Å; S415-T417 PolarHBondContact O-N 3.08Å; S415-T417 VanDerWaalsContact O-N 3.09Å; S415-T417 PolarHBondContact OG-OG1 2.77Å; T417-L419 PolarHBondContact O-N 2.9Å
418P91Very high85.3Confident32 Ų3229 Ų2921%0.20815%0.152CC..BIsolated β-bridgetrans-57.2134.3176.1-18.127.6000111.1Y409 F411Y409-P418 HydrophobicContact CD1-CB 4.26Å; Y409-P418 HydrophobicContact CE1-CB 3.95Å; F411-P418 HydrophobicContact CE1-CB 4.49Å; F411-P418 HydrophobicContact CE1-CG 3.86Å; F411-P418 HydrophobicContact CE2-CB 4.36Å; F411-P418 HydrophobicContact CE2-CG 4.38Å; F411-P418 HydrophobicContact CZ-CB 4.21Å; F411-P418 HydrophobicContact CZ-CG 3.75Å
419L91.9Very high85.3Confident0 Ų026 Ų260%013%0.13CC..PPolyproline II helixtrans-77.6150.8172.5-63.2-178.4000110.5P191 L200 A205 Y409 P410 C412 T417P191-L419 HydrophobicContact CB-CD1 4.15Å; L200-L419 HydrophobicContact CD1-CD1 3.77Å; L200-L419 HydrophobicContact CD1-CD2 3.5Å; L200-L419 HydrophobicContact CD1-CG 4.31Å; L200-L419 HydrophobicContact CG-CD2 4.45Å; A205-L419 HydrophobicContact CB-CD1 3.73Å; Y409-L419 WeakPolarHBondContact CE1-O 3.29Å; Y409-L419 PolarHBondContact OH-O 2.9Å; P410-L419 HydrophobicContact CB-CD1 4.23Å; P410-L419 HydrophobicContact CG-CB 4.48Å; P410-L419 PolarHBondContact O-N 3.14Å; C412-L419 HydrophobicContact CB-CD2 3.7Å; T417-L419 PolarHBondContact O-N 2.9Å
420I93.6Very high85.3Confident1 Ų128.1 Ų28.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-113.7150.7165.365.4176.2000108.8P191 F192 T194 W239 V364 V382 K422P191-I420 CarbonylContact C-O 3.53Å; F192-I420 WeakPolarHBondContact CA-O 3.39Å; F192-I420 HydrophobicContact CB-CG1 4.11Å; F192-I420 WeakPolarHBondContact CB-O 3.17Å; F192-I420 PolarHBondContact N-O 3.45Å; F192-I420 PolarHBondContact O-N 3.24Å; F192-I420 VanDerWaalsContact O-N 3.09Å; T194-I420 HydrophobicContact CG2-CD1 3.6Å; T194-I420 HydrophobicContact CG2-CG1 3.88Å; T194-I420 HydrophobicContact CG2-CG2 4.43Å; W239-I420 HydrophobicContact CH2-CB 4.27Å; W239-I420 HydrophobicContact CH2-CG2 4.43Å; W239-I420 HydrophobicContact CZ2-CB 4.15Å; W239-I420 HydrophobicContact CZ2-CG2 3.99Å; V364-I420 HydrophobicContact CG1-CD1 4.4Å; V382-I420 HydrophobicContact CG2-CG2 4.21Å; I420-K422 HydrophobicContact CG1-CB 4.49Å
421Y92.8Very high85.2Confident80 Ų8027.7 Ų27.731%0.31414%0.135SC..EExtended strand (participates in β ladder)trans-86130.9164.4-77-94.9000108.2V189 M190 P191 F340 P410V189-Y421 HydrophobicContact CG1-CD1 4.25Å; M190-Y421 WeakPolarHBondContact O-CA 3.4Å; P191-Y421 HydrophobicContact CB-CE1 4.38Å; P191-Y421 HydrophobicContact CG-CD1 4.37Å; P191-Y421 HydrophobicContact CG-CE1 3.7Å; F340-Y421 WeakPolarHBondContact CA-O 3.49Å; F340-Y421 WeakPolarHBondContact CD1-O 3.42Å; F340-Y421 VanDerWaalsContact O-CB 3.26Å; F340-Y421 WeakPolarHBondContact O-CB 3.21Å; P410-Y421 HydrophobicContact CG-CE2 4.43Å
422K91Very high85.3Confident18 Ų1830.3 Ų30.38%0.07815%0.148CC..EExtended strand (participates in β ladder)trans-142.7139.3-176.5-175.7178.9175.3-1770110.1V189 M190 F192 Y339 F340 C362 V364 N365 I420V189-K422 WeakPolarHBondContact CA-O 3.17Å; M190-K422 PolarHBondContact N-O 3.37Å; M190-K422 PolarHBondContact O-N 2.93Å; F192-K422 HydrophobicContact CB-CB 4.02Å; F192-K422 HydrophobicContact CD2-CD 4.38Å; F192-K422 HydrophobicContact CG-CB 4.36Å; F192-K422 HydrophobicContact CG-CD 4.36Å; Y339-K422 CarbonylContact O-C 3.54Å; Y339-K422 WeakPolarHBondContact O-CA 3.47Å; F340-K422 HydrophobicContact CE1-CG 4.43Å; C362-K422 VanDerWaalsContact SG-CE 3.58Å; V364-K422 WeakPolarHBondContact O-CE 3.49Å; V364-K422 PolarHBondContact O-NZ 2.77Å; N365-K422 PolarHBondContact O-NZ 3.5Å; I420-K422 HydrophobicContact CG1-CB 4.49Å
423A89Confident85.9Confident1 Ų136.3 Ų36.31%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-70.9128.4170.400000110.4L187 K188 V189 Y339 M360L187-A423 HydrophobicContact CB-CB 4.45Å; K188-A423 CarbonylContact O-C 3.59Å; K188-A423 WeakPolarHBondContact O-CA 3.45Å; V189-A423 HydrophobicContact CG2-CB 4.26Å; Y339-A423 HydrophobicContact CD1-CB 3.75Å; Y339-A423 HydrophobicContact CG-CB 4.29Å; Y339-A423 PolarHBondContact O-N 3.35Å; M360-A423 HydrophobicContact SD-CB 4.26Å
424I86.2Confident87.2Confident16 Ų1633.3 Ų33.38%0.08217%0.165CC..EExtended strand (participates in β ladder)trans-125.8138.8-179.4-51.4171.1000107.7K188 M190 F192 P199 T426K188-I424 PolarHBondContact N-O 2.98Å; K188-I424 PolarHBondContact O-N 3.46Å; M190-I424 HydrophobicContact CB-CD1 4.13Å; F192-I424 HydrophobicContact CD2-CD1 3.6Å; F192-I424 HydrophobicContact CD2-CG1 4.23Å; F192-I424 HydrophobicContact CE2-CD1 4.11Å; P199-I424 HydrophobicContact CB-CD1 3.4Å; P199-I424 VanDerWaalsContact CB-CD1 3.4Å; P199-I424 HydrophobicContact CG-CD1 3.66Å; I424-T426 PolarHBondContact O-N 3.42Å; I424-T426 PolarHBondContact O-OG1 3.34Å
425P84.8Confident88.8Confident44 Ų4433.1 Ų33.129%0.28617%0.166SC..EExtended strand (participates in β ladder)trans-54.3132.4168.8-23.634000110.7G186 L187G186-P425 WeakPolarHBondContact O-CA 3.5Å; L187-P425 HydrophobicContact CD2-CG 4.38Å
426T88Confident89.9Confident3 Ų337.7 Ų37.72%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-147.1142.5-177.2-66.70000109.1G186 I424 F428 A468 S470G186-T426 PolarHBondContact N-O 2.92Å; G186-T426 PolarHBondContact O-N 3.44Å; I424-T426 PolarHBondContact O-N 3.42Å; I424-T426 PolarHBondContact O-OG1 3.34Å; T426-F428 HydrophobicContact CG2-CD2 4.15Å; T426-F428 HydrophobicContact CG2-CE1 4.49Å; T426-F428 HydrophobicContact CG2-CE2 3.79Å; T426-F428 HydrophobicContact CG2-CZ 4Å; T426-F428 VanDerWaalsContact O-CD2 3.23Å; T426-F428 WeakPolarHBondContact O-CD2 3.46Å; T426-F428 WeakPolarHBondContact O-CE2 3.37Å; T426-A468 HydrophobicContact CG2-CB 3.65Å; T426-S470 WeakPolarHBondContact CA-OG 3.48Å; T426-S470 WeakPolarHBondContact CG2-OG 3.43Å
427W91Very high90.8Very high10 Ų1038 Ų384%0.03818%0.181CC..EExtended strand (participates in β ladder)trans-86.2131.4171.4-65.992.2000109.7V183 R185 V469 S470 I479 I481 V490 V532V183-W427 HydrophobicContact CG1-CE3 3.78Å; V183-W427 HydrophobicContact CG1-CZ3 4.25Å; R185-W427 HydrophobicContact CB-CD2 4.21Å; R185-W427 HydrophobicContact CB-CE3 3.95Å; R185-W427 HydrophobicContact CB-CH2 4.03Å; R185-W427 HydrophobicContact CB-CZ2 4.28Å; R185-W427 HydrophobicContact CB-CZ3 3.86Å; R185-W427 HydrophobicContact CG-CD2 4.28Å; R185-W427 HydrophobicContact CG-CZ2 4.28Å; W427-V469 HydrophobicContact CB-CG2 4.23Å; W427-V469 WeakPolarHBondContact O-CG2 3.46Å; W427-V469 PolarHBondContact O-N 3.46Å; W427-S470 PolarHBondContact N-OG 2.64Å; W427-I479 HydrophobicContact CB-CD1 4.41Å; W427-I479 HydrophobicContact CG-CD1 4.43Å; W427-I481 HydrophobicContact CD2-CD1 3.84Å; W427-I481 HydrophobicContact CE3-CD1 3.73Å; W427-I481 HydrophobicContact CH2-CD1 3.41Å; W427-I481 VanDerWaalsContact CH2-CD1 3.41Å; W427-I481 HydrophobicContact CH2-CG2 4.22Å; W427-I481 HydrophobicContact CZ2-CD1 3.53Å; W427-I481 HydrophobicContact CZ2-CG2 4.05Å; W427-I481 HydrophobicContact CZ3-CD1 3.51Å; W427-V490 HydrophobicContact CH2-CG1 4.38Å; W427-V532 HydrophobicContact CZ2-CG1 4.33Å
428F90.3Very high91.5Very high18 Ų1836.2 Ų36.28%0.07917%0.171CC..EExtended strand (participates in β ladder)trans-120.4148.4-177.3-69.7-94.7000111.1V183 Y184 K188 T426 D466 W467 A468V183-F428 WeakPolarHBondContact CA-O 3.38Å; Y184-F428 HydrophobicContact CD1-CB 3.93Å; Y184-F428 HydrophobicContact CE1-CB 3.41Å; Y184-F428 VanDerWaalsContact CE1-CB 3.41Å; Y184-F428 HydrophobicContact CE1-CG 4.3Å; Y184-F428 HydrophobicContact CE2-CB 4.08Å; Y184-F428 HydrophobicContact CE2-CD2 4.09Å; Y184-F428 HydrophobicContact CE2-CG 4.29Å; Y184-F428 HydrophobicContact CG-CB 4.49Å; Y184-F428 VanDerWaalsContact CZ-CB 3.47Å; Y184-F428 AromaticContact CZ-CG 3.87Å; Y184-F428 PolarHBondContact N-O 2.96Å; Y184-F428 PolarHBondContact O-N 3.18Å; K188-F428 HydrophobicContact CB-CZ 3.8Å; K188-F428 HydrophobicContact CD-CZ 4.42Å; K188-F428 HydrophobicContact CG-CZ 4.3Å; T426-F428 HydrophobicContact CG2-CD2 4.15Å; T426-F428 HydrophobicContact CG2-CE1 4.49Å; T426-F428 HydrophobicContact CG2-CE2 3.79Å; T426-F428 HydrophobicContact CG2-CZ 4Å; T426-F428 VanDerWaalsContact O-CD2 3.23Å; T426-F428 WeakPolarHBondContact O-CD2 3.46Å; T426-F428 WeakPolarHBondContact O-CE2 3.37Å; F428-D466 HydrophobicContact CD1-CB 4.21Å; F428-W467 CarbonylContact C-O 3.33Å; F428-W467 VanDerWaalsContact CA-O 3.25Å; F428-W467 WeakPolarHBondContact CA-O 3.24Å; F428-A468 HydrophobicContact CD1-CB 4.01Å; F428-A468 HydrophobicContact CE1-CB 3.76Å; F428-A468 HydrophobicContact CZ-CB 4.4Å
429I90.5Very high91.7Very high0 Ų036.5 Ų36.50%017%0.17CC..EExtended strand (participates in β ladder)trans-101.3129.7163.6-62.5172.9000108.2L177 L182 V431 D466 W467 V469 F540L177-I429 HydrophobicContact CD1-CD1 3.74Å; L177-I429 HydrophobicContact CD1-CG1 4.37Å; L182-I429 CarbonylContact O-C 3.55Å; L182-I429 WeakPolarHBondContact O-CA 3.46Å; I429-V431 HydrophobicContact CG2-CG2 4.35Å; I429-V431 PolarHBondContact O-N 3.24Å; I429-V431 VanDerWaalsContact O-N 3.12Å; I429-D466 CarbonylContact O-C 3.53Å; I429-D466 WeakPolarHBondContact O-CA 3.49Å; I429-D466 WeakPolarHBondContact O-CB 3.22Å; I429-W467 HydrophobicContact CB-CB 4.45Å; I429-W467 HydrophobicContact CD1-CE3 3.94Å; I429-W467 HydrophobicContact CD1-CZ3 4.24Å; I429-W467 PolarHBondContact N-O 3.37Å; I429-W467 PolarHBondContact O-N 2.9Å; I429-V469 HydrophobicContact CD1-CB 4.43Å; I429-V469 HydrophobicContact CD1-CG1 3.4Å; I429-V469 HydrophobicContact CD1-CG2 4.34Å; I429-V469 HydrophobicContact CG1-CG1 3.81Å; I429-V469 HydrophobicContact CG1-CG2 4.1Å; I429-F540 HydrophobicContact CD1-CD2 3.72Å; I429-F540 HydrophobicContact CD1-CE2 3.35Å; I429-F540 HydrophobicContact CD1-CZ 4.46Å
430R90.8Very high92Very high70 Ų7038.5 Ų38.526%0.26419%0.187SC..  trans-68.6103.9175.8-65.8-179-167.8-80.40109.9G181 L182 Y184 Q433 M434 D466G181-R430 PolarHBondContact O-NE 2.94Å; L182-R430 HydrophobicContact CD2-CB 4.48Å; L182-R430 WeakPolarHBondContact O-CG 3.43Å; L182-R430 PolarHBondContact O-N 3.44Å; Y184-R430 HydrophobicContact CD1-CG 3.61Å; Y184-R430 HydrophobicContact CE1-CG 3.71Å; R430-Q433 HydrophobicContact CB-CG 4.12Å; R430-M434 WeakPolarHBondContact O-CE 3.46Å; R430-D466 VanDerWaalsContact CA-OD1 3.3Å; R430-D466 WeakPolarHBondContact CA-OD1 3.27Å
431V90.1Very high92.1Very high0 Ų038.6 Ų38.60%019%0.188CC..  trans-104.8-32.4178.2178.90000110.7I429 Q433 M434 I435 L438 A464 D466 W467 Y581 V585I429-V431 HydrophobicContact CG2-CG2 4.35Å; I429-V431 PolarHBondContact O-N 3.24Å; I429-V431 VanDerWaalsContact O-N 3.12Å; V431-Q433 PolarHBondContact O-N 3.41Å; V431-M434 HydrophobicContact CG1-CG 4.38Å; V431-M434 WeakPolarHBondContact O-CG 3.45Å; V431-M434 PolarHBondContact O-N 3.2Å; V431-I435 PolarHBondContact O-N 2.87Å; V431-L438 HydrophobicContact CG1-CD1 3.76Å; V431-A464 HydrophobicContact CG1-CB 4.15Å; V431-D466 PolarHBondContact N-OD1 2.8Å; V431-W467 HydrophobicContact CG2-CB 3.93Å; V431-Y581 HydrophobicContact CG1-CE2 4.45Å; V431-V585 HydrophobicContact CG1-CG2 4.33Å; V431-V585 HydrophobicContact CG2-CG1 3.99Å
432E88.9Confident92.3Very high78 Ų7835.1 Ų35.136%0.36417%0.174SC..G310 helixtrans-57.4-39-175.9-68.5-175169.700112.1M434 I435 R465 D466E432-M434 PolarHBondContact O-N 2.79Å; E432-I435 WeakPolarHBondContact O-CD1 3.32Å; E432-I435 WeakPolarHBondContact O-CG1 3.38Å; E432-R465 WeakPolarHBondContact OE1-CD 3.29Å; E432-R465 IonicContact OE1-CZ 3.22Å; E432-R465 IonicContact OE1-NE 3.98Å; E432-R465 IonicContact OE1-NH1 2.84Å; E432-R465 PolarHBondContact OE1-NH1 2.69Å; E432-D466 PolarHBondContact N-OD1 2.91Å; E432-D466 VanDerWaalsContact N-OD1 3.07Å
433Q91.4Very high92.5Very high126 Ų12641 Ų4159%0.58920%0.202SC*.G310 helixtrans-74.3-8.3179.970.3-17811.500114.8R430 V431R430-Q433 HydrophobicContact CB-CG 4.12Å; V431-Q433 PolarHBondContact O-N 3.41Å
434M93.9Very high92.8Very high2 Ų247.3 Ų47.31%0.0123%0.229CC..G310 helixtrans-112.96.4179.962.5174.67100113.3L182 R430 V431 E432 D436 R437 L438 V585 A589L182-M434 HydrophobicContact CD1-CE 4.03Å; L182-M434 HydrophobicContact CD2-CE 4.21Å; R430-M434 WeakPolarHBondContact O-CE 3.46Å; V431-M434 HydrophobicContact CG1-CG 4.38Å; V431-M434 WeakPolarHBondContact O-CG 3.45Å; V431-M434 PolarHBondContact O-N 3.2Å; E432-M434 PolarHBondContact O-N 2.79Å; M434-D436 VanDerWaalsContact C-N 3.3Å; M434-D436 PolarHBondContact O-N 3.15Å; M434-R437 WeakPolarHBondContact O-CB 3.39Å; M434-R437 PolarHBondContact O-N 2.86Å; M434-L438 HydrophobicContact CG-CD1 3.94Å; M434-L438 HydrophobicContact CG-CG 4.12Å; M434-L438 WeakPolarHBondContact O-CG 3.14Å; M434-L438 PolarHBondContact O-N 3.04Å; M434-L438 HydrophobicContact SD-CD1 4.4Å; M434-L438 HydrophobicContact SD-CD2 4.34Å; M434-L438 HydrophobicContact SD-CG 4.46Å; M434-V585 HydrophobicContact SD-CG1 4.3Å; M434-A589 HydrophobicContact CE-CB 3.78Å; M434-A589 HydrophobicContact SD-CB 4.29Å
435I95.1Very high93.3Very high30 Ų3046.7 Ų46.715%0.15423%0.227CC..Hα-helixtrans-51-47.7-178.2-70.1171.4000111.9V431 E432 R437 L438 L439V431-I435 PolarHBondContact O-N 2.87Å; E432-I435 WeakPolarHBondContact O-CD1 3.32Å; E432-I435 WeakPolarHBondContact O-CG1 3.38Å; I435-R437 VanDerWaalsContact C-N 3.31Å; I435-R437 PolarHBondContact O-N 2.96Å; I435-L438 WeakPolarHBondContact O-CB 3.43Å; I435-L438 PolarHBondContact O-N 2.86Å; I435-L438 VanDerWaalsContact O-N 3.17Å; I435-L439 HydrophobicContact CG2-CD1 3.89Å; I435-L439 HydrophobicContact CG2-CG 4.42Å; I435-L439 WeakPolarHBondContact O-CG 3.18Å; I435-L439 PolarHBondContact O-N 3.48Å
436D96.7Very high93.9Very high137 Ų13748 Ų4873%0.73323%0.231SC*.Hα-helixtrans-61-40.4-180-64.1-31.6000112.2M434 L439 A440M434-D436 VanDerWaalsContact C-N 3.3Å; M434-D436 PolarHBondContact O-N 3.15Å; D436-L439 PolarHBondContact O-N 3.39Å; D436-A440 WeakPolarHBondContact O-CB 3.38Å; D436-A440 PolarHBondContact O-N 3.41Å
437R97.5Very high94.3Very high95 Ų9548 Ų4836%0.35823%0.23SC..Hα-helixtrans-69-37.8177.1-66.7170.458.7-157.3-7.6111.6M434 I435 A440 N441 T588 D592M434-R437 WeakPolarHBondContact O-CB 3.39Å; M434-R437 PolarHBondContact O-N 2.86Å; I435-R437 VanDerWaalsContact C-N 3.31Å; I435-R437 PolarHBondContact O-N 2.96Å; R437-A440 PolarHBondContact O-N 2.96Å; R437-N441 WeakPolarHBondContact O-CB 3.48Å; R437-N441 PolarHBondContact O-N 2.73Å; R437-N441 PolarHBondContact O-ND2 3.35Å; R437-T588 HydrophobicContact CB-CG2 3.73Å; R437-T588 PolarHBondContact NH2-O 3.4Å; R437-D592 IonicContact CZ-OD1 2.63Å; R437-D592 IonicContact CZ-OD2 3.26Å; R437-D592 IonicContact NE-OD1 3.32Å; R437-D592 PolarHBondContact NE-OD1 3.49Å; R437-D592 IonicContact NE-OD2 3.83Å; R437-D592 VanDerWaalsContact NH2-CB 3.33Å; R437-D592 IonicContact NH2-OD1 3.72Å; R437-D592 PolarHBondContact NH2-OD1 3.31Å; R437-D592 IonicContact NH2-OD2 2.92Å
438L96.3Very high94.5Very high0 Ų047.9 Ų47.90%023%0.231CC..Hα-helixtrans-63.1-45.4175-65.9171.5000111.1V431 M434 I435 N441 N442 L461 L584 V585 T588V431-L438 HydrophobicContact CG1-CD1 3.76Å; M434-L438 HydrophobicContact CG-CD1 3.94Å; M434-L438 HydrophobicContact CG-CG 4.12Å; M434-L438 WeakPolarHBondContact O-CG 3.14Å; M434-L438 PolarHBondContact O-N 3.04Å; M434-L438 HydrophobicContact SD-CD1 4.4Å; M434-L438 HydrophobicContact SD-CD2 4.34Å; M434-L438 HydrophobicContact SD-CG 4.46Å; I435-L438 WeakPolarHBondContact O-CB 3.43Å; I435-L438 PolarHBondContact O-N 2.86Å; I435-L438 VanDerWaalsContact O-N 3.17Å; L438-N441 PolarHBondContact O-N 3.44Å; L438-N442 VanDerWaalsContact O-CB 3.29Å; L438-N442 WeakPolarHBondContact O-CB 3.35Å; L438-N442 PolarHBondContact O-N 3.18Å; L438-L461 HydrophobicContact CB-CD1 4.47Å; L438-L461 HydrophobicContact CD1-CD2 4.48Å; L438-L584 HydrophobicContact CB-CD2 4.41Å; L438-L584 HydrophobicContact CD2-CD2 4.4Å; L438-L584 HydrophobicContact CD2-CG 3.95Å; L438-V585 HydrophobicContact CD1-CG2 4.18Å; L438-V585 HydrophobicContact CD2-CG2 4.09Å; L438-T588 HydrophobicContact CD2-CG2 3.98Å; L438-T588 HydrophobicContact CG-CG2 4.49Å
439L96.6Very high94.6Very high37 Ų3747.6 Ų47.619%0.19423%0.231CC..Hα-helixtrans-62.4-46176.8-68.4167.9000111.2I435 D436 N441 N442 E443 A458 L461 R462I435-L439 HydrophobicContact CG2-CD1 3.89Å; I435-L439 HydrophobicContact CG2-CG 4.42Å; I435-L439 WeakPolarHBondContact O-CG 3.18Å; I435-L439 PolarHBondContact O-N 3.48Å; D436-L439 PolarHBondContact O-N 3.39Å; L439-N441 VanDerWaalsContact C-N 3.35Å; L439-N441 PolarHBondContact O-N 2.98Å; L439-N442 PolarHBondContact O-N 3.34Å; L439-E443 PolarHBondContact O-N 3.46Å; L439-A458 HydrophobicContact CD2-CB 4Å; L439-L461 HydrophobicContact CD2-CB 3.95Å; L439-L461 HydrophobicContact CD2-CD1 4.35Å; L439-R462 HydrophobicContact CD1-CG 3.9Å; L439-R462 HydrophobicContact CD2-CG 4.18Å
440A97Very high94.7Very high43 Ų4351.5 Ų51.536%0.35525%0.251SS..Hα-helixtrans-62.7-38.6177.900000112.8D436 R437 K444D436-A440 WeakPolarHBondContact O-CB 3.38Å; D436-A440 PolarHBondContact O-N 3.41Å; R437-A440 PolarHBondContact O-N 2.96Å; A440-K444 WeakPolarHBondContact O-CG 3.06Å
441N97.3Very high94.8Very high3 Ų353.1 Ų53.12%0.01626%0.261CS..Hα-helixtrans-73.5-35.7175.8-75.1-26.3000112.3R437 L438 L439 E443 K444 C445 L584 T588R437-N441 WeakPolarHBondContact O-CB 3.48Å; R437-N441 PolarHBondContact O-N 2.73Å; R437-N441 PolarHBondContact O-ND2 3.35Å; L438-N441 PolarHBondContact O-N 3.44Å; L439-N441 VanDerWaalsContact C-N 3.35Å; L439-N441 PolarHBondContact O-N 2.98Å; N441-E443 VanDerWaalsContact C-N 3.32Å; N441-E443 PolarHBondContact O-N 3.29Å; N441-K444 PolarHBondContact O-N 2.91Å; N441-K444 PolarHBondContact OD1-NZ 2.62Å; N441-C445 PolarHBondContact O-SG 2.92Å; N441-L584 HydrophobicContact CB-CD1 3.95Å; N441-T588 PolarHBondContact ND2-OG1 3.42Å; N441-T588 VanDerWaalsContact ND2-OG1 3.11Å
442N96.4Very high94.9Very high6 Ų653.1 Ų53.13%0.03226%0.261CS..Hα-helixtrans-64.2-36174.3-178.559.3000112.6L438 L439 K444 C445 W447 F457 L461 L584L438-N442 VanDerWaalsContact O-CB 3.29Å; L438-N442 WeakPolarHBondContact O-CB 3.35Å; L438-N442 PolarHBondContact O-N 3.18Å; L439-N442 PolarHBondContact O-N 3.34Å; N442-K444 VanDerWaalsContact C-N 3.25Å; N442-K444 PolarHBondContact O-N 2.93Å; N442-C445 WeakPolarHBondContact O-CB 3.42Å; N442-C445 PolarHBondContact O-N 3.1Å; N442-C445 VanDerWaalsContact O-N 3.11Å; N442-W447 VanDerWaalsContact OD1-CZ2 3.27Å; N442-W447 WeakPolarHBondContact OD1-CZ2 3.32Å; N442-W447 PolarHBondContact OD1-NE1 3.3Å; N442-W447 VanDerWaalsContact OD1-NE1 3.15Å; N442-F457 WeakPolarHBondContact OD1-CD1 3.29Å; N442-L461 HydrophobicContact CB-CD1 4.23Å; N442-L584 HydrophobicContact CB-CD2 3.96Å
443E95.2Very high95.1Very high141 Ų14151.4 Ų51.466%0.65925%0.251SS*.Hα-helixtrans-63.7-30.9178-170.4174.4-171.800112.6L439 N441 C445 R453L439-E443 PolarHBondContact O-N 3.46Å; N441-E443 VanDerWaalsContact C-N 3.32Å; N441-E443 PolarHBondContact O-N 3.29Å; E443-C445 PolarHBondContact O-N 3.04Å; E443-R453 PolarHBondContact O-NH1 3.12Å
444K95.9Very high94.9Very high135 Ų13550.6 Ų50.659%0.58725%0.247SC*.THydrogen-bonded Turntrans-70.9-14175.3-62.5169-168.81660113.4A440 N441 N442 P594A440-K444 WeakPolarHBondContact O-CG 3.06Å; N441-K444 PolarHBondContact O-N 2.91Å; N441-K444 PolarHBondContact OD1-NZ 2.62Å; N442-K444 VanDerWaalsContact C-N 3.25Å; N442-K444 PolarHBondContact O-N 2.93Å; K444-P594 HydrophobicContact CB-CG 4.27Å
445C96.1Very high94.5Very high3 Ų352.5 Ų52.52%0.0227%0.267CS..SBendtrans-90.5139.6-180-56.50000111.5N441 N442 E443 R453 P594 F596N441-C445 PolarHBondContact O-SG 2.92Å; N442-C445 WeakPolarHBondContact O-CB 3.42Å; N442-C445 PolarHBondContact O-N 3.1Å; N442-C445 VanDerWaalsContact O-N 3.11Å; E443-C445 PolarHBondContact O-N 3.04Å; C445-R453 PolarHBondContact O-NH1 3.35Å; C445-P594 WeakPolarHBondContact SG-CB 3.45Å; C445-F596 HydrophobicContact CB-CD2 4.33Å; C445-F596 HydrophobicContact CB-CE2 3.96Å; C445-F596 PolarHBondContact SG-O 3.36Å
446L96Very high94Very high71 Ų7158 Ų5837%0.37229%0.286SS..EExtended strand (participates in β ladder)trans-85.5123.3167.2-179.964.8000109.9V448 R597 N598 L599 Y727L446-V448 HydrophobicContact CG-CG2 4.49Å; L446-R597 PolarHBondContact N-O 3.22Å; L446-N598 WeakPolarHBondContact CB-OD1 3.5Å; L446-N598 WeakPolarHBondContact CD2-OD1 3.23Å; L446-N598 CarbonylContact O-C 3.59Å; L446-N598 WeakPolarHBondContact O-CA 3.49Å; L446-L599 PolarHBondContact O-N 3.36Å; L446-Y727 HydrophobicContact CD2-CD2 4.33Å
447W96.5Very high93.7Very high2 Ų251.6 Ų51.61%0.00825%0.252CS..EExtended strand (participates in β ladder)trans-112.5135175.4-69.158.1000110.1N442 P449 D450 V452 R453 F457 T576 F580 F596 L599 V601N442-W447 VanDerWaalsContact OD1-CZ2 3.27Å; N442-W447 WeakPolarHBondContact OD1-CZ2 3.32Å; N442-W447 PolarHBondContact OD1-NE1 3.3Å; N442-W447 VanDerWaalsContact OD1-NE1 3.15Å; W447-P449 CarbonylContact O-C 3.55Å; W447-D450 WeakPolarHBondContact O-CA 3.49Å; W447-D450 PolarHBondContact O-N 3.37Å; W447-V452 HydrophobicContact CE3-CB 4.18Å; W447-V452 HydrophobicContact CE3-CG1 3.81Å; W447-V452 HydrophobicContact CZ3-CG1 3.79Å; W447-R453 HydrophobicContact CB-CB 3.79Å; W447-R453 HydrophobicContact CB-CG 4.45Å; W447-R453 HydrophobicContact CD2-CB 3.94Å; W447-R453 HydrophobicContact CD2-CG 4.27Å; W447-R453 HydrophobicContact CG-CB 3.58Å; W447-R453 HydrophobicContact CG-CG 3.87Å; W447-F457 HydrophobicContact CH2-CB 3.82Å; W447-F457 AromaticContact CH2-CD1 3.32Å; W447-F457 HydrophobicContact CH2-CD1 3.32Å; W447-F457 HydrophobicContact CH2-CD2 4.01Å; W447-F457 AromaticContact CH2-CE1 3.74Å; W447-F457 HydrophobicContact CH2-CE1 3.74Å; W447-F457 HydrophobicContact CH2-CE2 4.38Å; W447-F457 AromaticContact CH2-CG 3.46Å; W447-F457 HydrophobicContact CH2-CG 3.46Å; W447-F457 VanDerWaalsContact CH2-CG 3.46Å; W447-F457 HydrophobicContact CH2-CZ 4.25Å; W447-F457 HydrophobicContact CZ2-CB 4.39Å; W447-F457 AromaticContact CZ2-CD1 3.29Å; W447-F457 HydrophobicContact CZ2-CD1 3.29Å; W447-F457 AromaticContact CZ2-CE1 3.57Å; W447-F457 HydrophobicContact CZ2-CE1 3.57Å; W447-F457 AromaticContact CZ2-CG 3.93Å; W447-F457 HydrophobicContact CZ2-CG 3.93Å; W447-F457 HydrophobicContact CZ2-CZ 4.42Å; W447-F457 HydrophobicContact CZ3-CB 4.15Å; W447-F457 HydrophobicContact CZ3-CD1 4.4Å; W447-F457 HydrophobicContact CZ3-CG 4.24Å; W447-T576 HydrophobicContact CZ3-CG2 4.22Å; W447-F580 HydrophobicContact CH2-CB 4.36Å; W447-F580 HydrophobicContact CH2-CD2 4.05Å; W447-F580 HydrophobicContact CH2-CG 4.5Å; W447-F580 HydrophobicContact CZ3-CD2 4.12Å; W447-F596 HydrophobicContact CZ2-CZ 4.31Å; W447-L599 CarbonylContact C-O 3.52Å; W447-L599 WeakPolarHBondContact CA-O 3.34Å; W447-L599 HydrophobicContact CD2-CD2 3.76Å; W447-L599 HydrophobicContact CD2-CG 4.43Å; W447-L599 HydrophobicContact CE3-CD2 3.57Å; W447-L599 HydrophobicContact CE3-CG 4.32Å; W447-L599 HydrophobicContact CH2-CD2 3.54Å; W447-L599 HydrophobicContact CZ2-CD2 3.73Å; W447-L599 HydrophobicContact CZ3-CD2 3.46Å; W447-L599 VanDerWaalsContact CZ3-CD2 3.46Å; W447-V601 HydrophobicContact CE3-CG2 3.76Å; W447-V601 HydrophobicContact CZ3-CG2 3.98Å
448V95.3Very high93.5Very high9 Ų947.4 Ų47.46%0.05524%0.237CC..EExtended strand (participates in β ladder)trans-121.8113.7174.1-176.50000109.1L446 L599 I600 V601 Y730L446-V448 HydrophobicContact CG-CG2 4.49Å; V448-L599 PolarHBondContact N-O 3.36Å; V448-I600 HydrophobicContact CB-CG1 4.36Å; V448-I600 WeakPolarHBondContact O-CA 3.45Å; V448-V601 PolarHBondContact O-N 3.22Å; V448-Y730 HydrophobicContact CG1-CD1 4.35Å; V448-Y730 HydrophobicContact CG1-CE1 3.79Å
449P93.7Very high93.3Very high12 Ų1251 Ų518%0.07826%0.257CS..SBendcis-81150.9-0.233-34.2000113.8W447 F451 V452 A647W447-P449 CarbonylContact O-C 3.55Å; P449-F451 HydrophobicContact CB-CD1 3.78Å; P449-F451 HydrophobicContact CB-CE1 3.67Å; P449-F451 HydrophobicContact CG-CD1 3.81Å; P449-F451 HydrophobicContact CG-CE1 3.26Å; P449-F451 HydrophobicContact CG-CZ 3.91Å; P449-F451 PolarHBondContact O-N 3.12Å; P449-V452 HydrophobicContact CG-CG2 3.97Å; P449-V452 PolarHBondContact O-N 3.48Å; P449-A647 HydrophobicContact CG-CB 3.71Å
450D91.4Very high92.7Very high81 Ų8152.8 Ų52.843%0.43326%0.261SS..THydrogen-bonded Turntrans-60-36.3-171.4-176.252.4000114.5W447 V452 R453W447-D450 WeakPolarHBondContact O-CA 3.49Å; W447-D450 PolarHBondContact O-N 3.37Å; D450-V452 PolarHBondContact O-N 3.2Å; D450-R453 VanDerWaalsContact O-CB 3.3Å; D450-R453 WeakPolarHBondContact O-CB 3.48Å; D450-R453 PolarHBondContact O-N 3.03Å; D450-R453 IonicContact OD1-CZ 3.79Å; D450-R453 IonicContact OD1-NE 3.96Å; D450-R453 PolarHBondContact OD1-NE 3.28Å; D450-R453 IonicContact OD1-NH2 2.94Å; D450-R453 PolarHBondContact OD1-NH2 2.91Å
451F92.8Very high92.4Very high105 Ų10550.8 Ų50.846%0.46124%0.244SC..Hα-helixtrans-58.6-21.7-179.377.6-97000113.9P449 G455 A647P449-F451 HydrophobicContact CB-CD1 3.78Å; P449-F451 HydrophobicContact CB-CE1 3.67Å; P449-F451 HydrophobicContact CG-CD1 3.81Å; P449-F451 HydrophobicContact CG-CE1 3.26Å; P449-F451 HydrophobicContact CG-CZ 3.91Å; P449-F451 PolarHBondContact O-N 3.12Å; F451-G455 WeakPolarHBondContact O-CA 3.43Å; F451-G455 PolarHBondContact O-N 2.89Å; F451-A647 HydrophobicContact CZ-CB 4Å
452V92.7Very high92.1Very high0 Ų056.8 Ų56.80%027%0.267CS..Iπ-helixtrans-70.3-38177.7-1790000110.6W447 P449 D450 R456 F457 T576 V601 A647W447-V452 HydrophobicContact CE3-CB 4.18Å; W447-V452 HydrophobicContact CE3-CG1 3.81Å; W447-V452 HydrophobicContact CZ3-CG1 3.79Å; P449-V452 HydrophobicContact CG-CG2 3.97Å; P449-V452 PolarHBondContact O-N 3.48Å; D450-V452 PolarHBondContact O-N 3.2Å; V452-R456 HydrophobicContact CG1-CB 4.17Å; V452-R456 HydrophobicContact CG1-CG 4.5Å; V452-R456 WeakPolarHBondContact O-CB 3.31Å; V452-R456 PolarHBondContact O-N 3.21Å; V452-F457 PolarHBondContact O-N 3.28Å; V452-T576 HydrophobicContact CG1-CG2 3.79Å; V452-V601 HydrophobicContact CG1-CG1 4.29Å; V452-V601 HydrophobicContact CG1-CG2 4.16Å; V452-A647 HydrophobicContact CG2-CB 3.98Å
453R94Very high91.6Very high42 Ų4262.6 Ų62.616%0.15830%0.298CS..Iπ-helixtrans-58.8-54.7-179.8-173.4178.666.8161.26.8111.4E443 C445 W447 D450 A458E443-R453 PolarHBondContact O-NH1 3.12Å; C445-R453 PolarHBondContact O-NH1 3.35Å; W447-R453 HydrophobicContact CB-CB 3.79Å; W447-R453 HydrophobicContact CB-CG 4.45Å; W447-R453 HydrophobicContact CD2-CB 3.94Å; W447-R453 HydrophobicContact CD2-CG 4.27Å; W447-R453 HydrophobicContact CG-CB 3.58Å; W447-R453 HydrophobicContact CG-CG 3.87Å; D450-R453 VanDerWaalsContact O-CB 3.3Å; D450-R453 WeakPolarHBondContact O-CB 3.48Å; D450-R453 PolarHBondContact O-N 3.03Å; D450-R453 IonicContact OD1-CZ 3.79Å; D450-R453 IonicContact OD1-NE 3.96Å; D450-R453 PolarHBondContact OD1-NE 3.28Å; D450-R453 IonicContact OD1-NH2 2.94Å; D450-R453 PolarHBondContact OD1-NH2 2.91Å; R453-A458 VanDerWaalsContact O-CB 3.23Å; R453-A458 WeakPolarHBondContact O-CB 3.49Å; R453-A458 PolarHBondContact O-N 2.89Å
454E86Confident90.9Very high109 Ų10956.1 Ų56.151%0.50927%0.268SS..Iπ-helixtrans-84.7-47-174.6-68-179.2-166.100111.9N459E454-N459 PolarHBondContact O-N 3.23Å
455G86.4Confident90.3Very high42 Ų4257.7 Ų57.743%0.43327%0.271SS..Iπ-helixtrans-79.5-38.2-170.500000114.6F451 N459F451-G455 WeakPolarHBondContact O-CA 3.43Å; F451-G455 PolarHBondContact O-N 2.89Å; G455-N459 PolarHBondContact O-ND2 3.13Å
456R84.6Confident89.8Confident146 Ų14658.6 Ų58.655%0.55128%0.275SS*.Iπ-helixtrans-97.4-53.9-178.2-68.9-90.3-157.6-145.10.7111.3V452 W460V452-R456 HydrophobicContact CG1-CB 4.17Å; V452-R456 HydrophobicContact CG1-CG 4.5Å; V452-R456 WeakPolarHBondContact O-CB 3.31Å; V452-R456 PolarHBondContact O-N 3.21Å; R456-W460 WeakPolarHBondContact O-CB 3.23Å; R456-W460 PolarHBondContact O-N 3.07Å
457F90.7Very high89.4Confident1 Ų156.2 Ų56.20%0.00426%0.261CS..Iπ-helixtrans-85.2-52.8-166.1-166.9-118.9000112.5N442 W447 V452 N459 W460 L461 T576 F580 L584N442-F457 WeakPolarHBondContact OD1-CD1 3.29Å; W447-F457 HydrophobicContact CH2-CB 3.82Å; W447-F457 AromaticContact CH2-CD1 3.32Å; W447-F457 HydrophobicContact CH2-CD1 3.32Å; W447-F457 HydrophobicContact CH2-CD2 4.01Å; W447-F457 AromaticContact CH2-CE1 3.74Å; W447-F457 HydrophobicContact CH2-CE1 3.74Å; W447-F457 HydrophobicContact CH2-CE2 4.38Å; W447-F457 AromaticContact CH2-CG 3.46Å; W447-F457 HydrophobicContact CH2-CG 3.46Å; W447-F457 VanDerWaalsContact CH2-CG 3.46Å; W447-F457 HydrophobicContact CH2-CZ 4.25Å; W447-F457 HydrophobicContact CZ2-CB 4.39Å; W447-F457 AromaticContact CZ2-CD1 3.29Å; W447-F457 HydrophobicContact CZ2-CD1 3.29Å; W447-F457 AromaticContact CZ2-CE1 3.57Å; W447-F457 HydrophobicContact CZ2-CE1 3.57Å; W447-F457 AromaticContact CZ2-CG 3.93Å; W447-F457 HydrophobicContact CZ2-CG 3.93Å; W447-F457 HydrophobicContact CZ2-CZ 4.42Å; W447-F457 HydrophobicContact CZ3-CB 4.15Å; W447-F457 HydrophobicContact CZ3-CD1 4.4Å; W447-F457 HydrophobicContact CZ3-CG 4.24Å; V452-F457 PolarHBondContact O-N 3.28Å; F457-N459 PolarHBondContact O-N 3.32Å; F457-W460 HydrophobicContact CD2-CE3 4.46Å; F457-W460 HydrophobicContact CE2-CE3 4.4Å; F457-W460 HydrophobicContact CE2-CZ3 4.39Å; F457-W460 WeakPolarHBondContact O-CB 3.46Å; F457-W460 PolarHBondContact O-N 2.9Å; F457-L461 HydrophobicContact CD1-CD1 3.92Å; F457-L461 HydrophobicContact CD1-CG 4.43Å; F457-L461 HydrophobicContact CE1-CD1 3.8Å; F457-L461 HydrophobicContact CE1-CG 4.35Å; F457-L461 HydrophobicContact CZ-CD1 4.4Å; F457-L461 HydrophobicContact CZ-CD2 4.35Å; F457-L461 WeakPolarHBondContact O-CG 3.36Å; F457-L461 PolarHBondContact O-N 3.22Å; F457-T576 HydrophobicContact CD2-CG2 4.5Å; F457-T576 WeakPolarHBondContact CD2-O 3.36Å; F457-T576 WeakPolarHBondContact CE2-O 3.32Å; F457-F580 HydrophobicContact CE2-CB 4.15Å; F457-F580 HydrophobicContact CZ-CB 4.14Å; F457-L584 HydrophobicContact CE1-CD2 3.72Å; F457-L584 HydrophobicContact CZ-CD2 4.17Å
458A93.4Very high89Confident7 Ų756.4 Ų56.46%0.05826%0.263CS..Iπ-helixtrans-61.4-41.1178.700000112.7L439 R453 W460 L461 R462L439-A458 HydrophobicContact CD2-CB 4Å; R453-A458 VanDerWaalsContact O-CB 3.23Å; R453-A458 WeakPolarHBondContact O-CB 3.49Å; R453-A458 PolarHBondContact O-N 2.89Å; A458-W460 VanDerWaalsContact C-N 3.26Å; A458-W460 PolarHBondContact O-N 3.17Å; A458-L461 PolarHBondContact O-N 2.7Å; A458-R462 PolarHBondContact O-N 2.83Å; A458-R462 VanDerWaalsContact O-N 3.11Å
459N90.5Very high88.8Confident77 Ų7756 Ų5641%0.41226%0.261SS..Hα-helixtrans-55.1-43.6172.4-77.5-15.3000111.9E454 G455 F457 R462E454-N459 PolarHBondContact O-N 3.23Å; G455-N459 PolarHBondContact O-ND2 3.13Å; F457-N459 PolarHBondContact O-N 3.32Å; N459-R462 PolarHBondContact O-N 2.85Å; N459-R462 PolarHBondContact OD1-NH1 3.24Å
460W84.7Confident88.6Confident74 Ų7455.7 Ų55.728%0.2826%0.259SS..Hα-helixtrans-71.7-34.3178.8179.178.8000112.8R456 F457 A458 R462 D463 A464 Y581R456-W460 WeakPolarHBondContact O-CB 3.23Å; R456-W460 PolarHBondContact O-N 3.07Å; F457-W460 HydrophobicContact CD2-CE3 4.46Å; F457-W460 HydrophobicContact CE2-CE3 4.4Å; F457-W460 HydrophobicContact CE2-CZ3 4.39Å; F457-W460 WeakPolarHBondContact O-CB 3.46Å; F457-W460 PolarHBondContact O-N 2.9Å; A458-W460 VanDerWaalsContact C-N 3.26Å; A458-W460 PolarHBondContact O-N 3.17Å; W460-R462 VanDerWaalsContact C-N 3.32Å; W460-R462 PolarHBondContact O-N 3.26Å; W460-D463 PolarHBondContact O-N 2.75Å; W460-A464 PolarHBondContact O-N 2.66Å; W460-Y581 HydrophobicContact CE3-CD2 4.37Å; W460-Y581 AromaticContact CH2-CD1 3.5Å; W460-Y581 HydrophobicContact CH2-CD1 3.5Å; W460-Y581 AromaticContact CH2-CD2 3.24Å; W460-Y581 HydrophobicContact CH2-CD2 3.24Å; W460-Y581 AromaticContact CH2-CE1 3.69Å; W460-Y581 HydrophobicContact CH2-CE1 3.69Å; W460-Y581 AromaticContact CH2-CE2 3.37Å; W460-Y581 HydrophobicContact CH2-CE2 3.37Å; W460-Y581 AromaticContact CH2-CG 3.22Å; W460-Y581 HydrophobicContact CH2-CG 3.22Å; W460-Y581 AromaticContact CH2-CZ 3.59Å; W460-Y581 HydrophobicContact CZ3-CD1 4.14Å; W460-Y581 AromaticContact CZ3-CD2 3.08Å; W460-Y581 HydrophobicContact CZ3-CD2 3.08Å; W460-Y581 AromaticContact CZ3-CE2 3.51Å; W460-Y581 HydrophobicContact CZ3-CE2 3.51Å; W460-Y581 AromaticContact CZ3-CG 3.36Å; W460-Y581 HydrophobicContact CZ3-CG 3.36Å
461L90.8Very high88.3Confident0 Ų055.4 Ų55.40%025%0.252CS..Hα-helixtrans-63.1-34.6174.4-69.9175.9000112.9L438 L439 N442 F457 A458 D463 A464 Y581 L584L438-L461 HydrophobicContact CB-CD1 4.47Å; L438-L461 HydrophobicContact CD1-CD2 4.48Å; L439-L461 HydrophobicContact CD2-CB 3.95Å; L439-L461 HydrophobicContact CD2-CD1 4.35Å; N442-L461 HydrophobicContact CB-CD1 4.23Å; F457-L461 HydrophobicContact CD1-CD1 3.92Å; F457-L461 HydrophobicContact CD1-CG 4.43Å; F457-L461 HydrophobicContact CE1-CD1 3.8Å; F457-L461 HydrophobicContact CE1-CG 4.35Å; F457-L461 HydrophobicContact CZ-CD1 4.4Å; F457-L461 HydrophobicContact CZ-CD2 4.35Å; F457-L461 WeakPolarHBondContact O-CG 3.36Å; F457-L461 PolarHBondContact O-N 3.22Å; A458-L461 PolarHBondContact O-N 2.7Å; L461-D463 PolarHBondContact O-N 2.71Å; L461-A464 VanDerWaalsContact O-CB 3.25Å; L461-A464 WeakPolarHBondContact O-CB 3.39Å; L461-A464 PolarHBondContact O-N 2.99Å; L461-Y581 HydrophobicContact CD2-CD2 3.97Å; L461-Y581 HydrophobicContact CD2-CE2 4.22Å; L461-L584 HydrophobicContact CD1-CD2 3.76Å; L461-L584 HydrophobicContact CD2-CD2 4.47Å
462R91.4Very high88Confident130 Ų13053 Ų5349%0.49124%0.243SC..Hα-helixtrans-62.8-30.6178.5-70.2-170.3-159.999.53.1113.3L439 A458 N459 W460L439-R462 HydrophobicContact CD1-CG 3.9Å; L439-R462 HydrophobicContact CD2-CG 4.18Å; A458-R462 PolarHBondContact O-N 2.83Å; A458-R462 VanDerWaalsContact O-N 3.11Å; N459-R462 PolarHBondContact O-N 2.85Å; N459-R462 PolarHBondContact OD1-NH1 3.24Å; W460-R462 VanDerWaalsContact C-N 3.32Å; W460-R462 PolarHBondContact O-N 3.26Å
463D85.6Confident87.6Confident128 Ų12854.6 Ų54.668%0.68425%0.25SC*.THydrogen-bonded Turntrans-102.311.3-179.9-61.2-43.7000112.4W460 L461W460-D463 PolarHBondContact O-N 2.75Å; L461-D463 PolarHBondContact O-N 2.71Å
464A81.3Confident87.4Confident5 Ų553.9 Ų53.94%0.04125%0.248CC..  trans-62.4139.3-17800000111.4V431 W460 L461V431-A464 HydrophobicContact CG1-CB 4.15Å; W460-A464 PolarHBondContact O-N 2.66Å; L461-A464 VanDerWaalsContact O-CB 3.25Å; L461-A464 WeakPolarHBondContact O-CB 3.39Å; L461-A464 PolarHBondContact O-N 2.99Å
465R83.6Confident87.7Confident168 Ų16848.7 Ų48.763%0.63422%0.223SC*.  trans-106.8163.9177-63-65-177.2-164-8.9110.3E432 W467E432-R465 WeakPolarHBondContact OE1-CD 3.29Å; E432-R465 IonicContact OE1-CZ 3.22Å; E432-R465 IonicContact OE1-NE 3.98Å; E432-R465 IonicContact OE1-NH1 2.84Å; E432-R465 PolarHBondContact OE1-NH1 2.69Å; R465-W467 PolarHBondContact O-N 3.33Å
466D84.7Confident88Confident22 Ų2246.7 Ų46.712%0.11820%0.203CC..  trans-53.5131.3172.3-73.1-11.7000110.8Y184 K356 F428 I429 R430 V431 E432 A468Y184-D466 HydrophobicContact CE1-CB 4.35Å; Y184-D466 WeakPolarHBondContact CE1-OD2 3.35Å; Y184-D466 PolarHBondContact OH-OD2 3.37Å; K356-D466 IonicContact NZ-OD2 3.81Å; F428-D466 HydrophobicContact CD1-CB 4.21Å; I429-D466 CarbonylContact O-C 3.53Å; I429-D466 WeakPolarHBondContact O-CA 3.49Å; I429-D466 WeakPolarHBondContact O-CB 3.22Å; R430-D466 VanDerWaalsContact CA-OD1 3.3Å; R430-D466 WeakPolarHBondContact CA-OD1 3.27Å; V431-D466 PolarHBondContact N-OD1 2.8Å; E432-D466 PolarHBondContact N-OD1 2.91Å; E432-D466 VanDerWaalsContact N-OD1 3.07Å; D466-A468 PolarHBondContact O-N 3.16Å
467W87.9Confident88.6Confident21 Ų2139.8 Ų39.88%0.0818%0.177CC..EExtended strand (participates in β ladder)trans-85.9113.2-170174.718.9000110.8F428 I429 V431 R465 V469 D537 W539 F540 T582 V585 L586F428-W467 CarbonylContact C-O 3.33Å; F428-W467 VanDerWaalsContact CA-O 3.25Å; F428-W467 WeakPolarHBondContact CA-O 3.24Å; I429-W467 HydrophobicContact CB-CB 4.45Å; I429-W467 HydrophobicContact CD1-CE3 3.94Å; I429-W467 HydrophobicContact CD1-CZ3 4.24Å; I429-W467 PolarHBondContact N-O 3.37Å; I429-W467 PolarHBondContact O-N 2.9Å; V431-W467 HydrophobicContact CG2-CB 3.93Å; R465-W467 PolarHBondContact O-N 3.33Å; W467-V469 HydrophobicContact CD2-CG1 3.57Å; W467-V469 HydrophobicContact CE3-CG1 4.03Å; W467-V469 HydrophobicContact CG-CG1 3.85Å; W467-V469 HydrophobicContact CZ2-CG1 4.11Å; W467-V469 HydrophobicContact CZ3-CG1 4.5Å; W467-V469 PolarHBondContact O-N 3.25Å; W467-D537 PolarHBondContact NE1-OD2 2.96Å; W467-W539 HydrophobicContact CZ2-CB 4.04Å; W467-F540 HydrophobicContact CH2-CB 3.87Å; W467-F540 AromaticContact CH2-CD2 3.73Å; W467-F540 HydrophobicContact CH2-CD2 3.73Å; W467-F540 HydrophobicContact CH2-CG 4.27Å; W467-F540 HydrophobicContact CZ2-CB 3.89Å; W467-F540 HydrophobicContact CZ2-CD2 4.3Å; W467-F540 AromaticContact CZ3-CD2 3.92Å; W467-F540 HydrophobicContact CZ3-CD2 3.92Å; W467-T582 HydrophobicContact CH2-CG2 3.31Å; W467-T582 HydrophobicContact CZ2-CG2 3.52Å; W467-T582 HydrophobicContact CZ3-CG2 3.94Å; W467-V585 HydrophobicContact CE3-CG1 4.14Å; W467-V585 HydrophobicContact CZ3-CG1 4.32Å; W467-L586 HydrophobicContact CZ3-CD2 4.21Å; W467-L586 HydrophobicContact CZ3-CG 4.25Å
468A87.4Confident88.9Confident6 Ų639.7 Ų39.75%0.0518%0.176CC..EExtended strand (participates in β ladder)trans-68.7106.3170.400000111.1K188 T426 F428 D466 R471K188-A468 HydrophobicContact CD-CB 3.8Å; T426-A468 HydrophobicContact CG2-CB 3.65Å; F428-A468 HydrophobicContact CD1-CB 4.01Å; F428-A468 HydrophobicContact CE1-CB 3.76Å; F428-A468 HydrophobicContact CZ-CB 4.4Å; D466-A468 PolarHBondContact O-N 3.16Å; A468-R471 PolarHBondContact O-NH1 3.36Å; A468-R471 PolarHBondContact O-NH2 2.87Å
469V90.4Very high89.1Confident0 Ų039.4 Ų39.40%017%0.174CC..  trans-99.7-15.7-175-70.40000114.8F174 W427 I429 W467 F536 D537 F540F174-V469 HydrophobicContact CE2-CG2 4.31Å; W427-V469 HydrophobicContact CB-CG2 4.23Å; W427-V469 WeakPolarHBondContact O-CG2 3.46Å; W427-V469 PolarHBondContact O-N 3.46Å; I429-V469 HydrophobicContact CD1-CB 4.43Å; I429-V469 HydrophobicContact CD1-CG1 3.4Å; I429-V469 HydrophobicContact CD1-CG2 4.34Å; I429-V469 HydrophobicContact CG1-CG1 3.81Å; I429-V469 HydrophobicContact CG1-CG2 4.1Å; W467-V469 HydrophobicContact CD2-CG1 3.57Å; W467-V469 HydrophobicContact CE3-CG1 4.03Å; W467-V469 HydrophobicContact CG-CG1 3.85Å; W467-V469 HydrophobicContact CZ2-CG1 4.11Å; W467-V469 HydrophobicContact CZ3-CG1 4.5Å; W467-V469 PolarHBondContact O-N 3.25Å; V469-F536 CarbonylContact O-C 3.51Å; V469-D537 WeakPolarHBondContact O-CB 3.45Å; V469-D537 PolarHBondContact O-N 2.65Å; V469-F540 HydrophobicContact CG1-CD2 3.93Å
470S91.1Very high89.5Confident5 Ų535.7 Ų35.74%0.03515%0.154CC..EExtended strand (participates in β ladder)trans-85.8147.1176.9660000113T426 W427 I479 V535T426-S470 WeakPolarHBondContact CA-OG 3.48Å; T426-S470 WeakPolarHBondContact CG2-OG 3.43Å; W427-S470 PolarHBondContact N-OG 2.64Å; S470-I479 VanDerWaalsContact CB-CD1 3.44Å; S470-V535 CarbonylContact C-O 3.57Å
471R85.1Confident90.1Very high76 Ų7632.2 Ų32.229%0.28714%0.141SC..EExtended strand (participates in β ladder)trans-133.6133.2175.5-59.9-67.4177.5-92.4-0.6109.3A468 R473 E534 V535 D537A468-R471 PolarHBondContact O-NH1 3.36Å; A468-R471 PolarHBondContact O-NH2 2.87Å; R471-R473 VanDerWaalsContact C-N 3.27Å; R471-R473 HydrophobicContact CB-CG 4.13Å; R471-R473 PolarHBondContact O-N 3.36Å; R471-E534 WeakPolarHBondContact O-CA 3.33Å; R471-V535 HydrophobicContact CB-CG2 4.15Å; R471-V535 PolarHBondContact N-O 3.2Å; R471-V535 PolarHBondContact O-N 3.43Å; R471-D537 HydrophobicContact CG-CB 4.37Å; R471-D537 IonicContact CZ-OD1 3.45Å; R471-D537 IonicContact CZ-OD2 2.73Å; R471-D537 IonicContact NE-OD1 2.8Å; R471-D537 IonicContact NH2-OD1 3.06Å; R471-D537 PolarHBondContact NH2-OD1 2.92Å; R471-D537 VanDerWaalsContact NH2-OD1 3.09Å; R471-D537 IonicContact NH2-OD2 3.25Å; R471-D537 PolarHBondContact NH2-OD2 2.65Å
472N85.2Confident90.4Very high53 Ų5332.2 Ų32.228%0.28314%0.141SC..  trans-83.972173.7-57.991.1000109.8P199P199-N472 HydrophobicContact CG-CB 3.93Å
473R84.2Confident90.6Very high35 Ų3526.4 Ų26.413%0.13212%0.12CC..  trans-138.2178.4-175.2-59.6-63.9-73.3176.14.5110.4E104 D108 R471 V535E104-R473 VanDerWaalsContact CB-NH2 3.33Å; E104-R473 IonicContact OE2-CZ 2.67Å; E104-R473 IonicContact OE2-NE 3.83Å; E104-R473 PolarHBondContact OE2-NE 3.22Å; E104-R473 IonicContact OE2-NH2 3.81Å; E104-R473 PolarHBondContact OE2-NH2 3.35Å; D108-R473 IonicContact OD2-NH2 3.99Å; R471-R473 VanDerWaalsContact C-N 3.27Å; R471-R473 HydrophobicContact CB-CG 4.13Å; R471-R473 PolarHBondContact O-N 3.36Å; R473-V535 HydrophobicContact CB-CG2 3.94Å
474F90.3Very high91Very high27 Ų2720.4 Ų20.412%0.1189%0.088CC..SBendtrans-108.6-41-170.8-57-79.7000113.1E104 P116 V119 V124 Y127 N128E104-F474 PolarHBondContact OE1-N 3.04Å; P116-F474 HydrophobicContact CB-CE2 4.32Å; P116-F474 HydrophobicContact CB-CZ 3.92Å; V119-F474 HydrophobicContact CB-CD2 4.17Å; V119-F474 HydrophobicContact CB-CE1 4.38Å; V119-F474 HydrophobicContact CB-CE2 3.69Å; V119-F474 HydrophobicContact CB-CZ 3.79Å; V119-F474 HydrophobicContact CG1-CD1 3.97Å; V119-F474 HydrophobicContact CG1-CD2 3.76Å; V119-F474 HydrophobicContact CG1-CE1 3.94Å; V119-F474 HydrophobicContact CG1-CE2 3.74Å; V119-F474 HydrophobicContact CG1-CG 3.86Å; V119-F474 HydrophobicContact CG1-CZ 3.82Å; V119-F474 HydrophobicContact CG2-CD2 4.09Å; V119-F474 HydrophobicContact CG2-CE2 3.73Å; V119-F474 HydrophobicContact CG2-CZ 4.34Å; V124-F474 HydrophobicContact CG1-CD1 4.37Å; V124-F474 HydrophobicContact CG2-CD1 3.93Å; V124-F474 HydrophobicContact CG2-CE1 4.22Å; Y127-F474 HydrophobicContact CD1-CB 4.03Å; Y127-F474 HydrophobicContact CE1-CB 4.14Å; Y127-F474 HydrophobicContact CE1-CD2 4.38Å; N128-F474 PolarHBondContact ND2-O 3.39Å
475W92.3Very high91.2Very high0 Ų027 Ų270%012%0.123CC..SBendtrans-101.897.9-175.6-175.6-113.9000111.7C98 H99 G100 E104 N128 C131 R132 M162 H511C98-W475 PolarHBondContact O-NE1 3.05Å; H99-W475 AromaticContact CD2-CE2 3.6Å; H99-W475 AromaticContact CD2-CZ2 3.89Å; H99-W475 AromaticContact CD2-NE1 3.59Å; G100-W475 PolarHBondContact N-O 2.98Å; E104-W475 HydrophobicContact CG-CB 3.66Å; E104-W475 PolarHBondContact OE1-N 3.44Å; N128-W475 HydrophobicContact CB-CE3 3.54Å; N128-W475 HydrophobicContact CB-CZ3 3.75Å; C131-W475 HydrophobicContact CB-CB 4.16Å; C131-W475 HydrophobicContact CB-CD2 3.47Å; C131-W475 VanDerWaalsContact CB-CD2 3.47Å; C131-W475 HydrophobicContact CB-CE3 4.11Å; C131-W475 HydrophobicContact CB-CG 3.47Å; C131-W475 VanDerWaalsContact CB-CG 3.47Å; C131-W475 HydrophobicContact CB-CZ2 4.33Å; R132-W475 HydrophobicContact CB-CH2 3.82Å; R132-W475 HydrophobicContact CB-CZ2 4.17Å; R132-W475 HydrophobicContact CG-CH2 4.29Å; M162-W475 HydrophobicContact CB-CZ2 4.31Å; M162-W475 HydrophobicContact SD-CH2 4.48Å; M162-W475 HydrophobicContact SD-CZ2 4.16Å; W475-H511 AromaticContact CE3-CD2 3.66Å; W475-H511 AromaticContact CH2-CD2 3.7Å; W475-H511 AromaticContact CH2-NE2 3.27Å; W475-H511 VanDerWaalsContact CH2-NE2 3.27Å; W475-H511 WeakPolarHBondContact CH2-NE2 3.21Å; W475-H511 AromaticContact CZ2-NE2 3.96Å; W475-H511 AromaticContact CZ3-CD2 3.2Å; W475-H511 WeakPolarHBondContact CZ3-CD2 3.4Å; W475-H511 AromaticContact CZ3-NE2 3.34Å; W475-H511 VanDerWaalsContact CZ3-NE2 3.34Å; W475-H511 WeakPolarHBondContact CZ3-NE2 3.25Å
476G93.1Very high91.3Very high0 Ų023.3 Ų23.30%012%0.115CC..SBendtrans176.4173.517700000111.3P478G476-P478 VanDerWaalsContact O-CD 3.23Å; G476-P478 WeakPolarHBondContact O-CD 3.4Å
477T96.9Very high91.3Very high0 Ų025.2 Ų25.20%012%0.124CC..PPolyproline II helixtrans-65121.1174.4-51.80000109.3M167 V170 V535 F536 E541M167-T477 HydrophobicContact CB-CG2 3.96Å; M167-T477 HydrophobicContact CE-CG2 4.14Å; M167-T477 HydrophobicContact CG-CG2 4.15Å; V170-T477 HydrophobicContact CB-CG2 4.35Å; V170-T477 HydrophobicContact CG1-CG2 4.08Å; T477-V535 CarbonylContact O-C 3.47Å; T477-V535 WeakPolarHBondContact O-CA 3.48Å; T477-F536 HydrophobicContact CG2-CD2 3.92Å; T477-F536 HydrophobicContact CG2-CE2 4.35Å; T477-F536 VanDerWaalsContact O-CD2 3.27Å; T477-F536 WeakPolarHBondContact O-CD2 3.46Å; T477-F536 PolarHBondContact O-N 2.76Å; T477-E541 WeakPolarHBondContact CB-OE1 3.14Å; T477-E541 PolarHBondContact N-OE1 2.96Å; T477-E541 PolarHBondContact OG1-OE1 3.5Å
478P97.4Very high91.3Very high0 Ų030.8 Ų30.80%015%0.151CC..BIsolated β-bridgetrans-66.3144179.1-25.940.2000111.5W171 G476 L510 K512 V515W171-P478 PolarHBondContact NE1-O 2.97Å; G476-P478 VanDerWaalsContact O-CD 3.23Å; G476-P478 WeakPolarHBondContact O-CD 3.4Å; P478-L510 WeakPolarHBondContact CD-O 3.23Å; P478-L510 WeakPolarHBondContact CG-O 3.48Å; P478-K512 HydrophobicContact CG-CB 4.35Å; P478-V515 HydrophobicContact CB-CG2 3.9Å; P478-V515 HydrophobicContact CG-CG2 3.78Å
479I97.6Very high91.5Very high0 Ų031.1 Ų31.10%015%0.152CC..PPolyproline II helixtrans-69.6126.4172.6-65.5-173.9000108.6F174 W427 S470 I481 R531 V532 E534 F536F174-I479 HydrophobicContact CE1-CG2 3.93Å; F174-I479 HydrophobicContact CZ-CG2 3.96Å; W427-I479 HydrophobicContact CB-CD1 4.41Å; W427-I479 HydrophobicContact CG-CD1 4.43Å; S470-I479 VanDerWaalsContact CB-CD1 3.44Å; I479-I481 HydrophobicContact CG2-CB 4.18Å; I479-I481 HydrophobicContact CG2-CD1 3.9Å; I479-I481 HydrophobicContact CG2-CG1 3.79Å; I479-I481 PolarHBondContact O-N 3.22Å; I479-R531 PolarHBondContact O-NH1 2.91Å; I479-R531 VanDerWaalsContact O-NH1 3.09Å; I479-V532 HydrophobicContact CB-CG2 4.01Å; I479-V532 HydrophobicContact CG2-CG2 3.98Å; I479-E534 HydrophobicContact CD1-CB 4.11Å; I479-E534 PolarHBondContact N-O 2.91Å; I479-E534 VanDerWaalsContact N-O 3.16Å; I479-F536 HydrophobicContact CB-CE2 4.49Å; I479-F536 HydrophobicContact CB-CZ 4.36Å; I479-F536 HydrophobicContact CD1-CD1 4.35Å; I479-F536 HydrophobicContact CD1-CE1 4.3Å; I479-F536 HydrophobicContact CG1-CD1 3.93Å; I479-F536 HydrophobicContact CG1-CD2 4.18Å; I479-F536 HydrophobicContact CG1-CE1 3.83Å; I479-F536 HydrophobicContact CG1-CE2 4.11Å; I479-F536 HydrophobicContact CG1-CG 4.09Å; I479-F536 HydrophobicContact CG1-CZ 3.92Å; I479-F536 HydrophobicContact CG2-CZ 4.45Å
480P97.5Very high91.6Very high0 Ų033.2 Ų33.20%016%0.164CC..  trans-85.746.6-170.836.4-39.2000113W171 F174 W482 C492 I493W171-P480 HydrophobicContact CB-CB 4.36Å; W171-P480 HydrophobicContact CB-CG 4.14Å; W171-P480 HydrophobicContact CD2-CB 3.46Å; W171-P480 VanDerWaalsContact CD2-CB 3.46Å; W171-P480 HydrophobicContact CD2-CG 4.11Å; W171-P480 HydrophobicContact CE3-CB 3.78Å; W171-P480 HydrophobicContact CG-CB 3.74Å; W171-P480 HydrophobicContact CG-CG 3.82Å; W171-P480 HydrophobicContact CH2-CB 4.34Å; W171-P480 HydrophobicContact CZ2-CB 4.07Å; W171-P480 HydrophobicContact CZ3-CB 4.21Å; F174-P480 HydrophobicContact CD1-CG 3.83Å; F174-P480 HydrophobicContact CE1-CG 4.47Å; P480-W482 HydrophobicContact CB-CZ3 4.21Å; P480-C492 CarbonylContact O-C 3.53Å; P480-C492 WeakPolarHBondContact O-CA 3.34Å; P480-I493 HydrophobicContact CB-CB 4.17Å; P480-I493 WeakPolarHBondContact CB-O 3.36Å; P480-I493 VanDerWaalsContact CG-O 3.26Å; P480-I493 WeakPolarHBondContact CG-O 3.37Å; P480-I493 PolarHBondContact O-N 3.29Å
481I97.4Very high91.9Very high0 Ų034.6 Ų34.60%017%0.173CC..EExtended strand (participates in β ladder)trans-109.4121.5179.3-65-179.6000109.2F174 W427 I479 T483 V490 V491 C492 R531 V532F174-I481 HydrophobicContact CE1-CD1 3.67Å; F174-I481 HydrophobicContact CE1-CG1 3.8Å; F174-I481 HydrophobicContact CZ-CD1 3.86Å; F174-I481 HydrophobicContact CZ-CG1 4.45Å; W427-I481 HydrophobicContact CD2-CD1 3.84Å; W427-I481 HydrophobicContact CE3-CD1 3.73Å; W427-I481 HydrophobicContact CH2-CD1 3.41Å; W427-I481 VanDerWaalsContact CH2-CD1 3.41Å; W427-I481 HydrophobicContact CH2-CG2 4.22Å; W427-I481 HydrophobicContact CZ2-CD1 3.53Å; W427-I481 HydrophobicContact CZ2-CG2 4.05Å; W427-I481 HydrophobicContact CZ3-CD1 3.51Å; I479-I481 HydrophobicContact CG2-CB 4.18Å; I479-I481 HydrophobicContact CG2-CD1 3.9Å; I479-I481 HydrophobicContact CG2-CG1 3.79Å; I479-I481 PolarHBondContact O-N 3.22Å; I481-T483 HydrophobicContact CG2-CG2 3.53Å; I481-V490 HydrophobicContact CG2-CG1 3.48Å; I481-V490 VanDerWaalsContact CG2-CG1 3.48Å; I481-V491 WeakPolarHBondContact CA-O 3.33Å; I481-C492 HydrophobicContact CG1-CB 4.49Å; I481-R531 CarbonylContact O-C 3.56Å; I481-R531 VanDerWaalsContact O-CA 3.31Å; I481-R531 WeakPolarHBondContact O-CA 3.3Å; I481-V532 HydrophobicContact CB-CG1 4.11Å; I481-V532 HydrophobicContact CB-CG2 4.09Å; I481-V532 HydrophobicContact CG2-CG1 3.89Å; I481-V532 PolarHBondContact O-N 3.09Å
482W97.3Very high92.4Very high0 Ų031.3 Ų31.30%016%0.161CC..EExtended strand (participates in β ladder)trans-102.4131.8169.4-83.4-106.1000109.6W171 P480 V490 V491 I493 L499 I518 I520 L529 H530 R531W171-W482 AromaticContact CH2-CH2 3.79Å; W171-W482 HydrophobicContact CH2-CH2 3.79Å; W171-W482 HydrophobicContact CH2-CZ3 4.23Å; W171-W482 HydrophobicContact CZ3-CH2 4.34Å; W171-W482 HydrophobicContact CZ3-CZ3 4.49Å; P480-W482 HydrophobicContact CB-CZ3 4.21Å; W482-V490 WeakPolarHBondContact O-CA 3.14Å; W482-V491 PolarHBondContact N-O 3.49Å; W482-V491 PolarHBondContact O-N 3.26Å; W482-I493 HydrophobicContact CD2-CG1 4.37Å; W482-I493 HydrophobicContact CE3-CB 4.3Å; W482-I493 HydrophobicContact CE3-CG1 3.46Å; W482-I493 VanDerWaalsContact CE3-CG1 3.46Å; W482-I493 HydrophobicContact CZ3-CB 3.96Å; W482-I493 HydrophobicContact CZ3-CG1 3.56Å; W482-L499 HydrophobicContact CH2-CD1 3.78Å; W482-L499 HydrophobicContact CH2-CD2 4.23Å; W482-L499 HydrophobicContact CZ2-CD1 3.72Å; W482-L499 HydrophobicContact CZ2-CD2 4.46Å; W482-L499 HydrophobicContact CZ3-CD1 4.31Å; W482-I518 PolarHBondContact NE1-O 3.12Å; W482-I520 HydrophobicContact CB-CD1 4.02Å; W482-I520 HydrophobicContact CD2-CD1 3.85Å; W482-I520 HydrophobicContact CE3-CD1 4.4Å; W482-I520 HydrophobicContact CG-CD1 3.64Å; W482-I520 HydrophobicContact CG-CG1 4.11Å; W482-L529 HydrophobicContact CB-CB 3.93Å; W482-H530 CarbonylContact C-O 3.58Å; W482-H530 WeakPolarHBondContact CA-O 3.27Å; W482-R531 HydrophobicContact CD2-CB 4.18Å; W482-R531 HydrophobicContact CD2-CG 4.23Å; W482-R531 HydrophobicContact CE3-CG 4.27Å; W482-R531 HydrophobicContact CH2-CG 4.04Å; W482-R531 HydrophobicContact CZ2-CB 4.01Å; W482-R531 HydrophobicContact CZ2-CG 3.99Å; W482-R531 HydrophobicContact CZ3-CG 4.19Å
483T95.4Very high93Very high8 Ų828.8 Ų28.85%0.04915%0.148CC..EExtended strand (participates in β ladder)trans-132.8154.6-176.577.20000111.8I481 M487 E489 V490 L529 H530 V532I481-T483 HydrophobicContact CG2-CG2 3.53Å; T483-M487 HydrophobicContact CG2-CE 4.15Å; T483-M487 HydrophobicContact CG2-SD 3.58Å; T483-M487 VanDerWaalsContact CG2-SD 3.58Å; T483-M487 VanDerWaalsContact OG1-CE 3.31Å; T483-M487 WeakPolarHBondContact OG1-CE 3.49Å; T483-M487 PolarHBondContact OG1-SD 3.29Å; T483-M487 VanDerWaalsContact OG1-SD 3.35Å; T483-E489 WeakPolarHBondContact CA-O 3.35Å; T483-V490 HydrophobicContact CG2-CG1 4.24Å; T483-V490 HydrophobicContact CG2-CG2 4.09Å; T483-L529 CarbonylContact O-C 3.59Å; T483-L529 VanDerWaalsContact O-CA 3.28Å; T483-L529 WeakPolarHBondContact O-CA 3.36Å; T483-H530 PolarHBondContact N-O 2.99Å; T483-H530 PolarHBondContact O-N 3.34Å; T483-V532 HydrophobicContact CG2-CG1 3.73Å
484S93.8Very high93.6Very high2 Ų227.3 Ų27.31%0.01414%0.143CC..  trans-67.7162.7161.352.20000110.2D486 M487 E488 E489S484-D486 VanDerWaalsContact CB-OD1 3.26Å; S484-D486 WeakPolarHBondContact CB-OD1 3.39Å; S484-D486 PolarHBondContact O-N 3.48Å; S484-D486 PolarHBondContact OG-OD1 2.96Å; S484-M487 PolarHBondContact O-N 3.19Å; S484-E488 PolarHBondContact OG-N 2.79Å; S484-E489 PolarHBondContact N-O 3.47Å; S484-E489 PolarHBondContact OG-N 3.03Å; S484-E489 VanDerWaalsContact OG-N 3.08Å; S484-E489 PolarHBondContact OG-O 3.03Å
485D86.7Confident94Very high145 Ų14527 Ų2778%0.77515%0.145SC*.THydrogen-bonded Turntrans-61.8-29.9-179.8-66.1-19.2000112.5H530D485-H530 IonicContact OD1-ND1 3.58Å
486D85.2Confident94.2Very high89 Ų8928.4 Ų28.448%0.47615%0.152SC..THydrogen-bonded Turntrans-85.9-5.3175.562.111.7000114S484 E488 R526S484-D486 VanDerWaalsContact CB-OD1 3.26Å; S484-D486 WeakPolarHBondContact CB-OD1 3.39Å; S484-D486 PolarHBondContact O-N 3.48Å; S484-D486 PolarHBondContact OG-OD1 2.96Å; D486-E488 HydrophobicContact CB-CG 4.36Å; D486-E488 PolarHBondContact O-N 2.88Å; D486-E488 PolarHBondContact OD1-N 3.43Å; D486-R526 IonicContact OD2-NE 3.54Å
487M85.3Confident94.3Very high63 Ų6330.7 Ų30.731%0.3118%0.175SC..SBendtrans61.915.7-176.9-65.1-95.6178.200115.5R185 T483 S484 V532R185-M487 PolarHBondContact NH1-SD 3.4Å; T483-M487 HydrophobicContact CG2-CE 4.15Å; T483-M487 HydrophobicContact CG2-SD 3.58Å; T483-M487 VanDerWaalsContact CG2-SD 3.58Å; T483-M487 VanDerWaalsContact OG1-CE 3.31Å; T483-M487 WeakPolarHBondContact OG1-CE 3.49Å; T483-M487 PolarHBondContact OG1-SD 3.29Å; T483-M487 VanDerWaalsContact OG1-SD 3.35Å; S484-M487 PolarHBondContact O-N 3.19Å; M487-V532 HydrophobicContact CE-CG1 4.21Å
488E87.1Confident94.3Very high137 Ų13733.4 Ų33.464%0.6419%0.188SC*.SBendtrans-78.6-29.8176.9-65.9-168.7166.800113.1S484 D486 R526S484-E488 PolarHBondContact OG-N 2.79Å; D486-E488 HydrophobicContact CB-CG 4.36Å; D486-E488 PolarHBondContact O-N 2.88Å; D486-E488 PolarHBondContact OD1-N 3.43Å; E488-R526 IonicContact OE2-CZ 3.52Å; E488-R526 IonicContact OE2-NE 3.56Å; E488-R526 IonicContact OE2-NH2 2.69Å; E488-R526 PolarHBondContact OE2-NH2 3.2Å
489E92.5Very high94.3Very high14 Ų1433.4 Ų33.47%0.06519%0.188CC..SBendtrans-104.7125.6168.9-174.7173.7-171.200109.3T483 S484 S522 S523 T524 L529T483-E489 WeakPolarHBondContact CA-O 3.35Å; S484-E489 PolarHBondContact N-O 3.47Å; S484-E489 PolarHBondContact OG-N 3.03Å; S484-E489 VanDerWaalsContact OG-N 3.08Å; S484-E489 PolarHBondContact OG-O 3.03Å; E489-S522 WeakPolarHBondContact OE2-CB 3.12Å; E489-S522 PolarHBondContact OE2-OG 3.27Å; E489-S523 WeakPolarHBondContact OE1-CB 3.41Å; E489-S523 PolarHBondContact OE1-N 3.37Å; E489-S523 PolarHBondContact OE1-OG 2.54Å; E489-T524 HydrophobicContact CG-CG2 4.34Å; E489-T524 PolarHBondContact OE2-OG1 3.2Å; E489-L529 HydrophobicContact CB-CD2 4.17Å; E489-L529 HydrophobicContact CG-CD1 4.14Å; E489-L529 HydrophobicContact CG-CD2 4.07Å
490V93.2Very high94.2Very high44 Ų4437.6 Ų37.627%0.26721%0.206SC..EExtended strand (participates in β ladder)trans-133.6121.9-178.8-178.80000108.4Y178 W427 I481 W482 T483Y178-V490 HydrophobicContact CE2-CG1 4.44Å; W427-V490 HydrophobicContact CH2-CG1 4.38Å; I481-V490 HydrophobicContact CG2-CG1 3.48Å; I481-V490 VanDerWaalsContact CG2-CG1 3.48Å; W482-V490 WeakPolarHBondContact O-CA 3.14Å; T483-V490 HydrophobicContact CG2-CG1 4.24Å; T483-V490 HydrophobicContact CG2-CG2 4.09Å
491V95.8Very high94.2Very high34 Ų3444.6 Ų44.621%0.20624%0.243CC..EExtended strand (participates in β ladder)trans-117.8121.9177.9178.30000108.5I481 W482 I493 L502 L529I481-V491 WeakPolarHBondContact CA-O 3.33Å; W482-V491 PolarHBondContact N-O 3.49Å; W482-V491 PolarHBondContact O-N 3.26Å; V491-I493 HydrophobicContact CG1-CD1 3.83Å; V491-L502 HydrophobicContact CG1-CD1 4.21Å; V491-L529 HydrophobicContact CB-CD1 4.29Å; V491-L529 HydrophobicContact CG2-CD1 3.65Å
492C97.2Very high94.1Very high7 Ų747.8 Ų47.85%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-101.4114176.8-171.80000110K175 Y178 P480 I481K175-C492 VanDerWaalsContact CE-O 3.32Å; K175-C492 WeakPolarHBondContact CE-O 3.34Å; Y178-C492 HydrophobicContact CD1-CB 3.58Å; Y178-C492 HydrophobicContact CD2-CB 4.18Å; Y178-C492 HydrophobicContact CE1-CB 3.86Å; Y178-C492 HydrophobicContact CE2-CB 4.42Å; Y178-C492 HydrophobicContact CG-CB 3.76Å; P480-C492 CarbonylContact O-C 3.53Å; P480-C492 WeakPolarHBondContact O-CA 3.34Å; I481-C492 HydrophobicContact CG1-CB 4.49Å
493I97.6Very high94Very high0 Ų048.9 Ų48.90%027%0.267CS..  trans-87.5138.2-178.2-55.4-64.1000110.2W171 P480 W482 V491 S495 E498 L499 L502 I520W171-I493 HydrophobicContact CE3-CB 4.47Å; W171-I493 HydrophobicContact CE3-CG2 3.99Å; W171-I493 HydrophobicContact CZ3-CB 4.41Å; W171-I493 HydrophobicContact CZ3-CG2 3.88Å; P480-I493 HydrophobicContact CB-CB 4.17Å; P480-I493 WeakPolarHBondContact CB-O 3.36Å; P480-I493 VanDerWaalsContact CG-O 3.26Å; P480-I493 WeakPolarHBondContact CG-O 3.37Å; P480-I493 PolarHBondContact O-N 3.29Å; W482-I493 HydrophobicContact CD2-CG1 4.37Å; W482-I493 HydrophobicContact CE3-CB 4.3Å; W482-I493 HydrophobicContact CE3-CG1 3.46Å; W482-I493 VanDerWaalsContact CE3-CG1 3.46Å; W482-I493 HydrophobicContact CZ3-CB 3.96Å; W482-I493 HydrophobicContact CZ3-CG1 3.56Å; V491-I493 HydrophobicContact CG1-CD1 3.83Å; I493-S495 VanDerWaalsContact CG2-O 3.29Å; I493-S495 WeakPolarHBondContact CG2-O 3.43Å; I493-E498 HydrophobicContact CD1-CG 4.16Å; I493-E498 HydrophobicContact CG2-CB 4.28Å; I493-E498 HydrophobicContact CG2-CG 4.32Å; I493-L499 HydrophobicContact CG1-CD1 4.41Å; I493-L499 HydrophobicContact CG2-CB 3.99Å; I493-L502 HydrophobicContact CD1-CD1 3.49Å; I493-L502 VanDerWaalsContact CD1-CD1 3.49Å; I493-I520 HydrophobicContact CD1-CD1 3.82Å; I493-I520 HydrophobicContact CG1-CD1 4.2Å
494G96.9Very high93.9Very high3 Ų351.7 Ų51.73%0.03130%0.297CS..  trans-114.7-7.3-176.900000114.6W172 E498W172-G494 WeakPolarHBondContact CA-O 3.37Å; W172-G494 PolarHBondContact N-O 3.33Å; G494-E498 PolarHBondContact N-OE2 3.09Å
495S97.4Very high93.8Very high22 Ų2254.9 Ų54.915%0.15432%0.317CS..  trans-157.7160.4-17962.90000112.9E168 I493 G497 E498 L499E168-S495 WeakPolarHBondContact OE1-CA 3.3Å; E168-S495 WeakPolarHBondContact OE1-CB 3.42Å; I493-S495 VanDerWaalsContact CG2-O 3.29Å; I493-S495 WeakPolarHBondContact CG2-O 3.43Å; S495-G497 VanDerWaalsContact C-N 3.27Å; S495-E498 PolarHBondContact O-N 3.39Å; S495-E498 WeakPolarHBondContact OG-CB 3.16Å; S495-E498 PolarHBondContact OG-N 3.06Å; S495-L499 PolarHBondContact O-N 3.48Å
496I96.6Very high94.1Very high29 Ų2954.3 Ų54.315%0.14931%0.309CS..Hα-helixtrans-61.7-39.7170.3-63.5172.3000109.6E168 L499 K500 V507 L510E168-I496 HydrophobicContact CB-CD1 4.35Å; E168-I496 HydrophobicContact CB-CG1 4.41Å; E168-I496 HydrophobicContact CG-CD1 4.32Å; E168-I496 HydrophobicContact CG-CG1 4Å; E168-I496 WeakPolarHBondContact OE1-CB 3.25Å; E168-I496 PolarHBondContact OE1-N 3.39Å; E168-I496 WeakPolarHBondContact OE2-CD1 3.5Å; I496-L499 PolarHBondContact O-N 2.76Å; I496-K500 WeakPolarHBondContact O-CB 3.43Å; I496-K500 PolarHBondContact O-N 3.01Å; I496-V507 HydrophobicContact CG2-CG1 4.02Å; I496-L510 HydrophobicContact CD1-CD1 4.16Å; I496-L510 HydrophobicContact CD1-CG 4.29Å; I496-L510 HydrophobicContact CG1-CD1 3.98Å; I496-L510 HydrophobicContact CG1-CD2 3.96Å; I496-L510 HydrophobicContact CG1-CG 4.19Å
497G96Very high94.5Very high48 Ų4850.9 Ų50.950%0.49529%0.291SS..Hα-helixtrans-61.1-43.9176.400000113.2S495 K500 L501S495-G497 VanDerWaalsContact C-N 3.27Å; G497-K500 PolarHBondContact O-N 2.98Å; G497-L501 WeakPolarHBondContact O-CB 3.45Å; G497-L501 PolarHBondContact O-N 3.09Å
498E96.9Very high94.9Very high56 Ų5653.6 Ų53.626%0.26231%0.312SS..Hα-helixtrans-65.2-41.7174.7-177.8176-160.600111.6K175 I493 G494 S495 K500 L501 L502K175-E498 WeakPolarHBondContact CE-OE1 3.45Å; I493-E498 HydrophobicContact CD1-CG 4.16Å; I493-E498 HydrophobicContact CG2-CB 4.28Å; I493-E498 HydrophobicContact CG2-CG 4.32Å; G494-E498 PolarHBondContact N-OE2 3.09Å; S495-E498 PolarHBondContact O-N 3.39Å; S495-E498 WeakPolarHBondContact OG-CB 3.16Å; S495-E498 PolarHBondContact OG-N 3.06Å; E498-K500 PolarHBondContact O-N 3.21Å; E498-L501 PolarHBondContact O-N 3.09Å; E498-L502 HydrophobicContact CG-CD1 4Å; E498-L502 WeakPolarHBondContact O-CG 3.16Å; E498-L502 PolarHBondContact O-N 3Å
499L96.7Very high95.2Very high0 Ų048.3 Ų48.30%029%0.288CS..Hα-helixtrans-60.4-45.3175.1-17358.3000111.5W171 W482 I493 S495 I496 L501 L502 S503 V507 I518 I520W171-L499 HydrophobicContact CH2-CD2 4.11Å; W171-L499 HydrophobicContact CZ3-CD2 4.09Å; W482-L499 HydrophobicContact CH2-CD1 3.78Å; W482-L499 HydrophobicContact CH2-CD2 4.23Å; W482-L499 HydrophobicContact CZ2-CD1 3.72Å; W482-L499 HydrophobicContact CZ2-CD2 4.46Å; W482-L499 HydrophobicContact CZ3-CD1 4.31Å; I493-L499 HydrophobicContact CG1-CD1 4.41Å; I493-L499 HydrophobicContact CG2-CB 3.99Å; S495-L499 PolarHBondContact O-N 3.48Å; I496-L499 PolarHBondContact O-N 2.76Å; L499-L501 VanDerWaalsContact C-N 3.34Å; L499-L501 PolarHBondContact O-N 2.77Å; L499-L502 PolarHBondContact O-N 3.45Å; L499-S503 VanDerWaalsContact O-CB 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.35Å; L499-S503 PolarHBondContact O-N 2.85Å; L499-S503 PolarHBondContact O-OG 2.83Å; L499-V507 HydrophobicContact CD2-CG1 4Å; L499-I518 HydrophobicContact CD1-CG2 4.18Å; L499-I518 HydrophobicContact CD2-CD1 4.1Å; L499-I520 HydrophobicContact CD1-CD1 4.16Å
500K96.4Very high95.4Very high88 Ų8847.7 Ų47.738%0.38329%0.285SS..Hα-helixtrans-62.3-41.3177.6180175.5176170.70111.7I496 G497 E498 G504 V505 E506I496-K500 WeakPolarHBondContact O-CB 3.43Å; I496-K500 PolarHBondContact O-N 3.01Å; G497-K500 PolarHBondContact O-N 2.98Å; E498-K500 PolarHBondContact O-N 3.21Å; K500-G504 WeakPolarHBondContact O-CA 3.5Å; K500-G504 PolarHBondContact O-N 3.48Å; K500-V505 WeakPolarHBondContact CA-O 3.5Å; K500-E506 HydrophobicContact CD-CB 3.95Å; K500-E506 HydrophobicContact CD-CG 4.11Å; K500-E506 HydrophobicContact CG-CB 4.43Å; K500-E506 IonicContact NZ-OE1 2.85Å; K500-E506 PolarHBondContact NZ-OE1 2.82Å; K500-E506 IonicContact NZ-OE2 2.78Å; K500-E506 PolarHBondContact NZ-OE2 2.95Å
501L96.4Very high95.6Very high147 Ų14745.6 Ų45.677%0.7727%0.272SS*.Hα-helixtrans-62.7-43.2177.8-178.666.3000112G497 E498 L499G497-L501 WeakPolarHBondContact O-CB 3.45Å; G497-L501 PolarHBondContact O-N 3.09Å; E498-L501 PolarHBondContact O-N 3.09Å; L499-L501 VanDerWaalsContact C-N 3.34Å; L499-L501 PolarHBondContact O-N 2.77Å
502L95.5Very high95.6Very high68 Ų6844.9 Ų44.936%0.35627%0.266SS..Hα-helixtrans-85.1-36.1-174.3-67.9175.2000113.8V491 I493 E498 L499 I520 P521V491-L502 HydrophobicContact CG1-CD1 4.21Å; I493-L502 HydrophobicContact CD1-CD1 3.49Å; I493-L502 VanDerWaalsContact CD1-CD1 3.49Å; E498-L502 HydrophobicContact CG-CD1 4Å; E498-L502 WeakPolarHBondContact O-CG 3.16Å; E498-L502 PolarHBondContact O-N 3Å; L499-L502 PolarHBondContact O-N 3.45Å; L502-I520 HydrophobicContact CB-CD1 4.18Å; L502-I520 HydrophobicContact CB-CG1 4.41Å; L502-I520 HydrophobicContact CB-CG2 4.02Å; L502-P521 VanDerWaalsContact O-CD 3.29Å; L502-P521 WeakPolarHBondContact O-CD 3.41Å
503S94.5Very high95.4Very high22 Ų2246.1 Ų46.115%0.15427%0.272CS..Hα-helixtrans-93.4-22-179.268.70000113.8L499 V505 I518 T519L499-S503 VanDerWaalsContact O-CB 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.35Å; L499-S503 PolarHBondContact O-N 2.85Å; L499-S503 PolarHBondContact O-OG 2.83Å; S503-V505 PolarHBondContact O-N 3.1Å; S503-V505 PolarHBondContact OG-N 3.29Å; S503-V505 VanDerWaalsContact OG-N 3.1Å; S503-I518 VanDerWaalsContact CB-CG2 3.45Å; S503-T519 WeakPolarHBondContact CB-O 3.45Å
504G93.9Very high95.4Very high67 Ų6750.6 Ų50.669%0.69129%0.291SS*.SBendtrans75.21.4-168.700000114.5K500K500-G504 WeakPolarHBondContact O-CA 3.5Å; K500-G504 PolarHBondContact O-N 3.48Å
505V92.9Very high95.3Very high69 Ų6950.5 Ų50.542%0.41829%0.29SS..  trans-106130-177-177.50000110.4K500 S503 I518K500-V505 WeakPolarHBondContact CA-O 3.5Å; S503-V505 PolarHBondContact O-N 3.1Å; S503-V505 PolarHBondContact OG-N 3.29Å; S503-V505 VanDerWaalsContact OG-N 3.1Å; V505-I518 HydrophobicContact CB-CG2 4.39Å; V505-I518 HydrophobicContact CG1-CD1 4.18Å; V505-I518 HydrophobicContact CG1-CG1 4.35Å
506E92.1Very high95.2Very high134 Ų13452.1 Ų52.163%0.62630%0.297SS*.  trans-91133.3171.4-175.2157.7-137.900110.3K500K500-E506 HydrophobicContact CD-CB 3.95Å; K500-E506 HydrophobicContact CD-CG 4.11Å; K500-E506 HydrophobicContact CG-CB 4.43Å; K500-E506 IonicContact NZ-OE1 2.85Å; K500-E506 PolarHBondContact NZ-OE1 2.82Å; K500-E506 IonicContact NZ-OE2 2.78Å; K500-E506 PolarHBondContact NZ-OE2 2.95Å
507V93.1Very high95.2Very high16 Ų1655.4 Ų55.410%0.09732%0.32CS..  trans-126.8140-177.2670000110.1I496 L499 D509 L510 F514 I518I496-V507 HydrophobicContact CG2-CG1 4.02Å; L499-V507 HydrophobicContact CD2-CG1 4Å; V507-D509 WeakPolarHBondContact CG2-O 3.33Å; V507-L510 HydrophobicContact CG1-CD2 3.92Å; V507-F514 HydrophobicContact CG2-CB 4.26Å; V507-I518 HydrophobicContact CB-CD1 4.23Å; V507-I518 HydrophobicContact CG2-CD1 4.45Å
508T93.7Very high95.2Very high120 Ų12053.7 Ų53.774%0.73630%0.299SS*.SBendtrans-106.8-16.6179560000113.2P164P164-T508 WeakPolarHBondContact CG-O 3.11Å
509D94.9Very high95.2Very high27 Ų2753.6 Ų53.614%0.14430%0.303CS..  trans-135126.2-179.7-173.4-40.1000108.8R132 V507 H511 F514R132-D509 IonicContact NH2-OD2 3.86Å; R132-D509 PolarHBondContact NH2-OD2 3.39Å; R132-D509 VanDerWaalsContact NH2-OD2 3.16Å; V507-D509 WeakPolarHBondContact CG2-O 3.33Å; D509-H511 WeakPolarHBondContact OD1-CB 3.35Å; D509-H511 IonicContact OD1-CE1 3.87Å; D509-H511 IonicContact OD1-CG 2.85Å; D509-H511 PolarHBondContact OD1-N 3.24Å; D509-H511 IonicContact OD1-ND1 3.77Å; D509-H511 PolarHBondContact OD1-ND1 2.93Å; D509-H511 IonicContact OD2-ND1 3.81Å; D509-F514 HydrophobicContact CB-CD2 3.61Å; D509-F514 HydrophobicContact CB-CE2 3.76Å; D509-F514 HydrophobicContact CB-CG 4.15Å; D509-F514 HydrophobicContact CB-CZ 4.4Å; D509-F514 VanDerWaalsContact CG-CE2 3.47Å; D509-F514 VanDerWaalsContact O-CB 3.24Å; D509-F514 WeakPolarHBondContact O-CB 3.15Å; D509-F514 WeakPolarHBondContact OD1-CD2 3.42Å
510L96.6Very high95.2Very high0 Ų053.8 Ų53.80%030%0.304CS..  trans-89.33.7-174.6-70.9179.7000113.9M167 E168 W171 P478 I496 V507 V515M167-L510 HydrophobicContact CB-CB 4.22Å; M167-L510 HydrophobicContact CB-CD1 3.89Å; M167-L510 HydrophobicContact CE-CB 3.69Å; M167-L510 HydrophobicContact SD-CB 4.11Å; E168-L510 HydrophobicContact CB-CD1 4.13Å; W171-L510 HydrophobicContact CD2-CD1 4.24Å; W171-L510 HydrophobicContact CE3-CD1 4.44Å; W171-L510 HydrophobicContact CE3-CD2 4.48Å; W171-L510 HydrophobicContact CH2-CD2 3.55Å; W171-L510 HydrophobicContact CZ2-CB 4.42Å; W171-L510 HydrophobicContact CZ2-CD1 4.45Å; W171-L510 HydrophobicContact CZ2-CD2 3.9Å; W171-L510 HydrophobicContact CZ2-CG 4.5Å; W171-L510 HydrophobicContact CZ3-CD2 3.88Å; P478-L510 WeakPolarHBondContact CD-O 3.23Å; P478-L510 WeakPolarHBondContact CG-O 3.48Å; I496-L510 HydrophobicContact CD1-CD1 4.16Å; I496-L510 HydrophobicContact CD1-CG 4.29Å; I496-L510 HydrophobicContact CG1-CD1 3.98Å; I496-L510 HydrophobicContact CG1-CD2 3.96Å; I496-L510 HydrophobicContact CG1-CG 4.19Å; V507-L510 HydrophobicContact CG1-CD2 3.92Å; L510-V515 HydrophobicContact CD2-CG1 3.98Å
511H96.7Very high95.1Very high0 Ų053.8 Ų53.80%031%0.313CS..SBendtrans-67.6158.1179.3-68.483000112.2H99 R132 M162 W475 D509 E513 F514 V515H99-H511 AromaticContact CE1-NE2 3.77Å; H99-H511 AromaticContact NE2-CD2 3.77Å; H99-H511 AromaticContact NE2-CE1 3.93Å; H99-H511 AromaticContact NE2-NE2 2.97Å; H99-H511 PolarHBondContact NE2-NE2 2.97Å; R132-H511 PolarHBondContact NH2-ND1 2.8Å; M162-H511 PolarHBondContact O-CE1 3.03Å; W475-H511 AromaticContact CE3-CD2 3.66Å; W475-H511 AromaticContact CH2-CD2 3.7Å; W475-H511 AromaticContact CH2-NE2 3.27Å; W475-H511 VanDerWaalsContact CH2-NE2 3.27Å; W475-H511 WeakPolarHBondContact CH2-NE2 3.21Å; W475-H511 AromaticContact CZ2-NE2 3.96Å; W475-H511 AromaticContact CZ3-CD2 3.2Å; W475-H511 WeakPolarHBondContact CZ3-CD2 3.4Å; W475-H511 AromaticContact CZ3-NE2 3.34Å; W475-H511 VanDerWaalsContact CZ3-NE2 3.34Å; W475-H511 WeakPolarHBondContact CZ3-NE2 3.25Å; D509-H511 WeakPolarHBondContact OD1-CB 3.35Å; D509-H511 IonicContact OD1-CE1 3.87Å; D509-H511 IonicContact OD1-CG 2.85Å; D509-H511 PolarHBondContact OD1-N 3.24Å; D509-H511 IonicContact OD1-ND1 3.77Å; D509-H511 PolarHBondContact OD1-ND1 2.93Å; D509-H511 IonicContact OD2-ND1 3.81Å; H511-E513 VanDerWaalsContact C-N 3.27Å; H511-E513 WeakPolarHBondContact CB-OE2 3.21Å; H511-E513 PolarHBondContact O-N 3.39Å; H511-E513 VanDerWaalsContact O-N 3.11Å; H511-F514 HydrophobicContact CB-CD2 4.23Å; H511-F514 PolarHBondContact O-N 2.65Å; H511-V515 PolarHBondContact O-N 3.17Å
512K95Very high95Very high19 Ų1947.6 Ų47.68%0.08328%0.282CS..Hα-helixtrans-48.3-43.6-171-172.3172.1172.858.50113.7V124 P478 F514 V515 D516 S533V124-K512 HydrophobicContact CG1-CB 4.49Å; V124-K512 HydrophobicContact CG1-CD 4.43Å; V124-K512 HydrophobicContact CG1-CG 4.5Å; P478-K512 HydrophobicContact CG-CB 4.35Å; K512-F514 PolarHBondContact O-N 3.21Å; K512-V515 PolarHBondContact O-N 3.41Å; K512-D516 VanDerWaalsContact CE-OD2 3.28Å; K512-D516 WeakPolarHBondContact CE-OD2 3.44Å; K512-D516 WeakPolarHBondContact CG-OD2 3.45Å; K512-D516 IonicContact NZ-OD1 2.68Å; K512-D516 IonicContact NZ-OD2 3.21Å; K512-D516 PolarHBondContact NZ-OD2 3Å; K512-D516 WeakPolarHBondContact O-CB 3.41Å; K512-D516 PolarHBondContact O-N 3.49Å; K512-S533 PolarHBondContact NZ-O 2.69Å
513E94.5Very high94.7Very high33 Ų3349.4 Ų49.415%0.15430%0.3CS..Hα-helixtrans-64.9-20.9-178.965.8-89.8-143.400114.5V124 A125 N128 H511V124-E513 HydrophobicContact CG1-CB 4.42Å; A125-E513 HydrophobicContact CB-CB 4.01Å; A125-E513 HydrophobicContact CB-CG 4.06Å; N128-E513 WeakPolarHBondContact CB-OE1 3.37Å; N128-E513 PolarHBondContact ND2-OE2 2.68Å; H511-E513 VanDerWaalsContact C-N 3.27Å; H511-E513 WeakPolarHBondContact CB-OE2 3.21Å; H511-E513 PolarHBondContact O-N 3.39Å; H511-E513 VanDerWaalsContact O-N 3.11Å
514F95.8Very high94.5Very high95 Ų9551.8 Ų51.842%0.41731%0.314SS..Hα-helixtrans-98.4-36.1179.5-59.5-73.5000112.6V507 D509 H511 K512V507-F514 HydrophobicContact CG2-CB 4.26Å; D509-F514 HydrophobicContact CB-CD2 3.61Å; D509-F514 HydrophobicContact CB-CE2 3.76Å; D509-F514 HydrophobicContact CB-CG 4.15Å; D509-F514 HydrophobicContact CB-CZ 4.4Å; D509-F514 VanDerWaalsContact CG-CE2 3.47Å; D509-F514 VanDerWaalsContact O-CB 3.24Å; D509-F514 WeakPolarHBondContact O-CB 3.15Å; D509-F514 WeakPolarHBondContact OD1-CD2 3.42Å; H511-F514 HydrophobicContact CB-CD2 4.23Å; H511-F514 PolarHBondContact O-N 2.65Å; K512-F514 PolarHBondContact O-N 3.21Å
515V96.2Very high94.2Very high0 Ų052 Ų520%032%0.316CS..Hα-helixtrans-91.9-27-175.3-60.80000114.3W171 P478 L510 H511 K512 P517 I518W171-V515 HydrophobicContact CH2-CG1 4.25Å; W171-V515 HydrophobicContact CZ2-CG1 4.48Å; P478-V515 HydrophobicContact CB-CG2 3.9Å; P478-V515 HydrophobicContact CG-CG2 3.78Å; L510-V515 HydrophobicContact CD2-CG1 3.98Å; H511-V515 PolarHBondContact O-N 3.17Å; K512-V515 PolarHBondContact O-N 3.41Å; V515-P517 VanDerWaalsContact C-CD 3.5Å; V515-I518 WeakPolarHBondContact O-CB 3.5Å; V515-I518 PolarHBondContact O-N 3.1Å; V515-I518 VanDerWaalsContact O-N 3.11Å
516D95.1Very high94.1Very high56 Ų5653.4 Ų53.430%0.29931%0.314SS..THydrogen-bonded Turntrans-59.8-37.7179.2-77.56.8000113.8K512 I518 R531K512-D516 VanDerWaalsContact CE-OD2 3.28Å; K512-D516 WeakPolarHBondContact CE-OD2 3.44Å; K512-D516 WeakPolarHBondContact CG-OD2 3.45Å; K512-D516 IonicContact NZ-OD1 2.68Å; K512-D516 IonicContact NZ-OD2 3.21Å; K512-D516 PolarHBondContact NZ-OD2 3Å; K512-D516 WeakPolarHBondContact O-CB 3.41Å; K512-D516 PolarHBondContact O-N 3.49Å; D516-I518 PolarHBondContact O-N 2.99Å; D516-R531 IonicContact OD1-CZ 3.53Å; D516-R531 IonicContact OD1-NE 3.59Å; D516-R531 PolarHBondContact OD1-NE 3.27Å; D516-R531 IonicContact OD1-NH2 3.17Å; D516-R531 PolarHBondContact OD1-NH2 3.45Å; D516-R531 IonicContact OD2-NH2 3.77Å
517P95.8Very high94.1Very high98 Ų9849.5 Ų49.564%0.63631%0.309SS*.THydrogen-bonded Turntrans-70.5-13.8176.1-20.734.5000114.7V515V515-P517 VanDerWaalsContact C-CD 3.5Å
518I96.5Very high94.2Very high12 Ų1251.9 Ų51.96%0.06232%0.324CS..  trans-80.3125.7-175.6-56.5177.9000109.3W482 L499 S503 V505 V507 V515 D516W482-I518 PolarHBondContact NE1-O 3.12Å; L499-I518 HydrophobicContact CD1-CG2 4.18Å; L499-I518 HydrophobicContact CD2-CD1 4.1Å; S503-I518 VanDerWaalsContact CB-CG2 3.45Å; V505-I518 HydrophobicContact CB-CG2 4.39Å; V505-I518 HydrophobicContact CG1-CD1 4.18Å; V505-I518 HydrophobicContact CG1-CG1 4.35Å; V507-I518 HydrophobicContact CB-CD1 4.23Å; V507-I518 HydrophobicContact CG2-CD1 4.45Å; V515-I518 WeakPolarHBondContact O-CB 3.5Å; V515-I518 PolarHBondContact O-N 3.1Å; V515-I518 VanDerWaalsContact O-N 3.11Å; D516-I518 PolarHBondContact O-N 2.99Å
519T96.7Very high94.3Very high54 Ų5446.2 Ų46.233%0.33129%0.289SS..  trans-113155.1176.155.10000111S503 V528 L529S503-T519 WeakPolarHBondContact CB-O 3.45Å; T519-V528 HydrophobicContact CG2-CG2 4.38Å; T519-L529 WeakPolarHBondContact CA-O 3.5Å
520I96Very high94.4Very high5 Ų548.7 Ų48.73%0.02630%0.3CS..EExtended strand (participates in β ladder)trans-118.3131.1177.2-63.5177.1000108.4W482 I493 L499 L502 S522 V528 L529W482-I520 HydrophobicContact CB-CD1 4.02Å; W482-I520 HydrophobicContact CD2-CD1 3.85Å; W482-I520 HydrophobicContact CE3-CD1 4.4Å; W482-I520 HydrophobicContact CG-CD1 3.64Å; W482-I520 HydrophobicContact CG-CG1 4.11Å; I493-I520 HydrophobicContact CD1-CD1 3.82Å; I493-I520 HydrophobicContact CG1-CD1 4.2Å; L499-I520 HydrophobicContact CD1-CD1 4.16Å; L502-I520 HydrophobicContact CB-CD1 4.18Å; L502-I520 HydrophobicContact CB-CG1 4.41Å; L502-I520 HydrophobicContact CB-CG2 4.02Å; I520-S522 PolarHBondContact O-N 2.96Å; I520-V528 CarbonylContact O-C 3.59Å; I520-V528 WeakPolarHBondContact O-CA 3.29Å; I520-L529 HydrophobicContact CB-CB 4.35Å; I520-L529 HydrophobicContact CG2-CD1 4.4Å; I520-L529 PolarHBondContact N-O 2.84Å; I520-L529 PolarHBondContact O-N 3.28Å
521P94.5Very high94.4Very high87 Ų8749.6 Ų49.657%0.56530%0.303SS*.EExtended strand (participates in β ladder)trans-59.4129.8172.9-21.233000111.1L502 S523L502-P521 VanDerWaalsContact O-CD 3.29Å; L502-P521 WeakPolarHBondContact O-CD 3.41Å; P521-S523 PolarHBondContact O-N 3.18Å
522S94.3Very high94.3Very high18 Ų1850 Ų5013%0.12631%0.305CS..  trans-64.3131.1178165.80000111.1E489 I520 T524 G525 R526 G527E489-S522 WeakPolarHBondContact OE2-CB 3.12Å; E489-S522 PolarHBondContact OE2-OG 3.27Å; I520-S522 PolarHBondContact O-N 2.96Å; S522-T524 PolarHBondContact O-N 2.61Å; S522-T524 PolarHBondContact OG-N 2.95Å; S522-T524 VanDerWaalsContact OG-N 3.15Å; S522-T524 PolarHBondContact OG-OG1 3.12Å; S522-G525 PolarHBondContact OG-N 2.88Å; S522-G525 VanDerWaalsContact OG-N 3.14Å; S522-R526 PolarHBondContact OG-N 3.21Å; S522-G527 VanDerWaalsContact CB-O 3.25Å; S522-G527 WeakPolarHBondContact CB-O 3.46Å; S522-G527 PolarHBondContact N-O 2.97Å
523S90.2Very high94.2Very high106 Ų10652.2 Ų52.274%0.74132%0.323SS*.THydrogen-bonded Turntrans-75.9-16.817468.10000112.5E489 P521E489-S523 WeakPolarHBondContact OE1-CB 3.41Å; E489-S523 PolarHBondContact OE1-N 3.37Å; E489-S523 PolarHBondContact OE1-OG 2.54Å; P521-S523 PolarHBondContact O-N 3.18Å
524T90.7Very high94.1Very high71 Ų7151.2 Ų51.244%0.43632%0.319SS..THydrogen-bonded Turntrans-105.67.5-176.269.40000113.9E489 S522 R526E489-T524 HydrophobicContact CG-CG2 4.34Å; E489-T524 PolarHBondContact OE2-OG1 3.2Å; S522-T524 PolarHBondContact O-N 2.61Å; S522-T524 PolarHBondContact OG-N 2.95Å; S522-T524 VanDerWaalsContact OG-N 3.15Å; S522-T524 PolarHBondContact OG-OG1 3.12Å; T524-R526 PolarHBondContact OG1-NH1 3.16Å
525G87.6Confident94Very high71 Ų7146.8 Ų46.873%0.73230%0.299SS*.SBendtrans79.913.9178.400000115.1S522 G527S522-G525 PolarHBondContact OG-N 2.88Å; S522-G525 VanDerWaalsContact OG-N 3.14Å; G525-G527 PolarHBondContact O-N 3.42Å
526R90Very high93.9Very high99 Ų9946.9 Ų46.937%0.37430%0.3SS..SBendtrans-8326.7178.2-66.8176.6171.669.5-2.3113.5D486 E488 S522 T524 V528D486-R526 IonicContact OD2-NE 3.54Å; E488-R526 IonicContact OE2-CZ 3.52Å; E488-R526 IonicContact OE2-NE 3.56Å; E488-R526 IonicContact OE2-NH2 2.69Å; E488-R526 PolarHBondContact OE2-NH2 3.2Å; S522-R526 PolarHBondContact OG-N 3.21Å; T524-R526 PolarHBondContact OG1-NH1 3.16Å; R526-V528 PolarHBondContact O-N 2.92Å
527G92Very high93.5Very high52 Ų5244.7 Ų44.754%0.53629%0.288SS..SBendtrans77.4-114.6-178.300000112.6S522 G525S522-G527 VanDerWaalsContact CB-O 3.25Å; S522-G527 WeakPolarHBondContact CB-O 3.46Å; S522-G527 PolarHBondContact N-O 2.97Å; G525-G527 PolarHBondContact O-N 3.42Å
528V94.5Very high93Very high66 Ų6640.6 Ų40.640%0.426%0.261SS..EExtended strand (participates in β ladder)trans-122.3145.5-179.8-61.90000110.5T519 I520 R526T519-V528 HydrophobicContact CG2-CG2 4.38Å; I520-V528 CarbonylContact O-C 3.59Å; I520-V528 WeakPolarHBondContact O-CA 3.29Å; R526-V528 PolarHBondContact O-N 2.92Å
529L97Very high92.6Very high1 Ų143.6 Ų43.61%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-92.4140.7175.4-47.8179.8000109.4W482 T483 E489 V491 T519 I520W482-L529 HydrophobicContact CB-CB 3.93Å; T483-L529 CarbonylContact O-C 3.59Å; T483-L529 VanDerWaalsContact O-CA 3.28Å; T483-L529 WeakPolarHBondContact O-CA 3.36Å; E489-L529 HydrophobicContact CB-CD2 4.17Å; E489-L529 HydrophobicContact CG-CD1 4.14Å; E489-L529 HydrophobicContact CG-CD2 4.07Å; V491-L529 HydrophobicContact CB-CD1 4.29Å; V491-L529 HydrophobicContact CG2-CD1 3.65Å; T519-L529 WeakPolarHBondContact CA-O 3.5Å; I520-L529 HydrophobicContact CB-CB 4.35Å; I520-L529 HydrophobicContact CG2-CD1 4.4Å; I520-L529 PolarHBondContact N-O 2.84Å; I520-L529 PolarHBondContact O-N 3.28Å
530H97.2Very high92.5Very high80 Ų8041 Ų4137%0.3726%0.256SS..EExtended strand (participates in β ladder)trans-114.1145.8177.5-60.496.7000110.4W482 T483 D485W482-H530 CarbonylContact C-O 3.58Å; W482-H530 WeakPolarHBondContact CA-O 3.27Å; T483-H530 PolarHBondContact N-O 2.99Å; T483-H530 PolarHBondContact O-N 3.34Å; D485-H530 IonicContact OD1-ND1 3.58Å
531R96.5Very high92.4Very high19 Ų1940.8 Ų40.87%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-64.6139.5174.6-159.9-169.170.877.13.8110.3I479 I481 W482 D516 S533 E534I479-R531 PolarHBondContact O-NH1 2.91Å; I479-R531 VanDerWaalsContact O-NH1 3.09Å; I481-R531 CarbonylContact O-C 3.56Å; I481-R531 VanDerWaalsContact O-CA 3.31Å; I481-R531 WeakPolarHBondContact O-CA 3.3Å; W482-R531 HydrophobicContact CD2-CB 4.18Å; W482-R531 HydrophobicContact CD2-CG 4.23Å; W482-R531 HydrophobicContact CE3-CG 4.27Å; W482-R531 HydrophobicContact CH2-CG 4.04Å; W482-R531 HydrophobicContact CZ2-CB 4.01Å; W482-R531 HydrophobicContact CZ2-CG 3.99Å; W482-R531 HydrophobicContact CZ3-CG 4.19Å; D516-R531 IonicContact OD1-CZ 3.53Å; D516-R531 IonicContact OD1-NE 3.59Å; D516-R531 PolarHBondContact OD1-NE 3.27Å; D516-R531 IonicContact OD1-NH2 3.17Å; D516-R531 PolarHBondContact OD1-NH2 3.45Å; D516-R531 IonicContact OD2-NH2 3.77Å; R531-S533 PolarHBondContact NH2-O 2.78Å; R531-S533 VanDerWaalsContact NH2-O 3.16Å; R531-E534 PolarHBondContact NH1-O 2.74Å
532V94.7Very high92.3Very high7 Ų736.7 Ų36.74%0.04223%0.229CC..  trans-58.3149.7168.1-57.50000110.1W427 I479 I481 T483 M487 E534W427-V532 HydrophobicContact CZ2-CG1 4.33Å; I479-V532 HydrophobicContact CB-CG2 4.01Å; I479-V532 HydrophobicContact CG2-CG2 3.98Å; I481-V532 HydrophobicContact CB-CG1 4.11Å; I481-V532 HydrophobicContact CB-CG2 4.09Å; I481-V532 HydrophobicContact CG2-CG1 3.89Å; I481-V532 PolarHBondContact O-N 3.09Å; T483-V532 HydrophobicContact CG2-CG1 3.73Å; M487-V532 HydrophobicContact CE-CG1 4.21Å; V532-E534 VanDerWaalsContact C-N 3.34Å; V532-E534 WeakPolarHBondContact CB-OE2 3.33Å; V532-E534 PolarHBondContact O-N 2.82Å
533S91.2Very high92.3Very high67 Ų6735.9 Ų35.947%0.46922%0.223SC..SBendtrans-76.7-22.2-170.663.70000113.9K512 R531K512-S533 PolarHBondContact NZ-O 2.69Å; R531-S533 PolarHBondContact NH2-O 2.78Å; R531-S533 VanDerWaalsContact NH2-O 3.16Å
534E92.5Very high92.6Very high11 Ų1130.8 Ų30.85%0.05119%0.188CC..  trans-69.9151.8-170.2-58.993.7142.600114R471 I479 R531 V532R471-E534 WeakPolarHBondContact O-CA 3.33Å; I479-E534 HydrophobicContact CD1-CB 4.11Å; I479-E534 PolarHBondContact N-O 2.91Å; I479-E534 VanDerWaalsContact N-O 3.16Å; R531-E534 PolarHBondContact NH1-O 2.74Å; V532-E534 VanDerWaalsContact C-N 3.34Å; V532-E534 WeakPolarHBondContact CB-OE2 3.33Å; V532-E534 PolarHBondContact O-N 2.82Å
535V94.1Very high92.9Very high2 Ų227.5 Ų27.51%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-107.8166.1168.3-59.10000110S470 R471 R473 T477S470-V535 CarbonylContact C-O 3.57Å; R471-V535 HydrophobicContact CB-CG2 4.15Å; R471-V535 PolarHBondContact N-O 3.2Å; R471-V535 PolarHBondContact O-N 3.43Å; R473-V535 HydrophobicContact CB-CG2 3.94Å; T477-V535 CarbonylContact O-C 3.47Å; T477-V535 WeakPolarHBondContact O-CA 3.48Å
536F94.1Very high93.3Very high2 Ų224.1 Ų24.11%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-70.6153.4176.6-78.5-67.5000113V170 F174 V469 T477 I479 F540 E541V170-F536 HydrophobicContact CG1-CD2 4.05Å; V170-F536 HydrophobicContact CG1-CE2 4.09Å; F174-F536 HydrophobicContact CB-CE1 4.26Å; F174-F536 HydrophobicContact CB-CZ 3.66Å; F174-F536 AromaticContact CD1-CZ 3.96Å; F174-F536 HydrophobicContact CD1-CZ 3.96Å; F174-F536 AromaticContact CD2-CE1 3.37Å; F174-F536 HydrophobicContact CD2-CE1 3.37Å; F174-F536 AromaticContact CD2-CZ 3.53Å; F174-F536 HydrophobicContact CD2-CZ 3.53Å; F174-F536 HydrophobicContact CE1-CZ 4.44Å; F174-F536 AromaticContact CE2-CE1 3.7Å; F174-F536 HydrophobicContact CE2-CE1 3.7Å; F174-F536 HydrophobicContact CE2-CZ 4.06Å; F174-F536 AromaticContact CG-CE1 3.83Å; F174-F536 HydrophobicContact CG-CE1 3.83Å; F174-F536 AromaticContact CG-CZ 3.44Å; F174-F536 HydrophobicContact CG-CZ 3.44Å; F174-F536 VanDerWaalsContact CG-CZ 3.44Å; F174-F536 HydrophobicContact CZ-CE1 4.4Å; F174-F536 HydrophobicContact CZ-CZ 4.47Å; V469-F536 CarbonylContact O-C 3.51Å; T477-F536 HydrophobicContact CG2-CD2 3.92Å; T477-F536 HydrophobicContact CG2-CE2 4.35Å; T477-F536 VanDerWaalsContact O-CD2 3.27Å; T477-F536 WeakPolarHBondContact O-CD2 3.46Å; T477-F536 PolarHBondContact O-N 2.76Å; I479-F536 HydrophobicContact CB-CE2 4.49Å; I479-F536 HydrophobicContact CB-CZ 4.36Å; I479-F536 HydrophobicContact CD1-CD1 4.35Å; I479-F536 HydrophobicContact CD1-CE1 4.3Å; I479-F536 HydrophobicContact CG1-CD1 3.93Å; I479-F536 HydrophobicContact CG1-CD2 4.18Å; I479-F536 HydrophobicContact CG1-CE1 3.83Å; I479-F536 HydrophobicContact CG1-CE2 4.11Å; I479-F536 HydrophobicContact CG1-CG 4.09Å; I479-F536 HydrophobicContact CG1-CZ 3.92Å; I479-F536 HydrophobicContact CG2-CZ 4.45Å; F536-F540 HydrophobicContact CD1-CB 4.39Å; F536-F540 AromaticContact CD1-CD1 3.63Å; F536-F540 HydrophobicContact CD1-CD1 3.63Å; F536-F540 HydrophobicContact CD1-CE1 4.06Å; F536-F540 HydrophobicContact CD1-CG 4.02Å; F536-F540 AromaticContact CE1-CD1 3.87Å; F536-F540 HydrophobicContact CE1-CD1 3.87Å; F536-F540 AromaticContact CE1-CE1 3.79Å; F536-F540 HydrophobicContact CE1-CE1 3.79Å; F536-F540 HydrophobicContact CE1-CG 4.44Å; F536-F540 HydrophobicContact CE1-CZ 4.31Å; F536-F540 AromaticContact CG-CD1 3.99Å; F536-F540 HydrophobicContact CG-CD1 3.99Å; F536-F540 HydrophobicContact CZ-CD1 4.41Å; F536-F540 HydrophobicContact CZ-CE1 4.08Å; F536-E541 HydrophobicContact CB-CG 4.5Å
537D87Confident93.6Very high11 Ų1119.4 Ų19.46%0.05911%0.114CC..  trans-59.8127.7157.5-173.822000109.9W467 V469 R471 W539 F540W467-D537 PolarHBondContact NE1-OD2 2.96Å; V469-D537 WeakPolarHBondContact O-CB 3.45Å; V469-D537 PolarHBondContact O-N 2.65Å; R471-D537 HydrophobicContact CG-CB 4.37Å; R471-D537 IonicContact CZ-OD1 3.45Å; R471-D537 IonicContact CZ-OD2 2.73Å; R471-D537 IonicContact NE-OD1 2.8Å; R471-D537 IonicContact NH2-OD1 3.06Å; R471-D537 PolarHBondContact NH2-OD1 2.92Å; R471-D537 VanDerWaalsContact NH2-OD1 3.09Å; R471-D537 IonicContact NH2-OD2 3.25Å; R471-D537 PolarHBondContact NH2-OD2 2.65Å; D537-W539 PolarHBondContact O-N 3.32Å; D537-F540 WeakPolarHBondContact O-CA 3.24Å; D537-F540 WeakPolarHBondContact O-CB 3.33Å; D537-F540 PolarHBondContact O-N 3.14Å
538C86.4Confident93.9Very high11 Ų1116.9 Ų16.97%0.0749%0.089CC..Hα-helixtrans-54.8-29.1177.255.20000113F60 F540 E541 S542F60-C538 HydrophobicContact CE1-CB 4.42Å; C538-F540 PolarHBondContact O-N 3.45Å; C538-E541 WeakPolarHBondContact O-CB 3.48Å; C538-E541 PolarHBondContact O-N 2.88Å; C538-E541 VanDerWaalsContact O-N 3.16Å; C538-S542 PolarHBondContact O-N 2.9Å; C538-S542 PolarHBondContact O-OG 3.44Å; C538-S542 VanDerWaalsContact O-OG 3.1Å
539W86.9Confident93.9Very high75 Ų7514.6 Ų14.628%0.2847%0.074SC..Hα-helixtrans-65.9-24174.4-63.6111.8000114.2W467 D537 S542 G543 W579 T582W467-W539 HydrophobicContact CZ2-CB 4.04Å; D537-W539 PolarHBondContact O-N 3.32Å; W539-S542 WeakPolarHBondContact CA-OG 3.39Å; W539-S542 PolarHBondContact O-OG 3.32Å; W539-G543 PolarHBondContact O-N 3.18Å; W539-W579 HydrophobicContact CZ3-CB 4.13Å; W539-W579 VanDerWaalsContact CZ3-N 3.31Å; W539-T582 HydrophobicContact CB-CG2 3.78Å; W539-T582 VanDerWaalsContact O-CB 3.29Å; W539-T582 WeakPolarHBondContact O-CB 3.37Å; W539-T582 PolarHBondContact O-OG1 2.8Å; W539-T582 VanDerWaalsContact O-OG1 3.07Å
540F94.4Very high93.7Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-72.1-39.2172.6-170.8-94.1000111.3V170 V173 F174 L177 I429 W467 V469 F536 D537 C538 S544 L586V170-F540 HydrophobicContact CG1-CD1 3.74Å; V170-F540 HydrophobicContact CG1-CE1 3.69Å; V173-F540 HydrophobicContact CG1-CE1 4.32Å; V173-F540 HydrophobicContact CG1-CE2 4.47Å; V173-F540 HydrophobicContact CG1-CZ 3.78Å; F174-F540 HydrophobicContact CB-CE1 4.09Å; F174-F540 HydrophobicContact CB-CZ 3.95Å; F174-F540 HydrophobicContact CD2-CE1 4.46Å; F174-F540 HydrophobicContact CD2-CZ 4Å; F174-F540 HydrophobicContact CG-CZ 4.49Å; L177-F540 HydrophobicContact CD1-CE2 3.89Å; L177-F540 HydrophobicContact CD1-CZ 4.13Å; I429-F540 HydrophobicContact CD1-CD2 3.72Å; I429-F540 HydrophobicContact CD1-CE2 3.35Å; I429-F540 HydrophobicContact CD1-CZ 4.46Å; W467-F540 HydrophobicContact CH2-CB 3.87Å; W467-F540 AromaticContact CH2-CD2 3.73Å; W467-F540 HydrophobicContact CH2-CD2 3.73Å; W467-F540 HydrophobicContact CH2-CG 4.27Å; W467-F540 HydrophobicContact CZ2-CB 3.89Å; W467-F540 HydrophobicContact CZ2-CD2 4.3Å; W467-F540 AromaticContact CZ3-CD2 3.92Å; W467-F540 HydrophobicContact CZ3-CD2 3.92Å; V469-F540 HydrophobicContact CG1-CD2 3.93Å; F536-F540 HydrophobicContact CD1-CB 4.39Å; F536-F540 AromaticContact CD1-CD1 3.63Å; F536-F540 HydrophobicContact CD1-CD1 3.63Å; F536-F540 HydrophobicContact CD1-CE1 4.06Å; F536-F540 HydrophobicContact CD1-CG 4.02Å; F536-F540 AromaticContact CE1-CD1 3.87Å; F536-F540 HydrophobicContact CE1-CD1 3.87Å; F536-F540 AromaticContact CE1-CE1 3.79Å; F536-F540 HydrophobicContact CE1-CE1 3.79Å; F536-F540 HydrophobicContact CE1-CG 4.44Å; F536-F540 HydrophobicContact CE1-CZ 4.31Å; F536-F540 AromaticContact CG-CD1 3.99Å; F536-F540 HydrophobicContact CG-CD1 3.99Å; F536-F540 HydrophobicContact CZ-CD1 4.41Å; F536-F540 HydrophobicContact CZ-CE1 4.08Å; D537-F540 WeakPolarHBondContact O-CA 3.24Å; D537-F540 WeakPolarHBondContact O-CB 3.33Å; D537-F540 PolarHBondContact O-N 3.14Å; C538-F540 PolarHBondContact O-N 3.45Å; F540-S544 WeakPolarHBondContact O-CB 3.38Å; F540-S544 PolarHBondContact O-N 3.12Å; F540-S544 PolarHBondContact O-OG 3.31Å; F540-L586 HydrophobicContact CD2-CD1 4.43Å; F540-L586 HydrophobicContact CD2-CD2 4.02Å; F540-L586 HydrophobicContact CE2-CD2 3.52Å; F540-L586 HydrophobicContact CZ-CD2 4.25Å
541E94.8Very high93.7Very high0 Ų012.8 Ų12.80%07%0.066CC..Hα-helixtrans-68.7-51.1176.6-54179.9177.900111.2H99 T161 F166 T477 F536 C538 G543 S544 M545H99-E541 VanDerWaalsContact CB-OE2 3.28Å; H99-E541 WeakPolarHBondContact CB-OE2 3.24Å; H99-E541 IonicContact CE1-OE1 3.23Å; H99-E541 IonicContact CE1-OE2 2.76Å; H99-E541 IonicContact CG-OE1 2.82Å; H99-E541 IonicContact CG-OE2 2.75Å; H99-E541 IonicContact ND1-OE1 2.7Å; H99-E541 PolarHBondContact ND1-OE1 3.13Å; H99-E541 IonicContact ND1-OE2 3.88Å; H99-E541 PolarHBondContact ND1-OE2 2.85Å; T161-E541 VanDerWaalsContact CB-OE2 3.25Å; T161-E541 WeakPolarHBondContact CB-OE2 3.04Å; T161-E541 HydrophobicContact CG2-CB 4.02Å; T161-E541 PolarHBondContact OG1-OE2 3.43Å; F166-E541 HydrophobicContact CE1-CB 4.43Å; T477-E541 WeakPolarHBondContact CB-OE1 3.14Å; T477-E541 PolarHBondContact N-OE1 2.96Å; T477-E541 PolarHBondContact OG1-OE1 3.5Å; F536-E541 HydrophobicContact CB-CG 4.5Å; C538-E541 WeakPolarHBondContact O-CB 3.48Å; C538-E541 PolarHBondContact O-N 2.88Å; C538-E541 VanDerWaalsContact O-N 3.16Å; E541-G543 VanDerWaalsContact C-N 3.3Å; E541-G543 PolarHBondContact O-N 3.48Å; E541-S544 CarbonylContact O-C 3.51Å; E541-S544 WeakPolarHBondContact O-CA 3.3Å; E541-S544 WeakPolarHBondContact O-CB 3.38Å; E541-S544 PolarHBondContact O-N 3.45Å; E541-M545 PolarHBondContact O-N 3.34Å
542S91.5Very high93.8Very high2 Ų213.2 Ų13.21%0.0147%0.068CC..Hα-helixtrans-64.5-34.3177.753.80000112.3C538 W539 S544 M545 W579C538-S542 PolarHBondContact O-N 2.9Å; C538-S542 PolarHBondContact O-OG 3.44Å; C538-S542 VanDerWaalsContact O-OG 3.1Å; W539-S542 WeakPolarHBondContact CA-OG 3.39Å; W539-S542 PolarHBondContact O-OG 3.32Å; S542-S544 VanDerWaalsContact C-N 3.26Å; S542-S544 PolarHBondContact O-N 3.42Å; S542-M545 WeakPolarHBondContact O-CB 3.5Å; S542-M545 PolarHBondContact O-N 3.34Å; S542-W579 PolarHBondContact O-NE1 3.45Å
543G94.7Very high93.8Very high0 Ų014.7 Ų14.70%08%0.077CC..Hα-helixtrans-68.1-23.617100000113.8W539 E541 M545 P546 T582 L586W539-G543 PolarHBondContact O-N 3.18Å; E541-G543 VanDerWaalsContact C-N 3.3Å; E541-G543 PolarHBondContact O-N 3.48Å; G543-M545 VanDerWaalsContact C-N 3.32Å; G543-P546 WeakPolarHBondContact O-CD 3.15Å; G543-T582 WeakPolarHBondContact CA-OG1 3.44Å; G543-L586 WeakPolarHBondContact O-CD1 3.4Å
544S97.4Very high94.1Very high0 Ų015.1 Ų15.10%07%0.071CC..Hα-helixtrans-84.7-6.5176-610000113.3F540 E541 S542 P546 Y547 A548F540-S544 WeakPolarHBondContact O-CB 3.38Å; F540-S544 PolarHBondContact O-N 3.12Å; F540-S544 PolarHBondContact O-OG 3.31Å; E541-S544 CarbonylContact O-C 3.51Å; E541-S544 WeakPolarHBondContact O-CA 3.3Å; E541-S544 WeakPolarHBondContact O-CB 3.38Å; E541-S544 PolarHBondContact O-N 3.45Å; S542-S544 VanDerWaalsContact C-N 3.26Å; S542-S544 PolarHBondContact O-N 3.42Å; S544-P546 VanDerWaalsContact C-N 3.35Å; S544-Y547 WeakPolarHBondContact O-CD2 3.23Å; S544-Y547 PolarHBondContact O-N 3.15Å; S544-Y547 VanDerWaalsContact O-N 3.15Å; S544-A548 VanDerWaalsContact O-CB 3.28Å; S544-A548 WeakPolarHBondContact O-CB 3.47Å; S544-A548 PolarHBondContact O-N 3.1Å
545M96.9Very high94.2Very high1 Ų119.7 Ų19.71%0.0059%0.092CC..Hα-helixtrans-47.4-42.7-179176.2-81.7-179.900115.1Y55 Y159 F166 E541 S542 G543 Y547 A548 Q549Y55-M545 HydrophobicContact CD1-CE 4.03Å; Y55-M545 HydrophobicContact CD1-SD 4.16Å; Y55-M545 HydrophobicContact CD2-SD 4.48Å; Y55-M545 HydrophobicContact CG-CE 4.18Å; Y55-M545 HydrophobicContact CG-SD 3.98Å; Y159-M545 HydrophobicContact CD1-CE 4.36Å; Y159-M545 HydrophobicContact CD2-CG 4.31Å; Y159-M545 HydrophobicContact CE1-CE 3.38Å; Y159-M545 HydrophobicContact CE1-CG 4.33Å; Y159-M545 HydrophobicContact CE2-CB 4.41Å; Y159-M545 HydrophobicContact CE2-CE 4.24Å; Y159-M545 HydrophobicContact CE2-CG 3.42Å; Y159-M545 VanDerWaalsContact CE2-CG 3.42Å; Y159-M545 VanDerWaalsContact CZ-CG 3.43Å; Y159-M545 WeakPolarHBondContact OH-CE 3.23Å; Y159-M545 WeakPolarHBondContact OH-CG 3.3Å; F166-M545 HydrophobicContact CZ-CB 4.22Å; E541-M545 PolarHBondContact O-N 3.34Å; S542-M545 WeakPolarHBondContact O-CB 3.5Å; S542-M545 PolarHBondContact O-N 3.34Å; G543-M545 VanDerWaalsContact C-N 3.32Å; M545-Y547 PolarHBondContact O-N 3.07Å; M545-Y547 VanDerWaalsContact O-N 3.1Å; M545-A548 PolarHBondContact O-N 2.8Å; M545-Q549 HydrophobicContact CE-CB 4.38Å; M545-Q549 HydrophobicContact CE-CG 4.31Å; M545-Q549 HydrophobicContact CG-CB 4.49Å; M545-Q549 VanDerWaalsContact O-CB 3.3Å; M545-Q549 WeakPolarHBondContact O-CB 3.42Å; M545-Q549 VanDerWaalsContact O-CG 3.23Å; M545-Q549 WeakPolarHBondContact O-CG 3.42Å; M545-Q549 PolarHBondContact O-N 3.05Å; M545-Q549 PolarHBondContact SD-NE2 2.9Å; M545-Q549 VanDerWaalsContact SD-NE2 3.38Å
546P96.1Very high94.2Very high0 Ų023.2 Ų23.20%011%0.111CC..Hα-helixtrans-53.8-36.2-178.6-30.938.4000114.1Y55 G543 S544 F564 L583Y55-P546 HydrophobicContact CD2-CB 4.33Å; Y55-P546 HydrophobicContact CD2-CG 4.01Å; Y55-P546 HydrophobicContact CE2-CB 3.52Å; Y55-P546 HydrophobicContact CE2-CG 3.62Å; G543-P546 WeakPolarHBondContact O-CD 3.15Å; S544-P546 VanDerWaalsContact C-N 3.35Å; P546-F564 HydrophobicContact CB-CE2 4.3Å; P546-L583 HydrophobicContact CG-CD2 3.33Å
547Y96Very high94.2Very high0 Ų025.5 Ų25.50%013%0.125CC..Hα-helixtrans-95.2-45.5-177.8-19.4-71.9000110V173 S544 M545 Q549 I550 Y552 F560 F564 L586 S587 L590 F591V173-Y547 HydrophobicContact CG2-CD2 3.67Å; V173-Y547 HydrophobicContact CG2-CE2 4.24Å; V173-Y547 HydrophobicContact CG2-CG 4.43Å; S544-Y547 WeakPolarHBondContact O-CD2 3.23Å; S544-Y547 PolarHBondContact O-N 3.15Å; S544-Y547 VanDerWaalsContact O-N 3.15Å; M545-Y547 PolarHBondContact O-N 3.07Å; M545-Y547 VanDerWaalsContact O-N 3.1Å; Y547-Q549 PolarHBondContact O-N 2.99Å; Y547-I550 VanDerWaalsContact O-CG1 3.26Å; Y547-I550 WeakPolarHBondContact O-CG1 3.38Å; Y547-I550 PolarHBondContact O-N 3.11Å; Y547-Y552 WeakPolarHBondContact O-CB 3.31Å; Y547-Y552 PolarHBondContact O-N 2.95Å; Y547-F560 AromaticContact CD1-CE2 3.57Å; Y547-F560 HydrophobicContact CD1-CE2 3.57Å; Y547-F560 AromaticContact CD1-CZ 3.78Å; Y547-F560 HydrophobicContact CD1-CZ 3.78Å; Y547-F560 HydrophobicContact CE1-CE2 4.12Å; Y547-F560 HydrophobicContact CE1-CZ 4.15Å; Y547-F564 HydrophobicContact CE1-CE2 4.21Å; Y547-F564 HydrophobicContact CE1-CZ 4.1Å; Y547-L586 HydrophobicContact CE2-CB 4.4Å; Y547-S587 WeakPolarHBondContact OH-CA 3.27Å; Y547-S587 PolarHBondContact OH-N 3.31Å; Y547-L590 HydrophobicContact CD2-CD1 4.24Å; Y547-L590 HydrophobicContact CE1-CD1 4.32Å; Y547-L590 HydrophobicContact CE2-CD1 3.77Å; Y547-F591 AromaticContact CD1-CE2 3.73Å; Y547-F591 HydrophobicContact CD1-CE2 3.73Å; Y547-F591 HydrophobicContact CD1-CZ 4.41Å; Y547-F591 HydrophobicContact CE1-CD2 4.06Å; Y547-F591 AromaticContact CE1-CE2 3.48Å; Y547-F591 HydrophobicContact CE1-CE2 3.48Å; Y547-F591 VanDerWaalsContact CE1-CE2 3.48Å
548A97.1Very high94.4Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-70.8-32.3-171.400000113.5W165 F166 S169 V170 S544 M545 I550 H551W165-A548 WeakPolarHBondContact CZ3-O 3.5Å; F166-A548 HydrophobicContact CD1-CB 3.68Å; F166-A548 HydrophobicContact CD2-CB 3.6Å; F166-A548 HydrophobicContact CE1-CB 3.58Å; F166-A548 HydrophobicContact CE2-CB 3.51Å; F166-A548 HydrophobicContact CG-CB 3.69Å; F166-A548 HydrophobicContact CZ-CB 3.5Å; S169-A548 VanDerWaalsContact CB-CA 3.46Å; V170-A548 HydrophobicContact CG2-CB 4.4Å; S544-A548 VanDerWaalsContact O-CB 3.28Å; S544-A548 WeakPolarHBondContact O-CB 3.47Å; S544-A548 PolarHBondContact O-N 3.1Å; M545-A548 PolarHBondContact O-N 2.8Å; A548-I550 PolarHBondContact O-N 3.25Å; A548-I550 VanDerWaalsContact O-N 3.1Å; A548-H551 PolarHBondContact O-N 2.89Å; A548-H551 VanDerWaalsContact O-N 3.14Å
549Q94.9Very high94.6Very high18 Ų1831.8 Ų31.88%0.08416%0.16CC..THydrogen-bonded Turntrans-61.4-21.8179.774.9179-55.800113.7Y55 R93 Y159 W165 F166 M545 Y547Y55-Q549 VanDerWaalsContact CD1-NE2 3.3Å; R93-Q549 PolarHBondContact NH1-O 3.33Å; R93-Q549 PolarHBondContact NH2-O 2.92Å; Y159-Q549 HydrophobicContact CD1-CB 3.83Å; Y159-Q549 HydrophobicContact CD2-CB 4.22Å; Y159-Q549 HydrophobicContact CE1-CB 4.34Å; Y159-Q549 HydrophobicContact CG-CB 3.76Å; W165-Q549 WeakPolarHBondContact CZ3-O 3.44Å; F166-Q549 HydrophobicContact CE2-CB 4.48Å; M545-Q549 HydrophobicContact CE-CB 4.38Å; M545-Q549 HydrophobicContact CE-CG 4.31Å; M545-Q549 HydrophobicContact CG-CB 4.49Å; M545-Q549 VanDerWaalsContact O-CB 3.3Å; M545-Q549 WeakPolarHBondContact O-CB 3.42Å; M545-Q549 VanDerWaalsContact O-CG 3.23Å; M545-Q549 WeakPolarHBondContact O-CG 3.42Å; M545-Q549 PolarHBondContact O-N 3.05Å; M545-Q549 PolarHBondContact SD-NE2 2.9Å; M545-Q549 VanDerWaalsContact SD-NE2 3.38Å; Y547-Q549 PolarHBondContact O-N 2.99Å
550I94.4Very high94.8Very high22 Ų2228.7 Ų28.711%0.11315%0.148CC..THydrogen-bonded Turntrans-114.912.4-178.550170.3000112.4Y547 A548 Y552 N556 F560Y547-I550 VanDerWaalsContact O-CG1 3.26Å; Y547-I550 WeakPolarHBondContact O-CG1 3.38Å; Y547-I550 PolarHBondContact O-N 3.11Å; A548-I550 PolarHBondContact O-N 3.25Å; A548-I550 VanDerWaalsContact O-N 3.1Å; I550-Y552 PolarHBondContact O-N 3.32Å; I550-N556 HydrophobicContact CB-CB 3.98Å; I550-N556 WeakPolarHBondContact O-CB 3.44Å; I550-N556 PolarHBondContact O-ND2 3.22Å; I550-F560 HydrophobicContact CD1-CB 3.58Å; I550-F560 HydrophobicContact CD1-CD2 4.11Å; I550-F560 HydrophobicContact CD1-CG 4.29Å
551H96.6Very high94.7Very high20 Ų2035 Ų359%0.09318%0.178CC..THydrogen-bonded Turntrans60.330.1-179-160.3-163.7000114.1W165 E168 S169 A548 F554 E555W165-H551 HydrophobicContact CB-CB 4.26Å; W165-H551 HydrophobicContact CE3-CB 4.45Å; W165-H551 PolarHBondContact O-CD2 2.94Å; E168-H551 IonicContact OE2-CE1 3.15Å; E168-H551 IonicContact OE2-NE2 2.8Å; E168-H551 PolarHBondContact OE2-NE2 3.02Å; S169-H551 WeakPolarHBondContact OG-CA 2.99Å; A548-H551 PolarHBondContact O-N 2.89Å; A548-H551 VanDerWaalsContact O-N 3.14Å; H551-F554 AromaticContact CD2-CD2 3.5Å; H551-F554 AromaticContact NE2-CD2 3.5Å; H551-F554 AromaticContact NE2-CG 3.96Å; H551-F554 WeakPolarHBondContact O-CB 2.98Å; H551-F554 PolarHBondContact O-N 3.48Å; H551-E555 HydrophobicContact CB-CB 4.28Å; H551-E555 IonicContact CE1-OE1 2.84Å; H551-E555 IonicContact CG-OE1 3.52Å; H551-E555 IonicContact ND1-OE1 2.65Å; H551-E555 PolarHBondContact ND1-OE1 3.41Å; H551-E555 PolarHBondContact O-N 3Å
552Y97.2Very high94.4Very high29 Ų2942 Ų4211%0.11421%0.21CC..THydrogen-bonded Turntrans-70.1137177.3177.5-85.1000110.6S169 W172 Y547 I550 T557 F560 F591S169-Y552 WeakPolarHBondContact CB-O 3.45Å; S169-Y552 PolarHBondContact OG-O 3.48Å; W172-Y552 HydrophobicContact CE3-CD1 4.31Å; W172-Y552 HydrophobicContact CE3-CE1 4.42Å; W172-Y552 HydrophobicContact CH2-CD1 4.09Å; W172-Y552 AromaticContact CH2-CE1 3.43Å; W172-Y552 HydrophobicContact CH2-CE1 3.43Å; W172-Y552 VanDerWaalsContact CH2-CE1 3.43Å; W172-Y552 AromaticContact CZ2-CE1 3.85Å; W172-Y552 HydrophobicContact CZ2-CE1 3.85Å; W172-Y552 AromaticContact CZ3-CD1 3.89Å; W172-Y552 HydrophobicContact CZ3-CD1 3.89Å; W172-Y552 AromaticContact CZ3-CE1 3.72Å; W172-Y552 HydrophobicContact CZ3-CE1 3.72Å; Y547-Y552 WeakPolarHBondContact O-CB 3.31Å; Y547-Y552 PolarHBondContact O-N 2.95Å; I550-Y552 PolarHBondContact O-N 3.32Å; Y552-T557 HydrophobicContact CD2-CG2 4.37Å; Y552-T557 HydrophobicContact CE2-CG2 3.83Å; Y552-F560 HydrophobicContact CD2-CB 3.7Å; Y552-F560 AromaticContact CD2-CD1 3.68Å; Y552-F560 HydrophobicContact CD2-CD1 3.68Å; Y552-F560 AromaticContact CD2-CG 3.73Å; Y552-F560 HydrophobicContact CD2-CG 3.73Å; Y552-F560 HydrophobicContact CE1-CD1 4.42Å; Y552-F560 HydrophobicContact CE1-CE1 4.36Å; Y552-F560 HydrophobicContact CE2-CB 4.15Å; Y552-F560 AromaticContact CE2-CD1 3.37Å; Y552-F560 HydrophobicContact CE2-CD1 3.37Å; Y552-F560 HydrophobicContact CE2-CE1 4.04Å; Y552-F560 AromaticContact CE2-CG 3.94Å; Y552-F560 HydrophobicContact CE2-CG 3.94Å; Y552-F560 HydrophobicContact CG-CB 4.44Å; Y552-F560 HydrophobicContact CG-CD1 4.32Å; Y552-F560 HydrophobicContact CG-CG 4.23Å; Y552-F560 AromaticContact CZ-CD1 3.8Å; Y552-F560 AromaticContact CZ-CE1 3.97Å; Y552-F591 AromaticContact CE1-CZ 3.91Å; Y552-F591 HydrophobicContact CE1-CZ 3.91Å
553P96.6Very high94.3Very high37 Ų3742.1 Ų42.124%0.2421%0.212CC..THydrogen-bonded Turncis-96.22.99.339.9-41.1000114.7W172 E555W172-P553 VanDerWaalsContact CD2-CD 3.42Å; W172-P553 HydrophobicContact CD2-CG 3.9Å; W172-P553 HydrophobicContact CG-CG 3.82Å; W172-P553 HydrophobicContact CZ2-CG 4.44Å; P553-E555 VanDerWaalsContact C-N 3.35Å
554F96.7Very high94.3Very high77 Ų7742.9 Ų42.934%0.33822%0.215SC..THydrogen-bonded Turntrans-67.4-38-173-50.6-74.3000111.9E168 W172 H551E168-F554 HydrophobicContact CB-CE2 4.25Å; E168-F554 HydrophobicContact CG-CD2 4.31Å; E168-F554 HydrophobicContact CG-CE2 3.6Å; E168-F554 HydrophobicContact CG-CZ 3.72Å; W172-F554 HydrophobicContact CB-CE2 4.2Å; W172-F554 HydrophobicContact CB-CZ 4.09Å; H551-F554 AromaticContact CD2-CD2 3.5Å; H551-F554 AromaticContact NE2-CD2 3.5Å; H551-F554 AromaticContact NE2-CG 3.96Å; H551-F554 WeakPolarHBondContact O-CB 2.98Å; H551-F554 PolarHBondContact O-N 3.48Å
555E95.6Very high94.2Very high106 Ų10643.7 Ų43.750%0.49522%0.221SC..SBendtrans-134.2168.3177.2-61.1174.6-129.600111H551 P553 T557H551-E555 HydrophobicContact CB-CB 4.28Å; H551-E555 IonicContact CE1-OE1 2.84Å; H551-E555 IonicContact CG-OE1 3.52Å; H551-E555 IonicContact ND1-OE1 2.65Å; H551-E555 PolarHBondContact ND1-OE1 3.41Å; H551-E555 PolarHBondContact O-N 3Å; P553-E555 VanDerWaalsContact C-N 3.35Å; E555-T557 PolarHBondContact O-N 2.89Å
556N93.2Very high94.2Very high76 Ų7643.7 Ų43.741%0.40622%0.22SC..  trans55.928.5170.4-55.7-61.5000115.7I550 N558 V559 F560I550-N556 HydrophobicContact CB-CB 3.98Å; I550-N556 WeakPolarHBondContact O-CB 3.44Å; I550-N556 PolarHBondContact O-ND2 3.22Å; N556-N558 VanDerWaalsContact C-N 3.31Å; N556-N558 PolarHBondContact O-N 2.84Å; N556-V559 HydrophobicContact CB-CB 4.19Å; N556-V559 HydrophobicContact CB-CG2 4.26Å; N556-V559 WeakPolarHBondContact O-CB 3.48Å; N556-V559 PolarHBondContact O-N 2.86Å; N556-V559 VanDerWaalsContact O-N 3.08Å; N556-F560 PolarHBondContact O-N 3.27Å
557T93.9Very high94.3Very high51 Ų5144.7 Ų44.731%0.31323%0.226SC..Hα-helixtrans-55.6-42.5179.9-39.40000112.7Y552 E555 F560 Q561Y552-T557 HydrophobicContact CD2-CG2 4.37Å; Y552-T557 HydrophobicContact CE2-CG2 3.83Å; E555-T557 PolarHBondContact O-N 2.89Å; T557-F560 WeakPolarHBondContact O-CB 3.32Å; T557-F560 PolarHBondContact O-N 3.36Å; T557-Q561 WeakPolarHBondContact O-CG 3.47Å; T557-Q561 PolarHBondContact O-N 3.4Å
558N91.7Very high94.4Very high114 Ų11444.7 Ų44.761%0.6123%0.226SC*.Hα-helixtrans-65.5-40.3178.2-63.8-15.5000111.5N556 F560 Q561 E562N556-N558 VanDerWaalsContact C-N 3.31Å; N556-N558 PolarHBondContact O-N 2.84Å; N558-F560 VanDerWaalsContact C-N 3.31Å; N558-F560 PolarHBondContact O-N 3.29Å; N558-Q561 PolarHBondContact O-N 2.97Å; N558-E562 WeakPolarHBondContact O-CG 3.45Å; N558-E562 PolarHBondContact O-N 2.85Å
559V89.5Confident94.4Very high40 Ų4044.7 Ų44.724%0.24223%0.226CC..Hα-helixtrans-63.4-40.4177.7-177.30000110.6N556 G563N556-V559 HydrophobicContact CB-CB 4.19Å; N556-V559 HydrophobicContact CB-CG2 4.26Å; N556-V559 WeakPolarHBondContact O-CB 3.48Å; N556-V559 PolarHBondContact O-N 2.86Å; N556-V559 VanDerWaalsContact O-N 3.08Å; V559-G563 PolarHBondContact O-N 3.39Å
560F92.6Very high94.5Very high10 Ų1043.8 Ų43.84%0.04422%0.222CC..Hα-helixtrans-60.9-50.5173.4179-111.1000111.7Y547 I550 Y552 N556 T557 N558 E562 G563 F564 F591Y547-F560 AromaticContact CD1-CE2 3.57Å; Y547-F560 HydrophobicContact CD1-CE2 3.57Å; Y547-F560 AromaticContact CD1-CZ 3.78Å; Y547-F560 HydrophobicContact CD1-CZ 3.78Å; Y547-F560 HydrophobicContact CE1-CE2 4.12Å; Y547-F560 HydrophobicContact CE1-CZ 4.15Å; I550-F560 HydrophobicContact CD1-CB 3.58Å; I550-F560 HydrophobicContact CD1-CD2 4.11Å; I550-F560 HydrophobicContact CD1-CG 4.29Å; Y552-F560 HydrophobicContact CD2-CB 3.7Å; Y552-F560 AromaticContact CD2-CD1 3.68Å; Y552-F560 HydrophobicContact CD2-CD1 3.68Å; Y552-F560 AromaticContact CD2-CG 3.73Å; Y552-F560 HydrophobicContact CD2-CG 3.73Å; Y552-F560 HydrophobicContact CE1-CD1 4.42Å; Y552-F560 HydrophobicContact CE1-CE1 4.36Å; Y552-F560 HydrophobicContact CE2-CB 4.15Å; Y552-F560 AromaticContact CE2-CD1 3.37Å; Y552-F560 HydrophobicContact CE2-CD1 3.37Å; Y552-F560 HydrophobicContact CE2-CE1 4.04Å; Y552-F560 AromaticContact CE2-CG 3.94Å; Y552-F560 HydrophobicContact CE2-CG 3.94Å; Y552-F560 HydrophobicContact CG-CB 4.44Å; Y552-F560 HydrophobicContact CG-CD1 4.32Å; Y552-F560 HydrophobicContact CG-CG 4.23Å; Y552-F560 AromaticContact CZ-CD1 3.8Å; Y552-F560 AromaticContact CZ-CE1 3.97Å; N556-F560 PolarHBondContact O-N 3.27Å; T557-F560 WeakPolarHBondContact O-CB 3.32Å; T557-F560 PolarHBondContact O-N 3.36Å; N558-F560 VanDerWaalsContact C-N 3.31Å; N558-F560 PolarHBondContact O-N 3.29Å; F560-E562 VanDerWaalsContact C-N 3.34Å; F560-E562 PolarHBondContact O-N 3.49Å; F560-G563 PolarHBondContact O-N 2.8Å; F560-G563 VanDerWaalsContact O-N 3.16Å; F560-F564 HydrophobicContact CD2-CB 3.97Å; F560-F564 HydrophobicContact CD2-CG 4.38Å; F560-F564 HydrophobicContact CE1-CB 4.44Å; F560-F564 HydrophobicContact CE1-CD1 4.21Å; F560-F564 HydrophobicContact CE1-CG 4.48Å; F560-F564 HydrophobicContact CE2-CB 3.58Å; F560-F564 AromaticContact CE2-CD1 3.91Å; F560-F564 HydrophobicContact CE2-CD1 3.91Å; F560-F564 AromaticContact CE2-CD2 3.78Å; F560-F564 HydrophobicContact CE2-CD2 3.78Å; F560-F564 HydrophobicContact CE2-CE1 4.48Å; F560-F564 HydrophobicContact CE2-CE2 4.36Å; F560-F564 AromaticContact CE2-CG 3.5Å; F560-F564 HydrophobicContact CE2-CG 3.5Å; F560-F564 HydrophobicContact CZ-CB 3.85Å; F560-F564 AromaticContact CZ-CD1 3.45Å; F560-F564 HydrophobicContact CZ-CD1 3.45Å; F560-F564 VanDerWaalsContact CZ-CD1 3.45Å; F560-F564 HydrophobicContact CZ-CD2 4.16Å; F560-F564 AromaticContact CZ-CE1 3.91Å; F560-F564 HydrophobicContact CZ-CE1 3.91Å; F560-F564 AromaticContact CZ-CG 3.57Å; F560-F564 HydrophobicContact CZ-CG 3.57Å; F560-F564 HydrophobicContact CZ-CZ 4.41Å; F560-F564 WeakPolarHBondContact O-CB 3.48Å; F560-F564 PolarHBondContact O-N 3.1Å; F560-F591 AromaticContact CE1-CE1 3.96Å; F560-F591 HydrophobicContact CE1-CE1 3.96Å; F560-F591 HydrophobicContact CE1-CE2 4.13Å; F560-F591 AromaticContact CE1-CZ 3.67Å; F560-F591 HydrophobicContact CE1-CZ 3.67Å; F560-F591 HydrophobicContact CZ-CD2 4.24Å; F560-F591 HydrophobicContact CZ-CE1 4.32Å; F560-F591 AromaticContact CZ-CE2 3.66Å; F560-F591 HydrophobicContact CZ-CE2 3.66Å; F560-F591 AromaticContact CZ-CZ 3.69Å; F560-F591 HydrophobicContact CZ-CZ 3.69Å
561Q90.8Very high94.5Very high132 Ų13244 Ų4462%0.61722%0.222SC*.Hα-helixtrans-63.5-37.6-176.7-72.5176.2-1.200112.9T557 N558T557-Q561 WeakPolarHBondContact O-CG 3.47Å; T557-Q561 PolarHBondContact O-N 3.4Å; N558-Q561 PolarHBondContact O-N 2.97Å
562E88.6Confident94.2Very high147 Ų14743.2 Ų43.269%0.68722%0.22SC*.Hα-helixtrans-73.3-30.4175.8-71.3176.1-17100112.7N558 F560N558-E562 WeakPolarHBondContact O-CG 3.45Å; N558-E562 PolarHBondContact O-N 2.85Å; F560-E562 VanDerWaalsContact C-N 3.34Å; F560-E562 PolarHBondContact O-N 3.49Å
563G89.2Confident94Very high5 Ų542.7 Ų42.75%0.05222%0.219CC..Hα-helixtrans-97.8-17-170.500000115.8T53 V559 F560 P565T53-G563 VanDerWaalsContact CB-O 3.23Å; T53-G563 WeakPolarHBondContact CB-O 3.28Å; T53-G563 WeakPolarHBondContact CG2-O 3.06Å; T53-G563 WeakPolarHBondContact OG1-CA 3.32Å; T53-G563 PolarHBondContact OG1-O 3.47Å; V559-G563 PolarHBondContact O-N 3.39Å; F560-G563 PolarHBondContact O-N 2.8Å; F560-G563 VanDerWaalsContact O-N 3.16Å; G563-P565 CarbonylContact O-C 3.59Å; G563-P565 VanDerWaalsContact O-C 3.29Å; G563-P565 VanDerWaalsContact O-O 3.12Å
564F94.8Very high93.3Very high15 Ų1545.3 Ų45.37%0.06623%0.23CC..  trans-104.1131.1-175.2-170.8-110.5000111.7P546 Y547 F560 S587 F591 Q593 P595P546-F564 HydrophobicContact CB-CE2 4.3Å; Y547-F564 HydrophobicContact CE1-CE2 4.21Å; Y547-F564 HydrophobicContact CE1-CZ 4.1Å; F560-F564 HydrophobicContact CD2-CB 3.97Å; F560-F564 HydrophobicContact CD2-CG 4.38Å; F560-F564 HydrophobicContact CE1-CB 4.44Å; F560-F564 HydrophobicContact CE1-CD1 4.21Å; F560-F564 HydrophobicContact CE1-CG 4.48Å; F560-F564 HydrophobicContact CE2-CB 3.58Å; F560-F564 AromaticContact CE2-CD1 3.91Å; F560-F564 HydrophobicContact CE2-CD1 3.91Å; F560-F564 AromaticContact CE2-CD2 3.78Å; F560-F564 HydrophobicContact CE2-CD2 3.78Å; F560-F564 HydrophobicContact CE2-CE1 4.48Å; F560-F564 HydrophobicContact CE2-CE2 4.36Å; F560-F564 AromaticContact CE2-CG 3.5Å; F560-F564 HydrophobicContact CE2-CG 3.5Å; F560-F564 HydrophobicContact CZ-CB 3.85Å; F560-F564 AromaticContact CZ-CD1 3.45Å; F560-F564 HydrophobicContact CZ-CD1 3.45Å; F560-F564 VanDerWaalsContact CZ-CD1 3.45Å; F560-F564 HydrophobicContact CZ-CD2 4.16Å; F560-F564 AromaticContact CZ-CE1 3.91Å; F560-F564 HydrophobicContact CZ-CE1 3.91Å; F560-F564 AromaticContact CZ-CG 3.57Å; F560-F564 HydrophobicContact CZ-CG 3.57Å; F560-F564 HydrophobicContact CZ-CZ 4.41Å; F560-F564 WeakPolarHBondContact O-CB 3.48Å; F560-F564 PolarHBondContact O-N 3.1Å; F564-S587 WeakPolarHBondContact CZ-OG 3.39Å; F564-F591 HydrophobicContact CE1-CB 4.21Å; F564-F591 AromaticContact CE1-CD2 3.78Å; F564-F591 HydrophobicContact CE1-CD2 3.78Å; F564-F591 HydrophobicContact CE1-CE2 4.49Å; F564-F591 HydrophobicContact CE1-CG 4.15Å; F564-F591 HydrophobicContact CZ-CD2 4.18Å; F564-Q593 HydrophobicContact CD1-CG 4.36Å; F564-Q593 HydrophobicContact CE1-CG 3.69Å; F564-Q593 HydrophobicContact CZ-CG 4.47Å; F564-P595 HydrophobicContact CE2-CB 4.37Å
565P96.1Very high93Very high18 Ų1843 Ų4312%0.11722%0.221CC..SBendcis-71.4151.30.530.8-37.4000113.4G563 P594 R597G563-P565 CarbonylContact O-C 3.59Å; G563-P565 VanDerWaalsContact O-C 3.29Å; G563-P565 VanDerWaalsContact O-O 3.12Å; P565-P594 VanDerWaalsContact CB-O 3.28Å; P565-P594 WeakPolarHBondContact CB-O 3.4Å; P565-R597 HydrophobicContact CB-CG 4.44Å; P565-R597 HydrophobicContact CG-CG 3.97Å
566A97.3Very high92.6Very high0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-59.7145177.300000111.8T53 Y55 F568 P595 F596 R597T53-A566 HydrophobicContact CG2-CB 3.89Å; Y55-A566 HydrophobicContact CD1-CB 4.25Å; Y55-A566 HydrophobicContact CD2-CB 3.54Å; Y55-A566 HydrophobicContact CE1-CB 4.18Å; Y55-A566 HydrophobicContact CE2-CB 3.45Å; Y55-A566 VanDerWaalsContact CE2-CB 3.45Å; Y55-A566 HydrophobicContact CG-CB 3.95Å; A566-F568 VanDerWaalsContact C-N 3.35Å; A566-P595 PolarHBondContact N-O 2.55Å; A566-P595 VanDerWaalsContact N-O 3.08Å; A566-F596 HydrophobicContact CB-CB 4.34Å; A566-F596 CarbonylContact O-C 3.59Å; A566-F596 VanDerWaalsContact O-CA 3.22Å; A566-F596 WeakPolarHBondContact O-CA 3.45Å; A566-R597 PolarHBondContact O-N 2.78Å
567D97.6Very high92.1Very high21 Ų2143.7 Ų43.711%0.11222%0.215CC..EExtended strand (participates in β ladder)trans-71.7-32.4177.3-64.6-70.6000111.7F52 T53 R597 N598 Y727F52-D567 WeakPolarHBondContact CA-OD2 3.26Å; F52-D567 HydrophobicContact CD1-CB 4.36Å; F52-D567 HydrophobicContact CD2-CB 3.78Å; F52-D567 HydrophobicContact CE1-CB 4.31Å; F52-D567 HydrophobicContact CE2-CB 3.71Å; F52-D567 HydrophobicContact CG-CB 4.12Å; F52-D567 HydrophobicContact CZ-CB 4Å; T53-D567 PolarHBondContact N-OD2 3.21Å; T53-D567 PolarHBondContact O-N 3.43Å; D567-R597 IonicContact OD1-CZ 3.16Å; D567-R597 IonicContact OD1-NH1 3.78Å; D567-R597 PolarHBondContact OD1-NH1 2.98Å; D567-N598 WeakPolarHBondContact O-CB 3.31Å; D567-N598 PolarHBondContact O-N 3.41Å; D567-N598 PolarHBondContact O-ND2 2.92Å; D567-Y727 PolarHBondContact O-OH 3.28Å
568F97.4Very high91.7Very high0 Ų041.4 Ų41.40%020%0.201CC..EExtended strand (participates in β ladder)trans-153.9139.4-173.3170.1-112.4000114.5F52 T53 F54 Y55 I75 K76 I79 A566 A570 N598 I600 Y727F52-F568 HydrophobicContact CE1-CB 3.74Å; F52-F568 HydrophobicContact CE1-CD1 4.43Å; F52-F568 HydrophobicContact CE1-CG 4.5Å; F52-F568 HydrophobicContact CZ-CB 3.55Å; F52-F568 HydrophobicContact CZ-CG 4.36Å; T53-F568 PolarHBondContact O-N 2.91Å; F54-F568 WeakPolarHBondContact CA-O 3.42Å; F54-F568 AromaticContact CD2-CD1 3.73Å; F54-F568 HydrophobicContact CD2-CD1 3.73Å; F54-F568 HydrophobicContact CD2-CE1 4.08Å; F54-F568 HydrophobicContact CE2-CD1 4.39Å; F54-F568 HydrophobicContact CE2-CE1 4.32Å; Y55-F568 PolarHBondContact N-O 3.18Å; I75-F568 HydrophobicContact CG2-CZ 4.32Å; K76-F568 HydrophobicContact CG-CE1 4.5Å; I79-F568 HydrophobicContact CB-CD1 4.08Å; I79-F568 HydrophobicContact CB-CE1 3.61Å; I79-F568 HydrophobicContact CB-CE2 4.44Å; I79-F568 HydrophobicContact CB-CZ 3.8Å; I79-F568 HydrophobicContact CG1-CE1 4.04Å; I79-F568 HydrophobicContact CG1-CE2 4.14Å; I79-F568 HydrophobicContact CG1-CZ 3.67Å; I79-F568 HydrophobicContact CG2-CD1 3.59Å; I79-F568 HydrophobicContact CG2-CD2 4.16Å; I79-F568 HydrophobicContact CG2-CE1 3.65Å; I79-F568 HydrophobicContact CG2-CE2 4.21Å; I79-F568 HydrophobicContact CG2-CG 3.84Å; I79-F568 HydrophobicContact CG2-CZ 3.95Å; A566-F568 VanDerWaalsContact C-N 3.35Å; F568-A570 HydrophobicContact CE1-CB 4.32Å; F568-A570 HydrophobicContact CE2-CB 3.86Å; F568-A570 HydrophobicContact CZ-CB 3.46Å; F568-A570 VanDerWaalsContact CZ-CB 3.46Å; F568-N598 WeakPolarHBondContact CA-O 3.43Å; F568-I600 HydrophobicContact CE2-CB 4.14Å; F568-I600 HydrophobicContact CE2-CD1 3.7Å; F568-I600 HydrophobicContact CE2-CG1 3.81Å; F568-I600 HydrophobicContact CZ-CD1 4.17Å; F568-Y727 HydrophobicContact CB-CE1 3.93Å; F568-Y727 AromaticContact CD2-CD1 3.65Å; F568-Y727 HydrophobicContact CD2-CD1 3.65Å; F568-Y727 AromaticContact CD2-CE1 3.42Å; F568-Y727 HydrophobicContact CD2-CE1 3.42Å; F568-Y727 VanDerWaalsContact CD2-CE1 3.42Å; F568-Y727 AromaticContact CE2-CD1 3.97Å; F568-Y727 HydrophobicContact CE2-CD1 3.97Å; F568-Y727 HydrophobicContact CE2-CE1 4.16Å; F568-Y727 HydrophobicContact CG-CD1 4.48Å; F568-Y727 AromaticContact CG-CE1 3.85Å; F568-Y727 HydrophobicContact CG-CE1 3.85Å
569I97.5Very high91.7Very high0 Ų036.2 Ų36.20%017%0.173CC..EExtended strand (participates in β ladder)trans-136.7158.3163.361.5158.3000111Y55 W579 F580 L583 F596 N598 L599 I600Y55-I569 HydrophobicContact CD2-CG2 4.35Å; Y55-I569 HydrophobicContact CG-CG2 4.42Å; I569-W579 HydrophobicContact CB-CH2 4.35Å; I569-W579 HydrophobicContact CB-CZ3 4.12Å; I569-W579 HydrophobicContact CD1-CE3 4.46Å; I569-W579 HydrophobicContact CD1-CZ3 3.94Å; I569-W579 HydrophobicContact CG2-CH2 4.04Å; I569-W579 HydrophobicContact CG2-CZ3 4.3Å; I569-F580 HydrophobicContact CD1-CD1 3.88Å; I569-F580 HydrophobicContact CD1-CE1 3.9Å; I569-L583 HydrophobicContact CD1-CD1 4.17Å; I569-F596 HydrophobicContact CD1-CD1 3.24Å; I569-F596 HydrophobicContact CD1-CD2 4.28Å; I569-F596 HydrophobicContact CD1-CE1 3.35Å; I569-F596 HydrophobicContact CD1-CE2 4.36Å; I569-F596 HydrophobicContact CD1-CG 3.77Å; I569-F596 HydrophobicContact CD1-CZ 3.93Å; I569-F596 HydrophobicContact CG1-CB 4.14Å; I569-F596 HydrophobicContact CG1-CD1 3.78Å; I569-F596 HydrophobicContact CG1-CD2 4.15Å; I569-F596 HydrophobicContact CG1-CE1 4.24Å; I569-F596 HydrophobicContact CG1-CG 3.75Å; I569-F596 HydrophobicContact CG2-CB 4.33Å; I569-N598 PolarHBondContact N-O 3.43Å; I569-L599 HydrophobicContact CD1-CB 4.47Å; I569-L599 HydrophobicContact CD1-CD1 3.75Å; I569-L599 HydrophobicContact CD1-CD2 4.42Å; I569-L599 HydrophobicContact CD1-CG 4.42Å; I569-L599 HydrophobicContact CG1-CB 4.03Å; I569-L599 HydrophobicContact CG1-CD1 3.63Å; I569-L599 HydrophobicContact CG1-CG 4.31Å; I569-L599 WeakPolarHBondContact O-CA 3.47Å; I569-I600 PolarHBondContact O-N 2.95Å; I569-I600 VanDerWaalsContact O-N 3.09Å
570A96.8Very high91.9Very high0 Ų034.3 Ų34.30%016%0.161CC..EExtended strand (participates in β ladder)trans-152127.9172.500000112.7I75 K76 F568 I600I75-A570 HydrophobicContact CG2-CB 3.88Å; K76-A570 WeakPolarHBondContact CD-O 3Å; K76-A570 HydrophobicContact CG-CB 4.02Å; F568-A570 HydrophobicContact CE1-CB 4.32Å; F568-A570 HydrophobicContact CE2-CB 3.86Å; F568-A570 HydrophobicContact CZ-CB 3.46Å; F568-A570 VanDerWaalsContact CZ-CB 3.46Å; A570-I600 VanDerWaalsContact CA-O 3.25Å; A570-I600 WeakPolarHBondContact CA-O 3.46Å; A570-I600 HydrophobicContact CB-CB 3.99Å
571E94.5Very high91.9Very high26 Ų2634.7 Ų34.712%0.12116%0.163CC..EExtended strand (participates in β ladder)trans-151.5177.5174.6-65.9-60.1154.600111.6G57 K76 Q575 W579 F580 I600 V601 N602G57-E571 WeakPolarHBondContact CA-OE1 3.45Å; G57-E571 PolarHBondContact N-OE1 3.27Å; K76-E571 IonicContact NZ-OE1 3.77Å; K76-E571 PolarHBondContact NZ-OE1 2.85Å; K76-E571 IonicContact NZ-OE2 2.75Å; E571-Q575 HydrophobicContact CB-CB 4.12Å; E571-Q575 HydrophobicContact CB-CG 3.58Å; E571-Q575 HydrophobicContact CG-CG 4.23Å; E571-W579 HydrophobicContact CG-CE3 3.84Å; E571-W579 HydrophobicContact CG-CZ3 3.94Å; E571-F580 HydrophobicContact CB-CE1 3.76Å; E571-F580 HydrophobicContact CB-CZ 3.64Å; E571-F580 HydrophobicContact CG-CE1 4.19Å; E571-I600 PolarHBondContact N-O 2.82Å; E571-V601 WeakPolarHBondContact O-CA 3.42Å; E571-N602 PolarHBondContact O-N 3.42Å; E571-N602 PolarHBondContact O-OD1 3.23Å
572G91.3Very high92Very high4 Ų428.5 Ų28.54%0.04113%0.134CC..EExtended strand (participates in β ladder)trans-66.7157177.900000114.8D574 Q575 N602G572-D574 VanDerWaalsContact C-OD1 3.29Å; G572-D574 WeakPolarHBondContact CA-OD1 3.25Å; G572-D574 PolarHBondContact O-N 2.92Å; G572-D574 VanDerWaalsContact O-N 3.1Å; G572-Q575 WeakPolarHBondContact O-CB 3.39Å; G572-Q575 PolarHBondContact O-N 3.33Å; G572-N602 CarbonylContact C-O 3.55Å; G572-N602 WeakPolarHBondContact CA-O 3.38Å; G572-N602 PolarHBondContact N-OD1 3.23Å
573I91.9Very high92.4Very high17 Ų1721.5 Ų21.59%0.08710%0.101CC..G310 helixtrans-56.8-25.1178-167.6171.1000113.5Q575 T576 V601 N602 I604 A647I573-Q575 PolarHBondContact O-N 3.28Å; I573-T576 WeakPolarHBondContact O-CB 3.42Å; I573-T576 WeakPolarHBondContact O-CG2 3.35Å; I573-T576 PolarHBondContact O-N 2.83Å; I573-T576 PolarHBondContact O-OG1 3.06Å; I573-V601 VanDerWaalsContact CA-CG1 3.49Å; I573-V601 HydrophobicContact CB-CG1 3.86Å; I573-V601 HydrophobicContact CG1-CG1 4.21Å; I573-N602 PolarHBondContact N-O 3.21Å; I573-I604 HydrophobicContact CG2-CD1 4.07Å; I573-I604 HydrophobicContact CG2-CG1 3.79Å; I573-A647 HydrophobicContact CD1-CB 4.31Å
574D82.7Confident92.7Very high92 Ų9221.3 Ų21.349%0.49210%0.099SC..G310 helixtrans-61.7-27.117353.9-64.4000113.1G572 T576 R577G572-D574 VanDerWaalsContact C-OD1 3.29Å; G572-D574 WeakPolarHBondContact CA-OD1 3.25Å; G572-D574 PolarHBondContact O-N 2.92Å; G572-D574 VanDerWaalsContact O-N 3.1Å; D574-T576 PolarHBondContact O-N 2.91Å; D574-R577 PolarHBondContact O-N 3.19Å
575Q89.7Confident92.8Very high30 Ų3020.6 Ų20.614%0.1410%0.096CC..G310 helixtrans-72-9.1178.8-60.5-51.8-45.300114E571 G572 I573 R577 G578 W579 F580E571-Q575 HydrophobicContact CB-CB 4.12Å; E571-Q575 HydrophobicContact CB-CG 3.58Å; E571-Q575 HydrophobicContact CG-CG 4.23Å; G572-Q575 WeakPolarHBondContact O-CB 3.39Å; G572-Q575 PolarHBondContact O-N 3.33Å; I573-Q575 PolarHBondContact O-N 3.28Å; Q575-R577 PolarHBondContact O-N 3Å; Q575-R577 VanDerWaalsContact O-N 3.12Å; Q575-G578 CarbonylContact O-C 3.5Å; Q575-G578 PolarHBondContact O-N 3.02Å; Q575-W579 HydrophobicContact CB-CB 4.49Å; Q575-W579 PolarHBondContact O-N 3.28Å; Q575-W579 VanDerWaalsContact OE1-CB 3.28Å; Q575-W579 VanDerWaalsContact OE1-N 3.09Å; Q575-F580 VanDerWaalsContact C-CD2 3.42Å; Q575-F580 HydrophobicContact CB-CD1 4.03Å; Q575-F580 HydrophobicContact CB-CD2 3.86Å; Q575-F580 HydrophobicContact CB-CE1 3.84Å; Q575-F580 HydrophobicContact CB-CE2 3.67Å; Q575-F580 HydrophobicContact CB-CG 4.03Å; Q575-F580 HydrophobicContact CB-CZ 3.66Å; Q575-F580 WeakPolarHBondContact O-CB 3.41Å; Q575-F580 WeakPolarHBondContact O-CG 3.27Å; Q575-F580 PolarHBondContact O-N 3.29Å; Q575-F580 VanDerWaalsContact O-N 3.11Å
576T87.7Confident92.8Very high11 Ų1119.8 Ų19.87%0.0679%0.09CC..G310 helixtrans-59.3-18.8168.357.30000113.3W447 V452 F457 I573 D574 F580W447-T576 HydrophobicContact CZ3-CG2 4.22Å; V452-T576 HydrophobicContact CG1-CG2 3.79Å; F457-T576 HydrophobicContact CD2-CG2 4.5Å; F457-T576 WeakPolarHBondContact CD2-O 3.36Å; F457-T576 WeakPolarHBondContact CE2-O 3.32Å; I573-T576 WeakPolarHBondContact O-CB 3.42Å; I573-T576 WeakPolarHBondContact O-CG2 3.35Å; I573-T576 PolarHBondContact O-N 2.83Å; I573-T576 PolarHBondContact O-OG1 3.06Å; D574-T576 PolarHBondContact O-N 2.91Å; T576-F580 HydrophobicContact CG2-CD2 4.15Å; T576-F580 HydrophobicContact CG2-CE2 4.47Å
577R82.1Confident92.8Very high185 Ų18519.8 Ų19.870%0.6989%0.09SC*.G310 helixtrans-116.78.9175.4-62.7177.1177.5170.6-3.5112.9D574 Q575D574-R577 PolarHBondContact O-N 3.19Å; Q575-R577 PolarHBondContact O-N 3Å; Q575-R577 VanDerWaalsContact O-N 3.12Å
578G85.6Confident92.8Very high3 Ų318.8 Ų18.83%0.0319%0.085CC..THydrogen-bonded Turntrans-129.1-111.7-176.900000109.8Q575 F580 Y581 T582Q575-G578 CarbonylContact O-C 3.5Å; Q575-G578 PolarHBondContact O-N 3.02Å; G578-F580 PolarHBondContact O-N 3.43Å; G578-Y581 WeakPolarHBondContact O-CB 3.31Å; G578-Y581 PolarHBondContact O-N 2.87Å; G578-T582 PolarHBondContact O-N 3.32Å
579W91.3Very high92.8Very high4 Ų419 Ų192%0.0159%0.087CC..Hα-helixtrans-61.3-39.6-169.8-16954.6000114.4W539 S542 I569 E571 Q575 Y581 T582 L583W539-W579 HydrophobicContact CZ3-CB 4.13Å; W539-W579 VanDerWaalsContact CZ3-N 3.31Å; S542-W579 PolarHBondContact O-NE1 3.45Å; I569-W579 HydrophobicContact CB-CH2 4.35Å; I569-W579 HydrophobicContact CB-CZ3 4.12Å; I569-W579 HydrophobicContact CD1-CE3 4.46Å; I569-W579 HydrophobicContact CD1-CZ3 3.94Å; I569-W579 HydrophobicContact CG2-CH2 4.04Å; I569-W579 HydrophobicContact CG2-CZ3 4.3Å; E571-W579 HydrophobicContact CG-CE3 3.84Å; E571-W579 HydrophobicContact CG-CZ3 3.94Å; Q575-W579 HydrophobicContact CB-CB 4.49Å; Q575-W579 PolarHBondContact O-N 3.28Å; Q575-W579 VanDerWaalsContact OE1-CB 3.28Å; Q575-W579 VanDerWaalsContact OE1-N 3.09Å; W579-Y581 VanDerWaalsContact C-N 3.29Å; W579-Y581 PolarHBondContact O-N 2.74Å; W579-T582 PolarHBondContact O-N 3.31Å; W579-T582 PolarHBondContact O-OG1 2.73Å; W579-L583 HydrophobicContact CD2-CD1 3.61Å; W579-L583 HydrophobicContact CD2-CG 4.22Å; W579-L583 VanDerWaalsContact CE2-CD1 3.48Å; W579-L583 HydrophobicContact CE3-CD1 3.9Å; W579-L583 HydrophobicContact CG-CD1 4.19Å; W579-L583 HydrophobicContact CG-CG 4.37Å; W579-L583 HydrophobicContact CH2-CD1 3.97Å; W579-L583 HydrophobicContact CZ2-CD1 3.69Å; W579-L583 HydrophobicContact CZ2-CD2 4.35Å; W579-L583 HydrophobicContact CZ2-CG 4.37Å; W579-L583 HydrophobicContact CZ3-CD1 4.07Å; W579-L583 WeakPolarHBondContact O-CB 3.2Å; W579-L583 VanDerWaalsContact O-CG 3.3Å; W579-L583 WeakPolarHBondContact O-CG 3.25Å; W579-L583 PolarHBondContact O-N 3.26Å
580F93.9Very high92.7Very high0 Ų019.7 Ų19.70%09%0.091CC..Hα-helixtrans-64-38-180-55.5-24.8000111.9W447 F457 I569 E571 Q575 T576 G578 L584 L599 V601W447-F580 HydrophobicContact CH2-CB 4.36Å; W447-F580 HydrophobicContact CH2-CD2 4.05Å; W447-F580 HydrophobicContact CH2-CG 4.5Å; W447-F580 HydrophobicContact CZ3-CD2 4.12Å; F457-F580 HydrophobicContact CE2-CB 4.15Å; F457-F580 HydrophobicContact CZ-CB 4.14Å; I569-F580 HydrophobicContact CD1-CD1 3.88Å; I569-F580 HydrophobicContact CD1-CE1 3.9Å; E571-F580 HydrophobicContact CB-CE1 3.76Å; E571-F580 HydrophobicContact CB-CZ 3.64Å; E571-F580 HydrophobicContact CG-CE1 4.19Å; Q575-F580 VanDerWaalsContact C-CD2 3.42Å; Q575-F580 HydrophobicContact CB-CD1 4.03Å; Q575-F580 HydrophobicContact CB-CD2 3.86Å; Q575-F580 HydrophobicContact CB-CE1 3.84Å; Q575-F580 HydrophobicContact CB-CE2 3.67Å; Q575-F580 HydrophobicContact CB-CG 4.03Å; Q575-F580 HydrophobicContact CB-CZ 3.66Å; Q575-F580 WeakPolarHBondContact O-CB 3.41Å; Q575-F580 WeakPolarHBondContact O-CG 3.27Å; Q575-F580 PolarHBondContact O-N 3.29Å; Q575-F580 VanDerWaalsContact O-N 3.11Å; T576-F580 HydrophobicContact CG2-CD2 4.15Å; T576-F580 HydrophobicContact CG2-CE2 4.47Å; G578-F580 PolarHBondContact O-N 3.43Å; F580-L584 WeakPolarHBondContact O-CB 3.38Å; F580-L584 PolarHBondContact O-N 3.02Å; F580-L599 HydrophobicContact CD1-CD1 4.28Å; F580-L599 HydrophobicContact CD1-CD2 4.12Å; F580-L599 HydrophobicContact CD2-CD2 3.82Å; F580-L599 HydrophobicContact CE1-CD1 3.53Å; F580-L599 HydrophobicContact CE1-CD2 4.1Å; F580-L599 HydrophobicContact CE2-CD1 4.04Å; F580-L599 HydrophobicContact CE2-CD2 3.81Å; F580-L599 HydrophobicContact CE2-CG 4.47Å; F580-L599 HydrophobicContact CG-CD2 3.98Å; F580-L599 HydrophobicContact CZ-CD1 3.38Å; F580-L599 HydrophobicContact CZ-CD2 3.95Å; F580-L599 HydrophobicContact CZ-CG 4.26Å; F580-V601 HydrophobicContact CE2-CG2 3.99Å; F580-V601 HydrophobicContact CZ-CG2 4.49Å
581Y92.6Very high92.7Very high18 Ų1822.5 Ų22.57%0.07110%0.103CC..Hα-helixtrans-64-52.4176166.8-121.8000111.4V431 W460 L461 G578 W579 L583 L584 V585V431-Y581 HydrophobicContact CG1-CE2 4.45Å; W460-Y581 HydrophobicContact CE3-CD2 4.37Å; W460-Y581 AromaticContact CH2-CD1 3.5Å; W460-Y581 HydrophobicContact CH2-CD1 3.5Å; W460-Y581 AromaticContact CH2-CD2 3.24Å; W460-Y581 HydrophobicContact CH2-CD2 3.24Å; W460-Y581 AromaticContact CH2-CE1 3.69Å; W460-Y581 HydrophobicContact CH2-CE1 3.69Å; W460-Y581 AromaticContact CH2-CE2 3.37Å; W460-Y581 HydrophobicContact CH2-CE2 3.37Å; W460-Y581 AromaticContact CH2-CG 3.22Å; W460-Y581 HydrophobicContact CH2-CG 3.22Å; W460-Y581 AromaticContact CH2-CZ 3.59Å; W460-Y581 HydrophobicContact CZ3-CD1 4.14Å; W460-Y581 AromaticContact CZ3-CD2 3.08Å; W460-Y581 HydrophobicContact CZ3-CD2 3.08Å; W460-Y581 AromaticContact CZ3-CE2 3.51Å; W460-Y581 HydrophobicContact CZ3-CE2 3.51Å; W460-Y581 AromaticContact CZ3-CG 3.36Å; W460-Y581 HydrophobicContact CZ3-CG 3.36Å; L461-Y581 HydrophobicContact CD2-CD2 3.97Å; L461-Y581 HydrophobicContact CD2-CE2 4.22Å; G578-Y581 WeakPolarHBondContact O-CB 3.31Å; G578-Y581 PolarHBondContact O-N 2.87Å; W579-Y581 VanDerWaalsContact C-N 3.29Å; W579-Y581 PolarHBondContact O-N 2.74Å; Y581-L583 PolarHBondContact O-N 3.26Å; Y581-L584 PolarHBondContact O-N 3.04Å; Y581-L584 VanDerWaalsContact O-N 3.15Å; Y581-V585 HydrophobicContact CD2-CG2 3.52Å; Y581-V585 HydrophobicContact CE1-CG2 4.3Å; Y581-V585 HydrophobicContact CE2-CG2 3.19Å; Y581-V585 HydrophobicContact CG-CG2 4.31Å; Y581-V585 WeakPolarHBondContact O-CG2 3.43Å; Y581-V585 PolarHBondContact O-N 2.92Å
582T93.4Very high92.8Very high2 Ų225 Ų251%0.01212%0.117CC..Hα-helixtrans-69.6-35.8-173.258.60000112.2W467 W539 G543 G578 W579 L584 V585 L586W467-T582 HydrophobicContact CH2-CG2 3.31Å; W467-T582 HydrophobicContact CZ2-CG2 3.52Å; W467-T582 HydrophobicContact CZ3-CG2 3.94Å; W539-T582 HydrophobicContact CB-CG2 3.78Å; W539-T582 VanDerWaalsContact O-CB 3.29Å; W539-T582 WeakPolarHBondContact O-CB 3.37Å; W539-T582 PolarHBondContact O-OG1 2.8Å; W539-T582 VanDerWaalsContact O-OG1 3.07Å; G543-T582 WeakPolarHBondContact CA-OG1 3.44Å; G578-T582 PolarHBondContact O-N 3.32Å; W579-T582 PolarHBondContact O-N 3.31Å; W579-T582 PolarHBondContact O-OG1 2.73Å; T582-L584 PolarHBondContact O-N 2.85Å; T582-V585 PolarHBondContact O-N 3.26Å; T582-L586 WeakPolarHBondContact O-CB 3.23Å; T582-L586 VanDerWaalsContact O-CG 3.3Å; T582-L586 WeakPolarHBondContact O-CG 3.48Å; T582-L586 PolarHBondContact O-N 2.94Å
583L96.9Very high93Very high0 Ų028 Ų280%013%0.13CC..Hα-helixtrans-54.6-50.5168.4-79.3175.5000111.6P546 I569 W579 Y581 S587 P595 F596P546-L583 HydrophobicContact CG-CD2 3.33Å; I569-L583 HydrophobicContact CD1-CD1 4.17Å; W579-L583 HydrophobicContact CD2-CD1 3.61Å; W579-L583 HydrophobicContact CD2-CG 4.22Å; W579-L583 VanDerWaalsContact CE2-CD1 3.48Å; W579-L583 HydrophobicContact CE3-CD1 3.9Å; W579-L583 HydrophobicContact CG-CD1 4.19Å; W579-L583 HydrophobicContact CG-CG 4.37Å; W579-L583 HydrophobicContact CH2-CD1 3.97Å; W579-L583 HydrophobicContact CZ2-CD1 3.69Å; W579-L583 HydrophobicContact CZ2-CD2 4.35Å; W579-L583 HydrophobicContact CZ2-CG 4.37Å; W579-L583 HydrophobicContact CZ3-CD1 4.07Å; W579-L583 WeakPolarHBondContact O-CB 3.2Å; W579-L583 VanDerWaalsContact O-CG 3.3Å; W579-L583 WeakPolarHBondContact O-CG 3.25Å; W579-L583 PolarHBondContact O-N 3.26Å; Y581-L583 PolarHBondContact O-N 3.26Å; L583-S587 WeakPolarHBondContact O-CB 3.44Å; L583-S587 PolarHBondContact O-N 3.33Å; L583-P595 HydrophobicContact CB-CB 4.05Å; L583-P595 HydrophobicContact CB-CG 3.87Å; L583-F596 HydrophobicContact CD1-CD1 4.35Å; L583-F596 HydrophobicContact CD1-CE1 4.36Å
584L96.4Very high93.2Very high2 Ų228 Ų281%0.0113%0.131CC..Hα-helixtrans-67.2-42.1-176.4-176.865.3000111.9L438 N441 N442 F457 L461 F580 Y581 T582 T588 P595L438-L584 HydrophobicContact CB-CD2 4.41Å; L438-L584 HydrophobicContact CD2-CD2 4.4Å; L438-L584 HydrophobicContact CD2-CG 3.95Å; N441-L584 HydrophobicContact CB-CD1 3.95Å; N442-L584 HydrophobicContact CB-CD2 3.96Å; F457-L584 HydrophobicContact CE1-CD2 3.72Å; F457-L584 HydrophobicContact CZ-CD2 4.17Å; L461-L584 HydrophobicContact CD1-CD2 3.76Å; L461-L584 HydrophobicContact CD2-CD2 4.47Å; F580-L584 WeakPolarHBondContact O-CB 3.38Å; F580-L584 PolarHBondContact O-N 3.02Å; Y581-L584 PolarHBondContact O-N 3.04Å; Y581-L584 VanDerWaalsContact O-N 3.15Å; T582-L584 PolarHBondContact O-N 2.85Å; L584-T588 WeakPolarHBondContact O-CB 3.39Å; L584-T588 PolarHBondContact O-N 3.46Å; L584-T588 PolarHBondContact O-OG1 3.25Å; L584-P595 HydrophobicContact CB-CG 4.48Å
585V95.3Very high93.9Very high0 Ų023.6 Ų23.60%011%0.107CC..Hα-helixtrans-60.2-52.8177.2169.50000111V431 M434 L438 W467 Y581 T582 T588 A589V431-V585 HydrophobicContact CG1-CG2 4.33Å; V431-V585 HydrophobicContact CG2-CG1 3.99Å; M434-V585 HydrophobicContact SD-CG1 4.3Å; L438-V585 HydrophobicContact CD1-CG2 4.18Å; L438-V585 HydrophobicContact CD2-CG2 4.09Å; W467-V585 HydrophobicContact CE3-CG1 4.14Å; W467-V585 HydrophobicContact CZ3-CG1 4.32Å; Y581-V585 HydrophobicContact CD2-CG2 3.52Å; Y581-V585 HydrophobicContact CE1-CG2 4.3Å; Y581-V585 HydrophobicContact CE2-CG2 3.19Å; Y581-V585 HydrophobicContact CG-CG2 4.31Å; Y581-V585 WeakPolarHBondContact O-CG2 3.43Å; Y581-V585 PolarHBondContact O-N 2.92Å; T582-V585 PolarHBondContact O-N 3.26Å; V585-T588 PolarHBondContact O-N 2.95Å; V585-A589 VanDerWaalsContact O-CB 3.24Å; V585-A589 WeakPolarHBondContact O-CB 3.44Å; V585-A589 PolarHBondContact O-N 3.27Å
586L97.2Very high94.2Very high0 Ų022.2 Ų22.20%010%0.101CC..Hα-helixtrans-66.8-43.5-177.1-65.9173.9000111.4V173 L177 W467 F540 G543 Y547 T582 T588 A589 L590V173-L586 HydrophobicContact CG1-CD2 4.09Å; L177-L586 HydrophobicContact CD1-CD2 3.77Å; W467-L586 HydrophobicContact CZ3-CD2 4.21Å; W467-L586 HydrophobicContact CZ3-CG 4.25Å; F540-L586 HydrophobicContact CD2-CD1 4.43Å; F540-L586 HydrophobicContact CD2-CD2 4.02Å; F540-L586 HydrophobicContact CE2-CD2 3.52Å; F540-L586 HydrophobicContact CZ-CD2 4.25Å; G543-L586 WeakPolarHBondContact O-CD1 3.4Å; Y547-L586 HydrophobicContact CE2-CB 4.4Å; T582-L586 WeakPolarHBondContact O-CB 3.23Å; T582-L586 VanDerWaalsContact O-CG 3.3Å; T582-L586 WeakPolarHBondContact O-CG 3.48Å; T582-L586 PolarHBondContact O-N 2.94Å; L586-T588 VanDerWaalsContact C-N 3.35Å; L586-T588 PolarHBondContact O-N 3.47Å; L586-A589 PolarHBondContact O-N 2.85Å; L586-L590 VanDerWaalsContact O-CB 3.26Å; L586-L590 WeakPolarHBondContact O-CB 3.42Å; L586-L590 VanDerWaalsContact O-CG 3.23Å; L586-L590 WeakPolarHBondContact O-CG 3.48Å; L586-L590 PolarHBondContact O-N 3.01Å
587S97.7Very high94.7Very high0 Ų027 Ų270%012%0.118CC..Hα-helixtrans-60.2-44.3177.2-177.90000112.2Y547 F564 L583 F591 D592 Q593Y547-S587 WeakPolarHBondContact OH-CA 3.27Å; Y547-S587 PolarHBondContact OH-N 3.31Å; F564-S587 WeakPolarHBondContact CZ-OG 3.39Å; L583-S587 WeakPolarHBondContact O-CB 3.44Å; L583-S587 PolarHBondContact O-N 3.33Å; S587-F591 WeakPolarHBondContact O-CA 3.38Å; S587-F591 PolarHBondContact O-N 3.37Å; S587-D592 PolarHBondContact O-N 2.79Å; S587-Q593 WeakPolarHBondContact CB-O 3.29Å; S587-Q593 PolarHBondContact OG-O 2.99Å
588T97.4Very high95.4Very high0 Ų019.4 Ų19.40%09%0.091CC..Hα-helixtrans-67.1-43.4178-60.40000111.1R437 L438 N441 L584 V585 L586 D592R437-T588 HydrophobicContact CB-CG2 3.73Å; R437-T588 PolarHBondContact NH2-O 3.4Å; L438-T588 HydrophobicContact CD2-CG2 3.98Å; L438-T588 HydrophobicContact CG-CG2 4.49Å; N441-T588 PolarHBondContact ND2-OG1 3.42Å; N441-T588 VanDerWaalsContact ND2-OG1 3.11Å; L584-T588 WeakPolarHBondContact O-CB 3.39Å; L584-T588 PolarHBondContact O-N 3.46Å; L584-T588 PolarHBondContact O-OG1 3.25Å; V585-T588 PolarHBondContact O-N 2.95Å; L586-T588 VanDerWaalsContact C-N 3.35Å; L586-T588 PolarHBondContact O-N 3.47Å; T588-D592 VanDerWaalsContact O-CA 3.27Å; T588-D592 WeakPolarHBondContact O-CA 3.41Å; T588-D592 PolarHBondContact O-N 2.7Å
589A96.4Very high95.9Very high5 Ų519.3 Ų19.34%0.0419%0.09CC..Hα-helixtrans-67.5-37.7179.800000113.1L177 K180 L182 M434 V585 L586L177-A589 HydrophobicContact CD2-CB 3.44Å; L177-A589 VanDerWaalsContact CD2-CB 3.44Å; K180-A589 PolarHBondContact NZ-O 3.01Å; L182-A589 HydrophobicContact CD1-CB 3.81Å; M434-A589 HydrophobicContact CE-CB 3.78Å; M434-A589 HydrophobicContact SD-CB 4.29Å; V585-A589 VanDerWaalsContact O-CB 3.24Å; V585-A589 WeakPolarHBondContact O-CB 3.44Å; V585-A589 PolarHBondContact O-N 3.27Å; L586-A589 PolarHBondContact O-N 2.85Å
590L96.7Very high96.2Very high14 Ų1419.2 Ų19.27%0.0739%0.09CC..Hα-helixtrans-81.3-49.1-178.8-67.4173.7000112.7W172 V173 Q176 L177 K180 Y547 L586W172-L590 HydrophobicContact CH2-CD2 4.4Å; W172-L590 HydrophobicContact CZ3-CD1 4.24Å; W172-L590 HydrophobicContact CZ3-CD2 4.49Å; V173-L590 HydrophobicContact CB-CD1 4.48Å; V173-L590 HydrophobicContact CG1-CD1 3.94Å; V173-L590 HydrophobicContact CG1-CD2 4.42Å; V173-L590 HydrophobicContact CG2-CD1 4Å; Q176-L590 HydrophobicContact CB-CD2 3.6Å; Q176-L590 HydrophobicContact CG-CD2 4.24Å; L177-L590 HydrophobicContact CD2-CD2 4.09Å; L177-L590 HydrophobicContact CD2-CG 4.45Å; L177-L590 HydrophobicContact CG-CD2 4.44Å; K180-L590 PolarHBondContact NZ-O 3.4Å; Y547-L590 HydrophobicContact CD2-CD1 4.24Å; Y547-L590 HydrophobicContact CE1-CD1 4.32Å; Y547-L590 HydrophobicContact CE2-CD1 3.77Å; L586-L590 VanDerWaalsContact O-CB 3.26Å; L586-L590 WeakPolarHBondContact O-CB 3.42Å; L586-L590 VanDerWaalsContact O-CG 3.23Å; L586-L590 WeakPolarHBondContact O-CG 3.48Å; L586-L590 PolarHBondContact O-N 3.01Å
591F96.2Very high96.4Very high60 Ų6019.2 Ų19.226%0.2639%0.09SC..Hα-helixtrans-127.3-3.8-165.3-56.3-71.4000114.6W172 Y547 Y552 F560 F564 S587 Q593W172-F591 AromaticContact CH2-CZ 4Å; W172-F591 HydrophobicContact CH2-CZ 4Å; Y547-F591 AromaticContact CD1-CE2 3.73Å; Y547-F591 HydrophobicContact CD1-CE2 3.73Å; Y547-F591 HydrophobicContact CD1-CZ 4.41Å; Y547-F591 HydrophobicContact CE1-CD2 4.06Å; Y547-F591 AromaticContact CE1-CE2 3.48Å; Y547-F591 HydrophobicContact CE1-CE2 3.48Å; Y547-F591 VanDerWaalsContact CE1-CE2 3.48Å; Y552-F591 AromaticContact CE1-CZ 3.91Å; Y552-F591 HydrophobicContact CE1-CZ 3.91Å; F560-F591 AromaticContact CE1-CE1 3.96Å; F560-F591 HydrophobicContact CE1-CE1 3.96Å; F560-F591 HydrophobicContact CE1-CE2 4.13Å; F560-F591 AromaticContact CE1-CZ 3.67Å; F560-F591 HydrophobicContact CE1-CZ 3.67Å; F560-F591 HydrophobicContact CZ-CD2 4.24Å; F560-F591 HydrophobicContact CZ-CE1 4.32Å; F560-F591 AromaticContact CZ-CE2 3.66Å; F560-F591 HydrophobicContact CZ-CE2 3.66Å; F560-F591 AromaticContact CZ-CZ 3.69Å; F560-F591 HydrophobicContact CZ-CZ 3.69Å; F564-F591 HydrophobicContact CE1-CB 4.21Å; F564-F591 AromaticContact CE1-CD2 3.78Å; F564-F591 HydrophobicContact CE1-CD2 3.78Å; F564-F591 HydrophobicContact CE1-CE2 4.49Å; F564-F591 HydrophobicContact CE1-CG 4.15Å; F564-F591 HydrophobicContact CZ-CD2 4.18Å; S587-F591 WeakPolarHBondContact O-CA 3.38Å; S587-F591 PolarHBondContact O-N 3.37Å; F591-Q593 HydrophobicContact CB-CG 3.81Å; F591-Q593 PolarHBondContact O-N 2.63Å
592D96.3Very high96.5Very high78 Ų7818.6 Ų18.642%0.4179%0.088SC..SBendtrans53.535.2-177.8-155.132.5000115.7R437 S587 T588R437-D592 IonicContact CZ-OD1 2.63Å; R437-D592 IonicContact CZ-OD2 3.26Å; R437-D592 IonicContact NE-OD1 3.32Å; R437-D592 PolarHBondContact NE-OD1 3.49Å; R437-D592 IonicContact NE-OD2 3.83Å; R437-D592 VanDerWaalsContact NH2-CB 3.33Å; R437-D592 IonicContact NH2-OD1 3.72Å; R437-D592 PolarHBondContact NH2-OD1 3.31Å; R437-D592 IonicContact NH2-OD2 2.92Å; S587-D592 PolarHBondContact O-N 2.79Å; T588-D592 VanDerWaalsContact O-CA 3.27Å; T588-D592 WeakPolarHBondContact O-CA 3.41Å; T588-D592 PolarHBondContact O-N 2.7Å
593Q95.7Very high96.5Very high67 Ų6718.6 Ų18.631%0.3139%0.088SC..SBendtrans-136.3161.8178.159.9-177.1-19.700110.9F564 S587 F591F564-Q593 HydrophobicContact CD1-CG 4.36Å; F564-Q593 HydrophobicContact CE1-CG 3.69Å; F564-Q593 HydrophobicContact CZ-CG 4.47Å; S587-Q593 WeakPolarHBondContact CB-O 3.29Å; S587-Q593 PolarHBondContact OG-O 2.99Å; F591-Q593 HydrophobicContact CB-CG 3.81Å; F591-Q593 PolarHBondContact O-N 2.63Å
594P96.7Very high96.2Very high16 Ų1621.6 Ų21.610%0.10410%0.104CC..  trans-62.8148.8172.625.7-35.3000111.4K444 C445 P565 F596K444-P594 HydrophobicContact CB-CG 4.27Å; C445-P594 WeakPolarHBondContact SG-CB 3.45Å; P565-P594 VanDerWaalsContact CB-O 3.28Å; P565-P594 WeakPolarHBondContact CB-O 3.4Å; P594-F596 VanDerWaalsContact C-N 3.34Å
595P96.5Very high95.9Very high0 Ų021.9 Ų21.90%011%0.105CC..SBendtrans-76-22.3176.325.8-31.9000113.6F564 A566 L583 L584F564-P595 HydrophobicContact CE2-CB 4.37Å; A566-P595 PolarHBondContact N-O 2.55Å; A566-P595 VanDerWaalsContact N-O 3.08Å; L583-P595 HydrophobicContact CB-CB 4.05Å; L583-P595 HydrophobicContact CB-CG 3.87Å; L584-P595 HydrophobicContact CB-CG 4.48Å
596F97.3Very high95.7Very high2 Ų222.9 Ų22.91%0.00911%0.111CC..EExtended strand (participates in β ladder)trans-147.5157.5-177.553-100.7000110.7C445 W447 A566 I569 L583 P594 L599C445-F596 HydrophobicContact CB-CD2 4.33Å; C445-F596 HydrophobicContact CB-CE2 3.96Å; C445-F596 PolarHBondContact SG-O 3.36Å; W447-F596 HydrophobicContact CZ2-CZ 4.31Å; A566-F596 HydrophobicContact CB-CB 4.34Å; A566-F596 CarbonylContact O-C 3.59Å; A566-F596 VanDerWaalsContact O-CA 3.22Å; A566-F596 WeakPolarHBondContact O-CA 3.45Å; I569-F596 HydrophobicContact CD1-CD1 3.24Å; I569-F596 HydrophobicContact CD1-CD2 4.28Å; I569-F596 HydrophobicContact CD1-CE1 3.35Å; I569-F596 HydrophobicContact CD1-CE2 4.36Å; I569-F596 HydrophobicContact CD1-CG 3.77Å; I569-F596 HydrophobicContact CD1-CZ 3.93Å; I569-F596 HydrophobicContact CG1-CB 4.14Å; I569-F596 HydrophobicContact CG1-CD1 3.78Å; I569-F596 HydrophobicContact CG1-CD2 4.15Å; I569-F596 HydrophobicContact CG1-CE1 4.24Å; I569-F596 HydrophobicContact CG1-CG 3.75Å; I569-F596 HydrophobicContact CG2-CB 4.33Å; L583-F596 HydrophobicContact CD1-CD1 4.35Å; L583-F596 HydrophobicContact CD1-CE1 4.36Å; P594-F596 VanDerWaalsContact C-N 3.34Å; F596-L599 HydrophobicContact CD2-CB 3.97Å; F596-L599 HydrophobicContact CE2-CB 3.59Å; F596-L599 HydrophobicContact CE2-CD2 3.94Å; F596-L599 HydrophobicContact CE2-CG 4.38Å; F596-L599 HydrophobicContact CZ-CB 4.24Å; F596-L599 HydrophobicContact CZ-CD2 3.78Å
597R97.4Very high95.2Very high110 Ų11023 Ų2342%0.41511%0.111SC..EExtended strand (participates in β ladder)trans-89.6-44.6176.2-62.9-179176.6152.81.9112.1L446 P565 A566 D567L446-R597 PolarHBondContact N-O 3.22Å; P565-R597 HydrophobicContact CB-CG 4.44Å; P565-R597 HydrophobicContact CG-CG 3.97Å; A566-R597 PolarHBondContact O-N 2.78Å; D567-R597 IonicContact OD1-CZ 3.16Å; D567-R597 IonicContact OD1-NH1 3.78Å; D567-R597 PolarHBondContact OD1-NH1 2.98Å
598N97.5Very high94.7Very high27 Ų2727 Ų2714%0.14414%0.139CC..EExtended strand (participates in β ladder)trans-129.4135.5-174-49.8-79.5000111.2L446 D567 F568 I569 Y727L446-N598 WeakPolarHBondContact CB-OD1 3.5Å; L446-N598 WeakPolarHBondContact CD2-OD1 3.23Å; L446-N598 CarbonylContact O-C 3.59Å; L446-N598 WeakPolarHBondContact O-CA 3.49Å; D567-N598 WeakPolarHBondContact O-CB 3.31Å; D567-N598 PolarHBondContact O-N 3.41Å; D567-N598 PolarHBondContact O-ND2 2.92Å; F568-N598 WeakPolarHBondContact CA-O 3.43Å; I569-N598 PolarHBondContact N-O 3.43Å; N598-Y727 HydrophobicContact CB-CD1 4.27Å; N598-Y727 HydrophobicContact CB-CD2 3.81Å; N598-Y727 HydrophobicContact CB-CE1 3.96Å; N598-Y727 HydrophobicContact CB-CE2 3.49Å; N598-Y727 VanDerWaalsContact CB-CE2 3.49Å; N598-Y727 HydrophobicContact CB-CG 4.2Å; N598-Y727 WeakPolarHBondContact ND2-CE2 3.35Å; N598-Y727 PolarHBondContact ND2-OH 2.85Å; N598-Y727 WeakPolarHBondContact OD1-CE2 3.03Å
599L96.5Very high94.1Very high0 Ų031 Ų310%016%0.161CC..EExtended strand (participates in β ladder)trans-131.6122.9179.2166.158.8000110.9L446 W447 V448 I569 F580 F596 V601L446-L599 PolarHBondContact O-N 3.36Å; W447-L599 CarbonylContact C-O 3.52Å; W447-L599 WeakPolarHBondContact CA-O 3.34Å; W447-L599 HydrophobicContact CD2-CD2 3.76Å; W447-L599 HydrophobicContact CD2-CG 4.43Å; W447-L599 HydrophobicContact CE3-CD2 3.57Å; W447-L599 HydrophobicContact CE3-CG 4.32Å; W447-L599 HydrophobicContact CH2-CD2 3.54Å; W447-L599 HydrophobicContact CZ2-CD2 3.73Å; W447-L599 HydrophobicContact CZ3-CD2 3.46Å; W447-L599 VanDerWaalsContact CZ3-CD2 3.46Å; V448-L599 PolarHBondContact N-O 3.36Å; I569-L599 HydrophobicContact CD1-CB 4.47Å; I569-L599 HydrophobicContact CD1-CD1 3.75Å; I569-L599 HydrophobicContact CD1-CD2 4.42Å; I569-L599 HydrophobicContact CD1-CG 4.42Å; I569-L599 HydrophobicContact CG1-CB 4.03Å; I569-L599 HydrophobicContact CG1-CD1 3.63Å; I569-L599 HydrophobicContact CG1-CG 4.31Å; I569-L599 WeakPolarHBondContact O-CA 3.47Å; F580-L599 HydrophobicContact CD1-CD1 4.28Å; F580-L599 HydrophobicContact CD1-CD2 4.12Å; F580-L599 HydrophobicContact CD2-CD2 3.82Å; F580-L599 HydrophobicContact CE1-CD1 3.53Å; F580-L599 HydrophobicContact CE1-CD2 4.1Å; F580-L599 HydrophobicContact CE2-CD1 4.04Å; F580-L599 HydrophobicContact CE2-CD2 3.81Å; F580-L599 HydrophobicContact CE2-CG 4.47Å; F580-L599 HydrophobicContact CG-CD2 3.98Å; F580-L599 HydrophobicContact CZ-CD1 3.38Å; F580-L599 HydrophobicContact CZ-CD2 3.95Å; F580-L599 HydrophobicContact CZ-CG 4.26Å; F596-L599 HydrophobicContact CD2-CB 3.97Å; F596-L599 HydrophobicContact CE2-CB 3.59Å; F596-L599 HydrophobicContact CE2-CD2 3.94Å; F596-L599 HydrophobicContact CE2-CG 4.38Å; F596-L599 HydrophobicContact CZ-CB 4.24Å; F596-L599 HydrophobicContact CZ-CD2 3.78Å; L599-V601 HydrophobicContact CD1-CG2 4.18Å; L599-V601 HydrophobicContact CD2-CG2 4Å; L599-V601 HydrophobicContact CG-CG2 3.82Å
600I97.2Very high93.5Very high2 Ų232 Ų321%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-94.7123.7166.3-64.5173.4000109.1I75 I79 V448 F568 I569 A570 E571 Y727I75-I600 HydrophobicContact CD1-CG2 4.49Å; I75-I600 HydrophobicContact CG2-CB 4.32Å; I75-I600 HydrophobicContact CG2-CD1 3.94Å; I75-I600 HydrophobicContact CG2-CG2 4.02Å; I79-I600 HydrophobicContact CD1-CD1 4.07Å; I79-I600 HydrophobicContact CG1-CD1 3.99Å; V448-I600 HydrophobicContact CB-CG1 4.36Å; V448-I600 WeakPolarHBondContact O-CA 3.45Å; F568-I600 HydrophobicContact CE2-CB 4.14Å; F568-I600 HydrophobicContact CE2-CD1 3.7Å; F568-I600 HydrophobicContact CE2-CG1 3.81Å; F568-I600 HydrophobicContact CZ-CD1 4.17Å; I569-I600 PolarHBondContact O-N 2.95Å; I569-I600 VanDerWaalsContact O-N 3.09Å; A570-I600 VanDerWaalsContact CA-O 3.25Å; A570-I600 WeakPolarHBondContact CA-O 3.46Å; A570-I600 HydrophobicContact CB-CB 3.99Å; E571-I600 PolarHBondContact N-O 2.82Å; I600-Y727 HydrophobicContact CD1-CD1 4.13Å; I600-Y727 HydrophobicContact CG1-CD1 4.37Å
601V96.5Very high92.6Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-104.1113.9175.6-175.10000109.8W447 V448 V452 E571 I573 F580 L599 A647W447-V601 HydrophobicContact CE3-CG2 3.76Å; W447-V601 HydrophobicContact CZ3-CG2 3.98Å; V448-V601 PolarHBondContact O-N 3.22Å; V452-V601 HydrophobicContact CG1-CG1 4.29Å; V452-V601 HydrophobicContact CG1-CG2 4.16Å; E571-V601 WeakPolarHBondContact O-CA 3.42Å; I573-V601 VanDerWaalsContact CA-CG1 3.49Å; I573-V601 HydrophobicContact CB-CG1 3.86Å; I573-V601 HydrophobicContact CG1-CG1 4.21Å; F580-V601 HydrophobicContact CE2-CG2 3.99Å; F580-V601 HydrophobicContact CZ-CG2 4.49Å; L599-V601 HydrophobicContact CD1-CG2 4.18Å; L599-V601 HydrophobicContact CD2-CG2 4Å; L599-V601 HydrophobicContact CG-CG2 3.82Å; V601-A647 HydrophobicContact CG1-CB 4.37Å
602N95.8Very high91.6Very high5 Ų542.4 Ų42.43%0.02722%0.217CC..EExtended strand (participates in β ladder)trans-89.615517367.4-98.2000112.2L71 I75 E571 G572 I573 V644L71-N602 HydrophobicContact CD2-CB 3.94Å; L71-N602 HydrophobicContact CG-CB 4.29Å; I75-N602 HydrophobicContact CD1-CB 3.76Å; E571-N602 PolarHBondContact O-N 3.42Å; E571-N602 PolarHBondContact O-OD1 3.23Å; G572-N602 CarbonylContact C-O 3.55Å; G572-N602 WeakPolarHBondContact CA-O 3.38Å; G572-N602 PolarHBondContact N-OD1 3.23Å; I573-N602 PolarHBondContact N-O 3.21Å; N602-V644 CarbonylContact C-O 3.55Å; N602-V644 VanDerWaalsContact CA-O 3.26Å; N602-V644 WeakPolarHBondContact CA-O 3.27Å
603G93.3Very high90.7Very high2 Ų239.6 Ų39.62%0.02120%0.202CC..  trans-82.8-167.6176.200000112.2V644 Q648G603-V644 PolarHBondContact N-O 2.94Å; G603-Q648 VanDerWaalsContact CA-O 3.31Å; G603-Q648 WeakPolarHBondContact CA-O 3.39Å
604I89.9Confident89.3Confident64 Ų6438.6 Ų38.633%0.32820%0.202SC..  trans-100.8125.8-174.4-56.6176.2000109.4I573 L606 N649 L650I573-I604 HydrophobicContact CG2-CD1 4.07Å; I573-I604 HydrophobicContact CG2-CG1 3.79Å; I604-L606 HydrophobicContact CG2-CD2 3.85Å; I604-N649 VanDerWaalsContact O-CA 3.26Å; I604-N649 WeakPolarHBondContact O-CA 3.37Å; I604-L650 PolarHBondContact O-N 3.22Å; I604-L650 VanDerWaalsContact O-N 3.12Å
605V91.7Very high87.6Confident7 Ų742.6 Ų42.64%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-77.6128.7166.9-1700000108.1L71 M613 L639 V644 L650 F652L71-V605 HydrophobicContact CD2-CG2 3.87Å; V605-M613 HydrophobicContact CB-CE 3.61Å; V605-M613 HydrophobicContact CG1-CE 3.58Å; V605-M613 HydrophobicContact CG1-SD 4.46Å; V605-M613 WeakPolarHBondContact O-CE 3.3Å; V605-L639 HydrophobicContact CG2-CD2 4.48Å; V605-V644 HydrophobicContact CG2-CG1 4.33Å; V605-L650 HydrophobicContact CG1-CD2 4.48Å; V605-F652 HydrophobicContact CG1-CB 3.82Å; V605-F652 HydrophobicContact CG1-CD2 4.34Å
606L89.5Confident86Confident22 Ų2254.1 Ų54.112%0.11526%0.262CS..EExtended strand (participates in β ladder)trans-112163.3179.8-58.9175.3000109.6I604 N649 L650 F652I604-L606 HydrophobicContact CG2-CD2 3.85Å; L606-N649 HydrophobicContact CD1-CB 3.66Å; L606-N649 HydrophobicContact CG-CB 4.23Å; L606-L650 PolarHBondContact N-O 3.48Å; L606-F652 WeakPolarHBondContact O-CB 3.32Å; L606-F652 PolarHBondContact O-N 3.35Å
607A88Confident84.5Confident2 Ų256.6 Ų56.62%0.01728%0.283CS..  trans-63.5166167.200000110.6D609 G610 Q611 M613 N619A607-D609 VanDerWaalsContact CB-OD1 3.26Å; A607-D609 WeakPolarHBondContact CB-OD1 3.43Å; A607-D609 PolarHBondContact O-N 2.95Å; A607-G610 PolarHBondContact O-N 3.22Å; A607-Q611 PolarHBondContact N-O 3.15Å; A607-M613 HydrophobicContact CB-CG 4.15Å; A607-N619 HydrophobicContact CB-CB 4.12Å; A607-N619 WeakPolarHBondContact CB-ND2 3.39Å; A607-N619 WeakPolarHBondContact CB-O 3.37Å
608S86.5Confident83.5Confident83 Ų8360.4 Ų60.458%0.5830%0.302SS*.THydrogen-bonded Turntrans-59.1-28.4-178.354.60000113.1G610 F652S608-G610 VanDerWaalsContact C-N 3.32Å; S608-F652 WeakPolarHBondContact CA-O 3.48Å; S608-F652 WeakPolarHBondContact CB-O 3.15Å
609D85.1Confident82.7Confident86 Ų8660.6 Ų60.646%0.4630%0.303SS..THydrogen-bonded Turntrans-81-6175.867.4-4000114.1A607 Q611A607-D609 VanDerWaalsContact CB-OD1 3.26Å; A607-D609 WeakPolarHBondContact CB-OD1 3.43Å; A607-D609 PolarHBondContact O-N 2.95Å; D609-Q611 WeakPolarHBondContact OD1-CB 3.41Å; D609-Q611 PolarHBondContact OD1-N 3.1Å; D609-Q611 WeakPolarHBondContact OD2-CG 3.42Å; D609-Q611 PolarHBondContact OD2-NE2 3.04Å
610G83Confident82Confident24 Ų2462.5 Ų62.525%0.24731%0.311CS..SBendtrans84.93.6-176.700000115A607 S608A607-G610 PolarHBondContact O-N 3.22Å; S608-G610 VanDerWaalsContact C-N 3.32Å
611Q78.5Confident81.5Confident120 Ų12064.4 Ų64.456%0.56132%0.323SS*.SBendtrans-76.7159.4171.4-63.1-170.224.300111.5A607 D609 M613A607-Q611 PolarHBondContact N-O 3.15Å; D609-Q611 WeakPolarHBondContact OD1-CB 3.41Å; D609-Q611 PolarHBondContact OD1-N 3.1Å; D609-Q611 WeakPolarHBondContact OD2-CG 3.42Å; D609-Q611 PolarHBondContact OD2-NE2 3.04Å; Q611-M613 PolarHBondContact O-N 3.45Å
612K74.2Confident81.1Confident173 Ų17367.5 Ų67.575%0.75234%0.34SS*.BIsolated β-bridgetrans-63.5131.2172.7-171172.9-179177.80109.1S614 N619K612-S614 PolarHBondContact O-N 2.8Å; K612-N619 PolarHBondContact O-ND2 3.4Å
613M77.1Confident80.8Confident19 Ų1967.6 Ų67.69%0.09434%0.341CS..PPolyproline II helixtrans-64.9133.4174.8-71.9-169.5-68.600110.2Y67 V605 A607 Q611 N619 Y620Y67-M613 HydrophobicContact CD2-CE 4.29Å; Y67-M613 HydrophobicContact CD2-SD 3.84Å; V605-M613 HydrophobicContact CB-CE 3.61Å; V605-M613 HydrophobicContact CG1-CE 3.58Å; V605-M613 HydrophobicContact CG1-SD 4.46Å; V605-M613 WeakPolarHBondContact O-CE 3.3Å; A607-M613 HydrophobicContact CB-CG 4.15Å; Q611-M613 PolarHBondContact O-N 3.45Å; M613-N619 WeakPolarHBondContact CA-OD1 3.33Å; M613-Y620 HydrophobicContact CB-CD1 3.69Å; M613-Y620 HydrophobicContact CB-CE1 4.09Å; M613-Y620 HydrophobicContact CB-CG 4.36Å; M613-Y620 HydrophobicContact CG-CD1 3.92Å; M613-Y620 HydrophobicContact CG-CG 4.16Å; M613-Y620 VanDerWaalsContact SD-CB 3.56Å; M613-Y620 HydrophobicContact SD-CD1 4.02Å; M613-Y620 HydrophobicContact SD-CD2 4.3Å; M613-Y620 HydrophobicContact SD-CG 3.71Å
614S67.3Low80.6Confident46 Ų4669.9 Ų69.932%0.32235%0.354SS..  trans-148.8142.6169.675.10000111K612 R616 A617 K618 N619K612-S614 PolarHBondContact O-N 2.8Å; S614-R616 PolarHBondContact O-N 3.2Å; S614-A617 PolarHBondContact O-N 3.36Å; S614-A617 VanDerWaalsContact O-N 3.11Å; S614-A617 WeakPolarHBondContact OG-CB 3.42Å; S614-A617 PolarHBondContact OG-N 2.81Å; S614-A617 VanDerWaalsContact OG-N 3.1Å; S614-K618 PolarHBondContact O-N 3.1Å; S614-N619 PolarHBondContact N-OD1 2.84Å; S614-N619 PolarHBondContact O-OD1 3.48Å
615K61.2Low80.8Confident100 Ų10073.2 Ų73.244%0.43537%0.368SS..THydrogen-bonded Turntrans-56.3-36173.9-73.6-175.1173.3-166.70111.9A617 K618 Y620K615-A617 VanDerWaalsContact C-N 3.33Å; K615-A617 PolarHBondContact O-N 2.76Å; K615-K618 WeakPolarHBondContact O-CG 3.16Å; K615-K618 PolarHBondContact O-N 3.25Å; K615-Y620 VanDerWaalsContact CG-OH 3.27Å; K615-Y620 WeakPolarHBondContact CG-OH 3.37Å
616R62.8Low80.9Confident242 Ų24273 Ų7391%0.91337%0.367SS*.THydrogen-bonded Turntrans-63.5-38.1178.8-171.5178.1178-177-1112.1S614S614-R616 PolarHBondContact O-N 3.2Å
617A66.1Low81.2Confident55 Ų5572 Ų7246%0.45536%0.362SS..THydrogen-bonded Turntrans-81.4-13.817900000113.7S614 K615 N619S614-A617 PolarHBondContact O-N 3.36Å; S614-A617 VanDerWaalsContact O-N 3.11Å; S614-A617 WeakPolarHBondContact OG-CB 3.42Å; S614-A617 PolarHBondContact OG-N 2.81Å; S614-A617 VanDerWaalsContact OG-N 3.1Å; K615-A617 VanDerWaalsContact C-N 3.33Å; K615-A617 PolarHBondContact O-N 2.76Å; A617-N619 HydrophobicContact CB-CB 4.13Å; A617-N619 PolarHBondContact O-N 2.66Å; A617-N619 VanDerWaalsContact O-N 3.12Å
618K75.2Confident81.5Confident190 Ų19076.4 Ų76.483%0.82639%0.385SS*.THydrogen-bonded Turntrans47.338-175.1-62.9-174.5177.6-176.60112.8S614 K615S614-K618 PolarHBondContact O-N 3.1Å; K615-K618 WeakPolarHBondContact O-CG 3.16Å; K615-K618 PolarHBondContact O-N 3.25Å
619N80.6Confident81.9Confident31 Ų3179 Ų7917%0.16639%0.386CS..  trans-9917.1-17065.5-21.2000114.2A607 K612 M613 S614 A617A607-N619 HydrophobicContact CB-CB 4.12Å; A607-N619 WeakPolarHBondContact CB-ND2 3.39Å; A607-N619 WeakPolarHBondContact CB-O 3.37Å; K612-N619 PolarHBondContact O-ND2 3.4Å; M613-N619 WeakPolarHBondContact CA-OD1 3.33Å; S614-N619 PolarHBondContact N-OD1 2.84Å; S614-N619 PolarHBondContact O-OD1 3.48Å; A617-N619 HydrophobicContact CB-CB 4.13Å; A617-N619 PolarHBondContact O-N 2.66Å; A617-N619 VanDerWaalsContact O-N 3.12Å
620Y83Confident82.4Confident39 Ų3975.6 Ų75.615%0.15337%0.367CS..SBendtrans-145.5146.5175.164.7-87.6000110.6H66 Y67 M613 K615H66-Y620 HydrophobicContact CB-CE2 4.2Å; Y67-Y620 HydrophobicContact CD2-CD2 4.26Å; Y67-Y620 AromaticContact CE2-CD2 3.94Å; Y67-Y620 HydrophobicContact CE2-CD2 3.94Å; M613-Y620 HydrophobicContact CB-CD1 3.69Å; M613-Y620 HydrophobicContact CB-CE1 4.09Å; M613-Y620 HydrophobicContact CB-CG 4.36Å; M613-Y620 HydrophobicContact CG-CD1 3.92Å; M613-Y620 HydrophobicContact CG-CG 4.16Å; M613-Y620 VanDerWaalsContact SD-CB 3.56Å; M613-Y620 HydrophobicContact SD-CD1 4.02Å; M613-Y620 HydrophobicContact SD-CD2 4.3Å; M613-Y620 HydrophobicContact SD-CG 3.71Å; K615-Y620 VanDerWaalsContact CG-OH 3.27Å; K615-Y620 WeakPolarHBondContact CG-OH 3.37Å
621P85.4Confident83Confident43 Ų4374.4 Ų74.428%0.27936%0.355SS..  trans-69.3147177.927.1-31.7000110.8Y67 V626 F652Y67-P621 HydrophobicContact CE2-CG 4.38Å; Y67-P621 VanDerWaalsContact CE2-O 3.32Å; Y67-P621 WeakPolarHBondContact CE2-O 3.3Å; Y67-P621 PolarHBondContact OH-O 2.9Å; P621-V626 HydrophobicContact CB-CG2 4.03Å; P621-V626 HydrophobicContact CG-CG2 4.09Å; P621-F652 HydrophobicContact CG-CD1 4.19Å; P621-F652 HydrophobicContact CG-CE1 3.72Å
622D87.9Confident83.9Confident65 Ų6568.7 Ų68.735%0.34833%0.329SS..  trans-60127.4179.2-170.9-59.3000110V624 E625 V626D622-V624 VanDerWaalsContact C-N 3.27Å; D622-V624 PolarHBondContact O-N 3Å; D622-V624 WeakPolarHBondContact OD1-CB 3.5Å; D622-V624 PolarHBondContact OD1-N 2.82Å; D622-E625 HydrophobicContact CB-CB 4.16Å; D622-E625 HydrophobicContact CB-CG 3.9Å; D622-E625 PolarHBondContact O-N 3.27Å; D622-V626 PolarHBondContact O-N 3.05Å; D622-V626 VanDerWaalsContact O-N 3.13Å
623P90Very high85.1Confident6 Ų660.5 Ų60.54%0.03929%0.293CS..Hα-helixtrans-60.6-33.3-178.3-21.831.5000114.5Y67 L70 V626 I627Y67-P623 HydrophobicContact CE1-CB 3.98Å; Y67-P623 HydrophobicContact CE1-CG 4.17Å; Y67-P623 HydrophobicContact CE2-CG 4.33Å; L70-P623 HydrophobicContact CD1-CB 3.5Å; L70-P623 HydrophobicContact CD1-CG 4.17Å; P623-V626 PolarHBondContact O-N 2.7Å; P623-I627 WeakPolarHBondContact O-CD1 3.26Å; P623-I627 WeakPolarHBondContact O-CG1 3.43Å; P623-I627 PolarHBondContact O-N 3.25Å
624V90.5Very high86Confident51 Ų5159.6 Ų59.631%0.30929%0.288SS..Hα-helixtrans-68.8-38.7178.4179.70000110.4V145 D622 I627 N628V145-V624 HydrophobicContact CG1-CG2 4.31Å; V145-V624 HydrophobicContact CG2-CG2 3.73Å; D622-V624 VanDerWaalsContact C-N 3.27Å; D622-V624 PolarHBondContact O-N 3Å; D622-V624 WeakPolarHBondContact OD1-CB 3.5Å; D622-V624 PolarHBondContact OD1-N 2.82Å; V624-I627 PolarHBondContact O-N 2.62Å; V624-N628 WeakPolarHBondContact O-CB 3.44Å; V624-N628 PolarHBondContact O-N 3.15Å; V624-N628 PolarHBondContact O-ND2 3.16Å
625E92.4Very high87.5Confident134 Ų13457.4 Ų57.463%0.62627%0.273SS*.Hα-helixtrans-62.9-44.2175-68.9-178.7172.400111.5D622 I627 N628 K629D622-E625 HydrophobicContact CB-CB 4.16Å; D622-E625 HydrophobicContact CB-CG 3.9Å; D622-E625 PolarHBondContact O-N 3.27Å; E625-I627 PolarHBondContact O-N 3.2Å; E625-N628 PolarHBondContact O-N 3.35Å; E625-K629 WeakPolarHBondContact O-CB 3.31Å; E625-K629 PolarHBondContact O-N 3.12Å
626V94.5Very high89.2Confident2 Ų252.6 Ų52.61%0.01225%0.252CS..Hα-helixtrans-62.3-43.3176.71740000111.3Y67 P621 D622 P623 K629 H630 L635 E654 V657Y67-V626 VanDerWaalsContact OH-CG2 3.24Å; Y67-V626 WeakPolarHBondContact OH-CG2 3.21Å; P621-V626 HydrophobicContact CB-CG2 4.03Å; P621-V626 HydrophobicContact CG-CG2 4.09Å; D622-V626 PolarHBondContact O-N 3.05Å; D622-V626 VanDerWaalsContact O-N 3.13Å; P623-V626 PolarHBondContact O-N 2.7Å; V626-K629 PolarHBondContact O-N 3.34Å; V626-H630 PolarHBondContact O-N 2.77Å; V626-L635 HydrophobicContact CG1-CD1 4.48Å; V626-E654 HydrophobicContact CG2-CG 4.25Å; V626-V657 HydrophobicContact CG1-CG1 4.32Å; V626-V657 HydrophobicContact CG1-CG2 4.31Å
627I95.2Very high90.8Very high0 Ų041.1 Ų41.10%021%0.209CC..Hα-helixtrans-64.6-41.8177.3-68.2164.3000111.2R148 L149 P623 V624 E625 K629 G631 A632 L635R148-I627 HydrophobicContact CG-CG2 3.72Å; L149-I627 HydrophobicContact CD1-CD1 4.32Å; P623-I627 WeakPolarHBondContact O-CD1 3.26Å; P623-I627 WeakPolarHBondContact O-CG1 3.43Å; P623-I627 PolarHBondContact O-N 3.25Å; V624-I627 PolarHBondContact O-N 2.62Å; E625-I627 PolarHBondContact O-N 3.2Å; I627-K629 PolarHBondContact O-N 2.84Å; I627-G631 WeakPolarHBondContact O-CA 3.12Å; I627-G631 PolarHBondContact O-N 3.13Å; I627-A632 HydrophobicContact CG2-CB 4.01Å; I627-L635 HydrophobicContact CD1-CD2 4.03Å; I627-L635 HydrophobicContact CG1-CD2 3.62Å
628N94.4Very high92.2Very high96 Ų9639.8 Ų39.851%0.51319%0.192SC..Hα-helixtrans-68.2-26.1178.4-71.3-18.7000112.7P23 V624 E625P23-N628 WeakPolarHBondContact CB-O 3.36Å; P23-N628 WeakPolarHBondContact CG-O 3.25Å; V624-N628 WeakPolarHBondContact O-CB 3.44Å; V624-N628 PolarHBondContact O-N 3.15Å; V624-N628 PolarHBondContact O-ND2 3.16Å; E625-N628 PolarHBondContact O-N 3.35Å
629K94.9Very high93.2Very high136 Ų13630.8 Ų30.859%0.59115%0.153SC*.Hα-helixtrans-87-41-179.9-173.3175173.1-1700113.7E625 V626 I627 E654E625-K629 WeakPolarHBondContact O-CB 3.31Å; E625-K629 PolarHBondContact O-N 3.12Å; V626-K629 PolarHBondContact O-N 3.34Å; I627-K629 PolarHBondContact O-N 2.84Å; K629-E654 WeakPolarHBondContact CD-OE1 3.35Å; K629-E654 WeakPolarHBondContact CE-OE1 3.31Å; K629-E654 IonicContact NZ-OE1 3.68Å; K629-E654 PolarHBondContact NZ-OE1 2.95Å
630H95.9Very high93.9Very high15 Ų1529.3 Ų29.37%0.06915%0.145CC..Hα-helixtrans-116.5-29.3-173.1-57.5-75000113.7V626 P634 E654 V657 H658 V661V626-H630 PolarHBondContact O-N 2.77Å; H630-P634 WeakPolarHBondContact O-CG 3.41Å; H630-E654 IonicContact CD2-OE1 2.64Å; H630-E654 IonicContact CE1-OE1 2.74Å; H630-E654 IonicContact NE2-OE1 3.81Å; H630-E654 PolarHBondContact NE2-OE1 3.48Å; H630-V657 HydrophobicContact CB-CG1 3.8Å; H630-H658 AromaticContact CE1-ND1 3.73Å; H630-H658 AromaticContact ND1-ND1 3.65Å; H630-V661 HydrophobicContact CB-CG2 4.19Å
631G96.4Very high94.4Very high0 Ų030.2 Ų30.20%015%0.153CC..  trans114.4158.3-175.300000113E26 I627 L635E26-G631 WeakPolarHBondContact OE2-CA 3.32Å; I627-G631 WeakPolarHBondContact O-CA 3.12Å; I627-G631 PolarHBondContact O-N 3.13Å; G631-L635 PolarHBondContact O-N 3.5Å
632A97.7Very high94.7Very high0 Ų028.9 Ų28.90%015%0.145CC..Hα-helixtrans-73.5-41.9174.200000111.6E26 R148 L149 I627 L635 R636 F790E26-A632 PolarHBondContact OE1-N 2.91Å; E26-A632 WeakPolarHBondContact OE2-CB 3.21Å; E26-A632 PolarHBondContact OE2-N 3.1Å; R148-A632 WeakPolarHBondContact O-CB 3.3Å; L149-A632 HydrophobicContact CD1-CB 4.5Å; I627-A632 HydrophobicContact CG2-CB 4.01Å; A632-L635 PolarHBondContact O-N 3.23Å; A632-R636 WeakPolarHBondContact O-CB 3.4Å; A632-R636 VanDerWaalsContact O-CG 3.23Å; A632-R636 WeakPolarHBondContact O-CG 3.39Å; A632-R636 PolarHBondContact O-N 2.87Å; A632-F790 HydrophobicContact CB-CD2 4.1Å; A632-F790 HydrophobicContact CB-CE2 3.7Å
633D97.9Very high94.9Very high0 Ų028.5 Ų28.50%015%0.145CC..Hα-helixtrans-63-44.1-179.9-82.5-4.1000112.5E26 L635 R636 L637 F665 T788 P789 F790 I791E26-D633 PolarHBondContact OE1-N 3.45Å; D633-L635 VanDerWaalsContact C-N 3.35Å; D633-L635 PolarHBondContact O-N 3.22Å; D633-R636 PolarHBondContact O-N 2.67Å; D633-L637 WeakPolarHBondContact O-CB 3.46Å; D633-L637 PolarHBondContact O-N 3.01Å; D633-F665 HydrophobicContact CB-CE1 3.54Å; D633-F665 HydrophobicContact CB-CZ 3.61Å; D633-T788 HydrophobicContact CB-CG2 4.18Å; D633-T788 VanDerWaalsContact CG-CA 3.43Å; D633-T788 WeakPolarHBondContact OD1-CA 3.43Å; D633-T788 WeakPolarHBondContact OD2-CA 3.5Å; D633-T788 WeakPolarHBondContact OD2-CB 3.48Å; D633-P789 WeakPolarHBondContact OD1-CD 3.39Å; D633-F790 WeakPolarHBondContact OD1-CD2 3.42Å; D633-F790 WeakPolarHBondContact OD2-CA 3.44Å; D633-F790 WeakPolarHBondContact OD2-CB 3.4Å; D633-F790 PolarHBondContact OD2-N 3.11Å; D633-I791 PolarHBondContact OD2-N 3.27Å
634P97.2Very high95Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-60-41171.4-28.237.5000113.5I22 H630 L637 Y638 V657 I660 V661 F665I22-P634 HydrophobicContact CG2-CG 4.32Å; H630-P634 WeakPolarHBondContact O-CG 3.41Å; P634-L637 PolarHBondContact O-N 3.44Å; P634-Y638 VanDerWaalsContact O-CB 3.28Å; P634-Y638 WeakPolarHBondContact O-CB 3.26Å; P634-Y638 PolarHBondContact O-N 3.36Å; P634-V657 HydrophobicContact CB-CG1 3.98Å; P634-I660 HydrophobicContact CB-CG2 4.15Å; P634-V661 HydrophobicContact CB-CG2 3.61Å; P634-V661 HydrophobicContact CG-CG2 3.51Å; P634-F665 HydrophobicContact CB-CD2 4.46Å; P634-F665 HydrophobicContact CB-CE2 4.14Å; P634-F665 HydrophobicContact CG-CD2 3.94Å; P634-F665 HydrophobicContact CG-CE2 3.82Å; P634-F665 HydrophobicContact CG-CG 4.39Å; P634-F665 HydrophobicContact CG-CZ 4.15Å
635L97.3Very high95.1Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-64.8-45.6176.7177.261000111.5Y67 L70 L149 V626 I627 G631 A632 D633 L637 Y638 L639 F652 V657Y67-L635 HydrophobicContact CD1-CD1 4.06Å; Y67-L635 HydrophobicContact CD1-CD2 4.49Å; Y67-L635 HydrophobicContact CE1-CD1 3.91Å; Y67-L635 HydrophobicContact CE1-CD2 4.19Å; L70-L635 HydrophobicContact CD1-CD2 4.02Å; L149-L635 HydrophobicContact CD1-CD2 4.43Å; V626-L635 HydrophobicContact CG1-CD1 4.48Å; I627-L635 HydrophobicContact CD1-CD2 4.03Å; I627-L635 HydrophobicContact CG1-CD2 3.62Å; G631-L635 PolarHBondContact O-N 3.5Å; A632-L635 PolarHBondContact O-N 3.23Å; D633-L635 VanDerWaalsContact C-N 3.35Å; D633-L635 PolarHBondContact O-N 3.22Å; L635-L637 PolarHBondContact O-N 3.43Å; L635-Y638 PolarHBondContact O-N 2.97Å; L635-L639 HydrophobicContact CD1-CD1 4.12Å; L635-L639 HydrophobicContact CD1-CG 4.19Å; L635-L639 HydrophobicContact CG-CD1 4.18Å; L635-L639 VanDerWaalsContact O-CG 3.31Å; L635-L639 WeakPolarHBondContact O-CG 3.46Å; L635-L639 PolarHBondContact O-N 2.74Å; L635-F652 HydrophobicContact CD1-CE2 3.8Å; L635-F652 HydrophobicContact CD1-CZ 4.09Å; L635-V657 HydrophobicContact CB-CG1 4.47Å; L635-V657 HydrophobicContact CD1-CG2 4.11Å
636R97.6Very high95.1Very high0 Ų025.6 Ų25.60%012%0.123CC..Hα-helixtrans-55.9-52.4175.5-73.1170.569.6109.62.1110.1T74 D77 L149 A632 D633 Y638 L639 I640 P786 F787T74-R636 HydrophobicContact CG2-CB 3.81Å; T74-R636 HydrophobicContact CG2-CG 3.82Å; D77-R636 IonicContact OD2-CZ 2.76Å; D77-R636 VanDerWaalsContact OD2-CZ 3.26Å; D77-R636 IonicContact OD2-NH1 3.23Å; D77-R636 PolarHBondContact OD2-NH1 2.9Å; D77-R636 IonicContact OD2-NH2 3.33Å; D77-R636 PolarHBondContact OD2-NH2 3.17Å; L149-R636 HydrophobicContact CD1-CG 3.94Å; L149-R636 HydrophobicContact CG-CG 4.34Å; L149-R636 PolarHBondContact O-NH1 2.85Å; A632-R636 WeakPolarHBondContact O-CB 3.4Å; A632-R636 VanDerWaalsContact O-CG 3.23Å; A632-R636 WeakPolarHBondContact O-CG 3.39Å; A632-R636 PolarHBondContact O-N 2.87Å; D633-R636 PolarHBondContact O-N 2.67Å; R636-Y638 PolarHBondContact O-N 3.37Å; R636-L639 PolarHBondContact O-N 3.15Å; R636-I640 WeakPolarHBondContact O-CG1 3.44Å; R636-I640 PolarHBondContact O-N 3.42Å; R636-I640 VanDerWaalsContact O-N 3.1Å; R636-P786 PolarHBondContact NH2-O 3.11Å; R636-F787 PolarHBondContact NE-O 3.18Å
637L96.2Very high95Very high0 Ų026 Ų260%013%0.126CC..Hα-helixtrans-64.9-39.7-177-166.163.3000111.9D633 P634 L635 L639 I640 N641 I660 V664 F665 V733 V737 T788D633-L637 WeakPolarHBondContact O-CB 3.46Å; D633-L637 PolarHBondContact O-N 3.01Å; P634-L637 PolarHBondContact O-N 3.44Å; L635-L637 PolarHBondContact O-N 3.43Å; L637-L639 PolarHBondContact O-N 3.41Å; L637-I640 HydrophobicContact CD1-CD1 4.16Å; L637-I640 HydrophobicContact CD1-CG1 4.35Å; L637-N641 WeakPolarHBondContact O-CB 3.36Å; L637-N641 PolarHBondContact O-N 3.34Å; L637-I660 HydrophobicContact CB-CG2 4.11Å; L637-I660 HydrophobicContact CD2-CG2 3.91Å; L637-I660 HydrophobicContact CG-CG2 4.3Å; L637-V664 HydrophobicContact CD2-CB 4.46Å; L637-V664 HydrophobicContact CD2-CG1 4.06Å; L637-V664 HydrophobicContact CD2-CG2 4.45Å; L637-F665 HydrophobicContact CB-CE2 4.44Å; L637-F665 HydrophobicContact CD2-CE2 3.81Å; L637-F665 HydrophobicContact CD2-CZ 4.17Å; L637-V733 HydrophobicContact CD1-CG1 3.55Å; L637-V733 HydrophobicContact CG-CG1 4.48Å; L637-V737 HydrophobicContact CD1-CG2 4.4Å; L637-V737 HydrophobicContact CD2-CG2 4.09Å; L637-V737 HydrophobicContact CG-CG2 4.43Å; L637-T788 HydrophobicContact CB-CG2 4.46Å; L637-T788 HydrophobicContact CD2-CG2 4.45Å
638Y95.9Very high94.9Very high28 Ų2830.8 Ų30.811%0.1115%0.148CC..Hα-helixtrans-58.9-46.7173.6171.1-106.6000112.3P634 L635 R636 L650 F652 S653 V657P634-Y638 VanDerWaalsContact O-CB 3.28Å; P634-Y638 WeakPolarHBondContact O-CB 3.26Å; P634-Y638 PolarHBondContact O-N 3.36Å; L635-Y638 PolarHBondContact O-N 2.97Å; R636-Y638 PolarHBondContact O-N 3.37Å; Y638-L650 HydrophobicContact CE1-CD2 3.98Å; Y638-F652 HydrophobicContact CD1-CD2 4.38Å; Y638-F652 HydrophobicContact CD1-CE2 4.01Å; Y638-F652 AromaticContact CE1-CD2 3.65Å; Y638-F652 HydrophobicContact CE1-CD2 3.65Å; Y638-F652 AromaticContact CE1-CE2 3.66Å; Y638-F652 HydrophobicContact CE1-CE2 3.66Å; Y638-F652 HydrophobicContact CE1-CG 4.49Å; Y638-S653 PolarHBondContact OH-N 3.21Å; Y638-S653 VanDerWaalsContact OH-N 3.13Å; Y638-V657 HydrophobicContact CD1-CG2 3.76Å; Y638-V657 HydrophobicContact CE1-CG2 4.29Å; Y638-V657 HydrophobicContact CG-CG2 3.94Å
639L95.7Very high94.8Very high0 Ų030.8 Ų30.80%015%0.148CC..Hα-helixtrans-64.8-45.5-178.3-71.7173.6000111.9L70 L71 V605 L635 R636 L637 S642 V644 L650 F652L70-L639 HydrophobicContact CB-CD1 4.3Å; L71-L639 HydrophobicContact CB-CD1 4.37Å; L71-L639 HydrophobicContact CD1-CB 4.04Å; V605-L639 HydrophobicContact CG2-CD2 4.48Å; L635-L639 HydrophobicContact CD1-CD1 4.12Å; L635-L639 HydrophobicContact CD1-CG 4.19Å; L635-L639 HydrophobicContact CG-CD1 4.18Å; L635-L639 VanDerWaalsContact O-CG 3.31Å; L635-L639 WeakPolarHBondContact O-CG 3.46Å; L635-L639 PolarHBondContact O-N 2.74Å; R636-L639 PolarHBondContact O-N 3.15Å; L637-L639 PolarHBondContact O-N 3.41Å; L639-S642 PolarHBondContact O-OG 3.33Å; L639-V644 VanDerWaalsContact O-CG2 3.24Å; L639-V644 WeakPolarHBondContact O-CG2 3.28Å; L639-L650 HydrophobicContact CD2-CD2 4.16Å; L639-F652 HydrophobicContact CD2-CD2 4.35Å; L639-F652 HydrophobicContact CD2-CE2 4.43Å
640I95.1Very high94.7Very high1 Ų125.1 Ų25.11%0.00513%0.125CC..Hα-helixtrans-80.3-20.7-178.167.5-177.9000113.6T74 I78 R636 L637 S642 V645 L729 V733 F787T74-I640 HydrophobicContact CG2-CG2 3.77Å; I78-I640 HydrophobicContact CD1-CD1 3.57Å; I78-I640 HydrophobicContact CD1-CG2 3.92Å; R636-I640 WeakPolarHBondContact O-CG1 3.44Å; R636-I640 PolarHBondContact O-N 3.42Å; R636-I640 VanDerWaalsContact O-N 3.1Å; L637-I640 HydrophobicContact CD1-CD1 4.16Å; L637-I640 HydrophobicContact CD1-CG1 4.35Å; I640-S642 PolarHBondContact O-N 2.94Å; I640-V645 HydrophobicContact CB-CG1 4.3Å; I640-V645 HydrophobicContact CG2-CG1 4.47Å; I640-V645 VanDerWaalsContact O-CG2 3.27Å; I640-V645 WeakPolarHBondContact O-CG2 3.34Å; I640-L729 HydrophobicContact CB-CD2 4.26Å; I640-L729 HydrophobicContact CG2-CD2 4.12Å; I640-V733 HydrophobicContact CB-CG2 4.3Å; I640-V733 HydrophobicContact CD1-CG2 3.78Å; I640-V733 HydrophobicContact CG1-CG1 4.15Å; I640-V733 HydrophobicContact CG1-CG2 3.77Å; I640-F787 HydrophobicContact CD1-CB 4.46Å; I640-F787 HydrophobicContact CD1-CD1 3.74Å
641N93.5Very high94.6Very high58 Ų5832.2 Ų32.231%0.3115%0.151SC..THydrogen-bonded Turntrans-85.431.6172.8-16328.6000112.4L637 V733L637-N641 WeakPolarHBondContact O-CB 3.36Å; L637-N641 PolarHBondContact O-N 3.34Å; N641-V733 HydrophobicContact CB-CG1 3.58Å
642S92.4Very high94.5Very high15 Ų1532.4 Ų32.411%0.10515%0.152CC..SBendtrans-135166.1-174.183.20000112.2L639 I640 V644 V645L639-S642 PolarHBondContact O-OG 3.33Å; I640-S642 PolarHBondContact O-N 2.94Å; S642-V644 PolarHBondContact O-N 2.98Å; S642-V644 WeakPolarHBondContact OG-CG2 3.25Å; S642-V645 WeakPolarHBondContact O-CG2 3.29Å; S642-V645 PolarHBondContact O-N 3.27Å
643P91.4Very high94.1Very high56 Ų5634.6 Ų34.636%0.36417%0.167SC..G310 helixtrans-60.8-14.2-177.1-24.535.1000114.9V645 R646 Q648P643-V645 VanDerWaalsContact C-N 3.27Å; P643-V645 PolarHBondContact O-N 3.1Å; P643-R646 CarbonylContact O-C 3.52Å; P643-R646 WeakPolarHBondContact O-CA 3.34Å; P643-R646 WeakPolarHBondContact O-CB 3.43Å; P643-R646 PolarHBondContact O-N 3.38Å; P643-Q648 HydrophobicContact CB-CB 3.83Å; P643-Q648 WeakPolarHBondContact O-CB 3.25Å; P643-Q648 PolarHBondContact O-N 2.91Å
644V92.6Very high93.9Very high0 Ų037.2 Ų37.20%018%0.179CC..G310 helixtrans-62.6-29.7179.7-66.40000113.8L71 N602 G603 V605 L639 S642 R646 A647 Q648 L650L71-V644 HydrophobicContact CD1-CG2 3.69Å; L71-V644 HydrophobicContact CD2-CB 3.67Å; L71-V644 HydrophobicContact CD2-CG1 4.29Å; L71-V644 HydrophobicContact CD2-CG2 3.44Å; L71-V644 VanDerWaalsContact CD2-CG2 3.44Å; L71-V644 HydrophobicContact CG-CG2 4.23Å; N602-V644 CarbonylContact C-O 3.55Å; N602-V644 VanDerWaalsContact CA-O 3.26Å; N602-V644 WeakPolarHBondContact CA-O 3.27Å; G603-V644 PolarHBondContact N-O 2.94Å; V605-V644 HydrophobicContact CG2-CG1 4.33Å; L639-V644 VanDerWaalsContact O-CG2 3.24Å; L639-V644 WeakPolarHBondContact O-CG2 3.28Å; S642-V644 PolarHBondContact O-N 2.98Å; S642-V644 WeakPolarHBondContact OG-CG2 3.25Å; V644-R646 PolarHBondContact O-N 3.08Å; V644-R646 VanDerWaalsContact O-N 3.12Å; V644-A647 PolarHBondContact O-N 3.21Å; V644-A647 VanDerWaalsContact O-N 3.15Å; V644-Q648 VanDerWaalsContact CA-O 3.27Å; V644-Q648 WeakPolarHBondContact CA-O 3.48Å; V644-Q648 WeakPolarHBondContact CG1-O 3.3Å; V644-L650 HydrophobicContact CG1-CB 3.24Å; V644-L650 HydrophobicContact CG1-CD2 4.46Å; V644-L650 HydrophobicContact CG1-CG 4.48Å
645V92.9Very high93.7Very high4 Ų440.4 Ų40.42%0.02420%0.202CC..G310 helixtrans-72.81.2173.5-68.80000112.9L71 I75 I640 S642 P643 L729 Y730L71-V645 HydrophobicContact CD1-CG1 4.48Å; I75-V645 HydrophobicContact CD1-CG1 4.1Å; I75-V645 HydrophobicContact CG1-CG1 4.42Å; I640-V645 HydrophobicContact CB-CG1 4.3Å; I640-V645 HydrophobicContact CG2-CG1 4.47Å; I640-V645 VanDerWaalsContact O-CG2 3.27Å; I640-V645 WeakPolarHBondContact O-CG2 3.34Å; S642-V645 WeakPolarHBondContact O-CG2 3.29Å; S642-V645 PolarHBondContact O-N 3.27Å; P643-V645 VanDerWaalsContact C-N 3.27Å; P643-V645 PolarHBondContact O-N 3.1Å; V645-L729 HydrophobicContact CG1-CD2 4.12Å; V645-Y730 VanDerWaalsContact CG2-CB 3.48Å
646R92.4Very high93.5Very high127 Ų12740.9 Ų40.948%0.47921%0.206SC..G310 helixtrans-116.127.5171.4-58.3179.771.3-179.81.1112P643 V644 Q648 Y730P643-R646 CarbonylContact O-C 3.52Å; P643-R646 WeakPolarHBondContact O-CA 3.34Å; P643-R646 WeakPolarHBondContact O-CB 3.43Å; P643-R646 PolarHBondContact O-N 3.38Å; V644-R646 PolarHBondContact O-N 3.08Å; V644-R646 VanDerWaalsContact O-N 3.12Å; R646-Q648 PolarHBondContact O-N 3.45Å; R646-Y730 VanDerWaalsContact CG-CB 3.47Å; R646-Y730 HydrophobicContact CG-CD1 3.8Å; R646-Y730 HydrophobicContact CG-CD2 3.8Å; R646-Y730 HydrophobicContact CG-CG 3.41Å; R646-Y730 VanDerWaalsContact CG-CG 3.41Å
647A92.6Very high93.4Very high9 Ų940.9 Ų40.97%0.07421%0.206CC..THydrogen-bonded Turntrans59.124.1-178.500000115.2P449 F451 V452 I573 V601 V644P449-A647 HydrophobicContact CG-CB 3.71Å; F451-A647 HydrophobicContact CZ-CB 4Å; V452-A647 HydrophobicContact CG2-CB 3.98Å; I573-A647 HydrophobicContact CD1-CB 4.31Å; V601-A647 HydrophobicContact CG1-CB 4.37Å; V644-A647 PolarHBondContact O-N 3.21Å; V644-A647 VanDerWaalsContact O-N 3.15Å
648Q92.7Very high93.3Very high101 Ų10145.7 Ų45.747%0.47223%0.228SC..  trans-104.6167.8176.6-59.5-178.67.400112.2G603 P643 V644 R646G603-Q648 VanDerWaalsContact CA-O 3.31Å; G603-Q648 WeakPolarHBondContact CA-O 3.39Å; P643-Q648 HydrophobicContact CB-CB 3.83Å; P643-Q648 WeakPolarHBondContact O-CB 3.25Å; P643-Q648 PolarHBondContact O-N 2.91Å; V644-Q648 VanDerWaalsContact CA-O 3.27Å; V644-Q648 WeakPolarHBondContact CA-O 3.48Å; V644-Q648 WeakPolarHBondContact CG1-O 3.3Å; R646-Q648 PolarHBondContact O-N 3.45Å
649N92.4Very high93.2Very high96 Ų9649.7 Ų49.751%0.51325%0.248SC..  trans-81.7143.1179.8-63.4-17.7000111.9I604 L606I604-N649 VanDerWaalsContact O-CA 3.26Å; I604-N649 WeakPolarHBondContact O-CA 3.37Å; L606-N649 HydrophobicContact CD1-CB 3.66Å; L606-N649 HydrophobicContact CG-CB 4.23Å
650L93.4Very high93.1Very high17 Ų1750.5 Ų50.59%0.08925%0.252CS..EExtended strand (participates in β ladder)trans-113.8130.8167.716967.2000109.2I604 V605 L606 Y638 L639 V644 F652I604-L650 PolarHBondContact O-N 3.22Å; I604-L650 VanDerWaalsContact O-N 3.12Å; V605-L650 HydrophobicContact CG1-CD2 4.48Å; L606-L650 PolarHBondContact N-O 3.48Å; Y638-L650 HydrophobicContact CE1-CD2 3.98Å; L639-L650 HydrophobicContact CD2-CD2 4.16Å; V644-L650 HydrophobicContact CG1-CB 3.24Å; V644-L650 HydrophobicContact CG1-CD2 4.46Å; V644-L650 HydrophobicContact CG1-CG 4.48Å; L650-F652 PolarHBondContact O-N 3.13Å
651R93.1Very high93.1Very high164 Ų16451.3 Ų51.362%0.61926%0.257SS*.EExtended strand (participates in β ladder)trans-85.3108.8164.7-63.8-177.7-175.1177.3-0.9108.3S653R651-S653 PolarHBondContact O-N 3.28Å
652F93.6Very high93Very high5 Ų554.7 Ų54.72%0.02227%0.269CS..  trans-67.9130.1-176.4-175.3-87.7000110.9Y67 V605 L606 S608 P621 L635 Y638 L639 L650 V657Y67-F652 AromaticContact CD1-CD2 3.96Å; Y67-F652 HydrophobicContact CD1-CD2 3.96Å; Y67-F652 AromaticContact CD1-CE2 3.47Å; Y67-F652 HydrophobicContact CD1-CE2 3.47Å; Y67-F652 VanDerWaalsContact CD1-CE2 3.47Å; Y67-F652 AromaticContact CD1-CZ 3.85Å; Y67-F652 HydrophobicContact CD1-CZ 3.85Å; Y67-F652 HydrophobicContact CD2-CD1 4.19Å; Y67-F652 HydrophobicContact CD2-CD2 4.02Å; Y67-F652 HydrophobicContact CD2-CE1 4.35Å; Y67-F652 HydrophobicContact CD2-CE2 4.19Å; Y67-F652 HydrophobicContact CD2-CG 4.04Å; Y67-F652 HydrophobicContact CD2-CZ 4.35Å; Y67-F652 HydrophobicContact CE1-CD2 4.25Å; Y67-F652 AromaticContact CE1-CE1 3.99Å; Y67-F652 HydrophobicContact CE1-CE1 3.99Å; Y67-F652 AromaticContact CE1-CE2 3.46Å; Y67-F652 HydrophobicContact CE1-CE2 3.46Å; Y67-F652 VanDerWaalsContact CE1-CE2 3.46Å; Y67-F652 AromaticContact CE1-CZ 3.3Å; Y67-F652 HydrophobicContact CE1-CZ 3.3Å; Y67-F652 AromaticContact CE2-CD1 3.85Å; Y67-F652 HydrophobicContact CE2-CD1 3.85Å; Y67-F652 HydrophobicContact CE2-CD2 4.32Å; Y67-F652 AromaticContact CE2-CE1 3.7Å; Y67-F652 HydrophobicContact CE2-CE1 3.7Å; Y67-F652 HydrophobicContact CE2-CE2 4.18Å; Y67-F652 HydrophobicContact CE2-CG 4.17Å; Y67-F652 AromaticContact CE2-CZ 3.88Å; Y67-F652 HydrophobicContact CE2-CZ 3.88Å; Y67-F652 AromaticContact CG-CD2 3.85Å; Y67-F652 HydrophobicContact CG-CD2 3.85Å; Y67-F652 AromaticContact CG-CE2 3.86Å; Y67-F652 HydrophobicContact CG-CE2 3.86Å; Y67-F652 HydrophobicContact CG-CG 4.34Å; Y67-F652 HydrophobicContact CG-CZ 4.35Å; Y67-F652 AromaticContact CZ-CE1 3.5Å; Y67-F652 VanDerWaalsContact CZ-CE1 3.5Å; Y67-F652 AromaticContact CZ-CE2 3.84Å; Y67-F652 AromaticContact CZ-CZ 3.33Å; V605-F652 HydrophobicContact CG1-CB 3.82Å; V605-F652 HydrophobicContact CG1-CD2 4.34Å; L606-F652 WeakPolarHBondContact O-CB 3.32Å; L606-F652 PolarHBondContact O-N 3.35Å; S608-F652 WeakPolarHBondContact CA-O 3.48Å; S608-F652 WeakPolarHBondContact CB-O 3.15Å; P621-F652 HydrophobicContact CG-CD1 4.19Å; P621-F652 HydrophobicContact CG-CE1 3.72Å; L635-F652 HydrophobicContact CD1-CE2 3.8Å; L635-F652 HydrophobicContact CD1-CZ 4.09Å; Y638-F652 HydrophobicContact CD1-CD2 4.38Å; Y638-F652 HydrophobicContact CD1-CE2 4.01Å; Y638-F652 AromaticContact CE1-CD2 3.65Å; Y638-F652 HydrophobicContact CE1-CD2 3.65Å; Y638-F652 AromaticContact CE1-CE2 3.66Å; Y638-F652 HydrophobicContact CE1-CE2 3.66Å; Y638-F652 HydrophobicContact CE1-CG 4.49Å; L639-F652 HydrophobicContact CD2-CD2 4.35Å; L639-F652 HydrophobicContact CD2-CE2 4.43Å; L650-F652 PolarHBondContact O-N 3.13Å; F652-V657 HydrophobicContact CE2-CG2 4.42Å; F652-V657 HydrophobicContact CZ-CG2 4.11Å
653S91Very high92.9Very high45 Ų4558.6 Ų58.632%0.31529%0.289SS..  trans-134.6128.8171.3-175.60000110.5Y638 R651 S655 G656Y638-S653 PolarHBondContact OH-N 3.21Å; Y638-S653 VanDerWaalsContact OH-N 3.13Å; R651-S653 PolarHBondContact O-N 3.28Å; S653-S655 PolarHBondContact O-N 3.23Å; S653-S655 PolarHBondContact OG-N 2.97Å; S653-S655 PolarHBondContact OG-OG 3.02Å; S653-G656 PolarHBondContact O-N 3.41Å; S653-G656 VanDerWaalsContact O-N 3.11Å
654E92.7Very high93Very high56 Ų5656 Ų5626%0.26227%0.272SS..Hα-helixtrans-59.8-31.8175.2-168.3-166.8145.800111.9V626 K629 H630 G656 V657 H658V626-E654 HydrophobicContact CG2-CG 4.25Å; K629-E654 WeakPolarHBondContact CD-OE1 3.35Å; K629-E654 WeakPolarHBondContact CE-OE1 3.31Å; K629-E654 IonicContact NZ-OE1 3.68Å; K629-E654 PolarHBondContact NZ-OE1 2.95Å; H630-E654 IonicContact CD2-OE1 2.64Å; H630-E654 IonicContact CE1-OE1 2.74Å; H630-E654 IonicContact NE2-OE1 3.81Å; H630-E654 PolarHBondContact NE2-OE1 3.48Å; E654-G656 PolarHBondContact O-N 3.31Å; E654-V657 WeakPolarHBondContact O-CB 3.34Å; E654-V657 PolarHBondContact O-N 2.87Å; E654-H658 PolarHBondContact O-N 3.3Å
655S93Very high93.1Very high67 Ų6756 Ų5647%0.46927%0.272SS..Hα-helixtrans-58.6-35.5176.866.50000112.5S653 V657 H658 E659S653-S655 PolarHBondContact O-N 3.23Å; S653-S655 PolarHBondContact OG-N 2.97Å; S653-S655 PolarHBondContact OG-OG 3.02Å; S655-V657 VanDerWaalsContact C-N 3.32Å; S655-V657 PolarHBondContact O-N 3.46Å; S655-H658 WeakPolarHBondContact O-CB 3.41Å; S655-H658 PolarHBondContact O-N 3.01Å; S655-E659 WeakPolarHBondContact O-CG 3.47Å; S655-E659 PolarHBondContact O-N 2.86Å
656G93.2Very high93Very high9 Ų958.2 Ų58.29%0.09328%0.283CS..Hα-helixtrans-68.6-31.1177.800000112.7S653 E654 I660S653-G656 PolarHBondContact O-N 3.41Å; S653-G656 VanDerWaalsContact O-N 3.11Å; E654-G656 PolarHBondContact O-N 3.31Å; G656-I660 WeakPolarHBondContact O-CG1 3.27Å; G656-I660 PolarHBondContact O-N 2.87Å
657V95.3Very high93.1Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-67.6-40.9172.7-174.60000110.2V626 H630 P634 L635 Y638 F652 E654 S655 I660 V661V626-V657 HydrophobicContact CG1-CG1 4.32Å; V626-V657 HydrophobicContact CG1-CG2 4.31Å; H630-V657 HydrophobicContact CB-CG1 3.8Å; P634-V657 HydrophobicContact CB-CG1 3.98Å; L635-V657 HydrophobicContact CB-CG1 4.47Å; L635-V657 HydrophobicContact CD1-CG2 4.11Å; Y638-V657 HydrophobicContact CD1-CG2 3.76Å; Y638-V657 HydrophobicContact CE1-CG2 4.29Å; Y638-V657 HydrophobicContact CG-CG2 3.94Å; F652-V657 HydrophobicContact CE2-CG2 4.42Å; F652-V657 HydrophobicContact CZ-CG2 4.11Å; E654-V657 WeakPolarHBondContact O-CB 3.34Å; E654-V657 PolarHBondContact O-N 2.87Å; S655-V657 VanDerWaalsContact C-N 3.32Å; S655-V657 PolarHBondContact O-N 3.46Å; V657-I660 PolarHBondContact O-N 3.07Å; V657-V661 PolarHBondContact O-N 3.27Å
658H94.2Very high93.1Very high102 Ų10253.1 Ų53.147%0.47227%0.265SS..Hα-helixtrans-65.1-38.8177.2-173.766.3000113H630 E654 S655 I660 V661 K662H630-H658 AromaticContact CE1-ND1 3.73Å; H630-H658 AromaticContact ND1-ND1 3.65Å; E654-H658 PolarHBondContact O-N 3.3Å; S655-H658 WeakPolarHBondContact O-CB 3.41Å; S655-H658 PolarHBondContact O-N 3.01Å; H658-I660 VanDerWaalsContact C-N 3.32Å; H658-I660 PolarHBondContact O-N 2.76Å; H658-V661 WeakPolarHBondContact O-CB 3.21Å; H658-V661 PolarHBondContact O-N 3.24Å; H658-K662 PolarHBondContact O-N 2.57Å; H658-K662 VanDerWaalsContact O-N 3.11Å
659E93.5Very high93.1Very high111 Ų11148.6 Ų48.652%0.51925%0.245SC..Hα-helixtrans-59.4-42.7174.5-75170.1-173.700111.5S655 V661 K662 D663S655-E659 WeakPolarHBondContact O-CG 3.47Å; S655-E659 PolarHBondContact O-N 2.86Å; E659-V661 VanDerWaalsContact C-N 3.34Å; E659-V661 PolarHBondContact O-N 3.2Å; E659-K662 PolarHBondContact O-N 3.45Å; E659-K662 VanDerWaalsContact O-N 3.14Å; E659-D663 WeakPolarHBondContact O-CB 3.41Å; E659-D663 PolarHBondContact O-N 3.33Å
660I94.3Very high92.9Very high18 Ų1847.4 Ų47.49%0.09224%0.239CC..Hα-helixtrans-60.1-41.7176.1-69.4-65.6000112.1P634 L637 G656 V657 H658 K662 V664 F665P634-I660 HydrophobicContact CB-CG2 4.15Å; L637-I660 HydrophobicContact CB-CG2 4.11Å; L637-I660 HydrophobicContact CD2-CG2 3.91Å; L637-I660 HydrophobicContact CG-CG2 4.3Å; G656-I660 WeakPolarHBondContact O-CG1 3.27Å; G656-I660 PolarHBondContact O-N 2.87Å; V657-I660 PolarHBondContact O-N 3.07Å; H658-I660 VanDerWaalsContact C-N 3.32Å; H658-I660 PolarHBondContact O-N 2.76Å; I660-K662 VanDerWaalsContact C-N 3.34Å; I660-K662 PolarHBondContact O-N 3.48Å; I660-V664 HydrophobicContact CD1-CG2 4.46Å; I660-V664 WeakPolarHBondContact O-CB 3.43Å; I660-V664 PolarHBondContact O-N 2.91Å; I660-F665 HydrophobicContact CG2-CD2 3.9Å; I660-F665 HydrophobicContact CG2-CE2 3.53Å
661V94.1Very high92.9Very high17 Ų1746.7 Ų46.710%0.10324%0.235CC..Iπ-helixtrans-56.9-50.8173.9170.90000110.6I22 H630 P634 V657 H658 E659 F665 L666I22-V661 HydrophobicContact CD1-CG1 3.8Å; I22-V661 HydrophobicContact CD1-CG2 4.4Å; H630-V661 HydrophobicContact CB-CG2 4.19Å; P634-V661 HydrophobicContact CB-CG2 3.61Å; P634-V661 HydrophobicContact CG-CG2 3.51Å; V657-V661 PolarHBondContact O-N 3.27Å; H658-V661 WeakPolarHBondContact O-CB 3.21Å; H658-V661 PolarHBondContact O-N 3.24Å; E659-V661 VanDerWaalsContact C-N 3.34Å; E659-V661 PolarHBondContact O-N 3.2Å; V661-F665 PolarHBondContact O-N 3.12Å; V661-L666 HydrophobicContact CG1-CD1 4.47Å; V661-L666 HydrophobicContact CG1-CG 4.17Å; V661-L666 WeakPolarHBondContact O-CG 3.48Å; V661-L666 PolarHBondContact O-N 3.3Å
662K92.1Very high92.9Very high130 Ų13038.9 Ų38.957%0.56521%0.206SC*.Iπ-helixtrans-67.5-41.1-174.5-177.9-171.2165.9-163.80113H658 E659 I660 P667H658-K662 PolarHBondContact O-N 2.57Å; H658-K662 VanDerWaalsContact O-N 3.11Å; E659-K662 PolarHBondContact O-N 3.45Å; E659-K662 VanDerWaalsContact O-N 3.14Å; I660-K662 VanDerWaalsContact C-N 3.34Å; I660-K662 PolarHBondContact O-N 3.48Å; K662-P667 WeakPolarHBondContact O-CD 3.37Å
663D90.7Very high92.8Very high96 Ų9642 Ų4251%0.51322%0.218SC..Iπ-helixtrans-96.2-16.3-167.9-62-19.8000112.8E659E659-D663 WeakPolarHBondContact O-CB 3.41Å; E659-D663 PolarHBondContact O-N 3.33Å
664V93.9Very high92.9Very high2 Ų240.5 Ų40.51%0.01221%0.205CC..Iπ-helixtrans-120.4-61.5-178.4-169.20000112.1L637 I660 P667 W668 V737 I740L637-V664 HydrophobicContact CD2-CB 4.46Å; L637-V664 HydrophobicContact CD2-CG1 4.06Å; L637-V664 HydrophobicContact CD2-CG2 4.45Å; I660-V664 HydrophobicContact CD1-CG2 4.46Å; I660-V664 WeakPolarHBondContact O-CB 3.43Å; I660-V664 PolarHBondContact O-N 2.91Å; V664-P667 WeakPolarHBondContact O-CD 3.47Å; V664-W668 WeakPolarHBondContact O-CB 3.31Å; V664-W668 PolarHBondContact O-N 3.19Å; V664-W668 VanDerWaalsContact O-N 3.09Å; V664-V737 HydrophobicContact CG2-CG1 3.67Å; V664-V737 HydrophobicContact CG2-CG2 4.26Å; V664-I740 HydrophobicContact CG1-CG1 4.3Å
665F93.9Very high93Very high1 Ų137.8 Ų37.80%0.00419%0.193CC..Iπ-helixtrans-71.8-45.8-169.5-70.3-94.6000112.5I22 D633 P634 L637 I660 V661 W668 C669 T788 I791I22-F665 HydrophobicContact CD1-CB 3.51Å; I22-F665 HydrophobicContact CD1-CD1 4.43Å; I22-F665 HydrophobicContact CD1-CG 4.08Å; D633-F665 HydrophobicContact CB-CE1 3.54Å; D633-F665 HydrophobicContact CB-CZ 3.61Å; P634-F665 HydrophobicContact CB-CD2 4.46Å; P634-F665 HydrophobicContact CB-CE2 4.14Å; P634-F665 HydrophobicContact CG-CD2 3.94Å; P634-F665 HydrophobicContact CG-CE2 3.82Å; P634-F665 HydrophobicContact CG-CG 4.39Å; P634-F665 HydrophobicContact CG-CZ 4.15Å; L637-F665 HydrophobicContact CB-CE2 4.44Å; L637-F665 HydrophobicContact CD2-CE2 3.81Å; L637-F665 HydrophobicContact CD2-CZ 4.17Å; I660-F665 HydrophobicContact CG2-CD2 3.9Å; I660-F665 HydrophobicContact CG2-CE2 3.53Å; V661-F665 PolarHBondContact O-N 3.12Å; F665-W668 PolarHBondContact O-N 3.4Å; F665-C669 PolarHBondContact O-N 3.22Å; F665-C669 PolarHBondContact O-SG 3.44Å; F665-C669 VanDerWaalsContact O-SG 3.41Å; F665-T788 HydrophobicContact CE1-CG2 4.03Å; F665-T788 HydrophobicContact CZ-CG2 3.62Å; F665-I791 HydrophobicContact CD1-CB 4Å; F665-I791 HydrophobicContact CD1-CD1 4.32Å; F665-I791 HydrophobicContact CD1-CG1 3.89Å; F665-I791 HydrophobicContact CD1-CG2 4.02Å; F665-I791 HydrophobicContact CE1-CB 3.91Å; F665-I791 HydrophobicContact CE1-CG1 4.32Å; F665-I791 HydrophobicContact CE1-CG2 3.64Å
666L91.7Very high93Very high50 Ų5035 Ų3526%0.26217%0.172SC..Hα-helixtrans-61.4-47.2177.6-67.3-176.5000112.1V661 W668 C669 N670V661-L666 HydrophobicContact CG1-CD1 4.47Å; V661-L666 HydrophobicContact CG1-CG 4.17Å; V661-L666 WeakPolarHBondContact O-CG 3.48Å; V661-L666 PolarHBondContact O-N 3.3Å; L666-W668 VanDerWaalsContact C-N 3.31Å; L666-W668 PolarHBondContact O-N 2.91Å; L666-C669 PolarHBondContact O-N 2.95Å; L666-N670 WeakPolarHBondContact O-CB 3.27Å; L666-N670 PolarHBondContact O-N 3.32Å; L666-N670 PolarHBondContact O-ND2 2.87Å
667P92.7Very high92.9Very high27 Ų2737.4 Ų37.418%0.17518%0.181CC..Hα-helixtrans-56.5-41.8172.7-30.337.8000113.4K662 V664 N670 A671 I740 V744K662-P667 WeakPolarHBondContact O-CD 3.37Å; V664-P667 WeakPolarHBondContact O-CD 3.47Å; P667-N670 WeakPolarHBondContact O-CB 3.49Å; P667-N670 PolarHBondContact O-N 3.33Å; P667-A671 PolarHBondContact O-N 3.37Å; P667-I740 HydrophobicContact CB-CG2 4.46Å; P667-V744 HydrophobicContact CB-CB 4.49Å; P667-V744 HydrophobicContact CB-CG1 4.33Å; P667-V744 HydrophobicContact CB-CG2 3.98Å; P667-V744 WeakPolarHBondContact O-CG2 3.46Å
668W93.5Very high92.7Very high1 Ų139.4 Ų39.40%0.00420%0.195CC..Hα-helixtrans-67-46.5-179.6-165.612.7000112.5V664 F665 L666 N670 A671 L672 I740 I780 M784 I791 T792 I795V664-W668 WeakPolarHBondContact O-CB 3.31Å; V664-W668 PolarHBondContact O-N 3.19Å; V664-W668 VanDerWaalsContact O-N 3.09Å; F665-W668 PolarHBondContact O-N 3.4Å; L666-W668 VanDerWaalsContact C-N 3.31Å; L666-W668 PolarHBondContact O-N 2.91Å; W668-N670 VanDerWaalsContact C-N 3.25Å; W668-N670 PolarHBondContact O-N 3.46Å; W668-A671 WeakPolarHBondContact O-CB 3.27Å; W668-A671 PolarHBondContact O-N 2.97Å; W668-A671 VanDerWaalsContact O-N 3.09Å; W668-L672 PolarHBondContact O-N 3.3Å; W668-I740 HydrophobicContact CB-CG2 4.03Å; W668-I740 HydrophobicContact CD2-CD1 4Å; W668-I740 HydrophobicContact CG-CD1 4.06Å; W668-I780 HydrophobicContact CZ2-CG2 4.08Å; W668-M784 HydrophobicContact CH2-CB 3.76Å; W668-M784 HydrophobicContact CH2-CG 3.97Å; W668-M784 HydrophobicContact CZ3-CB 4.41Å; W668-M784 HydrophobicContact CZ3-CE 4.23Å; W668-M784 HydrophobicContact CZ3-CG 4.5Å; W668-I791 HydrophobicContact CE3-CG2 3.99Å; W668-I791 HydrophobicContact CH2-CG2 4.24Å; W668-I791 HydrophobicContact CZ3-CG2 3.45Å; W668-I791 VanDerWaalsContact CZ3-CG2 3.45Å; W668-T792 HydrophobicContact CH2-CG2 3.6Å; W668-T792 HydrophobicContact CZ3-CG2 4.24Å; W668-I795 HydrophobicContact CD2-CD1 3.49Å; W668-I795 VanDerWaalsContact CD2-CD1 3.49Å; W668-I795 HydrophobicContact CE3-CD1 3.88Å; W668-I795 HydrophobicContact CG-CD1 4.06Å; W668-I795 HydrophobicContact CH2-CD1 3.9Å; W668-I795 HydrophobicContact CZ2-CD1 3.5Å; W668-I795 VanDerWaalsContact CZ2-CD1 3.5Å; W668-I795 HydrophobicContact CZ3-CD1 4.07Å
669C92.3Very high92.6Very high6 Ų634.6 Ų34.64%0.04117%0.173CC..Hα-helixtrans-59.8-37.6172.9-71.30000112V20 F665 L666 A671 L672 R673V20-C669 HydrophobicContact CB-CB 4.48Å; V20-C669 HydrophobicContact CG2-CB 3.94Å; F665-C669 PolarHBondContact O-N 3.22Å; F665-C669 PolarHBondContact O-SG 3.44Å; F665-C669 VanDerWaalsContact O-SG 3.41Å; L666-C669 PolarHBondContact O-N 2.95Å; C669-A671 VanDerWaalsContact C-N 3.34Å; C669-L672 PolarHBondContact O-N 3.23Å; C669-R673 PolarHBondContact O-N 2.8Å
670N89.5Confident92.6Very high72 Ų7229.3 Ų29.339%0.38515%0.148SC..Hα-helixtrans-64.7-37.2175-77.1-40.7000112.4L666 P667 W668 R673 F674L666-N670 WeakPolarHBondContact O-CB 3.27Å; L666-N670 PolarHBondContact O-N 3.32Å; L666-N670 PolarHBondContact O-ND2 2.87Å; P667-N670 WeakPolarHBondContact O-CB 3.49Å; P667-N670 PolarHBondContact O-N 3.33Å; W668-N670 VanDerWaalsContact C-N 3.25Å; W668-N670 PolarHBondContact O-N 3.46Å; N670-R673 PolarHBondContact OD1-NH2 2.82Å; N670-F674 VanDerWaalsContact O-CB 3.26Å; N670-F674 WeakPolarHBondContact O-CB 3.33Å; N670-F674 PolarHBondContact O-N 3.24Å
671A92.5Very high92.5Very high2 Ų231.3 Ų31.32%0.01716%0.156CC..Hα-helixtrans-65.1-43173.500000112P667 W668 C669 F674 L675 V744P667-A671 PolarHBondContact O-N 3.37Å; W668-A671 WeakPolarHBondContact O-CB 3.27Å; W668-A671 PolarHBondContact O-N 2.97Å; W668-A671 VanDerWaalsContact O-N 3.09Å; C669-A671 VanDerWaalsContact C-N 3.34Å; A671-F674 PolarHBondContact O-N 2.72Å; A671-L675 PolarHBondContact O-N 2.97Å; A671-V744 HydrophobicContact CB-CG2 4.09Å
672L94.1Very high92.3Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-58.5-50.5174.3173.663.9000111.3L16 W668 C669 F674 L675 I676 F794 I795 H798 I799L16-L672 HydrophobicContact CD1-CD2 4.32Å; L16-L672 HydrophobicContact CD1-CG 4.11Å; L16-L672 HydrophobicContact CD2-CD2 4.15Å; W668-L672 PolarHBondContact O-N 3.3Å; C669-L672 PolarHBondContact O-N 3.23Å; L672-F674 VanDerWaalsContact C-N 3.29Å; L672-F674 PolarHBondContact O-N 3.12Å; L672-L675 WeakPolarHBondContact O-CB 3.37Å; L672-L675 PolarHBondContact O-N 3.41Å; L672-I676 HydrophobicContact CD1-CD1 3.6Å; L672-I676 HydrophobicContact CD1-CG1 4.26Å; L672-I676 HydrophobicContact CG-CD1 4.14Å; L672-I676 PolarHBondContact O-N 2.97Å; L672-F794 HydrophobicContact CD2-CE1 4.08Å; L672-I795 HydrophobicContact CD1-CG2 4.3Å; L672-I795 HydrophobicContact CD2-CB 4.34Å; L672-I795 HydrophobicContact CD2-CG1 4.02Å; L672-I795 HydrophobicContact CD2-CG2 4.32Å; L672-H798 HydrophobicContact CD2-CB 4.16Å; L672-I799 HydrophobicContact CD1-CG2 3.38Å
673R91.4Very high92.3Very high71 Ų7126.4 Ų26.427%0.26814%0.138SC..Hα-helixtrans-60.4-41.4177.6-175-18059.4-173-6.9111.6L16 S18 C669 N670 I676 E677L16-R673 HydrophobicContact CB-CG 4.4Å; L16-R673 HydrophobicContact CD1-CB 4.37Å; S18-R673 PolarHBondContact O-NH1 3.21Å; C669-R673 PolarHBondContact O-N 2.8Å; N670-R673 PolarHBondContact OD1-NH2 2.82Å; R673-I676 PolarHBondContact O-N 3Å; R673-E677 WeakPolarHBondContact CD-OE2 3.29Å; R673-E677 HydrophobicContact CG-CB 4.44Å; R673-E677 HydrophobicContact CG-CG 4.09Å; R673-E677 VanDerWaalsContact CG-OE2 3.23Å; R673-E677 WeakPolarHBondContact CG-OE2 3.38Å; R673-E677 WeakPolarHBondContact O-CB 3.35Å; R673-E677 PolarHBondContact O-N 3.47Å
674F92.7Very high92.4Very high12 Ų1223 Ų235%0.05312%0.119CC..Hα-helixtrans-61.8-43.9176.3179.9-95.4000111.9N670 A671 L672 S678 S679 V748 R752 L755 K756 L773N670-F674 VanDerWaalsContact O-CB 3.26Å; N670-F674 WeakPolarHBondContact O-CB 3.33Å; N670-F674 PolarHBondContact O-N 3.24Å; A671-F674 PolarHBondContact O-N 2.72Å; L672-F674 VanDerWaalsContact C-N 3.29Å; L672-F674 PolarHBondContact O-N 3.12Å; F674-S678 CarbonylContact O-C 3.58Å; F674-S678 WeakPolarHBondContact O-CA 3.42Å; F674-S678 VanDerWaalsContact O-CB 3.3Å; F674-S678 WeakPolarHBondContact O-CB 3.43Å; F674-S678 PolarHBondContact O-N 2.92Å; F674-S679 WeakPolarHBondContact CE1-OG 3.45Å; F674-S679 PolarHBondContact O-N 3.48Å; F674-S679 VanDerWaalsContact O-N 3.16Å; F674-S679 PolarHBondContact O-OG 3.5Å; F674-V748 HydrophobicContact CD1-CG1 3.64Å; F674-V748 HydrophobicContact CE1-CG1 3.84Å; F674-V748 HydrophobicContact CG-CG1 4.18Å; F674-R752 HydrophobicContact CE2-CG 3.67Å; F674-R752 HydrophobicContact CZ-CB 4.44Å; F674-R752 HydrophobicContact CZ-CG 3.56Å; F674-L755 HydrophobicContact CE1-CB 3.79Å; F674-L755 HydrophobicContact CE1-CD1 3.79Å; F674-L755 HydrophobicContact CE1-CG 4.39Å; F674-L755 HydrophobicContact CZ-CB 4.06Å; F674-K756 HydrophobicContact CE2-CG 4.25Å; F674-K756 HydrophobicContact CZ-CG 4.17Å; F674-L773 HydrophobicContact CD1-CD2 4.36Å
675L94.8Very high92.2Very high0 Ų030.4 Ų30.40%015%0.151CC..Hα-helixtrans-58.5-52.1175.4171.963.4000110.9A671 L672 S679 I680 L773 L774 I777A671-L675 PolarHBondContact O-N 2.97Å; L672-L675 WeakPolarHBondContact O-CB 3.37Å; L672-L675 PolarHBondContact O-N 3.41Å; L675-S679 VanDerWaalsContact O-CB 3.22Å; L675-S679 WeakPolarHBondContact O-CB 3.41Å; L675-S679 PolarHBondContact O-N 3.1Å; L675-I680 HydrophobicContact CD1-CD1 3.84Å; L675-I680 HydrophobicContact CD1-CG1 4.03Å; L675-I680 HydrophobicContact CD2-CD1 4.44Å; L675-I680 HydrophobicContact CG-CD1 3.84Å; L675-I680 HydrophobicContact CG-CG1 4.4Å; L675-I680 WeakPolarHBondContact O-CG1 3.25Å; L675-I680 PolarHBondContact O-N 3.05Å; L675-L773 HydrophobicContact CB-CD2 3.95Å; L675-L773 HydrophobicContact CB-CG 4.37Å; L675-L773 HydrophobicContact CD1-CB 4.2Å; L675-L773 HydrophobicContact CD1-CD2 3.86Å; L675-L773 HydrophobicContact CD1-CG 3.97Å; L675-L773 HydrophobicContact CG-CD2 4.44Å; L675-L774 HydrophobicContact CD2-CB 4.1Å; L675-L774 HydrophobicContact CD2-CD1 4.01Å; L675-I777 HydrophobicContact CB-CD1 4.25Å; L675-I777 HydrophobicContact CD2-CD1 3.87Å
676I93.6Very high91.9Very high8 Ų834.8 Ų34.84%0.04118%0.178CC..Iπ-helixtrans-73.6-61.6-173.6-66.2171.7000111.1L16 L672 R673 I680 F681 H798 Y802L16-I676 HydrophobicContact CD1-CB 4.44Å; L16-I676 HydrophobicContact CD1-CD1 3.84Å; L672-I676 HydrophobicContact CD1-CD1 3.6Å; L672-I676 HydrophobicContact CD1-CG1 4.26Å; L672-I676 HydrophobicContact CG-CD1 4.14Å; L672-I676 PolarHBondContact O-N 2.97Å; R673-I676 PolarHBondContact O-N 3Å; I676-I680 PolarHBondContact O-N 2.75Å; I676-F681 HydrophobicContact CG2-CD1 4.49Å; I676-F681 HydrophobicContact CG2-CE1 3.93Å; I676-F681 HydrophobicContact CG2-CE2 4Å; I676-F681 HydrophobicContact CG2-CZ 3.66Å; I676-F681 PolarHBondContact O-N 3.11Å; I676-H798 HydrophobicContact CD1-CB 4.05Å; I676-Y802 HydrophobicContact CD1-CE2 4.17Å; I676-Y802 HydrophobicContact CG1-CE2 4.03Å
677E90.4Very high91.8Very high60 Ų6033.2 Ų33.228%0.2817%0.17SC..Iπ-helixtrans-80.5-37.1-167.7-61-177.1169.700113L16 R673 F681 P682L16-E677 PolarHBondContact N-OE1 3.49Å; L16-E677 VanDerWaalsContact N-OE1 3.17Å; R673-E677 WeakPolarHBondContact CD-OE2 3.29Å; R673-E677 HydrophobicContact CG-CB 4.44Å; R673-E677 HydrophobicContact CG-CG 4.09Å; R673-E677 VanDerWaalsContact CG-OE2 3.23Å; R673-E677 WeakPolarHBondContact CG-OE2 3.38Å; R673-E677 WeakPolarHBondContact O-CB 3.35Å; R673-E677 PolarHBondContact O-N 3.47Å; E677-F681 HydrophobicContact CB-CD2 4.5Å; E677-F681 HydrophobicContact CG-CD2 4.48Å; E677-F681 HydrophobicContact CG-CE2 4.32Å; E677-P682 WeakPolarHBondContact O-CD 3.33Å
678S89.9Confident91.6Very high42 Ų4239.4 Ų39.429%0.29420%0.196SC..Iπ-helixtrans-95.4-8.8-176.1-60.10000113.9F674 K756F674-S678 CarbonylContact O-C 3.58Å; F674-S678 WeakPolarHBondContact O-CA 3.42Å; F674-S678 VanDerWaalsContact O-CB 3.3Å; F674-S678 WeakPolarHBondContact O-CB 3.43Å; F674-S678 PolarHBondContact O-N 2.92Å; S678-K756 WeakPolarHBondContact O-CG 3.43Å
679S92.6Very high91.4Very high0 Ų044 Ų440%022%0.218CC..Iπ-helixtrans-128.1-61.4-174-37.80000111.8F674 L675 P682 Y683 L755F674-S679 WeakPolarHBondContact CE1-OG 3.45Å; F674-S679 PolarHBondContact O-N 3.48Å; F674-S679 VanDerWaalsContact O-N 3.16Å; F674-S679 PolarHBondContact O-OG 3.5Å; L675-S679 VanDerWaalsContact O-CB 3.22Å; L675-S679 WeakPolarHBondContact O-CB 3.41Å; L675-S679 PolarHBondContact O-N 3.1Å; S679-P682 WeakPolarHBondContact O-CD 3.47Å; S679-Y683 WeakPolarHBondContact O-CB 3.13Å; S679-Y683 PolarHBondContact O-N 3.26Å; S679-Y683 VanDerWaalsContact O-N 3.09Å; S679-L755 VanDerWaalsContact CB-O 3.32Å; S679-L755 WeakPolarHBondContact CB-O 3.43Å
680I93.8Very high91.4Very high0 Ų047.9 Ų47.90%024%0.238CC..Iπ-helixtrans-66.6-50.1-178.5-69.2171.9000112.1L675 I676 Y683 Q684 F691 Y802L675-I680 HydrophobicContact CD1-CD1 3.84Å; L675-I680 HydrophobicContact CD1-CG1 4.03Å; L675-I680 HydrophobicContact CD2-CD1 4.44Å; L675-I680 HydrophobicContact CG-CD1 3.84Å; L675-I680 HydrophobicContact CG-CG1 4.4Å; L675-I680 WeakPolarHBondContact O-CG1 3.25Å; L675-I680 PolarHBondContact O-N 3.05Å; I676-I680 PolarHBondContact O-N 2.75Å; I680-Y683 WeakPolarHBondContact O-CB 3.27Å; I680-Y683 PolarHBondContact O-N 2.85Å; I680-Y683 VanDerWaalsContact O-N 3.1Å; I680-Q684 HydrophobicContact CG2-CG 4.18Å; I680-Q684 WeakPolarHBondContact O-CG 3.24Å; I680-Q684 PolarHBondContact O-N 3.43Å; I680-F691 HydrophobicContact CD1-CD1 3.75Å; I680-F691 HydrophobicContact CD1-CE1 3.92Å; I680-F691 HydrophobicContact CG1-CD1 3.79Å; I680-F691 HydrophobicContact CG1-CE1 4.11Å; I680-F691 HydrophobicContact CG1-CG 4.38Å; I680-F691 HydrophobicContact CG2-CB 4.05Å; I680-F691 HydrophobicContact CG2-CD1 4.25Å; I680-F691 HydrophobicContact CG2-CG 4.45Å; I680-Y802 HydrophobicContact CD1-CD1 4.29Å; I680-Y802 HydrophobicContact CD1-CD2 4.25Å; I680-Y802 HydrophobicContact CD1-CE1 4.45Å; I680-Y802 HydrophobicContact CD1-CE2 4.44Å; I680-Y802 HydrophobicContact CD1-CG 4.18Å; I680-Y802 HydrophobicContact CG2-CD1 4.18Å; I680-Y802 HydrophobicContact CG2-CE1 3.76Å
681F91.9Very high91.7Very high61 Ų6144.5 Ų44.527%0.26822%0.22SC..Hα-helixtrans-59.9-45.4-179.9-70.5-13000112.9I676 E677 Y683 Q684 K685I676-F681 HydrophobicContact CG2-CD1 4.49Å; I676-F681 HydrophobicContact CG2-CE1 3.93Å; I676-F681 HydrophobicContact CG2-CE2 4Å; I676-F681 HydrophobicContact CG2-CZ 3.66Å; I676-F681 PolarHBondContact O-N 3.11Å; E677-F681 HydrophobicContact CB-CD2 4.5Å; E677-F681 HydrophobicContact CG-CD2 4.48Å; E677-F681 HydrophobicContact CG-CE2 4.32Å; F681-Y683 VanDerWaalsContact C-N 3.34Å; F681-Y683 PolarHBondContact O-N 2.95Å; F681-Q684 PolarHBondContact O-N 3.47Å; F681-K685 VanDerWaalsContact O-CB 3.31Å; F681-K685 WeakPolarHBondContact O-CB 3.43Å; F681-K685 PolarHBondContact O-N 2.87Å
682P90.1Very high91.8Very high40 Ų4047.6 Ų47.626%0.2624%0.235SC..Hα-helixtrans-56.9-43.1170.3-29.937.7000113.6E677 S679 K685 T686 W766E677-P682 WeakPolarHBondContact O-CD 3.33Å; S679-P682 WeakPolarHBondContact O-CD 3.47Å; P682-K685 PolarHBondContact O-N 3.11Å; P682-T686 VanDerWaalsContact O-CB 3.32Å; P682-T686 WeakPolarHBondContact O-CB 3.22Å; P682-T686 PolarHBondContact O-N 2.91Å; P682-T686 PolarHBondContact O-OG1 3.34Å; P682-W766 HydrophobicContact CB-CH2 4.45Å; P682-W766 HydrophobicContact CB-CZ2 4.23Å
683Y91.9Very high91.8Very high4 Ų448 Ų482%0.01624%0.238CC..Hα-helixtrans-58.5-50.7176.1175.3-85.5000111.7S679 I680 F681 K685 T686 T687 Q689 F691 W766 K767 L770S679-Y683 WeakPolarHBondContact O-CB 3.13Å; S679-Y683 PolarHBondContact O-N 3.26Å; S679-Y683 VanDerWaalsContact O-N 3.09Å; I680-Y683 WeakPolarHBondContact O-CB 3.27Å; I680-Y683 PolarHBondContact O-N 2.85Å; I680-Y683 VanDerWaalsContact O-N 3.1Å; F681-Y683 VanDerWaalsContact C-N 3.34Å; F681-Y683 PolarHBondContact O-N 2.95Å; Y683-K685 VanDerWaalsContact C-N 3.32Å; Y683-K685 PolarHBondContact O-N 3.18Å; Y683-T686 PolarHBondContact O-N 3.36Å; Y683-T687 HydrophobicContact CD2-CG2 4.03Å; Y683-T687 HydrophobicContact CE1-CG2 4.38Å; Y683-T687 WeakPolarHBondContact CE1-OG1 3.06Å; Y683-T687 HydrophobicContact CE2-CG2 3.84Å; Y683-T687 HydrophobicContact CG-CG2 4.41Å; Y683-T687 WeakPolarHBondContact O-CB 3.32Å; Y683-T687 WeakPolarHBondContact O-CG2 3.27Å; Y683-T687 PolarHBondContact O-N 2.9Å; Y683-T687 PolarHBondContact O-OG1 3.33Å; Y683-Q689 HydrophobicContact CE1-CB 4.45Å; Y683-Q689 PolarHBondContact OH-OE1 3.33Å; Y683-F691 HydrophobicContact CD1-CB 4.06Å; Y683-F691 HydrophobicContact CD1-CD2 4.38Å; Y683-F691 HydrophobicContact CE1-CB 4.27Å; Y683-F691 HydrophobicContact CE1-CD2 4.31Å; Y683-W766 VanDerWaalsContact CA-CH2 3.42Å; Y683-W766 AromaticContact CD2-CD2 3.68Å; Y683-W766 HydrophobicContact CD2-CD2 3.68Å; Y683-W766 AromaticContact CD2-CE3 3.81Å; Y683-W766 HydrophobicContact CD2-CE3 3.81Å; Y683-W766 HydrophobicContact CD2-CG 4.05Å; Y683-W766 HydrophobicContact CD2-CZ2 4.46Å; Y683-W766 HydrophobicContact CD2-CZ3 4.27Å; Y683-K767 HydrophobicContact CE2-CB 4.03Å; Y683-L770 HydrophobicContact CD1-CD1 4.38Å; Y683-L770 HydrophobicContact CD2-CD1 3.73Å; Y683-L770 HydrophobicContact CG-CD1 3.64Å
684Q93.3Very high91.9Very high25 Ų2548.1 Ų48.112%0.11724%0.24CC..Hα-helixtrans-65.2-37.2-178.8-63.9178.8-68.300111.8I680 F681 H688 Q689 F691I680-Q684 HydrophobicContact CG2-CG 4.18Å; I680-Q684 WeakPolarHBondContact O-CG 3.24Å; I680-Q684 PolarHBondContact O-N 3.43Å; F681-Q684 PolarHBondContact O-N 3.47Å; Q684-H688 VanDerWaalsContact O-CA 3.22Å; Q684-H688 WeakPolarHBondContact O-CA 3.26Å; Q684-H688 PolarHBondContact O-N 2.68Å; Q684-Q689 WeakPolarHBondContact CA-O 3.35Å; Q684-Q689 WeakPolarHBondContact CG-O 3.41Å; Q684-F691 HydrophobicContact CG-CB 4.19Å
685K89.4Confident91.8Very high157 Ų15748.6 Ų48.668%0.68325%0.245SC*.Hα-helixtrans-66.3-43.2176.8-174.4-178.3178.1-174.50111.9F681 P682 Y683 H688F681-K685 VanDerWaalsContact O-CB 3.31Å; F681-K685 WeakPolarHBondContact O-CB 3.43Å; F681-K685 PolarHBondContact O-N 2.87Å; P682-K685 PolarHBondContact O-N 3.11Å; Y683-K685 VanDerWaalsContact C-N 3.32Å; Y683-K685 PolarHBondContact O-N 3.18Å; K685-H688 PolarHBondContact O-CE1 3.12Å
686T88.2Confident91.5Very high93 Ų9353.3 Ų53.357%0.57127%0.27SS*.Hα-helixtrans-79.7-38.7-175.2-60.10000112.4P682 Y683 W766P682-T686 VanDerWaalsContact O-CB 3.32Å; P682-T686 WeakPolarHBondContact O-CB 3.22Å; P682-T686 PolarHBondContact O-N 2.91Å; P682-T686 PolarHBondContact O-OG1 3.34Å; Y683-T686 PolarHBondContact O-N 3.36Å; T686-W766 HydrophobicContact CG2-CZ3 4.15Å
687T89.1Confident91.5Very high16 Ų1657.6 Ų57.610%0.09829%0.29CS..Hα-helixtrans-91.8-14.8-177.264.60000113.4Y683 Q689 Q763Y683-T687 HydrophobicContact CD2-CG2 4.03Å; Y683-T687 HydrophobicContact CE1-CG2 4.38Å; Y683-T687 WeakPolarHBondContact CE1-OG1 3.06Å; Y683-T687 HydrophobicContact CE2-CG2 3.84Å; Y683-T687 HydrophobicContact CG-CG2 4.41Å; Y683-T687 WeakPolarHBondContact O-CB 3.32Å; Y683-T687 WeakPolarHBondContact O-CG2 3.27Å; Y683-T687 PolarHBondContact O-N 2.9Å; Y683-T687 PolarHBondContact O-OG1 3.33Å; T687-Q689 PolarHBondContact O-N 3.29Å; T687-Q689 VanDerWaalsContact O-N 3.17Å; T687-Q689 PolarHBondContact OG1-N 3.17Å; T687-Q763 HydrophobicContact CG2-CG 4.39Å
688H89.1Confident91.7Very high158 Ų15856.5 Ų56.573%0.73128%0.284SS*.  trans56.220.6-169.2-56.1-65.7000114Q684 K685Q684-H688 VanDerWaalsContact O-CA 3.22Å; Q684-H688 WeakPolarHBondContact O-CA 3.26Å; Q684-H688 PolarHBondContact O-N 2.68Å; K685-H688 PolarHBondContact O-CE1 3.12Å
689Q89.5Confident91.8Very high98 Ų9855.1 Ų55.146%0.45827%0.274SS..  trans-108.8142.5177.2-64.9-179.20.400110.8Y683 Q684 T687Y683-Q689 HydrophobicContact CE1-CB 4.45Å; Y683-Q689 PolarHBondContact OH-OE1 3.33Å; Q684-Q689 WeakPolarHBondContact CA-O 3.35Å; Q684-Q689 WeakPolarHBondContact CG-O 3.41Å; T687-Q689 PolarHBondContact O-N 3.29Å; T687-Q689 VanDerWaalsContact O-N 3.17Å; T687-Q689 PolarHBondContact OG1-N 3.17Å
690L91.9Very high91.6Very high87 Ų8760.7 Ų60.746%0.45531%0.313SS..  trans-71.2134169.3-67.5174.6000109.8F9 I692F9-L690 HydrophobicContact CE1-CD2 4.12Å; F9-L690 HydrophobicContact CZ-CD2 4.38Å; L690-I692 PolarHBondContact O-N 2.76Å
691F94.6Very high91.4Very high1 Ų161.5 Ų61.50%0.00432%0.318CS..  trans-89.3104.4173.6-179.7-97.8000109.2I680 Y683 Q684 V693 K767 L770 H771 L774 Y802I680-F691 HydrophobicContact CD1-CD1 3.75Å; I680-F691 HydrophobicContact CD1-CE1 3.92Å; I680-F691 HydrophobicContact CG1-CD1 3.79Å; I680-F691 HydrophobicContact CG1-CE1 4.11Å; I680-F691 HydrophobicContact CG1-CG 4.38Å; I680-F691 HydrophobicContact CG2-CB 4.05Å; I680-F691 HydrophobicContact CG2-CD1 4.25Å; I680-F691 HydrophobicContact CG2-CG 4.45Å; Y683-F691 HydrophobicContact CD1-CB 4.06Å; Y683-F691 HydrophobicContact CD1-CD2 4.38Å; Y683-F691 HydrophobicContact CE1-CB 4.27Å; Y683-F691 HydrophobicContact CE1-CD2 4.31Å; Q684-F691 HydrophobicContact CG-CB 4.19Å; F691-V693 HydrophobicContact CE2-CG1 4.21Å; F691-V693 HydrophobicContact CZ-CG1 4.01Å; F691-K767 HydrophobicContact CD2-CG 4.4Å; F691-K767 HydrophobicContact CE2-CG 4.11Å; F691-L770 HydrophobicContact CD2-CB 4.29Å; F691-L770 HydrophobicContact CD2-CD1 4.09Å; F691-L770 HydrophobicContact CE1-CB 4.35Å; F691-L770 HydrophobicContact CE2-CB 3.5Å; F691-L770 HydrophobicContact CE2-CD1 4.12Å; F691-L770 HydrophobicContact CE2-CG 4.47Å; F691-L770 HydrophobicContact CZ-CB 3.55Å; F691-H771 HydrophobicContact CZ-CB 4.46Å; F691-L774 HydrophobicContact CE1-CD2 3.7Å; F691-L774 HydrophobicContact CZ-CD2 4.38Å; F691-Y802 HydrophobicContact CD1-CD1 4.49Å; F691-Y802 WeakPolarHBondContact O-CD1 3.2Å
692I94.6Very high91.1Very high67 Ų6766.1 Ų66.134%0.34435%0.346SS..  trans-138.6136.8174.6-62.1177.4000107.3L690 Y802 D804L690-I692 PolarHBondContact O-N 2.76Å; I692-Y802 WeakPolarHBondContact CA-O 3.47Å; I692-D804 HydrophobicContact CG2-CB 3.81Å
693V95.3Very high91.2Very high8 Ų866 Ų665%0.04834%0.343CS..EExtended strand (participates in β ladder)trans-131.6151.6177-61.60000109.9F691 H771 L774 Y802 L803 D804F691-V693 HydrophobicContact CE2-CG1 4.21Å; F691-V693 HydrophobicContact CZ-CG1 4.01Å; V693-H771 HydrophobicContact CG1-CB 4.18Å; V693-L774 HydrophobicContact CG2-CD2 3.63Å; V693-Y802 PolarHBondContact N-O 3.15Å; V693-Y802 VanDerWaalsContact N-O 3.1Å; V693-L803 HydrophobicContact CG2-CD2 4.23Å; V693-L803 CarbonylContact O-C 3.6Å; V693-L803 WeakPolarHBondContact O-CA 3.41Å; V693-D804 PolarHBondContact O-N 3.26Å
694K93.9Very high91.3Very high74 Ų7468.5 Ų68.532%0.32235%0.354SS..EExtended strand (participates in β ladder)trans-66142.3175-71-173165.1-136.40111.4D696 E697 D804 D807K694-D696 VanDerWaalsContact C-N 3.32Å; K694-D696 WeakPolarHBondContact CB-OD1 3.35Å; K694-D696 PolarHBondContact O-N 3.46Å; K694-E697 HydrophobicContact CB-CB 3.69Å; K694-E697 PolarHBondContact O-N 3.37Å; K694-D804 HydrophobicContact CG-CB 4.28Å; K694-D807 IonicContact NZ-OD1 2.77Å; K694-D807 IonicContact NZ-OD2 3.61Å; K694-D807 PolarHBondContact NZ-OD2 2.87Å
695S89.6Confident91.4Very high21 Ų2167.3 Ų67.315%0.14735%0.348CS..SBendtrans-63.3-34.8-176.955.30000113.5K775 D804S695-K775 PolarHBondContact O-NZ 2.83Å; S695-D804 PolarHBondContact N-O 3.27Å; S695-D804 PolarHBondContact OG-O 3.05Å
696D89.6Confident91.7Very high99 Ų9959.8 Ų59.853%0.52932%0.316SS..SBendtrans-88.8-25.6-179.464.2-26.2000113.5K694 F698 K775K694-D696 VanDerWaalsContact C-N 3.32Å; K694-D696 WeakPolarHBondContact CB-OD1 3.35Å; K694-D696 PolarHBondContact O-N 3.46Å; D696-F698 WeakPolarHBondContact O-CD2 3.3Å; D696-K775 VanDerWaalsContact C-NZ 3.29Å; D696-K775 PolarHBondContact O-NZ 3.45Å; D696-K775 VanDerWaalsContact O-NZ 3.07Å
697E93.3Very high92.1Very high98 Ų9861.3 Ų61.346%0.45831%0.311SS..  trans-64147.6179.6-171.6179.9-162.100113K694 H771 K775K694-E697 HydrophobicContact CB-CB 3.69Å; K694-E697 PolarHBondContact O-N 3.37Å; E697-H771 PolarHBondContact O-NE2 2.85Å; E697-K775 WeakPolarHBondContact O-CE 3.4Å; E697-K775 PolarHBondContact O-NZ 2.89Å
698F93.6Very high92.4Very high37 Ų3760.8 Ų60.816%0.16231%0.307CS..  trans-112.1148.2175.6-82.9-108.4000110.3D696 L710 K775 Q779 K838 L841D696-F698 WeakPolarHBondContact O-CD2 3.3Å; F698-L710 HydrophobicContact CD1-CD2 4.36Å; F698-K775 HydrophobicContact CD1-CG 4.44Å; F698-K775 HydrophobicContact CE1-CG 4.47Å; F698-K775 VanDerWaalsContact CE2-CE 3.42Å; F698-Q779 VanDerWaalsContact CZ-NE2 3.34Å; F698-K838 HydrophobicContact CD2-CD 3.94Å; F698-K838 HydrophobicContact CE1-CD 4.24Å; F698-K838 HydrophobicContact CE2-CD 3.47Å; F698-K838 VanDerWaalsContact CE2-CD 3.47Å; F698-K838 HydrophobicContact CE2-CG 4.34Å; F698-K838 HydrophobicContact CG-CD 4.48Å; F698-K838 HydrophobicContact CZ-CD 3.6Å; F698-K838 HydrophobicContact CZ-CG 4.13Å; F698-L841 HydrophobicContact CD1-CD1 3.28Å; F698-L841 HydrophobicContact CE1-CD1 3.33Å; F698-L841 HydrophobicContact CG-CD1 4.02Å; F698-L841 HydrophobicContact CZ-CD1 4.12Å
699P92.2Very high92.8Very high14 Ų1453.2 Ų53.29%0.09127%0.272CS..  trans-65.9136.918030.2-38.8000111.6T701 L710 H771 T772P699-T701 HydrophobicContact CB-CG2 4.39Å; P699-T701 HydrophobicContact CG-CG2 4.39Å; P699-T701 PolarHBondContact O-N 2.82Å; P699-L710 HydrophobicContact CG-CD1 3.63Å; P699-L710 HydrophobicContact CG-CD2 4.19Å; P699-H771 WeakPolarHBondContact CA-ND1 3.25Å; P699-H771 HydrophobicContact CB-CB 4.04Å; P699-T772 WeakPolarHBondContact CB-OG1 3.49Å; P699-T772 VanDerWaalsContact CG-OG1 3.28Å; P699-T772 WeakPolarHBondContact CG-OG1 3.45Å
700S87.8Confident93.2Very high117 Ų11749 Ų4982%0.81825%0.253SS*.  trans-85.699.2166.8-1800000109.1
701T90Very high93.5Very high17 Ų1744.9 Ų44.910%0.10423%0.231CC..  trans-139.3134.2-176.4-179.80000111.7P699 N703 D706 L710P699-T701 HydrophobicContact CB-CG2 4.39Å; P699-T701 HydrophobicContact CG-CG2 4.39Å; P699-T701 PolarHBondContact O-N 2.82Å; T701-N703 WeakPolarHBondContact OG1-CB 3.5Å; T701-N703 PolarHBondContact OG1-N 3.07Å; T701-N703 VanDerWaalsContact OG1-N 3.15Å; T701-D706 HydrophobicContact CG2-CB 3.4Å; T701-D706 PolarHBondContact OG1-OD2 3.21Å; T701-L710 HydrophobicContact CG2-CD1 4.17Å
702N87Confident93.6Very high158 Ų15847.2 Ų47.285%0.84524%0.241SC*.  trans-98.91.3171.7-71.1-28.2000112.1F704N702-F704 PolarHBondContact O-N 3.37Å
703N92Very high93.7Very high37 Ų3744 Ų4420%0.19823%0.225CC..  trans-66.4131.5178.8-176.4-75000110.2T701 M705 D706 R707 R754T701-N703 WeakPolarHBondContact OG1-CB 3.5Å; T701-N703 PolarHBondContact OG1-N 3.07Å; T701-N703 VanDerWaalsContact OG1-N 3.15Å; N703-M705 PolarHBondContact O-N 3.43Å; N703-M705 PolarHBondContact OD1-N 3.4Å; N703-D706 HydrophobicContact CB-CB 4.05Å; N703-D706 WeakPolarHBondContact CB-OD2 3.38Å; N703-D706 PolarHBondContact O-N 3.42Å; N703-D706 PolarHBondContact OD1-N 2.73Å; N703-R707 WeakPolarHBondContact O-CG 3.21Å; N703-R707 PolarHBondContact O-N 2.8Å; N703-R754 PolarHBondContact ND2-NH1 2.93Å
704F93.3Very high93.9Very high56 Ų5643.7 Ų43.725%0.24622%0.223CC..Hα-helixtrans-56.8-45.7-177.4175-99.8000112.8N702 R707 W708 I846 I849 V850 Y897N702-F704 PolarHBondContact O-N 3.37Å; F704-R707 PolarHBondContact O-N 2.75Å; F704-W708 PolarHBondContact O-N 2.87Å; F704-I846 HydrophobicContact CE2-CG1 4.33Å; F704-I846 HydrophobicContact CE2-CG2 3.96Å; F704-I846 HydrophobicContact CZ-CG2 4.2Å; F704-I849 HydrophobicContact CE1-CG2 4.47Å; F704-I849 HydrophobicContact CE2-CD1 4.46Å; F704-I849 HydrophobicContact CE2-CG2 4.2Å; F704-I849 HydrophobicContact CZ-CB 4.12Å; F704-I849 HydrophobicContact CZ-CG2 3.56Å; F704-V850 HydrophobicContact CE1-CG2 3.62Å; F704-V850 HydrophobicContact CZ-CG2 3.71Å; F704-Y897 AromaticContact CD1-CE2 3.71Å; F704-Y897 HydrophobicContact CD1-CE2 3.71Å; F704-Y897 HydrophobicContact CE1-CE2 4.22Å
705M94.8Very high94Very high0 Ų041.1 Ų41.10%021%0.214CC..Hα-helixtrans-73.5-31.7-178.3-69.3-61.5-66.800112.7N703 W708 I709 Y747 M750 N751 V850 Y897N703-M705 PolarHBondContact O-N 3.43Å; N703-M705 PolarHBondContact OD1-N 3.4Å; M705-W708 HydrophobicContact CE-CE3 3.57Å; M705-W708 HydrophobicContact CE-CZ3 3.69Å; M705-W708 PolarHBondContact O-N 3.48Å; M705-W708 HydrophobicContact SD-CE3 4.38Å; M705-I709 PolarHBondContact O-N 3.44Å; M705-Y747 HydrophobicContact CB-CD2 4.34Å; M705-Y747 HydrophobicContact CB-CE2 4.46Å; M705-M750 HydrophobicContact CE-CB 4.48Å; M705-M750 HydrophobicContact CE-SD 3.59Å; M705-M750 VanDerWaalsContact CE-SD 3.59Å; M705-M750 HydrophobicContact SD-SD 4.28Å; M705-N751 WeakPolarHBondContact CB-ND2 3.34Å; M705-V850 HydrophobicContact SD-CG2 4.47Å; M705-Y897 HydrophobicContact CG-CE1 3.79Å; M705-Y897 HydrophobicContact CG-CE2 4.35Å; M705-Y897 WeakPolarHBondContact CG-OH 3.29Å; M705-Y897 HydrophobicContact SD-CE1 4.4Å; M705-Y897 HydrophobicContact SD-CE2 4.49Å
706D95.9Very high94.4Very high0 Ų040.5 Ų40.50%021%0.209CC..Hα-helixtrans-65.8-47.4173.7-64.9-0.3000110.5T701 N703 W708 I709 L710 Y747 R754 T772T701-D706 HydrophobicContact CG2-CB 3.4Å; T701-D706 PolarHBondContact OG1-OD2 3.21Å; N703-D706 HydrophobicContact CB-CB 4.05Å; N703-D706 WeakPolarHBondContact CB-OD2 3.38Å; N703-D706 PolarHBondContact O-N 3.42Å; N703-D706 PolarHBondContact OD1-N 2.73Å; D706-W708 VanDerWaalsContact C-N 3.28Å; D706-W708 PolarHBondContact O-N 3.38Å; D706-I709 WeakPolarHBondContact O-CG2 3.39Å; D706-I709 PolarHBondContact O-N 2.79Å; D706-L710 WeakPolarHBondContact O-CB 3.5Å; D706-L710 WeakPolarHBondContact O-CD1 3.24Å; D706-L710 VanDerWaalsContact O-CG 3.23Å; D706-L710 WeakPolarHBondContact O-CG 3.41Å; D706-L710 PolarHBondContact O-N 3.38Å; D706-Y747 WeakPolarHBondContact OD1-CE2 3.32Å; D706-Y747 PolarHBondContact OD1-OH 3.24Å; D706-Y747 VanDerWaalsContact OD1-OH 3.05Å; D706-R754 IonicContact OD1-CZ 3.78Å; D706-R754 IonicContact OD1-NH1 3.52Å; D706-R754 PolarHBondContact OD1-NH1 2.85Å; D706-R754 IonicContact OD2-CZ 2.82Å; D706-R754 VanDerWaalsContact OD2-CZ 3.32Å; D706-R754 IonicContact OD2-NH1 3.15Å; D706-R754 PolarHBondContact OD2-NH1 3.32Å; D706-R754 IonicContact OD2-NH2 3.55Å; D706-R754 PolarHBondContact OD2-NH2 3.25Å; D706-T772 HydrophobicContact CB-CG2 3.89Å
707R96.2Very high94.8Very high124 Ų12435.8 Ų35.847%0.46818%0.184SC..Hα-helixtrans-59.8-40.8176.3-71.1-177.764.7-165.8-2.2111.5N703 F704 S711 I846N703-R707 WeakPolarHBondContact O-CG 3.21Å; N703-R707 PolarHBondContact O-N 2.8Å; F704-R707 PolarHBondContact O-N 2.75Å; R707-S711 VanDerWaalsContact O-CB 3.32Å; R707-S711 WeakPolarHBondContact O-CB 3.31Å; R707-S711 PolarHBondContact O-N 3.24Å; R707-I846 HydrophobicContact CB-CD1 4.08Å
708W97Very high95Very high5 Ų533.7 Ų33.72%0.01918%0.176CC..Hα-helixtrans-60.6-54.5175168.865.5000112.5F704 M705 D706 L710 S711 F712 H742 W746 I846 V850F704-W708 PolarHBondContact O-N 2.87Å; M705-W708 HydrophobicContact CE-CE3 3.57Å; M705-W708 HydrophobicContact CE-CZ3 3.69Å; M705-W708 PolarHBondContact O-N 3.48Å; M705-W708 HydrophobicContact SD-CE3 4.38Å; D706-W708 VanDerWaalsContact C-N 3.28Å; D706-W708 PolarHBondContact O-N 3.38Å; W708-L710 VanDerWaalsContact C-N 3.26Å; W708-L710 PolarHBondContact O-N 3.06Å; W708-S711 WeakPolarHBondContact O-CB 3.49Å; W708-S711 PolarHBondContact O-N 2.71Å; W708-F712 HydrophobicContact CZ2-CD1 4.26Å; W708-F712 WeakPolarHBondContact O-CB 3.33Å; W708-F712 PolarHBondContact O-N 3Å; W708-H742 HydrophobicContact CH2-CB 4.13Å; W708-W746 HydrophobicContact CH2-CB 4.11Å; W708-W746 HydrophobicContact CZ3-CB 4.35Å; W708-I846 HydrophobicContact CB-CG2 3.53Å; W708-I846 HydrophobicContact CG-CG2 4.27Å; W708-V850 HydrophobicContact CB-CG2 3.98Å; W708-V850 HydrophobicContact CD2-CB 4.11Å; W708-V850 HydrophobicContact CD2-CG1 3.69Å; W708-V850 HydrophobicContact CD2-CG2 3.95Å; W708-V850 HydrophobicContact CE3-CG1 4.28Å; W708-V850 HydrophobicContact CG-CB 3.95Å; W708-V850 HydrophobicContact CG-CG1 4.1Å; W708-V850 HydrophobicContact CG-CG2 3.52Å; W708-V850 HydrophobicContact CH2-CG1 4.14Å; W708-V850 HydrophobicContact CZ2-CG1 3.55Å; W708-V850 HydrophobicContact CZ3-CG1 4.47Å
709I97.5Very high95.2Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-66.3-32.7-174.2-165.563.5000111.3M705 D706 T713 F739 Y747 T772 V776M705-I709 PolarHBondContact O-N 3.44Å; D706-I709 WeakPolarHBondContact O-CG2 3.39Å; D706-I709 PolarHBondContact O-N 2.79Å; I709-T713 WeakPolarHBondContact O-CB 3.34Å; I709-T713 PolarHBondContact O-N 3.3Å; I709-T713 PolarHBondContact O-OG1 3.11Å; I709-F739 HydrophobicContact CD1-CE2 4.19Å; I709-F739 HydrophobicContact CD1-CZ 3.9Å; I709-F739 HydrophobicContact CG1-CZ 4.5Å; I709-Y747 HydrophobicContact CB-CD2 3.74Å; I709-Y747 HydrophobicContact CB-CE2 4.17Å; I709-Y747 HydrophobicContact CB-CG 4.08Å; I709-Y747 HydrophobicContact CG1-CD2 4.25Å; I709-Y747 HydrophobicContact CG1-CG 4.07Å; I709-Y747 HydrophobicContact CG2-CD1 4.48Å; I709-Y747 HydrophobicContact CG2-CD2 3.54Å; I709-Y747 HydrophobicContact CG2-CE1 4.38Å; I709-Y747 HydrophobicContact CG2-CE2 3.43Å; I709-Y747 VanDerWaalsContact CG2-CE2 3.43Å; I709-Y747 HydrophobicContact CG2-CG 4.08Å; I709-T772 HydrophobicContact CG2-CG2 3.79Å; I709-V776 HydrophobicContact CG1-CG1 4.08Å; I709-V776 HydrophobicContact CG1-CG2 4Å; I709-V776 HydrophobicContact CG2-CG2 4.01Å
710L97.2Very high95.4Very high10 Ų1032.4 Ų32.45%0.05217%0.169CC..Hα-helixtrans-65.9-49.3173.6-69.1167.1000111.2F698 P699 T701 D706 W708 F712 T713 Q714 T772 V776F698-L710 HydrophobicContact CD1-CD2 4.36Å; P699-L710 HydrophobicContact CG-CD1 3.63Å; P699-L710 HydrophobicContact CG-CD2 4.19Å; T701-L710 HydrophobicContact CG2-CD1 4.17Å; D706-L710 WeakPolarHBondContact O-CB 3.5Å; D706-L710 WeakPolarHBondContact O-CD1 3.24Å; D706-L710 VanDerWaalsContact O-CG 3.23Å; D706-L710 WeakPolarHBondContact O-CG 3.41Å; D706-L710 PolarHBondContact O-N 3.38Å; W708-L710 VanDerWaalsContact C-N 3.26Å; W708-L710 PolarHBondContact O-N 3.06Å; L710-F712 PolarHBondContact O-N 3.12Å; L710-T713 PolarHBondContact O-N 3.2Å; L710-Q714 WeakPolarHBondContact O-CG 3.46Å; L710-Q714 PolarHBondContact O-N 3.11Å; L710-T772 HydrophobicContact CD1-CG2 4.13Å; L710-T772 HydrophobicContact CD2-CG2 4.17Å; L710-T772 HydrophobicContact CG-CG2 3.95Å; L710-V776 HydrophobicContact CD2-CG2 4.17Å
711S97.6Very high95.8Very high0 Ų027.6 Ų27.60%013%0.133CC..Hα-helixtrans-54.2-52.8173.9178.40000110.9R707 W708 T713 Q714 S715 L841 S843 E847R707-S711 VanDerWaalsContact O-CB 3.32Å; R707-S711 WeakPolarHBondContact O-CB 3.31Å; R707-S711 PolarHBondContact O-N 3.24Å; W708-S711 WeakPolarHBondContact O-CB 3.49Å; W708-S711 PolarHBondContact O-N 2.71Å; S711-T713 VanDerWaalsContact C-N 3.27Å; S711-T713 PolarHBondContact O-N 2.91Å; S711-Q714 PolarHBondContact O-N 3.25Å; S711-S715 PolarHBondContact O-N 3.43Å; S711-S715 PolarHBondContact O-OG 3.22Å; S711-L841 WeakPolarHBondContact CA-O 3.33Å; S711-L841 WeakPolarHBondContact CB-O 3.45Å; S711-S843 PolarHBondContact OG-N 3.18Å; S711-E847 PolarHBondContact OG-OE1 2.82Å
712F97.2Very high96.1Very high50 Ų5031.7 Ų31.722%0.21915%0.151CC..Hα-helixtrans-62.8-35.1-177-170.4-125.1000112.3W708 L710 L716 F739 H742 E847W708-F712 HydrophobicContact CZ2-CD1 4.26Å; W708-F712 WeakPolarHBondContact O-CB 3.33Å; W708-F712 PolarHBondContact O-N 3Å; L710-F712 PolarHBondContact O-N 3.12Å; F712-L716 WeakPolarHBondContact O-CB 3.43Å; F712-L716 PolarHBondContact O-N 3.1Å; F712-F739 AromaticContact CD1-CD2 3.52Å; F712-F739 HydrophobicContact CD1-CD2 3.52Å; F712-F739 AromaticContact CD1-CE2 3.5Å; F712-F739 HydrophobicContact CD1-CE2 3.5Å; F712-F739 AromaticContact CE1-CD2 3.45Å; F712-F739 HydrophobicContact CE1-CD2 3.45Å; F712-F739 VanDerWaalsContact CE1-CD2 3.45Å; F712-F739 AromaticContact CE1-CE2 3.95Å; F712-F739 HydrophobicContact CE1-CE2 3.95Å; F712-F739 HydrophobicContact CE1-CG 4.39Å; F712-F739 HydrophobicContact CG-CE2 4.35Å; F712-F739 HydrophobicContact CZ-CD2 4.41Å; F712-H742 HydrophobicContact CD1-CB 4.48Å; F712-H742 HydrophobicContact CE1-CB 3.93Å; F712-H742 AromaticContact CE1-CD2 3.5Å; F712-H742 VanDerWaalsContact CE1-CD2 3.5Å; F712-H742 WeakPolarHBondContact CE1-CD2 3.25Å; F712-H742 AromaticContact CE1-CG 3.86Å; F712-H742 AromaticContact CZ-CD2 3.69Å; F712-E847 WeakPolarHBondContact CA-OE1 3.48Å; F712-E847 PolarHBondContact N-OE1 3.25Å
713T97.8Very high96.6Very high0 Ų025.1 Ų25.10%012%0.116CC..Hα-helixtrans-64.8-44.1172.5-56.10000111.2I709 L710 S711 L716 I717 F739 Q779 I780I709-T713 WeakPolarHBondContact O-CB 3.34Å; I709-T713 PolarHBondContact O-N 3.3Å; I709-T713 PolarHBondContact O-OG1 3.11Å; L710-T713 PolarHBondContact O-N 3.2Å; S711-T713 VanDerWaalsContact C-N 3.27Å; S711-T713 PolarHBondContact O-N 2.91Å; T713-L716 PolarHBondContact O-N 2.89Å; T713-I717 HydrophobicContact CG2-CD1 4.08Å; T713-I717 VanDerWaalsContact O-CG1 3.29Å; T713-I717 WeakPolarHBondContact O-CG1 3.46Å; T713-I717 PolarHBondContact O-N 3.34Å; T713-F739 VanDerWaalsContact OG1-CZ 3.28Å; T713-F739 WeakPolarHBondContact OG1-CZ 3.23Å; T713-Q779 HydrophobicContact CG2-CB 4.08Å; T713-I780 HydrophobicContact CG2-CD1 4.27Å; T713-I780 HydrophobicContact CG2-CG1 4.42Å
714Q97.6Very high96.7Very high0 Ų023.6 Ų23.60%011%0.107CC..Hα-helixtrans-66.7-42.4177.8-63.4-42.4-72.500112.1L710 S711 L716 I717 L718 Q779 K838 L841 I842L710-Q714 WeakPolarHBondContact O-CG 3.46Å; L710-Q714 PolarHBondContact O-N 3.11Å; S711-Q714 PolarHBondContact O-N 3.25Å; Q714-L716 VanDerWaalsContact C-N 3.29Å; Q714-L716 PolarHBondContact O-N 3.28Å; Q714-I717 PolarHBondContact O-N 3.29Å; Q714-L718 PolarHBondContact O-N 2.79Å; Q714-Q779 VanDerWaalsContact NE2-NE2 3.17Å; Q714-K838 HydrophobicContact CG-CB 4.36Å; Q714-L841 HydrophobicContact CG-CB 4.02Å; Q714-L841 HydrophobicContact CG-CD1 4.44Å; Q714-I842 HydrophobicContact CB-CD1 4.1Å; Q714-I842 HydrophobicContact CB-CG1 3.58Å
715S97.7Very high96.7Very high20 Ų2024.8 Ų24.814%0.1412%0.123CC..Hα-helixtrans-59.3-39.5173.7-64.80000112S711 F719 I842 E847S711-S715 PolarHBondContact O-N 3.43Å; S711-S715 PolarHBondContact O-OG 3.22Å; S715-F719 WeakPolarHBondContact O-CB 3.43Å; S715-F719 PolarHBondContact O-N 3.47Å; S715-I842 WeakPolarHBondContact OG-CG2 3.23Å; S715-E847 WeakPolarHBondContact CB-OE1 3.36Å; S715-E847 PolarHBondContact OG-OE1 2.96Å; S715-E847 PolarHBondContact OG-OE2 3.19Å
716L97.6Very high96.7Very high9 Ų925.6 Ų25.65%0.04713%0.131CC..Hα-helixtrans-66.7-44.8174.9178.463000112F712 T713 Q714 L718 F719 V720 R735 L736 F739 I780 L783F712-L716 WeakPolarHBondContact O-CB 3.43Å; F712-L716 PolarHBondContact O-N 3.1Å; T713-L716 PolarHBondContact O-N 2.89Å; Q714-L716 VanDerWaalsContact C-N 3.29Å; Q714-L716 PolarHBondContact O-N 3.28Å; L716-L718 VanDerWaalsContact C-N 3.34Å; L716-L718 PolarHBondContact O-N 3.13Å; L716-F719 PolarHBondContact O-N 2.82Å; L716-V720 HydrophobicContact CD1-CG2 3.99Å; L716-V720 HydrophobicContact CG-CG2 4.35Å; L716-V720 VanDerWaalsContact O-CG2 3.31Å; L716-V720 WeakPolarHBondContact O-CG2 3.31Å; L716-V720 PolarHBondContact O-N 2.67Å; L716-R735 HydrophobicContact CD1-CB 4.05Å; L716-L736 HydrophobicContact CD1-CD2 4.37Å; L716-L736 HydrophobicContact CD2-CD2 4.16Å; L716-L736 HydrophobicContact CG-CD2 4.44Å; L716-F739 HydrophobicContact CD2-CB 3.63Å; L716-F739 HydrophobicContact CD2-CD1 4.31Å; L716-F739 HydrophobicContact CD2-CD2 3.4Å; L716-F739 HydrophobicContact CD2-CE2 4.16Å; L716-F739 HydrophobicContact CD2-CG 3.49Å; L716-F739 VanDerWaalsContact CD2-CG 3.49Å; L716-I780 HydrophobicContact CD2-CD1 3.7Å; L716-L783 HydrophobicContact CD2-CD2 4.4Å; L716-L783 HydrophobicContact CG-CD2 4.16Å
717I97.6Very high96.7Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-58.4-48.2177-71164.3000110.3T713 Q714 F719 V720 H721 Q779 L783 P835 P837T713-I717 HydrophobicContact CG2-CD1 4.08Å; T713-I717 VanDerWaalsContact O-CG1 3.29Å; T713-I717 WeakPolarHBondContact O-CG1 3.46Å; T713-I717 PolarHBondContact O-N 3.34Å; Q714-I717 PolarHBondContact O-N 3.29Å; I717-F719 PolarHBondContact O-N 3.43Å; I717-V720 PolarHBondContact O-N 3.25Å; I717-H721 PolarHBondContact O-CD2 3.47Å; I717-H721 VanDerWaalsContact O-CD2 3.31Å; I717-H721 PolarHBondContact O-N 3.38Å; I717-Q779 HydrophobicContact CD1-CB 4.38Å; I717-L783 HydrophobicContact CG1-CD2 4.01Å; I717-P835 HydrophobicContact CD1-CB 4.15Å; I717-P835 HydrophobicContact CD1-CG 3.89Å; I717-P835 HydrophobicContact CG1-CG 4.21Å; I717-P835 HydrophobicContact CG2-CG 4.48Å; I717-P835 WeakPolarHBondContact CG2-O 3.3Å; I717-P837 HydrophobicContact CB-CB 4.38Å; I717-P837 HydrophobicContact CG2-CB 3.93Å; I717-P837 HydrophobicContact CG2-CG 4.32Å
718L97.3Very high96.5Very high54 Ų5425.1 Ų25.128%0.28313%0.129SC..Hα-helixtrans-56-51.3176.5178.663.6000111.1Q714 L716 V720 H721 E722 P837 L839 I842Q714-L718 PolarHBondContact O-N 2.79Å; L716-L718 VanDerWaalsContact C-N 3.34Å; L716-L718 PolarHBondContact O-N 3.13Å; L718-V720 PolarHBondContact O-N 3.27Å; L718-H721 PolarHBondContact O-N 3.22Å; L718-E722 HydrophobicContact CD1-CG 4.46Å; L718-E722 WeakPolarHBondContact O-CG 3.33Å; L718-E722 PolarHBondContact O-N 3Å; L718-P837 HydrophobicContact CB-CB 4.08Å; L718-P837 HydrophobicContact CB-CG 4.28Å; L718-P837 HydrophobicContact CD1-CG 4.15Å; L718-L839 HydrophobicContact CD1-CD2 4.47Å; L718-L839 HydrophobicContact CD2-CD2 4.21Å; L718-I842 HydrophobicContact CD2-CD1 4.17Å
719F97.5Very high96.2Very high24 Ų2425 Ų2511%0.10513%0.129CC..Hα-helixtrans-58.9-46178.7174.3-98.8000112.6S715 L716 I717 H721 E722 E723 R735S715-F719 WeakPolarHBondContact O-CB 3.43Å; S715-F719 PolarHBondContact O-N 3.47Å; L716-F719 PolarHBondContact O-N 2.82Å; I717-F719 PolarHBondContact O-N 3.43Å; F719-H721 VanDerWaalsContact C-N 3.29Å; F719-H721 PolarHBondContact O-N 2.97Å; F719-E722 PolarHBondContact O-N 3.28Å; F719-E723 HydrophobicContact CD1-CG 4.24Å; F719-E723 HydrophobicContact CD2-CG 3.93Å; F719-E723 HydrophobicContact CE1-CG 3.84Å; F719-E723 HydrophobicContact CE2-CG 3.49Å; F719-E723 VanDerWaalsContact CE2-CG 3.49Å; F719-E723 HydrophobicContact CG-CG 4.3Å; F719-E723 HydrophobicContact CZ-CG 3.46Å; F719-E723 VanDerWaalsContact CZ-CG 3.46Å; F719-E723 WeakPolarHBondContact O-CB 3.33Å; F719-E723 VanDerWaalsContact O-CG 3.27Å; F719-E723 WeakPolarHBondContact O-CG 3.44Å; F719-E723 PolarHBondContact O-N 2.86Å; F719-R735 HydrophobicContact CD1-CG 4.44Å; F719-R735 VanDerWaalsContact CD2-NH1 3.28Å; F719-R735 HydrophobicContact CE1-CB 4.22Å; F719-R735 HydrophobicContact CE1-CG 3.85Å; F719-R735 HydrophobicContact CZ-CG 4.31Å; F719-R735 VanDerWaalsContact CZ-CZ 3.43Å
720V97.1Very high95.8Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-63-39.6179.5171.50000110.8L716 I717 L718 L724 V732 L736 L783L716-V720 HydrophobicContact CD1-CG2 3.99Å; L716-V720 HydrophobicContact CG-CG2 4.35Å; L716-V720 VanDerWaalsContact O-CG2 3.31Å; L716-V720 WeakPolarHBondContact O-CG2 3.31Å; L716-V720 PolarHBondContact O-N 2.67Å; I717-V720 PolarHBondContact O-N 3.25Å; L718-V720 PolarHBondContact O-N 3.27Å; V720-L724 HydrophobicContact CG1-CD1 3.68Å; V720-L724 HydrophobicContact CG1-CG 4.14Å; V720-L724 VanDerWaalsContact O-CB 3.3Å; V720-L724 WeakPolarHBondContact O-CB 3.32Å; V720-L724 WeakPolarHBondContact O-CG 3.24Å; V720-L724 PolarHBondContact O-N 3.28Å; V720-V732 HydrophobicContact CG1-CG1 4.11Å; V720-V732 HydrophobicContact CG2-CG1 3.88Å; V720-L736 HydrophobicContact CG2-CD2 4.1Å; V720-L736 HydrophobicContact CG2-CG 4.41Å; V720-L783 HydrophobicContact CB-CD1 4.08Å; V720-L783 HydrophobicContact CB-CD2 4.32Å; V720-L783 HydrophobicContact CG1-CD1 3.76Å; V720-L783 HydrophobicContact CG1-CG 4.26Å; V720-L783 HydrophobicContact CG2-CD2 4.03Å
721H96.3Very high95.5Very high15 Ų1529.1 Ų29.17%0.06915%0.148CC..Hα-helixtrans-65-44.8176.7-73.2-35.4000113.1Y82 R86 I717 L718 F719 S725 P835Y82-H721 AromaticContact CE2-CE1 3.89Å; Y82-H721 AromaticContact CE2-ND1 3.56Å; Y82-H721 AromaticContact CZ-ND1 3.6Å; Y82-H721 WeakPolarHBondContact OH-CA 3.49Å; Y82-H721 PolarHBondContact OH-ND1 3.07Å; R86-H721 PolarHBondContact NH1-NE2 2.94Å; I717-H721 PolarHBondContact O-CD2 3.47Å; I717-H721 VanDerWaalsContact O-CD2 3.31Å; I717-H721 PolarHBondContact O-N 3.38Å; L718-H721 PolarHBondContact O-N 3.22Å; F719-H721 VanDerWaalsContact C-N 3.29Å; F719-H721 PolarHBondContact O-N 2.97Å; H721-S725 VanDerWaalsContact O-CB 3.23Å; H721-S725 WeakPolarHBondContact O-CB 3.39Å; H721-S725 PolarHBondContact O-N 2.93Å; H721-S725 PolarHBondContact O-OG 3.35Å; H721-P835 PolarHBondContact NE2-O 2.92Å
722E96.5Very high95.3Very high104 Ų10429.1 Ų29.149%0.48615%0.148SC..Hα-helixtrans-61-47.8176.4-71.5175.6173.700111.5L718 F719 S725 G726L718-E722 HydrophobicContact CD1-CG 4.46Å; L718-E722 WeakPolarHBondContact O-CG 3.33Å; L718-E722 PolarHBondContact O-N 3Å; F719-E722 PolarHBondContact O-N 3.28Å; E722-S725 PolarHBondContact O-N 2.97Å; E722-G726 PolarHBondContact O-N 2.64Å; E722-G726 VanDerWaalsContact O-N 3.17Å
723E96.1Very high94.9Very high20 Ų2026.8 Ų26.89%0.09314%0.138CC..Hα-helixtrans-70.4-41.8-176.5-67.8-59.7113.400113F719 G726 Y727 R728 T731 V732F719-E723 HydrophobicContact CD1-CG 4.24Å; F719-E723 HydrophobicContact CD2-CG 3.93Å; F719-E723 HydrophobicContact CE1-CG 3.84Å; F719-E723 HydrophobicContact CE2-CG 3.49Å; F719-E723 VanDerWaalsContact CE2-CG 3.49Å; F719-E723 HydrophobicContact CG-CG 4.3Å; F719-E723 HydrophobicContact CZ-CG 3.46Å; F719-E723 VanDerWaalsContact CZ-CG 3.46Å; F719-E723 WeakPolarHBondContact O-CB 3.33Å; F719-E723 VanDerWaalsContact O-CG 3.27Å; F719-E723 WeakPolarHBondContact O-CG 3.44Å; F719-E723 PolarHBondContact O-N 2.86Å; E723-G726 CarbonylContact O-C 3.57Å; E723-G726 WeakPolarHBondContact O-CA 3.37Å; E723-G726 PolarHBondContact O-N 3.05Å; E723-Y727 PolarHBondContact O-N 2.88Å; E723-Y727 VanDerWaalsContact O-N 3.1Å; E723-R728 HydrophobicContact CB-CB 4.45Å; E723-R728 VanDerWaalsContact CD-NE 3.32Å; E723-R728 PolarHBondContact O-N 3Å; E723-R728 IonicContact OE1-CZ 2.78Å; E723-R728 IonicContact OE1-NE 2.91Å; E723-R728 PolarHBondContact OE1-NE 3.46Å; E723-R728 IonicContact OE1-NH2 3.75Å; E723-R728 PolarHBondContact OE1-NH2 3.41Å; E723-R728 WeakPolarHBondContact OE2-CB 3.35Å; E723-R728 IonicContact OE2-CZ 2.64Å; E723-R728 IonicContact OE2-NE 2.77Å; E723-R728 PolarHBondContact OE2-NE 3.44Å; E723-R728 IonicContact OE2-NH2 3.68Å; E723-T731 VanDerWaalsContact CD-OG1 3.27Å; E723-T731 VanDerWaalsContact CG-OG1 3.27Å; E723-T731 WeakPolarHBondContact CG-OG1 3.2Å; E723-T731 WeakPolarHBondContact OE2-CB 3.34Å; E723-T731 WeakPolarHBondContact OE2-CG2 3.4Å; E723-T731 PolarHBondContact OE2-OG1 2.99Å; E723-V732 HydrophobicContact CB-CG2 3.47Å; E723-V732 VanDerWaalsContact CB-CG2 3.47Å; E723-V732 HydrophobicContact CG-CG2 4.29Å
724L95.1Very high94.6Very high4 Ų429.7 Ų29.72%0.02116%0.157CC..Hα-helixtrans-71.8-30.6176.9-70.8-178.5000112.6I79 Y82 V720 G726 Y727 L729 V732 F787I79-L724 HydrophobicContact CD1-CD2 4.33Å; Y82-L724 HydrophobicContact CD1-CB 3.98Å; Y82-L724 HydrophobicContact CD1-CD1 3.95Å; Y82-L724 HydrophobicContact CD2-CD1 3.53Å; Y82-L724 HydrophobicContact CE1-CB 3.54Å; Y82-L724 HydrophobicContact CE1-CD1 4.03Å; Y82-L724 HydrophobicContact CE1-CG 4.46Å; Y82-L724 HydrophobicContact CE2-CB 4.4Å; Y82-L724 HydrophobicContact CE2-CD1 3.62Å; Y82-L724 HydrophobicContact CG-CD1 3.69Å; V720-L724 HydrophobicContact CG1-CD1 3.68Å; V720-L724 HydrophobicContact CG1-CG 4.14Å; V720-L724 VanDerWaalsContact O-CB 3.3Å; V720-L724 WeakPolarHBondContact O-CB 3.32Å; V720-L724 WeakPolarHBondContact O-CG 3.24Å; V720-L724 PolarHBondContact O-N 3.28Å; L724-G726 PolarHBondContact O-N 3.25Å; L724-Y727 PolarHBondContact O-N 3.09Å; L724-L729 HydrophobicContact CD2-CD1 3.81Å; L724-V732 HydrophobicContact CD2-CG2 4.22Å; L724-V732 HydrophobicContact CG-CG2 4.22Å; L724-F787 HydrophobicContact CD1-CE2 4.43Å; L724-F787 HydrophobicContact CD1-CZ 4.02Å; L724-F787 HydrophobicContact CD2-CZ 4.36Å
725S93.3Very high94.4Very high82 Ų8236.2 Ų36.257%0.57318%0.182SC*.Hα-helixtrans-64.4-31.1170.9-58.50000111.5H721 E722 Y727H721-S725 VanDerWaalsContact O-CB 3.23Å; H721-S725 WeakPolarHBondContact O-CB 3.39Å; H721-S725 PolarHBondContact O-N 2.93Å; H721-S725 PolarHBondContact O-OG 3.35Å; E722-S725 PolarHBondContact O-N 2.97Å; S725-Y727 VanDerWaalsContact C-N 3.34Å
726G94.5Very high94.2Very high17 Ų1735.4 Ų35.418%0.17518%0.176CC..THydrogen-bonded Turntrans-86.67.7169.500000115E722 E723 L724 R728E722-G726 PolarHBondContact O-N 2.64Å; E722-G726 VanDerWaalsContact O-N 3.17Å; E723-G726 CarbonylContact O-C 3.57Å; E723-G726 WeakPolarHBondContact O-CA 3.37Å; E723-G726 PolarHBondContact O-N 3.05Å; L724-G726 PolarHBondContact O-N 3.25Å; G726-R728 WeakPolarHBondContact O-CG 3.49Å; G726-R728 PolarHBondContact O-N 3.4Å; G726-R728 VanDerWaalsContact O-N 3.12Å
727Y95.2Very high93.8Very high22 Ų2236.4 Ų36.49%0.08618%0.182CC..THydrogen-bonded Turntrans57.819.4-177.7-62-97.8000114.9I79 L446 D567 F568 N598 I600 E723 L724 S725 L729I79-Y727 HydrophobicContact CD1-CD1 4.39Å; I79-Y727 HydrophobicContact CG2-CD1 4.27Å; I79-Y727 HydrophobicContact CG2-CE1 3.87Å; L446-Y727 HydrophobicContact CD2-CD2 4.33Å; D567-Y727 PolarHBondContact O-OH 3.28Å; F568-Y727 HydrophobicContact CB-CE1 3.93Å; F568-Y727 AromaticContact CD2-CD1 3.65Å; F568-Y727 HydrophobicContact CD2-CD1 3.65Å; F568-Y727 AromaticContact CD2-CE1 3.42Å; F568-Y727 HydrophobicContact CD2-CE1 3.42Å; F568-Y727 VanDerWaalsContact CD2-CE1 3.42Å; F568-Y727 AromaticContact CE2-CD1 3.97Å; F568-Y727 HydrophobicContact CE2-CD1 3.97Å; F568-Y727 HydrophobicContact CE2-CE1 4.16Å; F568-Y727 HydrophobicContact CG-CD1 4.48Å; F568-Y727 AromaticContact CG-CE1 3.85Å; F568-Y727 HydrophobicContact CG-CE1 3.85Å; N598-Y727 HydrophobicContact CB-CD1 4.27Å; N598-Y727 HydrophobicContact CB-CD2 3.81Å; N598-Y727 HydrophobicContact CB-CE1 3.96Å; N598-Y727 HydrophobicContact CB-CE2 3.49Å; N598-Y727 VanDerWaalsContact CB-CE2 3.49Å; N598-Y727 HydrophobicContact CB-CG 4.2Å; N598-Y727 WeakPolarHBondContact ND2-CE2 3.35Å; N598-Y727 PolarHBondContact ND2-OH 2.85Å; N598-Y727 WeakPolarHBondContact OD1-CE2 3.03Å; I600-Y727 HydrophobicContact CD1-CD1 4.13Å; I600-Y727 HydrophobicContact CG1-CD1 4.37Å; E723-Y727 PolarHBondContact O-N 2.88Å; E723-Y727 VanDerWaalsContact O-N 3.1Å; L724-Y727 PolarHBondContact O-N 3.09Å; S725-Y727 VanDerWaalsContact C-N 3.34Å; Y727-L729 VanDerWaalsContact C-N 3.33Å; Y727-L729 PolarHBondContact O-N 2.87Å
728R93.4Very high93.6Very high91 Ų9142.2 Ų42.234%0.34321%0.208SC..  trans-85.364-176.4-63.6-173.8-66.6-118.3-1.7112.2E723 G726 Y730 T731E723-R728 HydrophobicContact CB-CB 4.45Å; E723-R728 VanDerWaalsContact CD-NE 3.32Å; E723-R728 PolarHBondContact O-N 3Å; E723-R728 IonicContact OE1-CZ 2.78Å; E723-R728 IonicContact OE1-NE 2.91Å; E723-R728 PolarHBondContact OE1-NE 3.46Å; E723-R728 IonicContact OE1-NH2 3.75Å; E723-R728 PolarHBondContact OE1-NH2 3.41Å; E723-R728 WeakPolarHBondContact OE2-CB 3.35Å; E723-R728 IonicContact OE2-CZ 2.64Å; E723-R728 IonicContact OE2-NE 2.77Å; E723-R728 PolarHBondContact OE2-NE 3.44Å; E723-R728 IonicContact OE2-NH2 3.68Å; G726-R728 WeakPolarHBondContact O-CG 3.49Å; G726-R728 PolarHBondContact O-N 3.4Å; G726-R728 VanDerWaalsContact O-N 3.12Å; R728-Y730 HydrophobicContact CB-CE1 4.13Å; R728-Y730 HydrophobicContact CG-CE1 4.31Å; R728-Y730 PolarHBondContact O-N 2.85Å; R728-Y730 VanDerWaalsContact O-N 3.1Å; R728-T731 HydrophobicContact CB-CG2 4.36Å; R728-T731 PolarHBondContact O-N 3.29Å; R728-T731 PolarHBondContact O-OG1 3.01Å
729L90.8Very high93.5Very high3 Ų339.7 Ų39.72%0.01619%0.194CC..Hα-helixtrans-56.6-33.2-176.2-166.767.4000113.8I75 I78 I640 V645 L724 Y727 T731 V732 F787I75-L729 HydrophobicContact CG1-CD2 4.04Å; I78-L729 HydrophobicContact CD1-CD2 4.22Å; I78-L729 HydrophobicContact CG2-CD1 3.9Å; I640-L729 HydrophobicContact CB-CD2 4.26Å; I640-L729 HydrophobicContact CG2-CD2 4.12Å; V645-L729 HydrophobicContact CG1-CD2 4.12Å; L724-L729 HydrophobicContact CD2-CD1 3.81Å; Y727-L729 VanDerWaalsContact C-N 3.33Å; Y727-L729 PolarHBondContact O-N 2.87Å; L729-T731 PolarHBondContact O-N 3.43Å; L729-V732 PolarHBondContact O-N 3.48Å; L729-F787 HydrophobicContact CD1-CD1 4.43Å; L729-F787 HydrophobicContact CD1-CE1 3.56Å; L729-F787 HydrophobicContact CD1-CZ 4.29Å
730Y88.1Confident93.3Very high62 Ų6238.6 Ų38.624%0.24319%0.19CC..Hα-helixtrans-67.8-16.4-175.963.2-95.4000114.9V448 V645 R646 R728V448-Y730 HydrophobicContact CG1-CD1 4.35Å; V448-Y730 HydrophobicContact CG1-CE1 3.79Å; V645-Y730 VanDerWaalsContact CG2-CB 3.48Å; R646-Y730 VanDerWaalsContact CG-CB 3.47Å; R646-Y730 HydrophobicContact CG-CD1 3.8Å; R646-Y730 HydrophobicContact CG-CD2 3.8Å; R646-Y730 HydrophobicContact CG-CG 3.41Å; R646-Y730 VanDerWaalsContact CG-CG 3.41Å; R728-Y730 HydrophobicContact CB-CE1 4.13Å; R728-Y730 HydrophobicContact CG-CE1 4.31Å; R728-Y730 PolarHBondContact O-N 2.85Å; R728-Y730 VanDerWaalsContact O-N 3.1Å
731T91Very high93.1Very high35 Ų3541.5 Ų41.522%0.21521%0.205CC..Hα-helixtrans-91.9-25.8177.761.50000112.1E723 R728 L729E723-T731 VanDerWaalsContact CD-OG1 3.27Å; E723-T731 VanDerWaalsContact CG-OG1 3.27Å; E723-T731 WeakPolarHBondContact CG-OG1 3.2Å; E723-T731 WeakPolarHBondContact OE2-CB 3.34Å; E723-T731 WeakPolarHBondContact OE2-CG2 3.4Å; E723-T731 PolarHBondContact OE2-OG1 2.99Å; R728-T731 HydrophobicContact CB-CG2 4.36Å; R728-T731 PolarHBondContact O-N 3.29Å; R728-T731 PolarHBondContact O-OG1 3.01Å; L729-T731 PolarHBondContact O-N 3.43Å
732V92.9Very high93.1Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-75.5-52.4-173.1170.30000111.9V720 E723 L724 L729 R735 L736 F787V720-V732 HydrophobicContact CG1-CG1 4.11Å; V720-V732 HydrophobicContact CG2-CG1 3.88Å; E723-V732 HydrophobicContact CB-CG2 3.47Å; E723-V732 VanDerWaalsContact CB-CG2 3.47Å; E723-V732 HydrophobicContact CG-CG2 4.29Å; L724-V732 HydrophobicContact CD2-CG2 4.22Å; L724-V732 HydrophobicContact CG-CG2 4.22Å; L729-V732 PolarHBondContact O-N 3.48Å; V732-R735 PolarHBondContact O-N 3.42Å; V732-R735 VanDerWaalsContact O-N 3.09Å; V732-L736 HydrophobicContact CG1-CD1 3.42Å; V732-L736 VanDerWaalsContact CG1-CD1 3.42Å; V732-L736 HydrophobicContact CG1-CG 3.98Å; V732-L736 PolarHBondContact O-N 2.89Å; V732-F787 HydrophobicContact CG1-CE1 3.97Å; V732-F787 HydrophobicContact CG1-CZ 3.6Å
733V90Very high93Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-59.9-44.4-169.2-177.10000113.2L637 I640 N641 R735 L736 V737 F787L637-V733 HydrophobicContact CD1-CG1 3.55Å; L637-V733 HydrophobicContact CG-CG1 4.48Å; I640-V733 HydrophobicContact CB-CG2 4.3Å; I640-V733 HydrophobicContact CD1-CG2 3.78Å; I640-V733 HydrophobicContact CG1-CG1 4.15Å; I640-V733 HydrophobicContact CG1-CG2 3.77Å; N641-V733 HydrophobicContact CB-CG1 3.58Å; V733-R735 VanDerWaalsContact C-N 3.26Å; V733-R735 PolarHBondContact O-N 3.37Å; V733-L736 PolarHBondContact O-N 3.47Å; V733-V737 HydrophobicContact CG1-CG2 4.33Å; V733-V737 WeakPolarHBondContact O-CG2 3.43Å; V733-V737 PolarHBondContact O-N 2.88Å; V733-F787 HydrophobicContact CG2-CD1 4.25Å; V733-F787 HydrophobicContact CG2-CE1 4.13Å
734P90.8Very high92.9Very high62 Ų6236.6 Ų36.640%0.40318%0.184SC..Hα-helixtrans-60.1-35.4177.3-24.735000113.3K738P734-K738 VanDerWaalsContact O-CB 3.29Å; P734-K738 WeakPolarHBondContact O-CB 3.34Å; P734-K738 PolarHBondContact O-N 3Å
735R93.9Very high92.7Very high137 Ų13739.5 Ų39.552%0.51720%0.199SC..Hα-helixtrans-73.6-39.6178.4-63.8-153.4-169.7-175.5-1.3112.1L716 F719 V732 V733 K738 F739L716-R735 HydrophobicContact CD1-CB 4.05Å; F719-R735 HydrophobicContact CD1-CG 4.44Å; F719-R735 VanDerWaalsContact CD2-NH1 3.28Å; F719-R735 HydrophobicContact CE1-CB 4.22Å; F719-R735 HydrophobicContact CE1-CG 3.85Å; F719-R735 HydrophobicContact CZ-CG 4.31Å; F719-R735 VanDerWaalsContact CZ-CZ 3.43Å; V732-R735 PolarHBondContact O-N 3.42Å; V732-R735 VanDerWaalsContact O-N 3.09Å; V733-R735 VanDerWaalsContact C-N 3.26Å; V733-R735 PolarHBondContact O-N 3.37Å; R735-K738 PolarHBondContact O-N 3.49Å; R735-F739 WeakPolarHBondContact O-CB 3.4Å; R735-F739 PolarHBondContact O-N 2.99Å
736L93.2Very high92.8Very high2 Ų235.8 Ų35.81%0.0117%0.173CC..Hα-helixtrans-60.2-47.8174.2-72.4172.7000111.3L716 V720 V732 V733 K738 F739 I740 L783 M784 F787L716-L736 HydrophobicContact CD1-CD2 4.37Å; L716-L736 HydrophobicContact CD2-CD2 4.16Å; L716-L736 HydrophobicContact CG-CD2 4.44Å; V720-L736 HydrophobicContact CG2-CD2 4.1Å; V720-L736 HydrophobicContact CG2-CG 4.41Å; V732-L736 HydrophobicContact CG1-CD1 3.42Å; V732-L736 VanDerWaalsContact CG1-CD1 3.42Å; V732-L736 HydrophobicContact CG1-CG 3.98Å; V732-L736 PolarHBondContact O-N 2.89Å; V733-L736 PolarHBondContact O-N 3.47Å; L736-K738 PolarHBondContact O-N 3.1Å; L736-F739 WeakPolarHBondContact O-CB 3.28Å; L736-F739 PolarHBondContact O-N 3.5Å; L736-I740 PolarHBondContact O-N 2.94Å; L736-L783 HydrophobicContact CD2-CD2 3.9Å; L736-L783 HydrophobicContact CD2-CG 4.33Å; L736-M784 HydrophobicContact CB-SD 3.76Å; L736-M784 HydrophobicContact CD1-SD 3.68Å; L736-M784 HydrophobicContact CD2-CG 4.48Å; L736-M784 HydrophobicContact CD2-SD 3.91Å; L736-M784 HydrophobicContact CG-SD 3.99Å; L736-F787 HydrophobicContact CD1-CD1 4.38Å; L736-F787 HydrophobicContact CD1-CD2 4.05Å; L736-F787 HydrophobicContact CD1-CE1 4.13Å; L736-F787 HydrophobicContact CD1-CE2 3.81Å; L736-F787 HydrophobicContact CD1-CG 4.33Å; L736-F787 HydrophobicContact CD1-CZ 3.86Å
737V90Very high92.9Very high31 Ų3135 Ų3519%0.18816%0.164CC..Hα-helixtrans-61.2-46.3177.3170.20000111L637 V664 V733 F739 I740 D741L637-V737 HydrophobicContact CD1-CG2 4.4Å; L637-V737 HydrophobicContact CD2-CG2 4.09Å; L637-V737 HydrophobicContact CG-CG2 4.43Å; V664-V737 HydrophobicContact CG2-CG1 3.67Å; V664-V737 HydrophobicContact CG2-CG2 4.26Å; V733-V737 HydrophobicContact CG1-CG2 4.33Å; V733-V737 WeakPolarHBondContact O-CG2 3.43Å; V733-V737 PolarHBondContact O-N 2.88Å; V737-F739 VanDerWaalsContact C-N 3.26Å; V737-F739 PolarHBondContact O-N 2.92Å; V737-I740 PolarHBondContact O-N 3.13Å; V737-D741 PolarHBondContact O-N 2.86Å
738K92Very high92.8Very high122 Ų12234.5 Ų34.553%0.5316%0.164SC..Hα-helixtrans-63.6-30.8177.3-169.2175.4-177.7-179.10112.7P734 R735 L736 I740 D741 H742P734-K738 VanDerWaalsContact O-CB 3.29Å; P734-K738 WeakPolarHBondContact O-CB 3.34Å; P734-K738 PolarHBondContact O-N 3Å; R735-K738 PolarHBondContact O-N 3.49Å; L736-K738 PolarHBondContact O-N 3.1Å; K738-I740 VanDerWaalsContact C-N 3.34Å; K738-I740 PolarHBondContact O-N 3.41Å; K738-D741 WeakPolarHBondContact O-CB 3.44Å; K738-D741 PolarHBondContact O-N 3.45Å; K738-H742 VanDerWaalsContact CE-NE2 3.32Å; K738-H742 WeakPolarHBondContact CE-NE2 3.3Å; K738-H742 PolarHBondContact O-CD2 3.45Å; K738-H742 PolarHBondContact O-N 3.13Å
739F95.6Very high92.7Very high1 Ų135.6 Ų35.60%0.00417%0.168CC..Hα-helixtrans-63.4-39.7175.7-176.2-81.4000112.2I709 F712 T713 L716 R735 L736 V737 D741 H742 L743 V776 I780I709-F739 HydrophobicContact CD1-CE2 4.19Å; I709-F739 HydrophobicContact CD1-CZ 3.9Å; I709-F739 HydrophobicContact CG1-CZ 4.5Å; F712-F739 AromaticContact CD1-CD2 3.52Å; F712-F739 HydrophobicContact CD1-CD2 3.52Å; F712-F739 AromaticContact CD1-CE2 3.5Å; F712-F739 HydrophobicContact CD1-CE2 3.5Å; F712-F739 AromaticContact CE1-CD2 3.45Å; F712-F739 HydrophobicContact CE1-CD2 3.45Å; F712-F739 VanDerWaalsContact CE1-CD2 3.45Å; F712-F739 AromaticContact CE1-CE2 3.95Å; F712-F739 HydrophobicContact CE1-CE2 3.95Å; F712-F739 HydrophobicContact CE1-CG 4.39Å; F712-F739 HydrophobicContact CG-CE2 4.35Å; F712-F739 HydrophobicContact CZ-CD2 4.41Å; T713-F739 VanDerWaalsContact OG1-CZ 3.28Å; T713-F739 WeakPolarHBondContact OG1-CZ 3.23Å; L716-F739 HydrophobicContact CD2-CB 3.63Å; L716-F739 HydrophobicContact CD2-CD1 4.31Å; L716-F739 HydrophobicContact CD2-CD2 3.4Å; L716-F739 HydrophobicContact CD2-CE2 4.16Å; L716-F739 HydrophobicContact CD2-CG 3.49Å; L716-F739 VanDerWaalsContact CD2-CG 3.49Å; R735-F739 WeakPolarHBondContact O-CB 3.4Å; R735-F739 PolarHBondContact O-N 2.99Å; L736-F739 WeakPolarHBondContact O-CB 3.28Å; L736-F739 PolarHBondContact O-N 3.5Å; V737-F739 VanDerWaalsContact C-N 3.26Å; V737-F739 PolarHBondContact O-N 2.92Å; F739-D741 VanDerWaalsContact C-N 3.25Å; F739-D741 PolarHBondContact O-N 3.48Å; F739-H742 WeakPolarHBondContact O-CB 3.46Å; F739-H742 PolarHBondContact O-N 3.17Å; F739-H742 VanDerWaalsContact O-N 3.11Å; F739-L743 HydrophobicContact CE1-CB 4.12Å; F739-L743 PolarHBondContact O-N 3.07Å; F739-V776 HydrophobicContact CE1-CG1 3.95Å; F739-V776 HydrophobicContact CZ-CG1 3.74Å; F739-I780 HydrophobicContact CD1-CD1 3.56Å; F739-I780 HydrophobicContact CD1-CG1 3.82Å; F739-I780 HydrophobicContact CD1-CG2 4.49Å; F739-I780 HydrophobicContact CD2-CD1 4.38Å; F739-I780 HydrophobicContact CE1-CD1 3.49Å; F739-I780 VanDerWaalsContact CE1-CD1 3.49Å; F739-I780 HydrophobicContact CE1-CG1 3.37Å; F739-I780 HydrophobicContact CE2-CD1 4.25Å; F739-I780 HydrophobicContact CG-CD1 4.05Å; F739-I780 HydrophobicContact CZ-CD1 3.84Å; F739-I780 HydrophobicContact CZ-CG1 3.92Å
740I94.2Very high92.8Very high1 Ų137 Ų371%0.00518%0.175CC..Hα-helixtrans-60.8-39.4176.6-59.5-59.2000110.6V664 P667 W668 L736 V737 K738 L743 V744 I780V664-I740 HydrophobicContact CG1-CG1 4.3Å; P667-I740 HydrophobicContact CB-CG2 4.46Å; W668-I740 HydrophobicContact CB-CG2 4.03Å; W668-I740 HydrophobicContact CD2-CD1 4Å; W668-I740 HydrophobicContact CG-CD1 4.06Å; L736-I740 PolarHBondContact O-N 2.94Å; V737-I740 PolarHBondContact O-N 3.13Å; K738-I740 VanDerWaalsContact C-N 3.34Å; K738-I740 PolarHBondContact O-N 3.41Å; I740-L743 PolarHBondContact O-N 3.23Å; I740-V744 HydrophobicContact CG2-CG2 4.38Å; I740-V744 VanDerWaalsContact O-CG2 3.3Å; I740-V744 WeakPolarHBondContact O-CG2 3.28Å; I740-V744 PolarHBondContact O-N 3.19Å; I740-I780 HydrophobicContact CD1-CG2 3.97Å
741D93Very high92.9Very high60 Ų6034.4 Ų34.432%0.32117%0.165SC..Hα-helixtrans-60.7-47.9171.6179.574.2000111.8V737 K738 F739 L743 V744 N745V737-D741 PolarHBondContact O-N 2.86Å; K738-D741 WeakPolarHBondContact O-CB 3.44Å; K738-D741 PolarHBondContact O-N 3.45Å; F739-D741 VanDerWaalsContact C-N 3.25Å; F739-D741 PolarHBondContact O-N 3.48Å; D741-L743 VanDerWaalsContact C-N 3.33Å; D741-L743 PolarHBondContact O-N 2.79Å; D741-V744 PolarHBondContact O-N 2.97Å; D741-N745 WeakPolarHBondContact O-CB 3.32Å; D741-N745 PolarHBondContact O-N 3.27Å; D741-N745 PolarHBondContact OD1-ND2 2.94Å
742H94.7Very high92.9Very high10 Ų1039.2 Ų39.25%0.04618%0.179CC..Iπ-helixtrans-58.6-41.1175.5-73-58.4000113.4W708 F712 K738 F739 W746 Y747 Q854W708-H742 HydrophobicContact CH2-CB 4.13Å; F712-H742 HydrophobicContact CD1-CB 4.48Å; F712-H742 HydrophobicContact CE1-CB 3.93Å; F712-H742 AromaticContact CE1-CD2 3.5Å; F712-H742 VanDerWaalsContact CE1-CD2 3.5Å; F712-H742 WeakPolarHBondContact CE1-CD2 3.25Å; F712-H742 AromaticContact CE1-CG 3.86Å; F712-H742 AromaticContact CZ-CD2 3.69Å; K738-H742 VanDerWaalsContact CE-NE2 3.32Å; K738-H742 WeakPolarHBondContact CE-NE2 3.3Å; K738-H742 PolarHBondContact O-CD2 3.45Å; K738-H742 PolarHBondContact O-N 3.13Å; F739-H742 WeakPolarHBondContact O-CB 3.46Å; F739-H742 PolarHBondContact O-N 3.17Å; F739-H742 VanDerWaalsContact O-N 3.11Å; H742-W746 AromaticContact ND1-CD1 3.73Å; H742-W746 WeakPolarHBondContact O-CB 3.07Å; H742-W746 PolarHBondContact O-N 2.87Å; H742-Y747 PolarHBondContact O-N 2.84Å; H742-Q854 PolarHBondContact CE1-OE1 2.86Å; H742-Q854 PolarHBondContact ND1-NE2 3.49Å; H742-Q854 VanDerWaalsContact ND1-NE2 3.18Å
743L95.1Very high92.7Very high0 Ų044.7 Ų44.70%020%0.203CC..Iπ-helixtrans-62.9-50.4176.8176.860.8000111.3F739 I740 D741 Y747 V748 L773 V776 I777F739-L743 HydrophobicContact CE1-CB 4.12Å; F739-L743 PolarHBondContact O-N 3.07Å; I740-L743 PolarHBondContact O-N 3.23Å; D741-L743 VanDerWaalsContact C-N 3.33Å; D741-L743 PolarHBondContact O-N 2.79Å; L743-Y747 HydrophobicContact CD1-CD1 4.1Å; L743-V748 HydrophobicContact CD1-CG2 4.45Å; L743-V748 WeakPolarHBondContact O-CB 3.46Å; L743-V748 WeakPolarHBondContact O-CG2 3.48Å; L743-V748 PolarHBondContact O-N 3.47Å; L743-L773 HydrophobicContact CD1-CD1 3.88Å; L743-V776 HydrophobicContact CD1-CG1 3.87Å; L743-I777 HydrophobicContact CD2-CG1 4.14Å
744V93.7Very high92.7Very high26 Ų2645.8 Ų45.816%0.15821%0.207CC..Iπ-helixtrans-79.5-53-171.9178.10000111.8P667 A671 I740 D741 R749P667-V744 HydrophobicContact CB-CB 4.49Å; P667-V744 HydrophobicContact CB-CG1 4.33Å; P667-V744 HydrophobicContact CB-CG2 3.98Å; P667-V744 WeakPolarHBondContact O-CG2 3.46Å; A671-V744 HydrophobicContact CB-CG2 4.09Å; I740-V744 HydrophobicContact CG2-CG2 4.38Å; I740-V744 VanDerWaalsContact O-CG2 3.3Å; I740-V744 WeakPolarHBondContact O-CG2 3.28Å; I740-V744 PolarHBondContact O-N 3.19Å; D741-V744 PolarHBondContact O-N 2.97Å; V744-R749 PolarHBondContact O-N 3.5Å
745N92Very high92.8Very high66 Ų6642.8 Ų42.835%0.35319%0.188SC..Iπ-helixtrans-86.7-14.7-167.8-72.7-35000113.6D741 R749D741-N745 WeakPolarHBondContact O-CB 3.32Å; D741-N745 PolarHBondContact O-N 3.27Å; D741-N745 PolarHBondContact OD1-ND2 2.94Å; N745-R749 WeakPolarHBondContact O-CB 3.33Å; N745-R749 WeakPolarHBondContact O-CD 3.44Å
746W94.7Very high92.6Very high4 Ų439.7 Ų39.72%0.01518%0.178CC..Iπ-helixtrans-115.3-66176.5-61.691000111.8W708 H742 M750 M853 Q854 V857 E858W708-W746 HydrophobicContact CH2-CB 4.11Å; W708-W746 HydrophobicContact CZ3-CB 4.35Å; H742-W746 AromaticContact ND1-CD1 3.73Å; H742-W746 WeakPolarHBondContact O-CB 3.07Å; H742-W746 PolarHBondContact O-N 2.87Å; W746-M750 HydrophobicContact CE3-CE 3.47Å; W746-M750 VanDerWaalsContact CE3-CE 3.47Å; W746-M750 HydrophobicContact CE3-SD 4.25Å; W746-M750 HydrophobicContact CZ3-CE 3.67Å; W746-M750 VanDerWaalsContact O-CB 3.29Å; W746-M750 WeakPolarHBondContact O-CB 3.35Å; W746-M750 VanDerWaalsContact O-CG 3.27Å; W746-M750 WeakPolarHBondContact O-CG 3.28Å; W746-M750 PolarHBondContact O-N 3.24Å; W746-M853 HydrophobicContact CE3-CE 4.23Å; W746-M853 HydrophobicContact CZ3-CE 4.34Å; W746-Q854 HydrophobicContact CD2-CG 3.66Å; W746-Q854 HydrophobicContact CE3-CG 3.7Å; W746-Q854 HydrophobicContact CG-CG 4.39Å; W746-Q854 HydrophobicContact CH2-CB 3.87Å; W746-Q854 HydrophobicContact CH2-CG 3.75Å; W746-Q854 HydrophobicContact CZ2-CB 3.85Å; W746-Q854 HydrophobicContact CZ2-CG 3.71Å; W746-Q854 HydrophobicContact CZ3-CB 4.3Å; W746-Q854 HydrophobicContact CZ3-CG 3.75Å; W746-V857 HydrophobicContact CH2-CB 3.82Å; W746-V857 HydrophobicContact CH2-CG1 3.68Å; W746-V857 HydrophobicContact CZ3-CB 4.14Å; W746-V857 HydrophobicContact CZ3-CG1 3.98Å; W746-E858 HydrophobicContact CH2-CG 4.43Å; W746-E858 HydrophobicContact CZ2-CG 4.04Å
747Y96.1Very high92.2Very high0 Ų040.7 Ų40.70%019%0.189CC..Iπ-helixtrans-63.9-56.3-173.9178.5-102.5000112.8M705 D706 I709 H742 L743 R749 M750 N751 T772 L773M705-Y747 HydrophobicContact CB-CD2 4.34Å; M705-Y747 HydrophobicContact CB-CE2 4.46Å; D706-Y747 WeakPolarHBondContact OD1-CE2 3.32Å; D706-Y747 PolarHBondContact OD1-OH 3.24Å; D706-Y747 VanDerWaalsContact OD1-OH 3.05Å; I709-Y747 HydrophobicContact CB-CD2 3.74Å; I709-Y747 HydrophobicContact CB-CE2 4.17Å; I709-Y747 HydrophobicContact CB-CG 4.08Å; I709-Y747 HydrophobicContact CG1-CD2 4.25Å; I709-Y747 HydrophobicContact CG1-CG 4.07Å; I709-Y747 HydrophobicContact CG2-CD1 4.48Å; I709-Y747 HydrophobicContact CG2-CD2 3.54Å; I709-Y747 HydrophobicContact CG2-CE1 4.38Å; I709-Y747 HydrophobicContact CG2-CE2 3.43Å; I709-Y747 VanDerWaalsContact CG2-CE2 3.43Å; I709-Y747 HydrophobicContact CG2-CG 4.08Å; H742-Y747 PolarHBondContact O-N 2.84Å; L743-Y747 HydrophobicContact CD1-CD1 4.1Å; Y747-R749 VanDerWaalsContact C-N 3.35Å; Y747-R749 PolarHBondContact O-N 2.93Å; Y747-M750 PolarHBondContact O-N 3.29Å; Y747-N751 WeakPolarHBondContact O-CB 3.49Å; Y747-N751 PolarHBondContact O-N 2.71Å; Y747-N751 PolarHBondContact O-ND2 2.76Å; Y747-N751 VanDerWaalsContact O-ND2 3.12Å; Y747-T772 HydrophobicContact CE2-CG2 4.48Å; Y747-T772 WeakPolarHBondContact OH-CB 3.37Å; Y747-T772 VanDerWaalsContact OH-CG2 3.27Å; Y747-T772 WeakPolarHBondContact OH-CG2 3.43Å; Y747-L773 HydrophobicContact CD1-CD1 4.22Å; Y747-L773 HydrophobicContact CE1-CB 4.13Å; Y747-L773 HydrophobicContact CE1-CD1 3.98Å
748V94.6Very high91.7Very high12 Ų1244.6 Ų44.67%0.07321%0.209CC..Iπ-helixtrans-65.1-38.9-178.9170.50000111.2F674 L743 R752 L773F674-V748 HydrophobicContact CD1-CG1 3.64Å; F674-V748 HydrophobicContact CE1-CG1 3.84Å; F674-V748 HydrophobicContact CG-CG1 4.18Å; L743-V748 HydrophobicContact CD1-CG2 4.45Å; L743-V748 WeakPolarHBondContact O-CB 3.46Å; L743-V748 WeakPolarHBondContact O-CG2 3.48Å; L743-V748 PolarHBondContact O-N 3.47Å; V748-R752 WeakPolarHBondContact O-CA 3.4Å; V748-R752 WeakPolarHBondContact O-CB 3.49Å; V748-R752 PolarHBondContact O-N 2.68Å; V748-L773 HydrophobicContact CG2-CD1 3.91Å; V748-L773 HydrophobicContact CG2-CD2 4.36Å
749R91.3Very high90.6Very high113 Ų11343.4 Ų43.443%0.42621%0.211SC..Hα-helixtrans-59.8-53.8176.5177.4-175.3-90.1-145.10.2111.5V744 N745 Y747 N751 R752 E901V744-R749 PolarHBondContact O-N 3.5Å; N745-R749 WeakPolarHBondContact O-CB 3.33Å; N745-R749 WeakPolarHBondContact O-CD 3.44Å; Y747-R749 VanDerWaalsContact C-N 3.35Å; Y747-R749 PolarHBondContact O-N 2.93Å; R749-N751 PolarHBondContact O-N 2.75Å; R749-R752 WeakPolarHBondContact O-CB 3.2Å; R749-R752 PolarHBondContact O-N 2.92Å; R749-E901 IonicContact NH1-OE2 3.87Å; R749-E901 PolarHBondContact NH1-OE2 2.83Å; R749-E901 VanDerWaalsContact NH1-OE2 3.12Å
750M91.2Very high89.1Confident34 Ų3445 Ų4517%0.16722%0.221CC..Hα-helixtrans-72.1-29.3-173.8-69.2175.3164.800112.6M705 W746 Y747 M853 Y897 E901M705-M750 HydrophobicContact CE-CB 4.48Å; M705-M750 HydrophobicContact CE-SD 3.59Å; M705-M750 VanDerWaalsContact CE-SD 3.59Å; M705-M750 HydrophobicContact SD-SD 4.28Å; W746-M750 HydrophobicContact CE3-CE 3.47Å; W746-M750 VanDerWaalsContact CE3-CE 3.47Å; W746-M750 HydrophobicContact CE3-SD 4.25Å; W746-M750 HydrophobicContact CZ3-CE 3.67Å; W746-M750 VanDerWaalsContact O-CB 3.29Å; W746-M750 WeakPolarHBondContact O-CB 3.35Å; W746-M750 VanDerWaalsContact O-CG 3.27Å; W746-M750 WeakPolarHBondContact O-CG 3.28Å; W746-M750 PolarHBondContact O-N 3.24Å; Y747-M750 PolarHBondContact O-N 3.29Å; M750-M853 HydrophobicContact CE-CE 3.82Å; M750-M853 HydrophobicContact CE-SD 4.36Å; M750-M853 HydrophobicContact SD-CE 4.08Å; M750-Y897 HydrophobicContact SD-CD1 4.08Å; M750-E901 HydrophobicContact CE-CG 3.48Å; M750-E901 VanDerWaalsContact CE-CG 3.48Å
751N92Very high87.8Confident7 Ų754.8 Ų54.84%0.03727%0.267CS..THydrogen-bonded Turntrans-96.37.5178.1-71.2-80.2000113.6M705 Y747 R749 K753 R754 L755M705-N751 WeakPolarHBondContact CB-ND2 3.34Å; Y747-N751 WeakPolarHBondContact O-CB 3.49Å; Y747-N751 PolarHBondContact O-N 2.71Å; Y747-N751 PolarHBondContact O-ND2 2.76Å; Y747-N751 VanDerWaalsContact O-ND2 3.12Å; R749-N751 PolarHBondContact O-N 2.75Å; N751-K753 VanDerWaalsContact C-N 3.33Å; N751-K753 PolarHBondContact O-N 3.44Å; N751-R754 WeakPolarHBondContact O-CB 3.47Å; N751-R754 PolarHBondContact O-N 3.31Å; N751-R754 PolarHBondContact OD1-NH1 2.64Å; N751-L755 HydrophobicContact CB-CD1 3.78Å; N751-L755 HydrophobicContact CB-CG 4.1Å; N751-L755 WeakPolarHBondContact O-CB 3.45Å; N751-L755 WeakPolarHBondContact O-CG 3.41Å; N751-L755 PolarHBondContact O-N 3.13Å
752R90.7Very high87.3Confident136 Ų13656 Ų5651%0.51327%0.273SS..Hα-helixtrans-54.9-45.6-169.4-162.6-178.7-155.4177.57.7113.6F674 V748 R749 K756F674-R752 HydrophobicContact CE2-CG 3.67Å; F674-R752 HydrophobicContact CZ-CB 4.44Å; F674-R752 HydrophobicContact CZ-CG 3.56Å; V748-R752 WeakPolarHBondContact O-CA 3.4Å; V748-R752 WeakPolarHBondContact O-CB 3.49Å; V748-R752 PolarHBondContact O-N 2.68Å; R749-R752 WeakPolarHBondContact O-CB 3.2Å; R749-R752 PolarHBondContact O-N 2.92Å; R752-K756 WeakPolarHBondContact O-CG 3.38Å; R752-K756 PolarHBondContact O-N 3.02Å; R752-K756 VanDerWaalsContact O-N 3.13Å
753K87.8Confident86.9Confident115 Ų11560.4 Ų60.450%0.529%0.294SS..Hα-helixtrans-68.2-39.1-179.1-56.1174.9-179.31540111.1N751 K756 G757 D758 V759 E900N751-K753 VanDerWaalsContact C-N 3.33Å; N751-K753 PolarHBondContact O-N 3.44Å; K753-K756 PolarHBondContact O-N 3.15Å; K753-G757 PolarHBondContact O-N 3.37Å; K753-D758 HydrophobicContact CB-CB 4.3Å; K753-D758 PolarHBondContact O-N 3Å; K753-V759 HydrophobicContact CB-CG2 3.19Å; K753-V759 HydrophobicContact CD-CG2 4.17Å; K753-V759 HydrophobicContact CG-CG2 4.3Å; K753-E900 IonicContact NZ-OE1 3.23Å; K753-E900 PolarHBondContact NZ-OE1 3.38Å
754R91Very high86.6Confident22 Ų2266.1 Ų66.18%0.08333%0.325CS..Hα-helixtrans-65-45176.2-178.7170.8169.3-113.9-3111.6N703 D706 N751 K756 G757 V760 D765 A769N703-R754 PolarHBondContact ND2-NH1 2.93Å; D706-R754 IonicContact OD1-CZ 3.78Å; D706-R754 IonicContact OD1-NH1 3.52Å; D706-R754 PolarHBondContact OD1-NH1 2.85Å; D706-R754 IonicContact OD2-CZ 2.82Å; D706-R754 VanDerWaalsContact OD2-CZ 3.32Å; D706-R754 IonicContact OD2-NH1 3.15Å; D706-R754 PolarHBondContact OD2-NH1 3.32Å; D706-R754 IonicContact OD2-NH2 3.55Å; D706-R754 PolarHBondContact OD2-NH2 3.25Å; N751-R754 WeakPolarHBondContact O-CB 3.47Å; N751-R754 PolarHBondContact O-N 3.31Å; N751-R754 PolarHBondContact OD1-NH1 2.64Å; R754-K756 VanDerWaalsContact C-N 3.3Å; R754-K756 PolarHBondContact O-N 3.16Å; R754-G757 PolarHBondContact O-N 3.43Å; R754-G757 VanDerWaalsContact O-N 3.12Å; R754-V760 HydrophobicContact CB-CG2 4.42Å; R754-V760 HydrophobicContact CG-CG2 4Å; R754-D765 IonicContact CZ-OD1 3.16Å; R754-D765 IonicContact CZ-OD2 2.71Å; R754-D765 IonicContact NE-OD1 2.64Å; R754-D765 PolarHBondContact NE-OD1 2.9Å; R754-D765 IonicContact NE-OD2 3.2Å; R754-D765 PolarHBondContact NE-OD2 3.16Å; R754-D765 IonicContact NH2-OD1 3.8Å; R754-D765 PolarHBondContact NH2-OD1 2.79Å; R754-D765 IonicContact NH2-OD2 2.8Å; R754-A769 HydrophobicContact CG-CB 4.14Å
755L92.5Very high86.4Confident0 Ų067.3 Ų67.30%033%0.33CS..Hα-helixtrans-64.8-32.1178.2-70.6162.2000112.9F674 S679 N751 G757 W766 A769 L770 L773F674-L755 HydrophobicContact CE1-CB 3.79Å; F674-L755 HydrophobicContact CE1-CD1 3.79Å; F674-L755 HydrophobicContact CE1-CG 4.39Å; F674-L755 HydrophobicContact CZ-CB 4.06Å; S679-L755 VanDerWaalsContact CB-O 3.32Å; S679-L755 WeakPolarHBondContact CB-O 3.43Å; N751-L755 HydrophobicContact CB-CD1 3.78Å; N751-L755 HydrophobicContact CB-CG 4.1Å; N751-L755 WeakPolarHBondContact O-CB 3.45Å; N751-L755 WeakPolarHBondContact O-CG 3.41Å; N751-L755 PolarHBondContact O-N 3.13Å; L755-G757 VanDerWaalsContact C-N 3.34Å; L755-W766 PolarHBondContact O-NE1 3.34Å; L755-A769 HydrophobicContact CD2-CB 3.94Å; L755-A769 WeakPolarHBondContact CD2-O 3.47Å; L755-L770 HydrophobicContact CD2-CD2 4.35Å; L755-L773 HydrophobicContact CD1-CD2 4.09Å; L755-L773 HydrophobicContact CD2-CB 4.17Å; L755-L773 HydrophobicContact CD2-CD2 4.07Å
756K90Very high86.4Confident72 Ų7264.9 Ų64.931%0.31332%0.316SS..Hα-helixtrans-77.3-15.1174.4-75.9-176.7169.3-156.60114.8F674 S678 R752 K753 R754 D758 W766F674-K756 HydrophobicContact CE2-CG 4.25Å; F674-K756 HydrophobicContact CZ-CG 4.17Å; S678-K756 WeakPolarHBondContact O-CG 3.43Å; R752-K756 WeakPolarHBondContact O-CG 3.38Å; R752-K756 PolarHBondContact O-N 3.02Å; R752-K756 VanDerWaalsContact O-N 3.13Å; K753-K756 PolarHBondContact O-N 3.15Å; R754-K756 VanDerWaalsContact C-N 3.3Å; R754-K756 PolarHBondContact O-N 3.16Å; K756-D758 VanDerWaalsContact C-N 3.33Å; K756-D758 WeakPolarHBondContact CD-OD2 3.35Å; K756-W766 WeakPolarHBondContact O-CZ2 3.26Å
757G84.6Confident86.4Confident22 Ų2268.6 Ų68.623%0.22733%0.332CS..THydrogen-bonded Turntrans76.915.1-170.200000114.1K753 R754 L755 V759K753-G757 PolarHBondContact O-N 3.37Å; R754-G757 PolarHBondContact O-N 3.43Å; R754-G757 VanDerWaalsContact O-N 3.12Å; L755-G757 VanDerWaalsContact C-N 3.34Å; G757-V759 VanDerWaalsContact C-N 3.28Å; G757-V759 PolarHBondContact O-N 3.48Å
758D78.9Confident86.3Confident114 Ų11469.2 Ų69.261%0.6134%0.337SS*.SBendtrans-71-22.5-176.4-69.3-28.9000113.1K753 K756K753-D758 HydrophobicContact CB-CB 4.3Å; K753-D758 PolarHBondContact O-N 3Å; K756-D758 VanDerWaalsContact C-N 3.33Å; K756-D758 WeakPolarHBondContact CD-OD2 3.35Å
759V69Low86.3Confident96 Ų9668.7 Ų68.758%0.58233%0.334SS*.SBendtrans-125.32.1-171.4-129.10000113.1K753 G757K753-V759 HydrophobicContact CB-CG2 3.19Å; K753-V759 HydrophobicContact CD-CG2 4.17Å; K753-V759 HydrophobicContact CG-CG2 4.3Å; G757-V759 VanDerWaalsContact C-N 3.28Å; G757-V759 PolarHBondContact O-N 3.48Å
760V64.5Low86.5Confident36 Ų3663.3 Ų63.322%0.21831%0.314CS..  trans-100.8110.2-163.8-169.80000110.7R754 N762 D765 W766R754-V760 HydrophobicContact CB-CG2 4.42Å; R754-V760 HydrophobicContact CG-CG2 4Å; V760-N762 VanDerWaalsContact C-N 3.34Å; V760-N762 WeakPolarHBondContact CG1-O 3.45Å; V760-D765 HydrophobicContact CG1-CB 4.24Å; V760-W766 HydrophobicContact CB-CB 4.31Å; V760-W766 HydrophobicContact CG1-CB 3.95Å; V760-W766 HydrophobicContact CG2-CB 4.44Å
761E67.3Low86.7Confident205 Ų20562.4 Ų62.496%0.95831%0.309SS*.SBendtrans-75.8-24.9170.9-63.7-178.2173.200112
762N82.7Confident87Confident86 Ų8662 Ų6246%0.4631%0.307SS..  trans-108.7110-176.2-176.1-5.7000112.8V760 D764 D765 W766V760-N762 VanDerWaalsContact C-N 3.34Å; V760-N762 WeakPolarHBondContact CG1-O 3.45Å; N762-D764 PolarHBondContact O-N 3.01Å; N762-D764 WeakPolarHBondContact OD1-CB 3.26Å; N762-D764 PolarHBondContact OD1-N 3.32Å; N762-D765 HydrophobicContact CB-CB 4.3Å; N762-D765 PolarHBondContact O-N 3.48Å; N762-D765 VanDerWaalsContact O-N 3.11Å; N762-W766 PolarHBondContact O-N 3.19Å
763Q85.5Confident87.3Confident102 Ų10255.6 Ų55.648%0.47728%0.283SS..Hα-helixtrans-56.3-32.5178.6-69.3-176.9-13.500113.9T687 W766 K767T687-Q763 HydrophobicContact CG2-CG 4.39Å; Q763-W766 PolarHBondContact O-N 3.04Å; Q763-K767 PolarHBondContact O-N 3.34Å
764D88.8Confident87.7Confident121 Ų12150.1 Ų50.165%0.64726%0.259SS*.Hα-helixtrans-68.2-38179-69.7-32.4000112N762 K767 A768N762-D764 PolarHBondContact O-N 3.01Å; N762-D764 WeakPolarHBondContact OD1-CB 3.26Å; N762-D764 PolarHBondContact OD1-N 3.32Å; D764-K767 PolarHBondContact O-N 2.82Å; D764-A768 WeakPolarHBondContact O-CB 3.49Å; D764-A768 PolarHBondContact O-N 3.38Å
765D90.3Very high88Confident51 Ų5149.6 Ų49.627%0.27326%0.257SS..Hα-helixtrans-66.5-39.417518065.9000111.3R754 V760 N762 A768 A769R754-D765 IonicContact CZ-OD1 3.16Å; R754-D765 IonicContact CZ-OD2 2.71Å; R754-D765 IonicContact NE-OD1 2.64Å; R754-D765 PolarHBondContact NE-OD1 2.9Å; R754-D765 IonicContact NE-OD2 3.2Å; R754-D765 PolarHBondContact NE-OD2 3.16Å; R754-D765 IonicContact NH2-OD1 3.8Å; R754-D765 PolarHBondContact NH2-OD1 2.79Å; R754-D765 IonicContact NH2-OD2 2.8Å; V760-D765 HydrophobicContact CG1-CB 4.24Å; N762-D765 HydrophobicContact CB-CB 4.3Å; N762-D765 PolarHBondContact O-N 3.48Å; N762-D765 VanDerWaalsContact O-N 3.11Å; D765-A768 PolarHBondContact O-N 3Å; D765-A769 PolarHBondContact O-N 3.44Å
766W91.6Very high88.2Confident15 Ų1549.6 Ų49.66%0.05726%0.257CS..Hα-helixtrans-62.1-47.5174.9-171.39.4000110.7P682 Y683 T686 L755 K756 V760 N762 Q763 A768 A769 L770P682-W766 HydrophobicContact CB-CH2 4.45Å; P682-W766 HydrophobicContact CB-CZ2 4.23Å; Y683-W766 VanDerWaalsContact CA-CH2 3.42Å; Y683-W766 AromaticContact CD2-CD2 3.68Å; Y683-W766 HydrophobicContact CD2-CD2 3.68Å; Y683-W766 AromaticContact CD2-CE3 3.81Å; Y683-W766 HydrophobicContact CD2-CE3 3.81Å; Y683-W766 HydrophobicContact CD2-CG 4.05Å; Y683-W766 HydrophobicContact CD2-CZ2 4.46Å; Y683-W766 HydrophobicContact CD2-CZ3 4.27Å; T686-W766 HydrophobicContact CG2-CZ3 4.15Å; L755-W766 PolarHBondContact O-NE1 3.34Å; K756-W766 WeakPolarHBondContact O-CZ2 3.26Å; V760-W766 HydrophobicContact CB-CB 4.31Å; V760-W766 HydrophobicContact CG1-CB 3.95Å; V760-W766 HydrophobicContact CG2-CB 4.44Å; N762-W766 PolarHBondContact O-N 3.19Å; Q763-W766 PolarHBondContact O-N 3.04Å; W766-A768 VanDerWaalsContact C-N 3.34Å; W766-A768 PolarHBondContact O-N 3.26Å; W766-A769 WeakPolarHBondContact O-CB 3.46Å; W766-A769 PolarHBondContact O-N 3.31Å; W766-L770 WeakPolarHBondContact O-CG 3.21Å; W766-L770 PolarHBondContact O-N 3.08Å; W766-L770 VanDerWaalsContact O-N 3.08Å
767K93.3Very high88.5Confident82 Ų8246.1 Ų46.136%0.35724%0.242SC..Hα-helixtrans-60.3-42.4176.5-172.3-179177.7-177.20111.7Y683 F691 Q763 D764 A769 L770 H771Y683-K767 HydrophobicContact CE2-CB 4.03Å; F691-K767 HydrophobicContact CD2-CG 4.4Å; F691-K767 HydrophobicContact CE2-CG 4.11Å; Q763-K767 PolarHBondContact O-N 3.34Å; D764-K767 PolarHBondContact O-N 2.82Å; K767-A769 PolarHBondContact O-N 3.02Å; K767-L770 PolarHBondContact O-N 3.43Å; K767-H771 WeakPolarHBondContact O-CB 3.4Å; K767-H771 PolarHBondContact O-N 3.49Å
768A93.9Very high89.1Confident13 Ų1346.1 Ų46.111%0.10724%0.236CC..Hα-helixtrans-63.2-39.2177.600000112.5D764 D765 W766 H771 T772D764-A768 WeakPolarHBondContact O-CB 3.49Å; D764-A768 PolarHBondContact O-N 3.38Å; D765-A768 PolarHBondContact O-N 3Å; W766-A768 VanDerWaalsContact C-N 3.34Å; W766-A768 PolarHBondContact O-N 3.26Å; A768-H771 PolarHBondContact O-N 3.48Å; A768-T772 WeakPolarHBondContact O-CB 3.16Å; A768-T772 PolarHBondContact O-N 3.03Å; A768-T772 PolarHBondContact O-OG1 2.87Å
769A94.8Very high90Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-63.5-43.7174.800000112.1R754 L755 D765 W766 K767 T772 L773R754-A769 HydrophobicContact CG-CB 4.14Å; L755-A769 HydrophobicContact CD2-CB 3.94Å; L755-A769 WeakPolarHBondContact CD2-O 3.47Å; D765-A769 PolarHBondContact O-N 3.44Å; W766-A769 WeakPolarHBondContact O-CB 3.46Å; W766-A769 PolarHBondContact O-N 3.31Å; K767-A769 PolarHBondContact O-N 3.02Å; A769-T772 PolarHBondContact O-N 2.91Å; A769-L773 PolarHBondContact O-N 3.05Å
770L95.8Very high91.3Very high0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-64.6-44.2176.1-64.5178.6000111.8Y683 F691 L755 W766 K767 T772 L773 L774Y683-L770 HydrophobicContact CD1-CD1 4.38Å; Y683-L770 HydrophobicContact CD2-CD1 3.73Å; Y683-L770 HydrophobicContact CG-CD1 3.64Å; F691-L770 HydrophobicContact CD2-CB 4.29Å; F691-L770 HydrophobicContact CD2-CD1 4.09Å; F691-L770 HydrophobicContact CE1-CB 4.35Å; F691-L770 HydrophobicContact CE2-CB 3.5Å; F691-L770 HydrophobicContact CE2-CD1 4.12Å; F691-L770 HydrophobicContact CE2-CG 4.47Å; F691-L770 HydrophobicContact CZ-CB 3.55Å; L755-L770 HydrophobicContact CD2-CD2 4.35Å; W766-L770 WeakPolarHBondContact O-CG 3.21Å; W766-L770 PolarHBondContact O-N 3.08Å; W766-L770 VanDerWaalsContact O-N 3.08Å; K767-L770 PolarHBondContact O-N 3.43Å; L770-T772 VanDerWaalsContact C-N 3.32Å; L770-T772 PolarHBondContact O-N 3.32Å; L770-L773 PolarHBondContact O-N 3.47Å; L770-L774 WeakPolarHBondContact O-CB 3.42Å; L770-L774 PolarHBondContact O-N 3.43Å
771H96.5Very high92.8Very high15 Ų1534.9 Ų34.97%0.06917%0.171CC..Hα-helixtrans-61.3-42.4176.9-174.6-177000110.9F691 V693 E697 P699 K767 A768 L774 K775F691-H771 HydrophobicContact CZ-CB 4.46Å; V693-H771 HydrophobicContact CG1-CB 4.18Å; E697-H771 PolarHBondContact O-NE2 2.85Å; P699-H771 WeakPolarHBondContact CA-ND1 3.25Å; P699-H771 HydrophobicContact CB-CB 4.04Å; K767-H771 WeakPolarHBondContact O-CB 3.4Å; K767-H771 PolarHBondContact O-N 3.49Å; A768-H771 PolarHBondContact O-N 3.48Å; H771-L774 PolarHBondContact O-N 3.48Å; H771-K775 VanDerWaalsContact O-CB 3.25Å; H771-K775 WeakPolarHBondContact O-CB 3.36Å; H771-K775 PolarHBondContact O-N 3.5Å
772T97Very high94.2Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-59-51.2174.7-56.70000111.8P699 D706 I709 L710 Y747 A768 A769 L770 L774 K775 V776P699-T772 WeakPolarHBondContact CB-OG1 3.49Å; P699-T772 VanDerWaalsContact CG-OG1 3.28Å; P699-T772 WeakPolarHBondContact CG-OG1 3.45Å; D706-T772 HydrophobicContact CB-CG2 3.89Å; I709-T772 HydrophobicContact CG2-CG2 3.79Å; L710-T772 HydrophobicContact CD1-CG2 4.13Å; L710-T772 HydrophobicContact CD2-CG2 4.17Å; L710-T772 HydrophobicContact CG-CG2 3.95Å; Y747-T772 HydrophobicContact CE2-CG2 4.48Å; Y747-T772 WeakPolarHBondContact OH-CB 3.37Å; Y747-T772 VanDerWaalsContact OH-CG2 3.27Å; Y747-T772 WeakPolarHBondContact OH-CG2 3.43Å; A768-T772 WeakPolarHBondContact O-CB 3.16Å; A768-T772 PolarHBondContact O-N 3.03Å; A768-T772 PolarHBondContact O-OG1 2.87Å; A769-T772 PolarHBondContact O-N 2.91Å; L770-T772 VanDerWaalsContact C-N 3.32Å; L770-T772 PolarHBondContact O-N 3.32Å; T772-L774 PolarHBondContact O-N 3.37Å; T772-K775 PolarHBondContact O-N 3.21Å; T772-V776 WeakPolarHBondContact O-CG2 3.38Å; T772-V776 PolarHBondContact O-N 3.28Å
773L97Very high94.9Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-63.5-43.5-179.5-179.356.6000112.1F674 L675 L743 Y747 V748 L755 A769 L770 V776 I777F674-L773 HydrophobicContact CD1-CD2 4.36Å; L675-L773 HydrophobicContact CB-CD2 3.95Å; L675-L773 HydrophobicContact CB-CG 4.37Å; L675-L773 HydrophobicContact CD1-CB 4.2Å; L675-L773 HydrophobicContact CD1-CD2 3.86Å; L675-L773 HydrophobicContact CD1-CG 3.97Å; L675-L773 HydrophobicContact CG-CD2 4.44Å; L743-L773 HydrophobicContact CD1-CD1 3.88Å; Y747-L773 HydrophobicContact CD1-CD1 4.22Å; Y747-L773 HydrophobicContact CE1-CB 4.13Å; Y747-L773 HydrophobicContact CE1-CD1 3.98Å; V748-L773 HydrophobicContact CG2-CD1 3.91Å; V748-L773 HydrophobicContact CG2-CD2 4.36Å; L755-L773 HydrophobicContact CD1-CD2 4.09Å; L755-L773 HydrophobicContact CD2-CB 4.17Å; L755-L773 HydrophobicContact CD2-CD2 4.07Å; A769-L773 PolarHBondContact O-N 3.05Å; L770-L773 PolarHBondContact O-N 3.47Å; L773-V776 PolarHBondContact O-N 3.09Å; L773-I777 HydrophobicContact CD1-CD1 3.84Å; L773-I777 HydrophobicContact CD1-CG1 4.16Å; L773-I777 HydrophobicContact CG-CD1 4.05Å; L773-I777 WeakPolarHBondContact O-CB 3.33Å; L773-I777 WeakPolarHBondContact O-CG1 3.37Å; L773-I777 PolarHBondContact O-N 3.05Å
774L97.4Very high95.4Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-61.8-43.7176175.260.6000111.3L675 F691 V693 L770 H771 T772 I777 Y778 I799 L803L675-L774 HydrophobicContact CD2-CB 4.1Å; L675-L774 HydrophobicContact CD2-CD1 4.01Å; F691-L774 HydrophobicContact CE1-CD2 3.7Å; F691-L774 HydrophobicContact CZ-CD2 4.38Å; V693-L774 HydrophobicContact CG2-CD2 3.63Å; L770-L774 WeakPolarHBondContact O-CB 3.42Å; L770-L774 PolarHBondContact O-N 3.43Å; H771-L774 PolarHBondContact O-N 3.48Å; T772-L774 PolarHBondContact O-N 3.37Å; L774-I777 PolarHBondContact O-N 3.09Å; L774-Y778 VanDerWaalsContact O-CB 3.25Å; L774-Y778 WeakPolarHBondContact O-CB 3.45Å; L774-Y778 PolarHBondContact O-N 3.41Å; L774-I799 HydrophobicContact CD1-CB 3.94Å; L774-I799 HydrophobicContact CD1-CD1 4.42Å; L774-I799 HydrophobicContact CD1-CG2 4.26Å; L774-L803 HydrophobicContact CD1-CD2 4.46Å; L774-L803 HydrophobicContact CD2-CD2 3.94Å; L774-L803 HydrophobicContact CG-CD2 4.15Å
775K96.7Very high95.8Very high11 Ų1110.8 Ų10.85%0.0485%0.052CC..Hα-helixtrans-62.1-45.6179.6-173.465.2173-156.20111.7S695 D696 E697 F698 H771 T772 Y778 Q779S695-K775 PolarHBondContact O-NZ 2.83Å; D696-K775 VanDerWaalsContact C-NZ 3.29Å; D696-K775 PolarHBondContact O-NZ 3.45Å; D696-K775 VanDerWaalsContact O-NZ 3.07Å; E697-K775 WeakPolarHBondContact O-CE 3.4Å; E697-K775 PolarHBondContact O-NZ 2.89Å; F698-K775 HydrophobicContact CD1-CG 4.44Å; F698-K775 HydrophobicContact CE1-CG 4.47Å; F698-K775 VanDerWaalsContact CE2-CE 3.42Å; H771-K775 VanDerWaalsContact O-CB 3.25Å; H771-K775 WeakPolarHBondContact O-CB 3.36Å; H771-K775 PolarHBondContact O-N 3.5Å; T772-K775 PolarHBondContact O-N 3.21Å; K775-Y778 PolarHBondContact O-N 3.24Å; K775-Q779 HydrophobicContact CD-CG 4.44Å; K775-Q779 WeakPolarHBondContact O-CB 3.45Å; K775-Q779 WeakPolarHBondContact O-CG 3.44Å; K775-Q779 PolarHBondContact O-N 3.39Å
776V96.8Very high96.2Very high0 Ų08.3 Ų8.30%04%0.039CC..Hα-helixtrans-63.9-47.6178.2172.20000111I709 L710 F739 L743 T772 L773 Y778 Q779 I780I709-V776 HydrophobicContact CG1-CG1 4.08Å; I709-V776 HydrophobicContact CG1-CG2 4Å; I709-V776 HydrophobicContact CG2-CG2 4.01Å; L710-V776 HydrophobicContact CD2-CG2 4.17Å; F739-V776 HydrophobicContact CE1-CG1 3.95Å; F739-V776 HydrophobicContact CZ-CG1 3.74Å; L743-V776 HydrophobicContact CD1-CG1 3.87Å; T772-V776 WeakPolarHBondContact O-CG2 3.38Å; T772-V776 PolarHBondContact O-N 3.28Å; L773-V776 PolarHBondContact O-N 3.09Å; V776-Y778 VanDerWaalsContact C-N 3.33Å; V776-Y778 PolarHBondContact O-N 3.04Å; V776-Q779 PolarHBondContact O-N 3.33Å; V776-I780 HydrophobicContact CG1-CG1 4.44Å; V776-I780 WeakPolarHBondContact O-CB 3.46Å; V776-I780 VanDerWaalsContact O-CG1 3.3Å; V776-I780 WeakPolarHBondContact O-CG1 3.32Å; V776-I780 PolarHBondContact O-N 3.34Å
777I96.8Very high96.5Very high0 Ų07.6 Ų7.60%04%0.036CC..Hα-helixtrans-58.9-47.6176.8-73.7174.8000110.1L675 L743 L773 L774 I780 T781 I795 I799L675-I777 HydrophobicContact CB-CD1 4.25Å; L675-I777 HydrophobicContact CD2-CD1 3.87Å; L743-I777 HydrophobicContact CD2-CG1 4.14Å; L773-I777 HydrophobicContact CD1-CD1 3.84Å; L773-I777 HydrophobicContact CD1-CG1 4.16Å; L773-I777 HydrophobicContact CG-CD1 4.05Å; L773-I777 WeakPolarHBondContact O-CB 3.33Å; L773-I777 WeakPolarHBondContact O-CG1 3.37Å; L773-I777 PolarHBondContact O-N 3.05Å; L774-I777 PolarHBondContact O-N 3.09Å; I777-I780 PolarHBondContact O-N 3.47Å; I777-T781 VanDerWaalsContact O-CB 3.3Å; I777-T781 WeakPolarHBondContact O-CB 3.23Å; I777-T781 PolarHBondContact O-N 3.41Å; I777-T781 PolarHBondContact O-OG1 3.3Å; I777-I795 HydrophobicContact CG2-CG2 3.93Å; I777-I799 HydrophobicContact CG2-CD1 4.24Å
778Y97.1Very high96.7Very high22 Ų223.7 Ų3.79%0.0862%0.019CC..Hα-helixtrans-59.9-48.5179.3175-120000112.8L774 K775 V776 I780 T781 C782 Y796 I799 L803 Y805 I832L774-Y778 VanDerWaalsContact O-CB 3.25Å; L774-Y778 WeakPolarHBondContact O-CB 3.45Å; L774-Y778 PolarHBondContact O-N 3.41Å; K775-Y778 PolarHBondContact O-N 3.24Å; V776-Y778 VanDerWaalsContact C-N 3.33Å; V776-Y778 PolarHBondContact O-N 3.04Å; Y778-I780 PolarHBondContact O-N 3.17Å; Y778-T781 PolarHBondContact O-N 3.43Å; Y778-C782 VanDerWaalsContact CE2-SG 3.56Å; Y778-C782 PolarHBondContact O-N 3Å; Y778-C782 PolarHBondContact O-SG 3.45Å; Y778-Y796 HydrophobicContact CE2-CD2 4.42Å; Y778-Y796 HydrophobicContact CE2-CE2 4.36Å; Y778-I799 HydrophobicContact CD2-CD1 4.11Å; Y778-L803 HydrophobicContact CD1-CD1 4.42Å; Y778-L803 HydrophobicContact CD2-CD1 3.56Å; Y778-L803 HydrophobicContact CE2-CD1 3.74Å; Y778-L803 HydrophobicContact CG-CD1 3.92Å; Y778-Y805 WeakPolarHBondContact CE2-OH 3.48Å; Y778-Y805 PolarHBondContact OH-OH 2.94Å; Y778-I832 HydrophobicContact CE2-CD1 4.22Å
779Q96.6Very high96.9Very high8 Ų83.1 Ų3.14%0.0371%0.014CC..Hα-helixtrans-62.9-42.4-179.9-76.2-176.1-5300112.3F698 T713 Q714 I717 K775 V776 C782 L783F698-Q779 VanDerWaalsContact CZ-NE2 3.34Å; T713-Q779 HydrophobicContact CG2-CB 4.08Å; Q714-Q779 VanDerWaalsContact NE2-NE2 3.17Å; I717-Q779 HydrophobicContact CD1-CB 4.38Å; K775-Q779 HydrophobicContact CD-CG 4.44Å; K775-Q779 WeakPolarHBondContact O-CB 3.45Å; K775-Q779 WeakPolarHBondContact O-CG 3.44Å; K775-Q779 PolarHBondContact O-N 3.39Å; V776-Q779 PolarHBondContact O-N 3.33Å; Q779-C782 PolarHBondContact O-N 3.48Å; Q779-L783 WeakPolarHBondContact O-CB 3.27Å; Q779-L783 PolarHBondContact O-N 3.33Å
780I96.1Very high97Very high1 Ų13.2 Ų3.21%0.0051%0.014CC..Hα-helixtrans-68.9-38.1177.4-66.1-67.9000111.5W668 T713 L716 F739 I740 V776 I777 Y778 C782 L783 M784W668-I780 HydrophobicContact CZ2-CG2 4.08Å; T713-I780 HydrophobicContact CG2-CD1 4.27Å; T713-I780 HydrophobicContact CG2-CG1 4.42Å; L716-I780 HydrophobicContact CD2-CD1 3.7Å; F739-I780 HydrophobicContact CD1-CD1 3.56Å; F739-I780 HydrophobicContact CD1-CG1 3.82Å; F739-I780 HydrophobicContact CD1-CG2 4.49Å; F739-I780 HydrophobicContact CD2-CD1 4.38Å; F739-I780 HydrophobicContact CE1-CD1 3.49Å; F739-I780 VanDerWaalsContact CE1-CD1 3.49Å; F739-I780 HydrophobicContact CE1-CG1 3.37Å; F739-I780 HydrophobicContact CE2-CD1 4.25Å; F739-I780 HydrophobicContact CG-CD1 4.05Å; F739-I780 HydrophobicContact CZ-CD1 3.84Å; F739-I780 HydrophobicContact CZ-CG1 3.92Å; I740-I780 HydrophobicContact CD1-CG2 3.97Å; V776-I780 HydrophobicContact CG1-CG1 4.44Å; V776-I780 WeakPolarHBondContact O-CB 3.46Å; V776-I780 VanDerWaalsContact O-CG1 3.3Å; V776-I780 WeakPolarHBondContact O-CG1 3.32Å; V776-I780 PolarHBondContact O-N 3.34Å; I777-I780 PolarHBondContact O-N 3.47Å; Y778-I780 PolarHBondContact O-N 3.17Å; I780-C782 VanDerWaalsContact C-N 3.31Å; I780-C782 PolarHBondContact O-N 3.38Å; I780-L783 PolarHBondContact O-N 3.3Å; I780-M784 HydrophobicContact CG2-CG 3.97Å; I780-M784 VanDerWaalsContact O-CB 3.22Å; I780-M784 WeakPolarHBondContact O-CB 3.34Å; I780-M784 WeakPolarHBondContact O-CG 3.37Å; I780-M784 PolarHBondContact O-N 2.93Å
781T97.1Very high97.1Very high0 Ų03.4 Ų3.40%02%0.016CC..Hα-helixtrans-59.6-41.9173-67.20000111.4I777 Y778 S785 T792 I795 I829I777-T781 VanDerWaalsContact O-CB 3.3Å; I777-T781 WeakPolarHBondContact O-CB 3.23Å; I777-T781 PolarHBondContact O-N 3.41Å; I777-T781 PolarHBondContact O-OG1 3.3Å; Y778-T781 PolarHBondContact O-N 3.43Å; T781-S785 PolarHBondContact O-N 2.97Å; T781-T792 HydrophobicContact CG2-CG2 4.24Å; T781-T792 WeakPolarHBondContact CG2-O 3.34Å; T781-T792 WeakPolarHBondContact O-CG2 3.43Å; T781-I795 HydrophobicContact CG2-CB 4.29Å; T781-I795 HydrophobicContact CG2-CG2 4.23Å; T781-I795 WeakPolarHBondContact OG1-CG2 3.42Å; T781-I829 HydrophobicContact CG2-CD1 4.15Å; T781-I829 HydrophobicContact CG2-CG1 4.18Å
782C97.1Very high97.1Very high3 Ų32.7 Ų2.72%0.021%0.012CC..Hα-helixtrans-65.5-41.8174.5-62.20000112.2Q85 Y778 Q779 I780 S785 P835Q85-C782 PolarHBondContact NE2-O 3.24Å; Y778-C782 VanDerWaalsContact CE2-SG 3.56Å; Y778-C782 PolarHBondContact O-N 3Å; Y778-C782 PolarHBondContact O-SG 3.45Å; Q779-C782 PolarHBondContact O-N 3.48Å; I780-C782 VanDerWaalsContact C-N 3.31Å; I780-C782 PolarHBondContact O-N 3.38Å; C782-S785 PolarHBondContact O-OG 3.28Å; C782-S785 VanDerWaalsContact O-OG 3.1Å; C782-P835 HydrophobicContact CB-CG 4.45Å
783L96.5Very high97.2Very high4 Ų42.7 Ų2.72%0.0211%0.012CC..Hα-helixtrans-70.3-35.6-178.7-16966.7000112.8L716 I717 V720 L736 Q779 I780 P786L716-L783 HydrophobicContact CD2-CD2 4.4Å; L716-L783 HydrophobicContact CG-CD2 4.16Å; I717-L783 HydrophobicContact CG1-CD2 4.01Å; V720-L783 HydrophobicContact CB-CD1 4.08Å; V720-L783 HydrophobicContact CB-CD2 4.32Å; V720-L783 HydrophobicContact CG1-CD1 3.76Å; V720-L783 HydrophobicContact CG1-CG 4.26Å; V720-L783 HydrophobicContact CG2-CD2 4.03Å; L736-L783 HydrophobicContact CD2-CD2 3.9Å; L736-L783 HydrophobicContact CD2-CG 4.33Å; Q779-L783 WeakPolarHBondContact O-CB 3.27Å; Q779-L783 PolarHBondContact O-N 3.33Å; I780-L783 PolarHBondContact O-N 3.3Å; L783-P786 WeakPolarHBondContact O-CD 3.41Å
784M96.8Very high97.1Very high1 Ų13 Ų31%0.0051%0.013CC..Hα-helixtrans-81.6-14.3-179.3-77.2-72.7-69.400113.5W668 L736 I780 P786 F787 T788 T792W668-M784 HydrophobicContact CH2-CB 3.76Å; W668-M784 HydrophobicContact CH2-CG 3.97Å; W668-M784 HydrophobicContact CZ3-CB 4.41Å; W668-M784 HydrophobicContact CZ3-CE 4.23Å; W668-M784 HydrophobicContact CZ3-CG 4.5Å; L736-M784 HydrophobicContact CB-SD 3.76Å; L736-M784 HydrophobicContact CD1-SD 3.68Å; L736-M784 HydrophobicContact CD2-CG 4.48Å; L736-M784 HydrophobicContact CD2-SD 3.91Å; L736-M784 HydrophobicContact CG-SD 3.99Å; I780-M784 HydrophobicContact CG2-CG 3.97Å; I780-M784 VanDerWaalsContact O-CB 3.22Å; I780-M784 WeakPolarHBondContact O-CB 3.34Å; I780-M784 WeakPolarHBondContact O-CG 3.37Å; I780-M784 PolarHBondContact O-N 2.93Å; M784-P786 VanDerWaalsContact C-CD 3.43Å; M784-P786 VanDerWaalsContact C-N 3.34Å; M784-F787 WeakPolarHBondContact O-CA 3.45Å; M784-F787 WeakPolarHBondContact O-CB 3.35Å; M784-F787 PolarHBondContact O-N 3.22Å; M784-T788 HydrophobicContact CE-CG2 3.92Å; M784-T788 PolarHBondContact O-N 3.14Å; M784-T788 PolarHBondContact O-OG1 3.47Å; M784-T792 HydrophobicContact CB-CG2 3.73Å
785S97.4Very high97.1Very high0 Ų03 Ų30%01%0.013CC..THydrogen-bonded Turntrans-62.5-27.1-171.571.10000115.6Q85 T781 C782 F787 P789 T792Q85-S785 PolarHBondContact NE2-OG 3.28Å; T781-S785 PolarHBondContact O-N 2.97Å; C782-S785 PolarHBondContact O-OG 3.28Å; C782-S785 VanDerWaalsContact O-OG 3.1Å; S785-F787 VanDerWaalsContact C-N 3.31Å; S785-F787 PolarHBondContact O-N 2.99Å; S785-P789 VanDerWaalsContact O-CA 3.26Å; S785-P789 WeakPolarHBondContact O-CA 3.39Å; S785-P789 WeakPolarHBondContact O-CB 3.29Å; S785-T792 WeakPolarHBondContact CA-OG1 3.5Å; S785-T792 WeakPolarHBondContact CB-OG1 3.4Å
786P97.6Very high97.1Very high0 Ų02.4 Ų2.40%01%0.011CC..THydrogen-bonded Turntrans-65.6-32.6168.5-25.738.1000113.8I78 R81 R636 L783 M784I78-P786 VanDerWaalsContact CG1-O 3.25Å; I78-P786 WeakPolarHBondContact CG1-O 3.38Å; I78-P786 HydrophobicContact CG2-CB 4.15Å; R81-P786 HydrophobicContact CB-CB 3.95Å; R81-P786 HydrophobicContact CB-CG 4.31Å; R636-P786 PolarHBondContact NH2-O 3.11Å; L783-P786 WeakPolarHBondContact O-CD 3.41Å; M784-P786 VanDerWaalsContact C-CD 3.43Å; M784-P786 VanDerWaalsContact C-N 3.34Å
787F97.3Very high97Very high0 Ų04.7 Ų4.70%02%0.021CC..THydrogen-bonded Turntrans-85.5-49.9-171.8-57.8-94.9000111.6I78 R636 I640 L724 L729 V732 V733 L736 M784 S785 P789I78-F787 HydrophobicContact CD1-CD1 4.04Å; I78-F787 HydrophobicContact CG1-CD1 4.38Å; I78-F787 HydrophobicContact CG2-CD1 4.12Å; I78-F787 HydrophobicContact CG2-CE1 3.93Å; I78-F787 HydrophobicContact CG2-CZ 4.2Å; R636-F787 PolarHBondContact NE-O 3.18Å; I640-F787 HydrophobicContact CD1-CB 4.46Å; I640-F787 HydrophobicContact CD1-CD1 3.74Å; L724-F787 HydrophobicContact CD1-CE2 4.43Å; L724-F787 HydrophobicContact CD1-CZ 4.02Å; L724-F787 HydrophobicContact CD2-CZ 4.36Å; L729-F787 HydrophobicContact CD1-CD1 4.43Å; L729-F787 HydrophobicContact CD1-CE1 3.56Å; L729-F787 HydrophobicContact CD1-CZ 4.29Å; V732-F787 HydrophobicContact CG1-CE1 3.97Å; V732-F787 HydrophobicContact CG1-CZ 3.6Å; V733-F787 HydrophobicContact CG2-CD1 4.25Å; V733-F787 HydrophobicContact CG2-CE1 4.13Å; L736-F787 HydrophobicContact CD1-CD1 4.38Å; L736-F787 HydrophobicContact CD1-CD2 4.05Å; L736-F787 HydrophobicContact CD1-CE1 4.13Å; L736-F787 HydrophobicContact CD1-CE2 3.81Å; L736-F787 HydrophobicContact CD1-CG 4.33Å; L736-F787 HydrophobicContact CD1-CZ 3.86Å; M784-F787 WeakPolarHBondContact O-CA 3.45Å; M784-F787 WeakPolarHBondContact O-CB 3.35Å; M784-F787 PolarHBondContact O-N 3.22Å; S785-F787 VanDerWaalsContact C-N 3.31Å; S785-F787 PolarHBondContact O-N 2.99Å; F787-P789 WeakPolarHBondContact O-CD 3.49Å
788T97.5Very high96.9Very high0 Ų06.7 Ų6.70%03%0.031CC..SBendtrans-125.372.2-176.158.50000109.1D633 L637 F665 M784 F790 I791 T792D633-T788 HydrophobicContact CB-CG2 4.18Å; D633-T788 VanDerWaalsContact CG-CA 3.43Å; D633-T788 WeakPolarHBondContact OD1-CA 3.43Å; D633-T788 WeakPolarHBondContact OD2-CA 3.5Å; D633-T788 WeakPolarHBondContact OD2-CB 3.48Å; L637-T788 HydrophobicContact CB-CG2 4.46Å; L637-T788 HydrophobicContact CD2-CG2 4.45Å; F665-T788 HydrophobicContact CE1-CG2 4.03Å; F665-T788 HydrophobicContact CZ-CG2 3.62Å; M784-T788 HydrophobicContact CE-CG2 3.92Å; M784-T788 PolarHBondContact O-N 3.14Å; M784-T788 PolarHBondContact O-OG1 3.47Å; T788-F790 VanDerWaalsContact C-N 3.25Å; T788-F790 PolarHBondContact O-N 3.42Å; T788-I791 WeakPolarHBondContact OG1-CG2 3.42Å; T788-T792 WeakPolarHBondContact O-CB 3.34Å; T788-T792 VanDerWaalsContact O-CG2 3.25Å; T788-T792 WeakPolarHBondContact O-CG2 3.44Å; T788-T792 PolarHBondContact O-N 2.8Å; T788-T792 PolarHBondContact O-OG1 2.71Å
789P98.3Very high96.9Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-65.7-23.9-16927.8-39.3000114W33 D633 S785 F787 T792 E793 H830W33-P789 HydrophobicContact CH2-CB 3.81Å; W33-P789 HydrophobicContact CH2-CG 4.36Å; W33-P789 HydrophobicContact CZ2-CB 4.37Å; W33-P789 WeakPolarHBondContact CZ2-O 3.42Å; D633-P789 WeakPolarHBondContact OD1-CD 3.39Å; S785-P789 VanDerWaalsContact O-CA 3.26Å; S785-P789 WeakPolarHBondContact O-CA 3.39Å; S785-P789 WeakPolarHBondContact O-CB 3.29Å; F787-P789 WeakPolarHBondContact O-CD 3.49Å; P789-T792 WeakPolarHBondContact CA-OG1 3.47Å; P789-T792 PolarHBondContact O-OG1 3.05Å; P789-E793 PolarHBondContact O-N 3.26Å; P789-H830 PolarHBondContact O-NE2 2.88Å; P789-H830 VanDerWaalsContact O-NE2 3.13Å
790F98.3Very high96.8Very high2 Ų27.7 Ų7.71%0.0094%0.036CC..Hα-helixtrans-83-51.8-178-63.4-69.7000112.7E26 I29 L30 W33 A632 D633 T788 T792 E793 F794E26-F790 HydrophobicContact CB-CB 4.21Å; E26-F790 HydrophobicContact CB-CD1 4.18Å; E26-F790 HydrophobicContact CB-CD2 4.32Å; E26-F790 HydrophobicContact CB-CG 3.99Å; E26-F790 HydrophobicContact CG-CB 3.6Å; E26-F790 HydrophobicContact CG-CD1 4.42Å; E26-F790 HydrophobicContact CG-CD2 3.95Å; E26-F790 HydrophobicContact CG-CG 3.75Å; I29-F790 HydrophobicContact CB-CD1 4.04Å; I29-F790 HydrophobicContact CG2-CD1 3.74Å; I29-F790 HydrophobicContact CG2-CE1 4.44Å; L30-F790 HydrophobicContact CD1-CE1 4.28Å; L30-F790 HydrophobicContact CD1-CZ 4.3Å; L30-F790 HydrophobicContact CD2-CE1 3.52Å; L30-F790 HydrophobicContact CD2-CZ 3.76Å; L30-F790 HydrophobicContact CG-CE1 3.53Å; L30-F790 HydrophobicContact CG-CZ 3.96Å; W33-F790 HydrophobicContact CE3-CE1 4Å; W33-F790 AromaticContact CH2-CD1 3.45Å; W33-F790 HydrophobicContact CH2-CD1 3.45Å; W33-F790 VanDerWaalsContact CH2-CD1 3.45Å; W33-F790 AromaticContact CH2-CE1 3.49Å; W33-F790 HydrophobicContact CH2-CE1 3.49Å; W33-F790 VanDerWaalsContact CH2-CE1 3.49Å; W33-F790 HydrophobicContact CH2-CG 4.13Å; W33-F790 HydrophobicContact CH2-CZ 4.23Å; W33-F790 HydrophobicContact CZ2-CD1 4.22Å; W33-F790 AromaticContact CZ3-CD1 3.7Å; W33-F790 HydrophobicContact CZ3-CD1 3.7Å; W33-F790 AromaticContact CZ3-CE1 3.19Å; W33-F790 HydrophobicContact CZ3-CE1 3.19Å; W33-F790 AromaticContact CZ3-CZ 3.83Å; W33-F790 HydrophobicContact CZ3-CZ 3.83Å; A632-F790 HydrophobicContact CB-CD2 4.1Å; A632-F790 HydrophobicContact CB-CE2 3.7Å; D633-F790 WeakPolarHBondContact OD1-CD2 3.42Å; D633-F790 WeakPolarHBondContact OD2-CA 3.44Å; D633-F790 WeakPolarHBondContact OD2-CB 3.4Å; D633-F790 PolarHBondContact OD2-N 3.11Å; T788-F790 VanDerWaalsContact C-N 3.25Å; T788-F790 PolarHBondContact O-N 3.42Å; F790-T792 PolarHBondContact O-N 2.85Å; F790-E793 WeakPolarHBondContact O-CB 3.34Å; F790-E793 PolarHBondContact O-N 3.07Å; F790-E793 VanDerWaalsContact O-N 3.17Å; F790-F794 PolarHBondContact O-N 2.66Å
791I96.4Very high96.7Very high5 Ų59.8 Ų9.83%0.0266%0.057CC..Hα-helixtrans-64.4-33.2-177.9-15970000110.8D633 F665 W668 T788 F794 I795D633-I791 PolarHBondContact OD2-N 3.27Å; F665-I791 HydrophobicContact CD1-CB 4Å; F665-I791 HydrophobicContact CD1-CD1 4.32Å; F665-I791 HydrophobicContact CD1-CG1 3.89Å; F665-I791 HydrophobicContact CD1-CG2 4.02Å; F665-I791 HydrophobicContact CE1-CB 3.91Å; F665-I791 HydrophobicContact CE1-CG1 4.32Å; F665-I791 HydrophobicContact CE1-CG2 3.64Å; W668-I791 HydrophobicContact CE3-CG2 3.99Å; W668-I791 HydrophobicContact CH2-CG2 4.24Å; W668-I791 HydrophobicContact CZ3-CG2 3.45Å; W668-I791 VanDerWaalsContact CZ3-CG2 3.45Å; T788-I791 WeakPolarHBondContact OG1-CG2 3.42Å; I791-F794 HydrophobicContact CD1-CD1 4.07Å; I791-F794 PolarHBondContact O-N 2.97Å; I791-I795 HydrophobicContact CG1-CD1 4.16Å; I791-I795 WeakPolarHBondContact O-CB 3.48Å; I791-I795 WeakPolarHBondContact O-CD1 3.46Å; I791-I795 WeakPolarHBondContact O-CG1 3.42Å; I791-I795 PolarHBondContact O-N 3.27Å
792T97.7Very high96.6Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-69.6-38.417850.50000111.4W668 T781 M784 S785 T788 P789 F790 Y796W668-T792 HydrophobicContact CH2-CG2 3.6Å; W668-T792 HydrophobicContact CZ3-CG2 4.24Å; T781-T792 HydrophobicContact CG2-CG2 4.24Å; T781-T792 WeakPolarHBondContact CG2-O 3.34Å; T781-T792 WeakPolarHBondContact O-CG2 3.43Å; M784-T792 HydrophobicContact CB-CG2 3.73Å; S785-T792 WeakPolarHBondContact CA-OG1 3.5Å; S785-T792 WeakPolarHBondContact CB-OG1 3.4Å; T788-T792 WeakPolarHBondContact O-CB 3.34Å; T788-T792 VanDerWaalsContact O-CG2 3.25Å; T788-T792 WeakPolarHBondContact O-CG2 3.44Å; T788-T792 PolarHBondContact O-N 2.8Å; T788-T792 PolarHBondContact O-OG1 2.71Å; P789-T792 WeakPolarHBondContact CA-OG1 3.47Å; P789-T792 PolarHBondContact O-OG1 3.05Å; F790-T792 PolarHBondContact O-N 2.85Å; T792-Y796 VanDerWaalsContact O-CB 3.24Å; T792-Y796 WeakPolarHBondContact O-CB 3.45Å; T792-Y796 PolarHBondContact O-N 3Å
793E97.9Very high96.6Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-62.1-50169.9-170.972.2-103.600110.5I29 F32 W33 P789 F790 I795 Y796 Q797 S828 I829 H830I29-E793 HydrophobicContact CD1-CB 4.2Å; I29-E793 HydrophobicContact CD1-CG 3.76Å; I29-E793 HydrophobicContact CG1-CB 4.43Å; I29-E793 HydrophobicContact CG1-CG 4.41Å; I29-E793 HydrophobicContact CG2-CB 3.88Å; I29-E793 HydrophobicContact CG2-CG 3.78Å; F32-E793 HydrophobicContact CD1-CG 4.42Å; F32-E793 HydrophobicContact CE1-CG 4.44Å; W33-E793 HydrophobicContact CZ2-CB 4.16Å; W33-E793 HydrophobicContact CZ2-CG 4.46Å; W33-E793 PolarHBondContact NE1-OE2 2.82Å; P789-E793 PolarHBondContact O-N 3.26Å; F790-E793 WeakPolarHBondContact O-CB 3.34Å; F790-E793 PolarHBondContact O-N 3.07Å; F790-E793 VanDerWaalsContact O-N 3.17Å; E793-I795 VanDerWaalsContact C-N 3.33Å; E793-I795 PolarHBondContact O-N 3.3Å; E793-Y796 WeakPolarHBondContact O-CB 3.35Å; E793-Y796 PolarHBondContact O-N 3.46Å; E793-Y796 VanDerWaalsContact O-N 3.12Å; E793-Q797 HydrophobicContact CG-CG 4.39Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.37Å; E793-Q797 PolarHBondContact O-N 3.41Å; E793-Q797 PolarHBondContact OE1-NE2 3.43Å; E793-S828 WeakPolarHBondContact OE1-CA 3.26Å; E793-S828 WeakPolarHBondContact OE2-CB 3.47Å; E793-S828 PolarHBondContact OE2-OG 3.2Å; E793-I829 HydrophobicContact CB-CG2 4.12Å; E793-I829 PolarHBondContact OE1-N 2.84Å; E793-I829 VanDerWaalsContact OE1-N 3.12Å; E793-H830 IonicContact OE2-CD2 3.1Å; E793-H830 PolarHBondContact OE2-CD2 3Å; E793-H830 IonicContact OE2-NE2 2.82Å
794F96.2Very high96.5Very high5 Ų512.5 Ų12.52%0.0227%0.071CC..Hα-helixtrans-53.3-49177.2168.3-96.9000112.1L16 V20 E25 L672 F790 I791 Q797 H798L16-F794 HydrophobicContact CD2-CE1 4.11Å; L16-F794 HydrophobicContact CD2-CZ 3.57Å; V20-F794 HydrophobicContact CG1-CE1 4.39Å; V20-F794 HydrophobicContact CG1-CZ 4.22Å; V20-F794 HydrophobicContact CG2-CZ 4.39Å; E25-F794 HydrophobicContact CB-CD2 4.27Å; E25-F794 HydrophobicContact CG-CD2 4Å; E25-F794 HydrophobicContact CG-CE2 3.91Å; E25-F794 WeakPolarHBondContact OE2-CE2 3.4Å; L672-F794 HydrophobicContact CD2-CE1 4.08Å; F790-F794 PolarHBondContact O-N 2.66Å; I791-F794 HydrophobicContact CD1-CD1 4.07Å; I791-F794 PolarHBondContact O-N 2.97Å; F794-Q797 PolarHBondContact O-N 3.36Å; F794-H798 AromaticContact CD2-CE1 3.66Å; F794-H798 AromaticContact CD2-ND1 3.98Å; F794-H798 AromaticContact CE2-CE1 3.26Å; F794-H798 WeakPolarHBondContact CE2-CE1 3.34Å; F794-H798 AromaticContact CE2-ND1 3.85Å; F794-H798 AromaticContact CZ-CE1 3.71Å; F794-H798 PolarHBondContact O-N 3.42Å; F794-H798 PolarHBondContact O-ND1 3.36Å
795I96.2Very high96.3Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-63.1-46.4178.2-67.2164.6000110.3W668 L672 I777 T781 I791 E793 Q797 H798 I799W668-I795 HydrophobicContact CD2-CD1 3.49Å; W668-I795 VanDerWaalsContact CD2-CD1 3.49Å; W668-I795 HydrophobicContact CE3-CD1 3.88Å; W668-I795 HydrophobicContact CG-CD1 4.06Å; W668-I795 HydrophobicContact CH2-CD1 3.9Å; W668-I795 HydrophobicContact CZ2-CD1 3.5Å; W668-I795 VanDerWaalsContact CZ2-CD1 3.5Å; W668-I795 HydrophobicContact CZ3-CD1 4.07Å; L672-I795 HydrophobicContact CD1-CG2 4.3Å; L672-I795 HydrophobicContact CD2-CB 4.34Å; L672-I795 HydrophobicContact CD2-CG1 4.02Å; L672-I795 HydrophobicContact CD2-CG2 4.32Å; I777-I795 HydrophobicContact CG2-CG2 3.93Å; T781-I795 HydrophobicContact CG2-CB 4.29Å; T781-I795 HydrophobicContact CG2-CG2 4.23Å; T781-I795 WeakPolarHBondContact OG1-CG2 3.42Å; I791-I795 HydrophobicContact CG1-CD1 4.16Å; I791-I795 WeakPolarHBondContact O-CB 3.48Å; I791-I795 WeakPolarHBondContact O-CD1 3.46Å; I791-I795 WeakPolarHBondContact O-CG1 3.42Å; I791-I795 PolarHBondContact O-N 3.27Å; E793-I795 VanDerWaalsContact C-N 3.33Å; E793-I795 PolarHBondContact O-N 3.3Å; I795-Q797 PolarHBondContact O-N 3.01Å; I795-H798 PolarHBondContact O-N 3.02Å; I795-H798 VanDerWaalsContact O-N 3.13Å; I795-I799 HydrophobicContact CG2-CD1 4.24Å; I795-I799 HydrophobicContact CG2-CG2 4.43Å; I795-I799 WeakPolarHBondContact O-CG1 3.49Å; I795-I799 PolarHBondContact O-N 2.85Å
796Y97.2Very high96Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-58-45.9179.7175.1-109.6000112.3Y778 T792 E793 H798 I799 K800 P826 I829 I832Y778-Y796 HydrophobicContact CE2-CD2 4.42Å; Y778-Y796 HydrophobicContact CE2-CE2 4.36Å; T792-Y796 VanDerWaalsContact O-CB 3.24Å; T792-Y796 WeakPolarHBondContact O-CB 3.45Å; T792-Y796 PolarHBondContact O-N 3Å; E793-Y796 WeakPolarHBondContact O-CB 3.35Å; E793-Y796 PolarHBondContact O-N 3.46Å; E793-Y796 VanDerWaalsContact O-N 3.12Å; Y796-H798 PolarHBondContact O-N 3.14Å; Y796-I799 PolarHBondContact O-N 3.22Å; Y796-I799 VanDerWaalsContact O-N 3.11Å; Y796-K800 HydrophobicContact CD2-CB 4.28Å; Y796-K800 HydrophobicContact CE1-CB 4.24Å; Y796-K800 HydrophobicContact CE1-CD 3.97Å; Y796-K800 HydrophobicContact CE2-CB 3.79Å; Y796-K800 WeakPolarHBondContact O-CB 3.42Å; Y796-K800 PolarHBondContact O-N 3.03Å; Y796-P826 VanDerWaalsContact CE1-O 3.29Å; Y796-P826 WeakPolarHBondContact CE1-O 3.32Å; Y796-P826 WeakPolarHBondContact OH-CD 3.38Å; Y796-P826 PolarHBondContact OH-O 2.69Å; Y796-I829 HydrophobicContact CD1-CB 3.92Å; Y796-I829 VanDerWaalsContact CD1-N 3.35Å; Y796-I829 HydrophobicContact CD2-CB 4.48Å; Y796-I829 HydrophobicContact CD2-CD1 3.84Å; Y796-I829 HydrophobicContact CE2-CD1 4.49Å; Y796-I829 HydrophobicContact CG-CB 3.79Å; Y796-I829 HydrophobicContact CG-CD1 3.98Å; Y796-I829 HydrophobicContact CG-CG1 4.34Å; Y796-I832 HydrophobicContact CD2-CD1 4.24Å; Y796-I832 HydrophobicContact CE2-CD1 3.54Å
797Q95.7Very high95.6Very high47 Ų4718.5 Ų18.522%0.2211%0.105CC..Hα-helixtrans-57.1-33.7178.2-66.7-52.4-44.300112.5E793 F794 I795 K800 D827E793-Q797 HydrophobicContact CG-CG 4.39Å; E793-Q797 VanDerWaalsContact O-CG 3.31Å; E793-Q797 WeakPolarHBondContact O-CG 3.37Å; E793-Q797 PolarHBondContact O-N 3.41Å; E793-Q797 PolarHBondContact OE1-NE2 3.43Å; F794-Q797 PolarHBondContact O-N 3.36Å; I795-Q797 PolarHBondContact O-N 3.01Å; Q797-K800 VanDerWaalsContact OE1-CE 3.25Å; Q797-D827 PolarHBondContact NE2-O 2.89Å
798H94.7Very high95.2Very high43 Ų4321.4 Ų21.420%0.19912%0.121CC..Hα-helixtrans-82.5-27.9178.8-71.383.2000113.7L672 I676 F794 I795 Y796 Y802L672-H798 HydrophobicContact CD2-CB 4.16Å; I676-H798 HydrophobicContact CD1-CB 4.05Å; F794-H798 AromaticContact CD2-CE1 3.66Å; F794-H798 AromaticContact CD2-ND1 3.98Å; F794-H798 AromaticContact CE2-CE1 3.26Å; F794-H798 WeakPolarHBondContact CE2-CE1 3.34Å; F794-H798 AromaticContact CE2-ND1 3.85Å; F794-H798 AromaticContact CZ-CE1 3.71Å; F794-H798 PolarHBondContact O-N 3.42Å; F794-H798 PolarHBondContact O-ND1 3.36Å; I795-H798 PolarHBondContact O-N 3.02Å; I795-H798 VanDerWaalsContact O-N 3.13Å; Y796-H798 PolarHBondContact O-N 3.14Å; H798-Y802 WeakPolarHBondContact O-CE2 3.23Å
799I95.6Very high94.9Very high0 Ų022.7 Ų22.70%013%0.127CC..Hα-helixtrans-96.7-20.7-178.168.9177.9000114.1L672 L774 I777 Y778 I795 Y796 G801 Y802 L803L672-I799 HydrophobicContact CD1-CG2 3.38Å; L774-I799 HydrophobicContact CD1-CB 3.94Å; L774-I799 HydrophobicContact CD1-CD1 4.42Å; L774-I799 HydrophobicContact CD1-CG2 4.26Å; I777-I799 HydrophobicContact CG2-CD1 4.24Å; Y778-I799 HydrophobicContact CD2-CD1 4.11Å; I795-I799 HydrophobicContact CG2-CD1 4.24Å; I795-I799 HydrophobicContact CG2-CG2 4.43Å; I795-I799 WeakPolarHBondContact O-CG1 3.49Å; I795-I799 PolarHBondContact O-N 2.85Å; Y796-I799 PolarHBondContact O-N 3.22Å; Y796-I799 VanDerWaalsContact O-N 3.11Å; I799-G801 PolarHBondContact O-N 3.16Å; I799-G801 VanDerWaalsContact O-N 3.11Å; I799-Y802 PolarHBondContact O-N 3.29Å; I799-L803 HydrophobicContact CG1-CD1 4.48Å
800K95.3Very high94.4Very high51 Ų5130.6 Ų30.622%0.22216%0.161CC..G310 helixtrans-58.1-29.7-173.771.2-178.7-173.4-179.80113.6Y796 Q797 Y802 L803Y796-K800 HydrophobicContact CD2-CB 4.28Å; Y796-K800 HydrophobicContact CE1-CB 4.24Å; Y796-K800 HydrophobicContact CE1-CD 3.97Å; Y796-K800 HydrophobicContact CE2-CB 3.79Å; Y796-K800 WeakPolarHBondContact O-CB 3.42Å; Y796-K800 PolarHBondContact O-N 3.03Å; Q797-K800 VanDerWaalsContact OE1-CE 3.25Å; K800-Y802 PolarHBondContact O-N 2.87Å; K800-L803 PolarHBondContact O-N 2.69Å
801G93.3Very high93.7Very high45 Ų4534.3 Ų34.346%0.46418%0.181SC..G310 helixtrans-69.1-16.5176.700000114.9I799I799-G801 PolarHBondContact O-N 3.16Å; I799-G801 VanDerWaalsContact O-N 3.11Å
802Y96Very high92.9Very high9 Ų942 Ų424%0.03521%0.21CC..G310 helixtrans-97.31175.7-51.8-70.4000112.7L12 I676 I680 F691 I692 V693 H798 I799 K800L12-Y802 HydrophobicContact CD2-CE1 4.47Å; I676-Y802 HydrophobicContact CD1-CE2 4.17Å; I676-Y802 HydrophobicContact CG1-CE2 4.03Å; I680-Y802 HydrophobicContact CD1-CD1 4.29Å; I680-Y802 HydrophobicContact CD1-CD2 4.25Å; I680-Y802 HydrophobicContact CD1-CE1 4.45Å; I680-Y802 HydrophobicContact CD1-CE2 4.44Å; I680-Y802 HydrophobicContact CD1-CG 4.18Å; I680-Y802 HydrophobicContact CG2-CD1 4.18Å; I680-Y802 HydrophobicContact CG2-CE1 3.76Å; F691-Y802 HydrophobicContact CD1-CD1 4.49Å; F691-Y802 WeakPolarHBondContact O-CD1 3.2Å; I692-Y802 WeakPolarHBondContact CA-O 3.47Å; V693-Y802 PolarHBondContact N-O 3.15Å; V693-Y802 VanDerWaalsContact N-O 3.1Å; H798-Y802 WeakPolarHBondContact O-CE2 3.23Å; I799-Y802 PolarHBondContact O-N 3.29Å; K800-Y802 PolarHBondContact O-N 2.87Å
803L95.8Very high92.1Very high12 Ų1247.3 Ų47.36%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-109.7125.6179.3-62.6171.5000109.6V693 L774 Y778 I799 K800 Y805V693-L803 HydrophobicContact CG2-CD2 4.23Å; V693-L803 CarbonylContact O-C 3.6Å; V693-L803 WeakPolarHBondContact O-CA 3.41Å; L774-L803 HydrophobicContact CD1-CD2 4.46Å; L774-L803 HydrophobicContact CD2-CD2 3.94Å; L774-L803 HydrophobicContact CG-CD2 4.15Å; Y778-L803 HydrophobicContact CD1-CD1 4.42Å; Y778-L803 HydrophobicContact CD2-CD1 3.56Å; Y778-L803 HydrophobicContact CE2-CD1 3.74Å; Y778-L803 HydrophobicContact CG-CD1 3.92Å; I799-L803 HydrophobicContact CG1-CD1 4.48Å; K800-L803 PolarHBondContact O-N 2.69Å; L803-Y805 HydrophobicContact CB-CD2 4.18Å; L803-Y805 HydrophobicContact CB-CE2 3.53Å; L803-Y805 HydrophobicContact CD1-CE2 4.28Å; L803-Y805 WeakPolarHBondContact CD1-OH 3.27Å; L803-Y805 WeakPolarHBondContact O-CD2 3.37Å
804D94.6Very high91.4Very high42 Ų4250.7 Ų50.723%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-82.8119.3175.2-175.55.8000110.4I692 V693 K694 S695 T806I692-D804 HydrophobicContact CG2-CB 3.81Å; V693-D804 PolarHBondContact O-N 3.26Å; K694-D804 HydrophobicContact CG-CB 4.28Å; S695-D804 PolarHBondContact N-O 3.27Å; S695-D804 PolarHBondContact OG-O 3.05Å; D804-T806 VanDerWaalsContact CG-OG1 3.31Å; D804-T806 WeakPolarHBondContact OD1-CB 3.43Å; D804-T806 WeakPolarHBondContact OD1-CG2 3.48Å; D804-T806 PolarHBondContact OD1-N 3.29Å; D804-T806 PolarHBondContact OD1-OG1 3.21Å; D804-T806 PolarHBondContact OD2-OG1 3.18Å
805Y93.8Very high90.9Very high11 Ų1152.6 Ų52.64%0.04328%0.281CS..  trans-115.416176.1-67.1-80.6000112.5Y778 L803 D807 N808 T823 G824 A825 P826Y778-Y805 WeakPolarHBondContact CE2-OH 3.48Å; Y778-Y805 PolarHBondContact OH-OH 2.94Å; L803-Y805 HydrophobicContact CB-CD2 4.18Å; L803-Y805 HydrophobicContact CB-CE2 3.53Å; L803-Y805 HydrophobicContact CD1-CE2 4.28Å; L803-Y805 WeakPolarHBondContact CD1-OH 3.27Å; L803-Y805 WeakPolarHBondContact O-CD2 3.37Å; Y805-D807 PolarHBondContact O-N 2.95Å; Y805-N808 WeakPolarHBondContact O-CB 3.38Å; Y805-N808 PolarHBondContact O-N 2.76Å; Y805-T823 CarbonylContact C-O 3.42Å; Y805-G824 VanDerWaalsContact CB-C 3.47Å; Y805-G824 WeakPolarHBondContact CB-O 3.33Å; Y805-A825 HydrophobicContact CD2-CB 3.54Å; Y805-A825 HydrophobicContact CE2-CB 4.08Å; Y805-A825 HydrophobicContact CG-CB 4.15Å; Y805-P826 HydrophobicContact CE1-CG 4.42Å
806T90.9Very high90.5Very high70 Ų7056.2 Ų56.243%0.42930%0.3SS..G310 helixtrans-60.5-19.8-179.153.20000113.3D804 N808 L809D804-T806 VanDerWaalsContact CG-OG1 3.31Å; D804-T806 WeakPolarHBondContact OD1-CB 3.43Å; D804-T806 WeakPolarHBondContact OD1-CG2 3.48Å; D804-T806 PolarHBondContact OD1-N 3.29Å; D804-T806 PolarHBondContact OD1-OG1 3.21Å; D804-T806 PolarHBondContact OD2-OG1 3.18Å; T806-N808 PolarHBondContact O-N 2.91Å; T806-L809 WeakPolarHBondContact O-CB 3.45Å; T806-L809 PolarHBondContact O-N 3.38Å
807D88.9Confident90.3Very high46 Ų4659.7 Ų59.725%0.24632%0.323CS..G310 helixtrans-59.3-32.5171.4-73.6-45.1000112.3K694 Y805 L809 K810K694-D807 IonicContact NZ-OD1 2.77Å; K694-D807 IonicContact NZ-OD2 3.61Å; K694-D807 PolarHBondContact NZ-OD2 2.87Å; Y805-D807 PolarHBondContact O-N 2.95Å; D807-L809 PolarHBondContact O-N 3.11Å; D807-K810 WeakPolarHBondContact O-CB 3.33Å; D807-K810 WeakPolarHBondContact O-CG 3.32Å; D807-K810 PolarHBondContact O-N 3.39Å; D807-K810 WeakPolarHBondContact OD1-CE 3.49Å; D807-K810 IonicContact OD1-NZ 3.53Å; D807-K810 PolarHBondContact OD1-NZ 2.96Å
808N89.1Confident90.1Very high62 Ų6258.6 Ų58.633%0.33232%0.323SS..G310 helixtrans-68.9-19.3174.1-64.3-26000113Y805 T806 L815 Y819 G824Y805-N808 WeakPolarHBondContact O-CB 3.38Å; Y805-N808 PolarHBondContact O-N 2.76Å; T806-N808 PolarHBondContact O-N 2.91Å; N808-L815 HydrophobicContact CB-CD1 4.27Å; N808-Y819 HydrophobicContact CB-CD1 4.42Å; N808-G824 PolarHBondContact ND2-O 3.26Å
809L90.2Very high90.1Very high26 Ų2658.5 Ų58.514%0.13632%0.322CS..G310 helixtrans-90.4-4.8179.5-61.1177.9000113.4T806 D807 D811 R812 L815 E822T806-L809 WeakPolarHBondContact O-CB 3.45Å; T806-L809 PolarHBondContact O-N 3.38Å; D807-L809 PolarHBondContact O-N 3.11Å; L809-D811 PolarHBondContact O-N 3.34Å; L809-R812 WeakPolarHBondContact O-CG 3.47Å; L809-L815 HydrophobicContact CD2-CD1 4.24Å; L809-L815 HydrophobicContact CD2-CD2 4.13Å; L809-E822 WeakPolarHBondContact CD1-O 3.38Å
810K87.5Confident89.9Confident166 Ų16659.9 Ų59.972%0.72233%0.331SS*.THydrogen-bonded Turntrans-57.3-38.6179.2-77.7173168165.40111.9D807D807-K810 WeakPolarHBondContact O-CB 3.33Å; D807-K810 WeakPolarHBondContact O-CG 3.32Å; D807-K810 PolarHBondContact O-N 3.39Å; D807-K810 WeakPolarHBondContact OD1-CE 3.49Å; D807-K810 IonicContact OD1-NZ 3.53Å; D807-K810 PolarHBondContact OD1-NZ 2.96Å
811D84.8Confident89.6Confident80 Ų8061.5 Ų61.543%0.42835%0.349SS..THydrogen-bonded Turntrans-122.488.7170.1179.76.4000110.1L809 S813 S814 L815L809-D811 PolarHBondContact O-N 3.34Å; D811-S813 PolarHBondContact O-N 2.8Å; D811-S813 VanDerWaalsContact O-N 3.13Å; D811-S813 WeakPolarHBondContact OD1-CB 3.49Å; D811-S813 PolarHBondContact OD1-N 2.93Å; D811-S813 PolarHBondContact OD1-OG 3.05Å; D811-S814 WeakPolarHBondContact CB-OG 3.38Å; D811-S814 PolarHBondContact O-N 3.04Å; D811-S814 PolarHBondContact O-OG 3.11Å; D811-S814 PolarHBondContact OD1-N 2.77Å; D811-S814 WeakPolarHBondContact OD2-CB 3.5Å; D811-S814 PolarHBondContact OD2-OG 3.43Å; D811-L815 PolarHBondContact O-N 3.17Å
812R79.9Confident89.4Confident168 Ų16867.3 Ų67.363%0.63436%0.364SS*.G310 helixtrans-59.4-23178-66.7-174.7177.7-169.3-5.2113.4L809 S814 L815L809-R812 WeakPolarHBondContact O-CG 3.47Å; R812-S814 VanDerWaalsContact C-N 3.27Å; R812-L815 WeakPolarHBondContact O-CB 3.38Å; R812-L815 PolarHBondContact O-N 2.95Å
813S80.7Confident89.2Confident110 Ų11070 Ų7077%0.76938%0.381SS*.G310 helixtrans-74.1-22.9177.6760000112.5D811D811-S813 PolarHBondContact O-N 2.8Å; D811-S813 VanDerWaalsContact O-N 3.13Å; D811-S813 WeakPolarHBondContact OD1-CB 3.49Å; D811-S813 PolarHBondContact OD1-N 2.93Å; D811-S813 PolarHBondContact OD1-OG 3.05Å
814S82.6Confident89.1Confident71 Ų7169.4 Ų69.450%0.49738%0.378SS..G310 helixtrans-92.4-0.2174.8740000114.1D811 R812 L816D811-S814 WeakPolarHBondContact CB-OG 3.38Å; D811-S814 PolarHBondContact O-N 3.04Å; D811-S814 PolarHBondContact O-OG 3.11Å; D811-S814 PolarHBondContact OD1-N 2.77Å; D811-S814 WeakPolarHBondContact OD2-CB 3.5Å; D811-S814 PolarHBondContact OD2-OG 3.43Å; R812-S814 VanDerWaalsContact C-N 3.27Å; S814-L816 PolarHBondContact O-N 3.33Å
815L86.3Confident89.1Confident45 Ų4567.6 Ų67.624%0.23637%0.37CS..PPolyproline II helixtrans-64.7119-176.6-168.769.5000110.2N808 L809 D811 R812 Y819N808-L815 HydrophobicContact CB-CD1 4.27Å; L809-L815 HydrophobicContact CD2-CD1 4.24Å; L809-L815 HydrophobicContact CD2-CD2 4.13Å; D811-L815 PolarHBondContact O-N 3.17Å; R812-L815 WeakPolarHBondContact O-CB 3.38Å; R812-L815 PolarHBondContact O-N 2.95Å; L815-Y819 HydrophobicContact CD1-CD1 4.11Å; L815-Y819 HydrophobicContact CD1-CG 4.21Å
816L88.6Confident89.2Confident77 Ų7767.2 Ų67.240%0.40337%0.368SS..PPolyproline II helixtrans-69.4149.2-177.7-65.5173.4000111.4S814 Y819S814-L816 PolarHBondContact O-N 3.33Å; L816-Y819 HydrophobicContact CB-CD2 3.92Å; L816-Y819 HydrophobicContact CB-CE2 3.99Å; L816-Y819 HydrophobicContact CD1-CE2 4.37Å; L816-Y819 WeakPolarHBondContact O-CB 3.33Å; L816-Y819 PolarHBondContact O-N 3.26Å
817P91.2Very high89.4Confident73 Ų7365.6 Ų65.647%0.47436%0.357SS..THydrogen-bonded Turntrans-55141.4175-2432.6000112.3T41 H45 Y819T41-P817 HydrophobicContact CG2-CB 4.28Å; T41-P817 WeakPolarHBondContact CG2-O 3.49Å; H45-P817 PolarHBondContact CE1-O 3.35Å; H45-P817 PolarHBondContact NE2-O 3.25Å; P817-Y819 VanDerWaalsContact C-N 3.31Å
818G92.3Very high89.8Confident23 Ų2363.4 Ų63.424%0.23735%0.345CS..THydrogen-bonded Turntrans74.819.8-17700000114.1D827 Y831G818-D827 VanDerWaalsContact C-OD2 3.25Å; G818-D827 WeakPolarHBondContact CA-OD2 3.4Å; G818-D827 VanDerWaalsContact O-CB 3.27Å; G818-D827 WeakPolarHBondContact O-CB 3.36Å; G818-D827 PolarHBondContact O-N 3.27Å; G818-Y831 WeakPolarHBondContact O-CE2 3.35Å
819Y93.9Very high90.2Very high42 Ų4260.5 Ų60.517%0.16533%0.33CS..BIsolated β-bridgetrans-106.2137162.6-77.4-128.6000108.3H45 N808 L815 L816 P817 S821 G824 A825 P826H45-Y819 AromaticContact CE1-CE2 3.64Å; N808-Y819 HydrophobicContact CB-CD1 4.42Å; L815-Y819 HydrophobicContact CD1-CD1 4.11Å; L815-Y819 HydrophobicContact CD1-CG 4.21Å; L816-Y819 HydrophobicContact CB-CD2 3.92Å; L816-Y819 HydrophobicContact CB-CE2 3.99Å; L816-Y819 HydrophobicContact CD1-CE2 4.37Å; L816-Y819 WeakPolarHBondContact O-CB 3.33Å; L816-Y819 PolarHBondContact O-N 3.26Å; P817-Y819 VanDerWaalsContact C-N 3.31Å; Y819-S821 PolarHBondContact O-N 3.01Å; Y819-G824 WeakPolarHBondContact CD1-O 3.3Å; Y819-A825 WeakPolarHBondContact CA-O 3.46Å; Y819-P826 HydrophobicContact CD1-CG 4.17Å; Y819-P826 HydrophobicContact CD2-CB 4.46Å; Y819-P826 HydrophobicContact CE1-CB 4.24Å; Y819-P826 HydrophobicContact CE1-CG 3.66Å; Y819-P826 HydrophobicContact CE2-CB 4.13Å; Y819-P826 HydrophobicContact CE2-CG 4.37Å
820S92.1Very high90.5Very high29 Ų2959.5 Ų59.520%0.20332%0.324CS..  trans-61.4125.6178.3174.30000111E822 T823 G824 A825S820-E822 PolarHBondContact O-N 2.91Å; S820-E822 PolarHBondContact OG-N 3.45Å; S820-T823 VanDerWaalsContact CB-OG1 3.28Å; S820-T823 WeakPolarHBondContact CB-OG1 3.41Å; S820-T823 PolarHBondContact OG-N 3.46Å; S820-T823 PolarHBondContact OG-OG1 3.3Å; S820-G824 VanDerWaalsContact O-CA 3.23Å; S820-G824 WeakPolarHBondContact O-CA 3.38Å; S820-G824 PolarHBondContact O-N 3.01Å; S820-A825 PolarHBondContact N-O 2.79Å
821S88.9Confident90.9Very high84 Ų8452 Ų5259%0.58729%0.292SS*.THydrogen-bonded Turntrans-68.2-17.3175.360.80000113.6Y819Y819-S821 PolarHBondContact O-N 3.01Å
822E89.8Confident91.4Very high167 Ų16749.2 Ų49.278%0.7828%0.276SS*.THydrogen-bonded Turntrans-93.1-42.9-178.8-64.1-175.717300112.5L809 S820L809-E822 WeakPolarHBondContact CD1-O 3.38Å; S820-E822 PolarHBondContact O-N 2.91Å; S820-E822 PolarHBondContact OG-N 3.45Å
823T91.7Very high92.1Very high65 Ų6546.6 Ų46.640%0.39927%0.271SS..THydrogen-bonded Turntrans-109.6-16.8-173.364.70000113.8Y805 S820 A825Y805-T823 CarbonylContact C-O 3.42Å; S820-T823 VanDerWaalsContact CB-OG1 3.28Å; S820-T823 WeakPolarHBondContact CB-OG1 3.41Å; S820-T823 PolarHBondContact OG-N 3.46Å; S820-T823 PolarHBondContact OG-OG1 3.3Å; T823-A825 PolarHBondContact O-N 3.37Å; T823-A825 WeakPolarHBondContact OG1-CB 3.48Å; T823-A825 PolarHBondContact OG1-N 3.39Å
824G92.9Very high92.7Very high0 Ų041.7 Ų41.70%024%0.238CC..  trans74.20.4-171.300000113.8Y805 N808 Y819 S820Y805-G824 VanDerWaalsContact CB-C 3.47Å; Y805-G824 WeakPolarHBondContact CB-O 3.33Å; N808-G824 PolarHBondContact ND2-O 3.26Å; Y819-G824 WeakPolarHBondContact CD1-O 3.3Å; S820-G824 VanDerWaalsContact O-CA 3.23Å; S820-G824 WeakPolarHBondContact O-CA 3.38Å; S820-G824 PolarHBondContact O-N 3.01Å
825A94.8Very high93.2Very high5 Ų539.4 Ų39.44%0.04122%0.221CC..  trans-70.9135.1-178.200000110.7Y805 Y819 S820 T823 D827Y805-A825 HydrophobicContact CD2-CB 3.54Å; Y805-A825 HydrophobicContact CE2-CB 4.08Å; Y805-A825 HydrophobicContact CG-CB 4.15Å; Y819-A825 WeakPolarHBondContact CA-O 3.46Å; S820-A825 PolarHBondContact N-O 2.79Å; T823-A825 PolarHBondContact O-N 3.37Å; T823-A825 WeakPolarHBondContact OG1-CB 3.48Å; T823-A825 PolarHBondContact OG1-N 3.39Å; A825-D827 PolarHBondContact O-N 2.68Å
826P95.5Very high93.6Very high2 Ų242.7 Ų42.71%0.01324%0.235CC..BIsolated β-bridgetrans-59.2135.5167.8-17.927.2000110.5Y796 Y805 Y819 S828 Y831 I832Y796-P826 VanDerWaalsContact CE1-O 3.29Å; Y796-P826 WeakPolarHBondContact CE1-O 3.32Å; Y796-P826 WeakPolarHBondContact OH-CD 3.38Å; Y796-P826 PolarHBondContact OH-O 2.69Å; Y805-P826 HydrophobicContact CE1-CG 4.42Å; Y819-P826 HydrophobicContact CD1-CG 4.17Å; Y819-P826 HydrophobicContact CD2-CB 4.46Å; Y819-P826 HydrophobicContact CE1-CB 4.24Å; Y819-P826 HydrophobicContact CE1-CG 3.66Å; Y819-P826 HydrophobicContact CE2-CB 4.13Å; Y819-P826 HydrophobicContact CE2-CG 4.37Å; P826-S828 VanDerWaalsContact C-N 3.27Å; P826-S828 PolarHBondContact O-N 3.09Å; P826-Y831 HydrophobicContact CB-CD2 4.33Å; P826-I832 HydrophobicContact CB-CD1 4.38Å; P826-I832 HydrophobicContact CB-CG1 4.09Å; P826-I832 HydrophobicContact CG-CD1 4.05Å; P826-I832 HydrophobicContact CG-CG1 3.78Å
827D95.8Very high93.9Very high37 Ų3740.3 Ų40.320%0.19822%0.224CC..SBendtrans-68.6-30.2-178.9-68.9-28.2000111.8F32 Q797 G818 A825 Y831F32-D827 HydrophobicContact CZ-CB 4.47Å; F32-D827 WeakPolarHBondContact CZ-O 3.22Å; Q797-D827 PolarHBondContact NE2-O 2.89Å; G818-D827 VanDerWaalsContact C-OD2 3.25Å; G818-D827 WeakPolarHBondContact CA-OD2 3.4Å; G818-D827 VanDerWaalsContact O-CB 3.27Å; G818-D827 WeakPolarHBondContact O-CB 3.36Å; G818-D827 PolarHBondContact O-N 3.27Å; A825-D827 PolarHBondContact O-N 2.68Å; D827-Y831 HydrophobicContact CB-CE2 4.19Å
828S97.4Very high94.1Very high0 Ų040.2 Ų40.20%022%0.216CC..SBendtrans-124.8146.2179.6171.30000112.2T38 E793 P826 H830 Y831T38-S828 WeakPolarHBondContact CG2-OG 3.43Å; E793-S828 WeakPolarHBondContact OE1-CA 3.26Å; E793-S828 WeakPolarHBondContact OE2-CB 3.47Å; E793-S828 PolarHBondContact OE2-OG 3.2Å; P826-S828 VanDerWaalsContact C-N 3.27Å; P826-S828 PolarHBondContact O-N 3.09Å; S828-H830 PolarHBondContact O-N 2.75Å; S828-H830 PolarHBondContact OG-CD2 3.29Å; S828-H830 PolarHBondContact OG-N 2.96Å; S828-H830 VanDerWaalsContact OG-N 3.1Å; S828-Y831 PolarHBondContact O-N 3.33Å
829I97.4Very high94.2Very high0 Ų044.3 Ų44.30%023%0.232CC..G310 helixtrans-57.6-28.7171.1-170.955.9000112.2T781 E793 Y796 Y831 I832T781-I829 HydrophobicContact CG2-CD1 4.15Å; T781-I829 HydrophobicContact CG2-CG1 4.18Å; E793-I829 HydrophobicContact CB-CG2 4.12Å; E793-I829 PolarHBondContact OE1-N 2.84Å; E793-I829 VanDerWaalsContact OE1-N 3.12Å; Y796-I829 HydrophobicContact CD1-CB 3.92Å; Y796-I829 VanDerWaalsContact CD1-N 3.35Å; Y796-I829 HydrophobicContact CD2-CB 4.48Å; Y796-I829 HydrophobicContact CD2-CD1 3.84Å; Y796-I829 HydrophobicContact CE2-CD1 4.49Å; Y796-I829 HydrophobicContact CG-CB 3.79Å; Y796-I829 HydrophobicContact CG-CD1 3.98Å; Y796-I829 HydrophobicContact CG-CG1 4.34Å; I829-Y831 PolarHBondContact O-N 2.91Å; I829-I832 HydrophobicContact CD1-CD1 3.92Å; I829-I832 WeakPolarHBondContact O-CB 3.32Å; I829-I832 PolarHBondContact O-N 3.44Å; I829-I832 VanDerWaalsContact O-N 3.11Å
830H97.3Very high94.3Very high5 Ų549.1 Ų49.12%0.02326%0.256CS..G310 helixtrans-78-1.7-175.6-63-69.9000113.5W33 R81 W152 P789 E793 S828W33-H830 AromaticContact CE2-CD2 3.98Å; W33-H830 AromaticContact CZ2-CD2 3.75Å; W33-H830 AromaticContact CZ2-NE2 3.37Å; W33-H830 WeakPolarHBondContact CZ2-NE2 3.17Å; W33-H830 AromaticContact NE1-CD2 3.91Å; R81-H830 PolarHBondContact NH1-CE1 3.46Å; R81-H830 PolarHBondContact NH1-ND1 2.86Å; W152-H830 HydrophobicContact CH2-CB 3.29Å; W152-H830 AromaticContact CH2-CD2 3.79Å; W152-H830 AromaticContact CH2-CG 3.51Å; W152-H830 HydrophobicContact CZ2-CB 4.28Å; W152-H830 AromaticContact CZ2-CD2 3.94Å; W152-H830 HydrophobicContact CZ3-CB 3.74Å; P789-H830 PolarHBondContact O-NE2 2.88Å; P789-H830 VanDerWaalsContact O-NE2 3.13Å; E793-H830 IonicContact OE2-CD2 3.1Å; E793-H830 PolarHBondContact OE2-CD2 3Å; E793-H830 IonicContact OE2-NE2 2.82Å; S828-H830 PolarHBondContact O-N 2.75Å; S828-H830 PolarHBondContact OG-CD2 3.29Å; S828-H830 PolarHBondContact OG-N 2.96Å; S828-H830 VanDerWaalsContact OG-N 3.1Å
831Y96Very high94.4Very high10 Ų1050.6 Ų50.64%0.03926%0.262CS..G310 helixtrans-91.6-8168.8-54.8-24.8000112.7T38 T41 H45 G818 P826 D827 S828 I829T38-Y831 VanDerWaalsContact CA-OH 3.31Å; T38-Y831 WeakPolarHBondContact CA-OH 3.22Å; T38-Y831 HydrophobicContact CG2-CD1 4.48Å; T38-Y831 HydrophobicContact CG2-CE1 3.52Å; T38-Y831 WeakPolarHBondContact CG2-OH 3.32Å; T38-Y831 WeakPolarHBondContact O-CE1 3.28Å; T41-Y831 WeakPolarHBondContact CB-OH 3.37Å; T41-Y831 HydrophobicContact CG2-CE1 3.94Å; T41-Y831 HydrophobicContact CG2-CE2 4.31Å; H45-Y831 AromaticContact CE1-CD1 3.78Å; H45-Y831 AromaticContact CE1-CD2 3.9Å; H45-Y831 AromaticContact CE1-CG 3.53Å; H45-Y831 AromaticContact ND1-CD1 3.97Å; H45-Y831 AromaticContact ND1-CG 3.92Å; G818-Y831 WeakPolarHBondContact O-CE2 3.35Å; P826-Y831 HydrophobicContact CB-CD2 4.33Å; D827-Y831 HydrophobicContact CB-CE2 4.19Å; S828-Y831 PolarHBondContact O-N 3.33Å; I829-Y831 PolarHBondContact O-N 2.91Å
832I94.9Very high94.7Very high20 Ų2048.1 Ų48.110%0.10324%0.242CC..SBendtrans-92.1131.7-176.9-60.9173.4000109Q85 Y778 Y796 P826 I829Q85-I832 PolarHBondContact NE2-O 3.41Å; Y778-I832 HydrophobicContact CE2-CD1 4.22Å; Y796-I832 HydrophobicContact CD2-CD1 4.24Å; Y796-I832 HydrophobicContact CE2-CD1 3.54Å; P826-I832 HydrophobicContact CB-CD1 4.38Å; P826-I832 HydrophobicContact CB-CG1 4.09Å; P826-I832 HydrophobicContact CG-CD1 4.05Å; P826-I832 HydrophobicContact CG-CG1 3.78Å; I829-I832 HydrophobicContact CD1-CD1 3.92Å; I829-I832 WeakPolarHBondContact O-CB 3.32Å; I829-I832 PolarHBondContact O-N 3.44Å; I829-I832 VanDerWaalsContact O-N 3.11Å
833Q93.2Very high95Very high113 Ų11341.5 Ų41.553%0.52821%0.213SC..PPolyproline II helixtrans-68154.5175.6-65.7-167.2-5200111.4Q85Q85-Q833 WeakPolarHBondContact O-CA 3.31Å; Q85-Q833 WeakPolarHBondContact O-CB 3.44Å
834A93.3Very high95.2Very high8 Ų844.5 Ų44.57%0.06622%0.223CC..PPolyproline II helixtrans-64.1139.5177.500000110Q85 E836Q85-A834 HydrophobicContact CB-CB 4Å; Q85-A834 PolarHBondContact O-N 3.36Å; Q85-A834 VanDerWaalsContact O-N 3.14Å; A834-E836 PolarHBondContact O-N 3.36Å
835P93.7Very high95.2Very high23 Ų2350.7 Ų50.715%0.14925%0.252CS..PPolyproline II helixtrans-66.5133.9-176.727.5-34.5000110.9I717 H721 C782I717-P835 HydrophobicContact CD1-CB 4.15Å; I717-P835 HydrophobicContact CD1-CG 3.89Å; I717-P835 HydrophobicContact CG1-CG 4.21Å; I717-P835 HydrophobicContact CG2-CG 4.48Å; I717-P835 WeakPolarHBondContact CG2-O 3.3Å; H721-P835 PolarHBondContact NE2-O 2.92Å; C782-P835 HydrophobicContact CB-CG 4.45Å
836E94.6Very high95.2Very high114 Ų11451 Ų5153%0.53325%0.252SS..PPolyproline II helixtrans-79.5139.1171.5-67.3-63.8163.600111R86 A834 K838R86-E836 IonicContact CZ-OE1 3.82Å; R86-E836 VanDerWaalsContact NH1-CD 3.28Å; R86-E836 IonicContact NH1-OE1 3.67Å; R86-E836 PolarHBondContact NH1-OE1 2.98Å; R86-E836 IonicContact NH1-OE2 2.93Å; R86-E836 PolarHBondContact NH1-OE2 3.1Å; R86-E836 IonicContact NH2-OE1 2.77Å; R86-E836 PolarHBondContact NH2-OE1 3.46Å; R86-E836 IonicContact NH2-OE2 3.72Å; A834-E836 PolarHBondContact O-N 3.36Å; E836-K838 PolarHBondContact O-N 2.9Å
837P95Very high95.3Very high26 Ų2652.4 Ų52.417%0.16926%0.259CS..PPolyproline II helixtrans-72129.6-179.329-31.9000110.6I717 L718 L839I717-P837 HydrophobicContact CB-CB 4.38Å; I717-P837 HydrophobicContact CG2-CB 3.93Å; I717-P837 HydrophobicContact CG2-CG 4.32Å; L718-P837 HydrophobicContact CB-CB 4.08Å; L718-P837 HydrophobicContact CB-CG 4.28Å; L718-P837 HydrophobicContact CD1-CG 4.15Å; P837-L839 PolarHBondContact O-N 3.37Å
838K95.3Very high95.2Very high71 Ų7154.6 Ų54.631%0.30927%0.27SS..  trans-8695.6170.5-69.6-164175.4-175.70110.4F698 Q714 E836 E840 L841F698-K838 HydrophobicContact CD2-CD 3.94Å; F698-K838 HydrophobicContact CE1-CD 4.24Å; F698-K838 HydrophobicContact CE2-CD 3.47Å; F698-K838 VanDerWaalsContact CE2-CD 3.47Å; F698-K838 HydrophobicContact CE2-CG 4.34Å; F698-K838 HydrophobicContact CG-CD 4.48Å; F698-K838 HydrophobicContact CZ-CD 3.6Å; F698-K838 HydrophobicContact CZ-CG 4.13Å; Q714-K838 HydrophobicContact CG-CB 4.36Å; E836-K838 PolarHBondContact O-N 2.9Å; K838-E840 PolarHBondContact O-N 3.16Å; K838-L841 HydrophobicContact CB-CB 4.34Å; K838-L841 HydrophobicContact CB-CD1 3.87Å; K838-L841 HydrophobicContact CB-CG 3.98Å; K838-L841 HydrophobicContact CD-CD1 3.9Å; K838-L841 HydrophobicContact CG-CD1 4.47Å; K838-L841 PolarHBondContact O-N 2.97Å
839L95.5Very high95.1Very high110 Ų11055.1 Ų55.158%0.57627%0.273SS*.G310 helixtrans-59-32-175.9-58.8-177.9000112.4L718 P837 L841 I842L718-L839 HydrophobicContact CD1-CD2 4.47Å; L718-L839 HydrophobicContact CD2-CD2 4.21Å; P837-L839 PolarHBondContact O-N 3.37Å; L839-L841 PolarHBondContact O-N 2.84Å; L839-I842 HydrophobicContact CD2-CD1 4.05Å; L839-I842 WeakPolarHBondContact O-CB 3.42Å; L839-I842 PolarHBondContact O-N 3.47Å; L839-I842 VanDerWaalsContact O-N 3.13Å
840E95.1Very high95Very high143 Ų14355.1 Ų55.167%0.66827%0.273SS*.G310 helixtrans-66.9-18.4177.569.5-82.3-16800114.2K838K838-E840 PolarHBondContact O-N 3.16Å
841L94.1Very high94.9Very high60 Ų6058.3 Ų58.331%0.31429%0.286SS..G310 helixtrans-92.3-9.6175.6-61.1-178.8000112.7F698 S711 Q714 K838 L839F698-L841 HydrophobicContact CD1-CD1 3.28Å; F698-L841 HydrophobicContact CE1-CD1 3.33Å; F698-L841 HydrophobicContact CG-CD1 4.02Å; F698-L841 HydrophobicContact CZ-CD1 4.12Å; S711-L841 WeakPolarHBondContact CA-O 3.33Å; S711-L841 WeakPolarHBondContact CB-O 3.45Å; Q714-L841 HydrophobicContact CG-CB 4.02Å; Q714-L841 HydrophobicContact CG-CD1 4.44Å; K838-L841 HydrophobicContact CB-CB 4.34Å; K838-L841 HydrophobicContact CB-CD1 3.87Å; K838-L841 HydrophobicContact CB-CG 3.98Å; K838-L841 HydrophobicContact CD-CD1 3.9Å; K838-L841 HydrophobicContact CG-CD1 4.47Å; K838-L841 PolarHBondContact O-N 2.97Å; L839-L841 PolarHBondContact O-N 2.84Å
842I96.4Very high94.8Very high32 Ų3259 Ų5916%0.16429%0.288CS..  trans-78.6123177.3-62.7175.6000109.2Q714 S715 L718 L839Q714-I842 HydrophobicContact CB-CD1 4.1Å; Q714-I842 HydrophobicContact CB-CG1 3.58Å; S715-I842 WeakPolarHBondContact OG-CG2 3.23Å; L718-I842 HydrophobicContact CD2-CD1 4.17Å; L839-I842 HydrophobicContact CD2-CD1 4.05Å; L839-I842 WeakPolarHBondContact O-CB 3.42Å; L839-I842 PolarHBondContact O-N 3.47Å; L839-I842 VanDerWaalsContact O-N 3.13Å
843S96.1Very high94.8Very high27 Ų2758 Ų5819%0.18928%0.283CS..  trans-132.788.2-178.7174.40000109.9S711 E845 I846 E847S711-S843 PolarHBondContact OG-N 3.18Å; S843-E845 PolarHBondContact O-N 2.93Å; S843-E845 VanDerWaalsContact O-N 3.16Å; S843-I846 PolarHBondContact O-N 2.76Å; S843-I846 WeakPolarHBondContact OG-CG1 3.35Å; S843-E847 PolarHBondContact O-N 3.2Å; S843-E847 VanDerWaalsContact O-N 3.13Å
844H94.3Very high94.9Very high128 Ų12853.2 Ų53.259%0.59326%0.261SS*.Hα-helixtrans-53.8-35.2178.3-65.1-55.7000113.3I846 E847 D848H844-I846 PolarHBondContact O-N 2.86Å; H844-E847 PolarHBondContact O-N 2.88Å; H844-D848 WeakPolarHBondContact O-CB 3.33Å; H844-D848 PolarHBondContact O-N 2.76Å
845E94.4Very high94.9Very high130 Ų13053.2 Ų53.261%0.60726%0.26SS*.Hα-helixtrans-59.4-44.8176.1-177.2-179.8-171.400112.4S843 D848 I849S843-E845 PolarHBondContact O-N 2.93Å; S843-E845 VanDerWaalsContact O-N 3.16Å; E845-D848 PolarHBondContact O-N 2.95Å; E845-I849 HydrophobicContact CG-CD1 4.16Å; E845-I849 WeakPolarHBondContact O-CD1 3.39Å; E845-I849 VanDerWaalsContact O-CG1 3.23Å; E845-I849 WeakPolarHBondContact O-CG1 3.39Å; E845-I849 PolarHBondContact O-N 3.17Å
846I95.1Very high94.9Very high12 Ų1252.1 Ų52.16%0.06225%0.253CS..Hα-helixtrans-70.2-40.4179.8-68.6175.9000110.1F704 R707 W708 S843 H844 I849 V850F704-I846 HydrophobicContact CE2-CG1 4.33Å; F704-I846 HydrophobicContact CE2-CG2 3.96Å; F704-I846 HydrophobicContact CZ-CG2 4.2Å; R707-I846 HydrophobicContact CB-CD1 4.08Å; W708-I846 HydrophobicContact CB-CG2 3.53Å; W708-I846 HydrophobicContact CG-CG2 4.27Å; S843-I846 PolarHBondContact O-N 2.76Å; S843-I846 WeakPolarHBondContact OG-CG1 3.35Å; H844-I846 PolarHBondContact O-N 2.86Å; I846-I849 PolarHBondContact O-N 3.23Å; I846-V850 WeakPolarHBondContact O-CG2 3.37Å; I846-V850 PolarHBondContact O-N 3.22Å
847E95.6Very high94.9Very high31 Ų3146.7 Ų46.715%0.14523%0.228CC..Hα-helixtrans-61.3-43.2175.5-68.5-178.8-171.600111.9S711 F712 S715 S843 H844 V850 Y851S711-E847 PolarHBondContact OG-OE1 2.82Å; F712-E847 WeakPolarHBondContact CA-OE1 3.48Å; F712-E847 PolarHBondContact N-OE1 3.25Å; S715-E847 WeakPolarHBondContact CB-OE1 3.36Å; S715-E847 PolarHBondContact OG-OE1 2.96Å; S715-E847 PolarHBondContact OG-OE2 3.19Å; S843-E847 PolarHBondContact O-N 3.2Å; S843-E847 VanDerWaalsContact O-N 3.13Å; H844-E847 PolarHBondContact O-N 2.88Å; E847-V850 PolarHBondContact O-N 2.97Å; E847-Y851 WeakPolarHBondContact O-CB 3.17Å; E847-Y851 PolarHBondContact O-N 3.46Å
848D94.2Very high94.9Very high83 Ų8349.5 Ų49.544%0.44424%0.239SC..Hα-helixtrans-63.3-44.4175.5-80.2-17.6000111.5H844 E845 V850 Y851 W852H844-D848 WeakPolarHBondContact O-CB 3.33Å; H844-D848 PolarHBondContact O-N 2.76Å; E845-D848 PolarHBondContact O-N 2.95Å; D848-V850 VanDerWaalsContact C-N 3.32Å; D848-V850 PolarHBondContact O-N 3.4Å; D848-Y851 PolarHBondContact O-N 3.43Å; D848-W852 PolarHBondContact O-N 3.28Å
849I95.7Very high94.7Very high12 Ų1246.8 Ų46.86%0.06223%0.227CC..Hα-helixtrans-57.2-48176.3-68.9162.8000110.7F704 E845 I846 W852 M853 N890 A894F704-I849 HydrophobicContact CE1-CG2 4.47Å; F704-I849 HydrophobicContact CE2-CD1 4.46Å; F704-I849 HydrophobicContact CE2-CG2 4.2Å; F704-I849 HydrophobicContact CZ-CB 4.12Å; F704-I849 HydrophobicContact CZ-CG2 3.56Å; E845-I849 HydrophobicContact CG-CD1 4.16Å; E845-I849 WeakPolarHBondContact O-CD1 3.39Å; E845-I849 VanDerWaalsContact O-CG1 3.23Å; E845-I849 WeakPolarHBondContact O-CG1 3.39Å; E845-I849 PolarHBondContact O-N 3.17Å; I846-I849 PolarHBondContact O-N 3.23Å; I849-W852 PolarHBondContact O-N 3.13Å; I849-M853 WeakPolarHBondContact O-CB 3.43Å; I849-M853 PolarHBondContact O-N 3.14Å; I849-N890 HydrophobicContact CB-CB 4.48Å; I849-N890 HydrophobicContact CG1-CB 3.9Å; I849-A894 HydrophobicContact CG2-CB 3.91Å
850V95.5Very high94.6Very high0 Ų041.5 Ų41.50%020%0.2CC..Hα-helixtrans-69.2-36.6-179.4173.60000111.7F704 M705 W708 I846 E847 D848 M853 Q854F704-V850 HydrophobicContact CE1-CG2 3.62Å; F704-V850 HydrophobicContact CZ-CG2 3.71Å; M705-V850 HydrophobicContact SD-CG2 4.47Å; W708-V850 HydrophobicContact CB-CG2 3.98Å; W708-V850 HydrophobicContact CD2-CB 4.11Å; W708-V850 HydrophobicContact CD2-CG1 3.69Å; W708-V850 HydrophobicContact CD2-CG2 3.95Å; W708-V850 HydrophobicContact CE3-CG1 4.28Å; W708-V850 HydrophobicContact CG-CB 3.95Å; W708-V850 HydrophobicContact CG-CG1 4.1Å; W708-V850 HydrophobicContact CG-CG2 3.52Å; W708-V850 HydrophobicContact CH2-CG1 4.14Å; W708-V850 HydrophobicContact CZ2-CG1 3.55Å; W708-V850 HydrophobicContact CZ3-CG1 4.47Å; I846-V850 WeakPolarHBondContact O-CG2 3.37Å; I846-V850 PolarHBondContact O-N 3.22Å; E847-V850 PolarHBondContact O-N 2.97Å; D848-V850 VanDerWaalsContact C-N 3.32Å; D848-V850 PolarHBondContact O-N 3.4Å; V850-M853 HydrophobicContact CG1-CE 3.86Å; V850-M853 WeakPolarHBondContact O-CB 3.38Å; V850-M853 PolarHBondContact O-N 2.96Å; V850-Q854 HydrophobicContact CG1-CG 4.14Å; V850-Q854 WeakPolarHBondContact O-CB 3.42Å; V850-Q854 WeakPolarHBondContact O-CG 3.43Å; V850-Q854 PolarHBondContact O-N 2.76Å
851Y94.6Very high94.4Very high72 Ų7237.3 Ų37.328%0.28218%0.178SC..Hα-helixtrans-57.5-51.2174.3173.2-100.4000111.6E847 D848 M853 Q854 S855 K1029E847-Y851 WeakPolarHBondContact O-CB 3.17Å; E847-Y851 PolarHBondContact O-N 3.46Å; D848-Y851 PolarHBondContact O-N 3.43Å; Y851-M853 VanDerWaalsContact C-N 3.35Å; Y851-M853 PolarHBondContact O-N 3.46Å; Y851-Q854 WeakPolarHBondContact O-CB 3.24Å; Y851-Q854 PolarHBondContact O-N 2.85Å; Y851-S855 PolarHBondContact O-N 3.21Å; Y851-S855 PolarHBondContact O-OG 2.77Å; Y851-K1029 HydrophobicContact CE1-CD 4.26Å; Y851-K1029 VanDerWaalsContact CZ-NZ 3.32Å; Y851-K1029 WeakPolarHBondContact OH-CD 3.31Å; Y851-K1029 VanDerWaalsContact OH-CE 3.27Å; Y851-K1029 WeakPolarHBondContact OH-CE 3.33Å; Y851-K1029 PolarHBondContact OH-NZ 3.45Å
852W94.7Very high94.2Very high24 Ų2438.8 Ų38.89%0.09119%0.185CC..Hα-helixtrans-68-34.7-180-68.5115.6000112.7D848 I849 A856 I887 I891 K1029 L1031D848-W852 PolarHBondContact O-N 3.28Å; I849-W852 PolarHBondContact O-N 3.13Å; W852-A856 WeakPolarHBondContact O-CB 3.31Å; W852-A856 PolarHBondContact O-N 3.43Å; W852-I887 HydrophobicContact CD2-CB 4.5Å; W852-I887 HydrophobicContact CD2-CD1 4.38Å; W852-I887 HydrophobicContact CD2-CG1 4.21Å; W852-I887 HydrophobicContact CD2-CG2 3.63Å; W852-I887 HydrophobicContact CE3-CG2 3.8Å; W852-I887 HydrophobicContact CG-CG2 3.96Å; W852-I887 HydrophobicContact CH2-CD1 3.59Å; W852-I887 HydrophobicContact CH2-CG1 4.43Å; W852-I887 HydrophobicContact CZ2-CD1 3.21Å; W852-I887 HydrophobicContact CZ2-CG1 3.77Å; W852-I887 HydrophobicContact CZ2-CG2 4.43Å; W852-I887 HydrophobicContact CZ3-CD1 4.33Å; W852-I887 HydrophobicContact CZ3-CG2 4.26Å; W852-I891 HydrophobicContact CB-CD1 4.28Å; W852-I891 HydrophobicContact CB-CG1 3.8Å; W852-K1029 HydrophobicContact CH2-CB 4.06Å; W852-K1029 HydrophobicContact CH2-CD 3.89Å; W852-K1029 HydrophobicContact CZ3-CB 4.42Å; W852-L1031 HydrophobicContact CE3-CD2 4.17Å; W852-L1031 HydrophobicContact CZ3-CB 4.25Å; W852-L1031 HydrophobicContact CZ3-CD2 4.48Å
853M94.9Very high93.9Very high0 Ų037.3 Ų37.30%018%0.178CC..Hα-helixtrans-59.2-47.4170.1179.2-161.273.700111.4W746 M750 I849 V850 Y851 A856 V857 A894 Y897 I898W746-M853 HydrophobicContact CE3-CE 4.23Å; W746-M853 HydrophobicContact CZ3-CE 4.34Å; M750-M853 HydrophobicContact CE-CE 3.82Å; M750-M853 HydrophobicContact CE-SD 4.36Å; M750-M853 HydrophobicContact SD-CE 4.08Å; I849-M853 WeakPolarHBondContact O-CB 3.43Å; I849-M853 PolarHBondContact O-N 3.14Å; V850-M853 HydrophobicContact CG1-CE 3.86Å; V850-M853 WeakPolarHBondContact O-CB 3.38Å; V850-M853 PolarHBondContact O-N 2.96Å; Y851-M853 VanDerWaalsContact C-N 3.35Å; Y851-M853 PolarHBondContact O-N 3.46Å; M853-A856 PolarHBondContact O-N 2.95Å; M853-V857 WeakPolarHBondContact O-CG2 3.41Å; M853-V857 PolarHBondContact O-N 3.49Å; M853-A894 HydrophobicContact CB-CB 3.78Å; M853-A894 HydrophobicContact CG-CB 3.78Å; M853-A894 HydrophobicContact SD-CB 3.92Å; M853-Y897 WeakPolarHBondContact SD-CB 3.4Å; M853-Y897 HydrophobicContact SD-CD2 4.01Å; M853-Y897 HydrophobicContact SD-CG 3.91Å; M853-I898 HydrophobicContact CB-CD1 4.47Å; M853-I898 HydrophobicContact CB-CG1 4.43Å; M853-I898 HydrophobicContact CG-CD1 4.18Å; M853-I898 HydrophobicContact CG-CG1 3.64Å
854Q94.5Very high93.6Very high11 Ų1136.2 Ų36.25%0.05117%0.169CC..Hα-helixtrans-62.2-47.7179.3-73.6173.1-16.800111.3H742 W746 V850 Y851 A856 V857 E858H742-Q854 PolarHBondContact CE1-OE1 2.86Å; H742-Q854 PolarHBondContact ND1-NE2 3.49Å; H742-Q854 VanDerWaalsContact ND1-NE2 3.18Å; W746-Q854 HydrophobicContact CD2-CG 3.66Å; W746-Q854 HydrophobicContact CE3-CG 3.7Å; W746-Q854 HydrophobicContact CG-CG 4.39Å; W746-Q854 HydrophobicContact CH2-CB 3.87Å; W746-Q854 HydrophobicContact CH2-CG 3.75Å; W746-Q854 HydrophobicContact CZ2-CB 3.85Å; W746-Q854 HydrophobicContact CZ2-CG 3.71Å; W746-Q854 HydrophobicContact CZ3-CB 4.3Å; W746-Q854 HydrophobicContact CZ3-CG 3.75Å; V850-Q854 HydrophobicContact CG1-CG 4.14Å; V850-Q854 WeakPolarHBondContact O-CB 3.42Å; V850-Q854 WeakPolarHBondContact O-CG 3.43Å; V850-Q854 PolarHBondContact O-N 2.76Å; Y851-Q854 WeakPolarHBondContact O-CB 3.24Å; Y851-Q854 PolarHBondContact O-N 2.85Å; Q854-A856 VanDerWaalsContact C-N 3.33Å; Q854-A856 PolarHBondContact O-N 3.32Å; Q854-V857 PolarHBondContact O-N 3.28Å; Q854-E858 WeakPolarHBondContact O-CB 3.38Å; Q854-E858 WeakPolarHBondContact O-CG 3.21Å; Q854-E858 PolarHBondContact O-N 3.01Å
855S93.7Very high93.3Very high9 Ų935.5 Ų35.56%0.06317%0.174CC..Hα-helixtrans-59.6-42.5177.7-60.20000111.9Y851 E858 L859Y851-S855 PolarHBondContact O-N 3.21Å; Y851-S855 PolarHBondContact O-OG 2.77Å; S855-E858 PolarHBondContact O-N 3.33Å; S855-L859 WeakPolarHBondContact O-CB 3.44Å; S855-L859 VanDerWaalsContact O-CG 3.28Å; S855-L859 WeakPolarHBondContact O-CG 3.15Å; S855-L859 PolarHBondContact O-N 2.84Å
856A94.6Very high92.9Very high0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-63-43.8176.100000112.3W852 M853 Q854 G860 V880 I898 L1031 V1033W852-A856 WeakPolarHBondContact O-CB 3.31Å; W852-A856 PolarHBondContact O-N 3.43Å; M853-A856 PolarHBondContact O-N 2.95Å; Q854-A856 VanDerWaalsContact C-N 3.33Å; Q854-A856 PolarHBondContact O-N 3.32Å; A856-G860 PolarHBondContact O-N 2.99Å; A856-V880 HydrophobicContact CB-CG2 4.46Å; A856-I898 HydrophobicContact CB-CD1 4.28Å; A856-L1031 HydrophobicContact CB-CD2 4.37Å; A856-V1033 HydrophobicContact CB-CG2 4.32Å
857V94.5Very high92.5Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-67.2-40.3178.31690000111.7W746 M853 Q854 G860 R861 I898 E901 L902W746-V857 HydrophobicContact CH2-CB 3.82Å; W746-V857 HydrophobicContact CH2-CG1 3.68Å; W746-V857 HydrophobicContact CZ3-CB 4.14Å; W746-V857 HydrophobicContact CZ3-CG1 3.98Å; M853-V857 WeakPolarHBondContact O-CG2 3.41Å; M853-V857 PolarHBondContact O-N 3.49Å; Q854-V857 PolarHBondContact O-N 3.28Å; V857-G860 PolarHBondContact O-N 3.13Å; V857-R861 HydrophobicContact CG1-CG 4.45Å; V857-R861 WeakPolarHBondContact O-CB 3.24Å; V857-R861 VanDerWaalsContact O-CG 3.31Å; V857-R861 WeakPolarHBondContact O-CG 3.45Å; V857-R861 PolarHBondContact O-N 3.19Å; V857-I898 HydrophobicContact CG2-CB 4.35Å; V857-I898 HydrophobicContact CG2-CG1 4.19Å; V857-I898 HydrophobicContact CG2-CG2 4.26Å; V857-E901 HydrophobicContact CG1-CB 3.87Å; V857-E901 HydrophobicContact CG2-CB 4.05Å; V857-L902 HydrophobicContact CG1-CD2 4.33Å; V857-L902 HydrophobicContact CG2-CG 4.4Å; V857-L902 WeakPolarHBondContact O-CD2 3.49Å
858E93.8Very high91.9Very high85 Ų8542.5 Ų42.540%0.39721%0.21SC..Hα-helixtrans-64.8-46.9178-77.2168.6175.200111.7W746 Q854 S855 G860 R861 I862W746-E858 HydrophobicContact CH2-CG 4.43Å; W746-E858 HydrophobicContact CZ2-CG 4.04Å; Q854-E858 WeakPolarHBondContact O-CB 3.38Å; Q854-E858 WeakPolarHBondContact O-CG 3.21Å; Q854-E858 PolarHBondContact O-N 3.01Å; S855-E858 PolarHBondContact O-N 3.33Å; E858-G860 VanDerWaalsContact C-N 3.32Å; E858-G860 PolarHBondContact O-N 3.39Å; E858-R861 PolarHBondContact O-N 3.05Å; E858-I862 VanDerWaalsContact O-CG1 3.32Å; E858-I862 WeakPolarHBondContact O-CG1 3.41Å; E858-I862 PolarHBondContact O-N 3.22Å
859L92.7Very high91.4Very high13 Ų1340.7 Ų40.77%0.06820%0.2CC..Hα-helixtrans-60.5-42.4174.9-69.2174.7000111.5S855 R861 I862 I863 A1025 D1027 L1031 V1033S855-L859 WeakPolarHBondContact O-CB 3.44Å; S855-L859 VanDerWaalsContact O-CG 3.28Å; S855-L859 WeakPolarHBondContact O-CG 3.15Å; S855-L859 PolarHBondContact O-N 2.84Å; L859-R861 PolarHBondContact O-N 2.99Å; L859-I862 HydrophobicContact CD2-CD1 4.43Å; L859-I862 WeakPolarHBondContact O-CB 3.35Å; L859-I862 PolarHBondContact O-N 3.17Å; L859-I863 WeakPolarHBondContact O-CG1 3.39Å; L859-I863 PolarHBondContact O-N 2.9Å; L859-I863 VanDerWaalsContact O-N 3.08Å; L859-A1025 HydrophobicContact CB-CB 4.16Å; L859-A1025 HydrophobicContact CD2-CB 3.97Å; L859-D1027 HydrophobicContact CD1-CB 4.32Å; L859-D1027 HydrophobicContact CD2-CB 4.47Å; L859-L1031 HydrophobicContact CD1-CB 4.32Å; L859-L1031 HydrophobicContact CD1-CD2 4Å; L859-L1031 HydrophobicContact CD1-CG 4.15Å; L859-V1033 HydrophobicContact CB-CB 3.86Å; L859-V1033 HydrophobicContact CB-CG2 3.68Å; L859-V1033 HydrophobicContact CD1-CG2 3.85Å; L859-V1033 HydrophobicContact CG-CG2 4.42Å
860G92.8Very high90.7Very high0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-60.6-44173.700000112.6A856 V857 E858 I862 I863 R864 L1035A856-G860 PolarHBondContact O-N 2.99Å; V857-G860 PolarHBondContact O-N 3.13Å; E858-G860 VanDerWaalsContact C-N 3.32Å; E858-G860 PolarHBondContact O-N 3.39Å; G860-I862 VanDerWaalsContact C-N 3.35Å; G860-I862 PolarHBondContact O-N 2.97Å; G860-I863 WeakPolarHBondContact O-CB 3.47Å; G860-I863 PolarHBondContact O-N 3.41Å; G860-R864 WeakPolarHBondContact O-CG 3.22Å; G860-R864 PolarHBondContact O-N 3.01Å; G860-L1035 WeakPolarHBondContact O-CD1 3.28Å
861R90.8Very high90Very high54 Ų5447 Ų4720%0.20424%0.236CC..Hα-helixtrans-63.4-38.9175.7-74.1174.2-178.1169.56.9112.3V857 E858 L859 I863 R864 T865 E901 L902V857-R861 HydrophobicContact CG1-CG 4.45Å; V857-R861 WeakPolarHBondContact O-CB 3.24Å; V857-R861 VanDerWaalsContact O-CG 3.31Å; V857-R861 WeakPolarHBondContact O-CG 3.45Å; V857-R861 PolarHBondContact O-N 3.19Å; E858-R861 PolarHBondContact O-N 3.05Å; L859-R861 PolarHBondContact O-N 2.99Å; R861-I863 VanDerWaalsContact C-N 3.31Å; R861-I863 PolarHBondContact O-N 2.76Å; R861-R864 PolarHBondContact O-N 3.41Å; R861-T865 PolarHBondContact O-N 3.46Å; R861-T865 PolarHBondContact O-OG1 2.9Å; R861-E901 IonicContact CZ-OE2 3.71Å; R861-E901 IonicContact NH2-OE2 2.6Å; R861-E901 PolarHBondContact NH2-OE2 3.04Å; R861-L902 HydrophobicContact CG-CD2 4.35Å
862I90Very high89.2Confident92 Ų9246.6 Ų46.647%0.47224%0.236SC..Hα-helixtrans-59-44.5175-71.2165000110.6E858 L859 G860 T865 R866 A1025E858-I862 VanDerWaalsContact O-CG1 3.32Å; E858-I862 WeakPolarHBondContact O-CG1 3.41Å; E858-I862 PolarHBondContact O-N 3.22Å; L859-I862 HydrophobicContact CD2-CD1 4.43Å; L859-I862 WeakPolarHBondContact O-CB 3.35Å; L859-I862 PolarHBondContact O-N 3.17Å; G860-I862 VanDerWaalsContact C-N 3.35Å; G860-I862 PolarHBondContact O-N 2.97Å; I862-T865 PolarHBondContact O-N 2.95Å; I862-R866 WeakPolarHBondContact O-CB 3.34Å; I862-R866 PolarHBondContact O-N 2.83Å; I862-A1025 HydrophobicContact CG2-CB 4.44Å
863I89.2Confident88.6Confident0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-58.7-50.5174.3-63.2160.9000110L859 G860 R861 T865 R866 C867 E1023 A1025 V1033 L1035L859-I863 WeakPolarHBondContact O-CG1 3.39Å; L859-I863 PolarHBondContact O-N 2.9Å; L859-I863 VanDerWaalsContact O-N 3.08Å; G860-I863 WeakPolarHBondContact O-CB 3.47Å; G860-I863 PolarHBondContact O-N 3.41Å; R861-I863 VanDerWaalsContact C-N 3.31Å; R861-I863 PolarHBondContact O-N 2.76Å; I863-T865 PolarHBondContact O-N 3.34Å; I863-R866 PolarHBondContact O-N 3.36Å; I863-C867 WeakPolarHBondContact O-CB 3.42Å; I863-C867 PolarHBondContact O-N 2.97Å; I863-C867 PolarHBondContact O-SG 2.81Å; I863-E1023 HydrophobicContact CG2-CB 3.51Å; I863-A1025 HydrophobicContact CD1-CB 3.95Å; I863-A1025 HydrophobicContact CG1-CB 3.62Å; I863-V1033 HydrophobicContact CD1-CB 4.38Å; I863-V1033 HydrophobicContact CD1-CG1 4.14Å; I863-V1033 WeakPolarHBondContact CD1-O 3.46Å; I863-L1035 HydrophobicContact CB-CD1 3.86Å; I863-L1035 HydrophobicContact CB-CG 4.34Å; I863-L1035 HydrophobicContact CD1-CD1 4.36Å; I863-L1035 HydrophobicContact CD1-CG 3.99Å; I863-L1035 HydrophobicContact CG2-CB 4.05Å; I863-L1035 HydrophobicContact CG2-CD1 3.83Å; I863-L1035 HydrophobicContact CG2-CG 4.17Å
864R90.3Very high88.2Confident4 Ų446 Ų462%0.01524%0.236CC..Hα-helixtrans-58.3-44.4-179.9-66.1-169.879.8106.115.4112.8G860 R861 C867 N868 L869 P870 A873 L875 L902 L1035G860-R864 WeakPolarHBondContact O-CG 3.22Å; G860-R864 PolarHBondContact O-N 3.01Å; R861-R864 PolarHBondContact O-N 3.41Å; R864-C867 CarbonylContact O-C 3.41Å; R864-C867 PolarHBondContact O-N 3.1Å; R864-N868 PolarHBondContact O-N 2.92Å; R864-L869 HydrophobicContact CB-CB 4.25Å; R864-L869 HydrophobicContact CG-CB 4.47Å; R864-L869 PolarHBondContact NE-O 3.33Å; R864-L869 PolarHBondContact O-N 2.82Å; R864-P870 PolarHBondContact NH2-O 3.23Å; R864-A873 PolarHBondContact NH1-O 2.99Å; R864-A873 PolarHBondContact NH2-O 3.37Å; R864-L875 VanDerWaalsContact NH1-CD1 3.28Å; R864-L902 PolarHBondContact NH1-O 3.46Å; R864-L1035 HydrophobicContact CG-CD1 3.69Å
865T87.3Confident87.9Confident114 Ų11446 Ų4670%0.69924%0.236SC*.Hα-helixtrans-63.7-45.3178.2-62.30000111.5R861 I862 I863 C867 N868R861-T865 PolarHBondContact O-N 3.46Å; R861-T865 PolarHBondContact O-OG1 2.9Å; I862-T865 PolarHBondContact O-N 2.95Å; I863-T865 PolarHBondContact O-N 3.34Å; T865-C867 VanDerWaalsContact C-N 3.34Å; T865-C867 PolarHBondContact O-N 3.38Å; T865-N868 PolarHBondContact O-N 3.41Å; T865-N868 VanDerWaalsContact O-N 3.14Å
866R87.6Confident87.7Confident134 Ų13450.9 Ų50.951%0.50625%0.253SS..Hα-helixtrans-62.6-39.3178.6174.9172.534160.1-3.6112.4I862 I863 N868 T1024I862-R866 WeakPolarHBondContact O-CB 3.34Å; I862-R866 PolarHBondContact O-N 2.83Å; I863-R866 PolarHBondContact O-N 3.36Å; R866-N868 VanDerWaalsContact C-N 3.28Å; R866-N868 PolarHBondContact O-N 3.35Å; R866-T1024 VanDerWaalsContact CZ-O 3.3Å; R866-T1024 PolarHBondContact NH1-O 3.25Å; R866-T1024 PolarHBondContact NH2-O 3.28Å
867C85.1Confident87.6Confident38 Ų3852.6 Ų52.626%0.25726%0.261SS..THydrogen-bonded Turntrans-86.45.2177.7-55.70000113.3I863 R864 T865 L869 E1023I863-C867 WeakPolarHBondContact O-CB 3.42Å; I863-C867 PolarHBondContact O-N 2.97Å; I863-C867 PolarHBondContact O-SG 2.81Å; R864-C867 CarbonylContact O-C 3.41Å; R864-C867 PolarHBondContact O-N 3.1Å; T865-C867 VanDerWaalsContact C-N 3.34Å; T865-C867 PolarHBondContact O-N 3.38Å; C867-L869 HydrophobicContact CB-CD1 3.78Å; C867-L869 HydrophobicContact CB-CG 3.81Å; C867-L869 PolarHBondContact O-N 2.99Å; C867-E1023 VanDerWaalsContact SG-CG 3.53Å
868N83.3Confident87.5Confident148 Ų14852.6 Ų52.679%0.79126%0.261SS*.THydrogen-bonded Turntrans53.136.6-176.5-158.527.7000114.1R864 T865 R866 P870R864-N868 PolarHBondContact O-N 2.92Å; T865-N868 PolarHBondContact O-N 3.41Å; T865-N868 VanDerWaalsContact O-N 3.14Å; R866-N868 VanDerWaalsContact C-N 3.28Å; R866-N868 PolarHBondContact O-N 3.35Å; N868-P870 WeakPolarHBondContact O-CD 3.13Å
869L83.7Confident87.4Confident45 Ų4548.6 Ų48.624%0.23624%0.242CC..  trans-91.9112.3-178.6-65.1171.9000110.7R864 C867 L871 L875 T1037R864-L869 HydrophobicContact CB-CB 4.25Å; R864-L869 HydrophobicContact CG-CB 4.47Å; R864-L869 PolarHBondContact NE-O 3.33Å; R864-L869 PolarHBondContact O-N 2.82Å; C867-L869 HydrophobicContact CB-CD1 3.78Å; C867-L869 HydrophobicContact CB-CG 3.81Å; C867-L869 PolarHBondContact O-N 2.99Å; L869-L871 PolarHBondContact O-N 2.99Å; L869-L875 HydrophobicContact CD1-CD1 4.31Å; L869-L875 HydrophobicContact CD1-CD2 4.37Å; L869-T1037 HydrophobicContact CD1-CG2 3.58Å
870P81.2Confident87.4Confident59 Ų5948 Ų4838%0.38324%0.239SC..  trans-65.8138.9-179.726.4-32.7000110.8R864 N868 K872 A873R864-P870 PolarHBondContact NH2-O 3.23Å; N868-P870 WeakPolarHBondContact O-CD 3.13Å; P870-K872 PolarHBondContact O-N 2.79Å; P870-A873 HydrophobicContact CG-CB 4.16Å; P870-A873 WeakPolarHBondContact O-CB 3.48Å; P870-A873 PolarHBondContact O-N 2.78Å
871L80.6Confident87.2Confident84 Ų8448.1 Ų48.144%0.4424%0.24SC..THydrogen-bonded Turntrans-54.6-28.1-178.7-101.3140.8000114.4L869 A873 E901 N903L869-L871 PolarHBondContact O-N 2.99Å; L871-A873 VanDerWaalsContact C-N 3.27Å; L871-A873 PolarHBondContact O-N 3.46Å; L871-E901 WeakPolarHBondContact CD2-O 3.46Å; L871-N903 VanDerWaalsContact O-CB 3.3Å; L871-N903 WeakPolarHBondContact O-CB 3.49Å; L871-N903 PolarHBondContact O-ND2 3.2Å
872K77.3Confident87.2Confident64 Ų6446 Ų4628%0.27823%0.233SC..THydrogen-bonded Turntrans-75.9-13.2178.5-64.9178.9-170.4168.80114.2P870 P874 N903 E1051 N1054P870-K872 PolarHBondContact O-N 2.79Å; K872-P874 WeakPolarHBondContact O-CD 3.31Å; K872-N903 PolarHBondContact O-ND2 3.38Å; K872-E1051 WeakPolarHBondContact CD-OE2 3.08Å; K872-E1051 WeakPolarHBondContact CE-OE2 3.44Å; K872-E1051 IonicContact NZ-OE1 3.42Å; K872-E1051 IonicContact NZ-OE2 3.95Å; K872-E1051 PolarHBondContact NZ-OE2 2.85Å; K872-N1054 PolarHBondContact NZ-ND2 3.46Å
873A82.2Confident86.9Confident8 Ų846.4 Ų46.47%0.06624%0.243CC..SBendtrans-76.7111.1171.600000108.5R864 P870 L871 N903 R1047R864-A873 PolarHBondContact NH1-O 2.99Å; R864-A873 PolarHBondContact NH2-O 3.37Å; P870-A873 HydrophobicContact CG-CB 4.16Å; P870-A873 WeakPolarHBondContact O-CB 3.48Å; P870-A873 PolarHBondContact O-N 2.78Å; L871-A873 VanDerWaalsContact C-N 3.27Å; L871-A873 PolarHBondContact O-N 3.46Å; A873-N903 PolarHBondContact O-ND2 3.05Å; A873-R1047 HydrophobicContact CB-CB 4.2Å; A873-R1047 HydrophobicContact CB-CG 3.77Å
874P86.5Confident86.8Confident4 Ų449.2 Ų49.23%0.02626%0.258CS..  trans-63.7140.7172.924.8-26.3000109.4K872 N903 L1043 E1046K872-P874 WeakPolarHBondContact O-CD 3.31Å; P874-N903 CarbonylContact C-O 3.54Å; P874-N903 WeakPolarHBondContact CA-ND2 3.34Å; P874-N903 VanDerWaalsContact CA-O 3.25Å; P874-N903 WeakPolarHBondContact CA-O 3.41Å; P874-L1043 HydrophobicContact CB-CD2 4.03Å; P874-L1043 WeakPolarHBondContact CD-O 3.46Å; P874-L1043 HydrophobicContact CG-CB 3.97Å; P874-L1043 HydrophobicContact CG-CD2 3.81Å; P874-L1043 HydrophobicContact CG-CG 4.4Å; P874-L1043 WeakPolarHBondContact O-CD1 3.47Å; P874-E1046 HydrophobicContact CG-CB 4.2Å; P874-E1046 HydrophobicContact CG-CG 4.34Å; P874-E1046 WeakPolarHBondContact CG-OE2 3.43Å
875L89.6Confident86.7Confident11 Ų1153.6 Ų53.66%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-109.1157.5173.3-65.6178.4000109.7R864 L869 N903 V904 R905 L1035R864-L875 VanDerWaalsContact NH1-CD1 3.28Å; L869-L875 HydrophobicContact CD1-CD1 4.31Å; L869-L875 HydrophobicContact CD1-CD2 4.37Å; L875-N903 PolarHBondContact N-O 3.28Å; L875-V904 HydrophobicContact CB-CG1 3.91Å; L875-V904 CarbonylContact O-C 3.5Å; L875-V904 VanDerWaalsContact O-CA 3.23Å; L875-V904 WeakPolarHBondContact O-CA 3.3Å; L875-R905 PolarHBondContact O-N 3.49Å; L875-L1035 HydrophobicContact CD1-CB 4.31Å; L875-L1035 HydrophobicContact CD1-CD1 3.98Å
876R88.6Confident86.9Confident112 Ų11253.3 Ų53.342%0.42328%0.281SS..EExtended strand (participates in β ladder)trans-66-55.4-178-77.2-179.5168.4-174.5-3.7111.9R905 V906 D1036 D1040 L1043R876-R905 VanDerWaalsContact O-CB 3.29Å; R876-R905 WeakPolarHBondContact O-CB 3.45Å; R876-R905 PolarHBondContact O-N 3.12Å; R876-V906 PolarHBondContact O-N 3.35Å; R876-D1036 HydrophobicContact CB-CB 4.34Å; R876-D1036 WeakPolarHBondContact CB-OD2 3.35Å; R876-D1040 IonicContact CZ-OD2 2.6Å; R876-D1040 IonicContact NE-OD2 3.86Å; R876-D1040 PolarHBondContact NE-OD2 3.22Å; R876-D1040 IonicContact NH2-OD2 3.65Å; R876-D1040 PolarHBondContact NH2-OD2 3.4Å; R876-L1043 HydrophobicContact CG-CD1 3.8Å
877E92Very high87Confident36 Ų3647.6 Ų47.617%0.16826%0.261CS..EExtended strand (participates in β ladder)trans-147.3150.5-173.262-177.6167.300113.3I879 V906 K1021 Y1022 D1036E877-I879 HydrophobicContact CG-CD1 4.26Å; E877-V906 CarbonylContact C-O 3.46Å; E877-V906 VanDerWaalsContact CA-O 3.25Å; E877-V906 WeakPolarHBondContact CA-O 3.33Å; E877-V906 HydrophobicContact CB-CB 4.32Å; E877-K1021 IonicContact OE1-NZ 2.79Å; E877-K1021 PolarHBondContact OE1-NZ 3.2Å; E877-Y1022 WeakPolarHBondContact OE1-CE1 3.21Å; E877-Y1022 PolarHBondContact OE1-OH 3.46Å; E877-D1036 HydrophobicContact CG-CB 3.45Å; E877-D1036 VanDerWaalsContact CG-CB 3.45Å; E877-D1036 PolarHBondContact O-N 3.22Å
878A92.9Very high87.4Confident0 Ų046.7 Ų46.70%025%0.253CS..EExtended strand (participates in β ladder)trans-113.8132.8160.900000108.9L902 V904 V906 L907 T908 I1034 L1035A878-L902 HydrophobicContact CB-CD1 4.38Å; A878-V904 HydrophobicContact CB-CB 4.48Å; A878-V904 HydrophobicContact CB-CG1 4.1Å; A878-V904 HydrophobicContact CB-CG2 4.11Å; A878-V906 PolarHBondContact N-O 3.13Å; A878-L907 HydrophobicContact CB-CD1 3.83Å; A878-L907 WeakPolarHBondContact O-CA 3.47Å; A878-T908 PolarHBondContact O-N 2.89Å; A878-I1034 CarbonylContact C-O 3.54Å; A878-I1034 VanDerWaalsContact CA-O 3.31Å; A878-I1034 WeakPolarHBondContact CA-O 3.43Å; A878-L1035 HydrophobicContact CB-CD2 3.6Å
879I92.2Very high87.8Confident0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-110.2128171.2-52.5112.9000108.7E877 I881 T908 T910 Y916 Y1022 V1033 I1034E877-I879 HydrophobicContact CG-CD1 4.26Å; I879-I881 HydrophobicContact CG2-CD1 4.33Å; I879-I881 HydrophobicContact CG2-CG1 3.99Å; I879-T908 CarbonylContact C-O 3.59Å; I879-T908 VanDerWaalsContact CA-O 3.28Å; I879-T908 WeakPolarHBondContact CA-O 3.28Å; I879-T908 HydrophobicContact CG2-CG2 4.46Å; I879-T910 HydrophobicContact CG2-CG2 3.78Å; I879-Y916 HydrophobicContact CB-CE1 4.47Å; I879-Y916 HydrophobicContact CD1-CD1 3.78Å; I879-Y916 HydrophobicContact CD1-CE1 3.58Å; I879-Y916 HydrophobicContact CG1-CD1 4.23Å; I879-Y916 HydrophobicContact CG1-CE1 3.67Å; I879-Y916 HydrophobicContact CG2-CD2 4.25Å; I879-Y916 HydrophobicContact CG2-CE1 4.24Å; I879-Y916 HydrophobicContact CG2-CE2 3.89Å; I879-Y1022 HydrophobicContact CD1-CD1 4.16Å; I879-Y1022 HydrophobicContact CD1-CE1 3.78Å; I879-V1033 CarbonylContact O-C 3.59Å; I879-V1033 WeakPolarHBondContact O-CA 3.3Å; I879-I1034 HydrophobicContact CB-CB 4.1Å; I879-I1034 HydrophobicContact CD1-CB 4.22Å; I879-I1034 HydrophobicContact CD1-CG2 4.12Å; I879-I1034 PolarHBondContact N-O 3.36Å; I879-I1034 PolarHBondContact O-N 3.23Å
880V91.5Very high88.1Confident0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-112.1125176.2-175.40000109.1A856 I891 L907 T908 T909 T910 L1031 L1032 V1033A856-V880 HydrophobicContact CB-CG2 4.46Å; V880-I891 HydrophobicContact CB-CG2 4.33Å; V880-I891 HydrophobicContact CG1-CD1 3.55Å; V880-I891 HydrophobicContact CG1-CG2 4.24Å; V880-I891 HydrophobicContact CG2-CG2 4.25Å; V880-L907 HydrophobicContact CG2-CD1 3.75Å; V880-T908 PolarHBondContact N-O 3.03Å; V880-T909 WeakPolarHBondContact O-CA 3.44Å; V880-T910 PolarHBondContact O-N 3.18Å; V880-L1031 HydrophobicContact CG1-CD1 3.59Å; V880-L1031 HydrophobicContact CG1-CG 4.41Å; V880-L1032 CarbonylContact C-O 3.45Å; V880-L1032 WeakPolarHBondContact CA-O 3.39Å; V880-V1033 HydrophobicContact CG2-CG2 4.3Å
881I90Very high88.7Confident3 Ų342.3 Ų42.32%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-118.1127.5-175.9-44.3-167.6000109.8I879 T910 K913 Y916 V918 L1032 I1034I879-I881 HydrophobicContact CG2-CD1 4.33Å; I879-I881 HydrophobicContact CG2-CG1 3.99Å; I881-T910 VanDerWaalsContact CA-O 3.26Å; I881-T910 WeakPolarHBondContact CA-O 3.13Å; I881-T910 HydrophobicContact CB-CG2 4.37Å; I881-T910 HydrophobicContact CD1-CG2 3.95Å; I881-T910 HydrophobicContact CG1-CG2 3.64Å; I881-T910 HydrophobicContact CG2-CG2 4.35Å; I881-K913 HydrophobicContact CG2-CG 3.96Å; I881-Y916 HydrophobicContact CD1-CD2 4.1Å; I881-V918 HydrophobicContact CD1-CG2 4.31Å; I881-L1032 HydrophobicContact CB-CB 4.14Å; I881-L1032 HydrophobicContact CB-CD2 4.21Å; I881-L1032 HydrophobicContact CB-CG 4.37Å; I881-L1032 HydrophobicContact CD1-CD2 4.09Å; I881-L1032 HydrophobicContact CG1-CD2 4.38Å; I881-L1032 PolarHBondContact N-O 3.17Å; I881-L1032 PolarHBondContact O-N 3.44Å; I881-I1034 HydrophobicContact CD1-CD1 3.66Å; I881-I1034 HydrophobicContact CD1-CG1 4.41Å; I881-I1034 HydrophobicContact CG1-CD1 4.39Å
882H89.4Confident89.2Confident11 Ų1144 Ų445%0.05122%0.224CC..  trans-151.9148.3174.1-162.1-83.5000110D884 I887 L888 T910 S911 K1029 L1031H882-D884 WeakPolarHBondContact ND1-CB 3.29Å; H882-D884 PolarHBondContact ND1-N 2.96Å; H882-I887 HydrophobicContact CB-CG2 4.18Å; H882-I887 WeakPolarHBondContact CE1-CD1 3.41Å; H882-L888 HydrophobicContact CB-CD2 3.8Å; H882-L888 HydrophobicContact CB-CG 4.22Å; H882-T910 PolarHBondContact N-O 2.95Å; H882-S911 WeakPolarHBondContact O-CA 3.42Å; H882-K1029 PolarHBondContact NE2-O 3.4Å; H882-L1031 HydrophobicContact CB-CD1 4.12Å
883S85.1Confident89.9Confident100 Ų10044.6 Ų44.670%0.69924%0.237SC*.SBendtrans-73.5-38.1-18051.50000112.9P885S883-P885 WeakPolarHBondContact O-CD 3.27Å
884D86.9Confident90.4Very high59 Ų5944.3 Ų44.332%0.31623%0.234SC..  trans-76.2119.1177.8-171.7-15.1000112.6H882 N886 I887 L888H882-D884 WeakPolarHBondContact ND1-CB 3.29Å; H882-D884 PolarHBondContact ND1-N 2.96Å; D884-N886 VanDerWaalsContact C-N 3.3Å; D884-N886 PolarHBondContact O-N 3.3Å; D884-N886 WeakPolarHBondContact OD1-CB 2.95Å; D884-N886 PolarHBondContact OD1-N 3.21Å; D884-I887 HydrophobicContact CB-CB 4.29Å; D884-I887 HydrophobicContact CB-CD1 3.88Å; D884-I887 HydrophobicContact CB-CG1 4.09Å; D884-I887 PolarHBondContact O-N 2.97Å; D884-L888 PolarHBondContact O-N 3.34Å
885P88.8Confident90.7Very high95 Ų9547.8 Ų47.862%0.61725%0.25SC*.Hα-helixtrans-61.4-30.8175.7-21.933.6000114.7S883 I887 L888 K889S883-P885 WeakPolarHBondContact O-CD 3.27Å; P885-I887 VanDerWaalsContact C-N 3.35Å; P885-L888 PolarHBondContact O-N 2.91Å; P885-K889 PolarHBondContact O-N 3.32Å
886N90.3Very high90.8Very high108 Ų10851.9 Ų51.958%0.57828%0.275SS*.Hα-helixtrans-67.1-39.2179.9-69.9-39.2000111D884 K889 N890D884-N886 VanDerWaalsContact C-N 3.3Å; D884-N886 PolarHBondContact O-N 3.3Å; D884-N886 WeakPolarHBondContact OD1-CB 2.95Å; D884-N886 PolarHBondContact OD1-N 3.21Å; N886-K889 WeakPolarHBondContact O-CB 3.38Å; N886-K889 PolarHBondContact O-N 2.77Å; N886-N890 PolarHBondContact O-N 2.76Å; N886-N890 PolarHBondContact O-OD1 2.89Å
887I90.8Very high91Very high14 Ų1449 Ų497%0.07227%0.265CS..Hα-helixtrans-63.7-43.4175.7-68.2173.4000110.4W852 H882 D884 P885 K889 N890 I891 L1031W852-I887 HydrophobicContact CD2-CB 4.5Å; W852-I887 HydrophobicContact CD2-CD1 4.38Å; W852-I887 HydrophobicContact CD2-CG1 4.21Å; W852-I887 HydrophobicContact CD2-CG2 3.63Å; W852-I887 HydrophobicContact CE3-CG2 3.8Å; W852-I887 HydrophobicContact CG-CG2 3.96Å; W852-I887 HydrophobicContact CH2-CD1 3.59Å; W852-I887 HydrophobicContact CH2-CG1 4.43Å; W852-I887 HydrophobicContact CZ2-CD1 3.21Å; W852-I887 HydrophobicContact CZ2-CG1 3.77Å; W852-I887 HydrophobicContact CZ2-CG2 4.43Å; W852-I887 HydrophobicContact CZ3-CD1 4.33Å; W852-I887 HydrophobicContact CZ3-CG2 4.26Å; H882-I887 HydrophobicContact CB-CG2 4.18Å; H882-I887 WeakPolarHBondContact CE1-CD1 3.41Å; D884-I887 HydrophobicContact CB-CB 4.29Å; D884-I887 HydrophobicContact CB-CD1 3.88Å; D884-I887 HydrophobicContact CB-CG1 4.09Å; D884-I887 PolarHBondContact O-N 2.97Å; P885-I887 VanDerWaalsContact C-N 3.35Å; I887-K889 VanDerWaalsContact C-N 3.31Å; I887-K889 PolarHBondContact O-N 3.47Å; I887-N890 WeakPolarHBondContact O-CB 3.35Å; I887-N890 PolarHBondContact O-N 3.01Å; I887-I891 HydrophobicContact CG2-CD1 4.02Å; I887-I891 WeakPolarHBondContact O-CG1 3.47Å; I887-I891 PolarHBondContact O-N 2.96Å; I887-L1031 HydrophobicContact CG2-CD1 4.44Å
888L91.7Very high91Very high20 Ų2047.2 Ų47.211%0.10526%0.257CS..Hα-helixtrans-61.6-39.5175.3-63.6178.1000112H882 D884 P885 I891 K892H882-L888 HydrophobicContact CB-CD2 3.8Å; H882-L888 HydrophobicContact CB-CG 4.22Å; D884-L888 PolarHBondContact O-N 3.34Å; P885-L888 PolarHBondContact O-N 2.91Å; L888-I891 PolarHBondContact O-N 3.45Å; L888-K892 WeakPolarHBondContact O-CB 3.38Å; L888-K892 PolarHBondContact O-N 3.33Å
889K92Very high91.1Very high135 Ų13549.5 Ų49.559%0.58727%0.268SS*.Hα-helixtrans-62.6-42.6174.8-175-172.5175-166.30111.7P885 N886 I887 K892 S893P885-K889 PolarHBondContact O-N 3.32Å; N886-K889 WeakPolarHBondContact O-CB 3.38Å; N886-K889 PolarHBondContact O-N 2.77Å; I887-K889 VanDerWaalsContact C-N 3.31Å; I887-K889 PolarHBondContact O-N 3.47Å; K889-K892 PolarHBondContact O-N 3.46Å; K889-S893 PolarHBondContact O-N 3.36Å; K889-S893 PolarHBondContact O-OG 3.19Å
890N91.2Very high91Very high25 Ų2555 Ų5513%0.13429%0.294CS..Hα-helixtrans-60.9-49.4177.2-74.2-4.3000111.2I849 N886 I887 K892 S893 A894I849-N890 HydrophobicContact CB-CB 4.48Å; I849-N890 HydrophobicContact CG1-CB 3.9Å; N886-N890 PolarHBondContact O-N 2.76Å; N886-N890 PolarHBondContact O-OD1 2.89Å; I887-N890 WeakPolarHBondContact O-CB 3.35Å; I887-N890 PolarHBondContact O-N 3.01Å; N890-K892 VanDerWaalsContact C-N 3.31Å; N890-K892 PolarHBondContact O-N 2.95Å; N890-S893 WeakPolarHBondContact O-CB 3.41Å; N890-S893 PolarHBondContact O-N 3.19Å; N890-S893 VanDerWaalsContact O-N 3.12Å; N890-A894 PolarHBondContact O-N 3.19Å
891I92.7Very high90.9Very high0 Ų056 Ų560%030%0.299CS..Hα-helixtrans-59.7-42.9177.8-68.8177.8000111.2W852 V880 I887 L888 S893 A894 Q895 I898 L907 T909 L1031W852-I891 HydrophobicContact CB-CD1 4.28Å; W852-I891 HydrophobicContact CB-CG1 3.8Å; V880-I891 HydrophobicContact CB-CG2 4.33Å; V880-I891 HydrophobicContact CG1-CD1 3.55Å; V880-I891 HydrophobicContact CG1-CG2 4.24Å; V880-I891 HydrophobicContact CG2-CG2 4.25Å; I887-I891 HydrophobicContact CG2-CD1 4.02Å; I887-I891 WeakPolarHBondContact O-CG1 3.47Å; I887-I891 PolarHBondContact O-N 2.96Å; L888-I891 PolarHBondContact O-N 3.45Å; I891-S893 VanDerWaalsContact C-N 3.31Å; I891-S893 PolarHBondContact O-N 3.35Å; I891-A894 CarbonylContact O-C 3.51Å; I891-A894 PolarHBondContact O-N 2.83Å; I891-Q895 PolarHBondContact O-N 3.45Å; I891-I898 HydrophobicContact CG2-CD1 3.65Å; I891-L907 HydrophobicContact CG2-CD2 4.26Å; I891-T909 HydrophobicContact CG2-CG2 4.02Å; I891-L1031 HydrophobicContact CD1-CD1 3.58Å; I891-L1031 HydrophobicContact CD1-CD2 4.48Å
892K92.1Very high91Very high119 Ų11956 Ų5652%0.51730%0.298SS..Hα-helixtrans-65.7-34.3177.9-163.6159.5-172.6169.60112.7L888 K889 N890 A894 Q895 T909L888-K892 WeakPolarHBondContact O-CB 3.38Å; L888-K892 PolarHBondContact O-N 3.33Å; K889-K892 PolarHBondContact O-N 3.46Å; N890-K892 VanDerWaalsContact C-N 3.31Å; N890-K892 PolarHBondContact O-N 2.95Å; K892-A894 VanDerWaalsContact C-N 3.26Å; K892-A894 PolarHBondContact O-N 3.41Å; K892-Q895 VanDerWaalsContact O-CB 3.3Å; K892-Q895 WeakPolarHBondContact O-CB 3.44Å; K892-Q895 WeakPolarHBondContact O-CG 3.35Å; K892-Q895 PolarHBondContact O-N 2.87Å; K892-T909 HydrophobicContact CB-CG2 4.38Å
893S92Very high91.1Very high77 Ų7757 Ų5754%0.53830%0.304SS..Hα-helixtrans-66-30.4176.1-55.90000112.2K889 N890 I891K889-S893 PolarHBondContact O-N 3.36Å; K889-S893 PolarHBondContact O-OG 3.19Å; N890-S893 WeakPolarHBondContact O-CB 3.41Å; N890-S893 PolarHBondContact O-N 3.19Å; N890-S893 VanDerWaalsContact O-N 3.12Å; I891-S893 VanDerWaalsContact C-N 3.31Å; I891-S893 PolarHBondContact O-N 3.35Å
894A91.8Very high91.4Very high1 Ų152.5 Ų52.51%0.00827%0.273CS..THydrogen-bonded Turntrans-9613.3176.100000114.2I849 M853 N890 I891 K892 T896 Y897 I898I849-A894 HydrophobicContact CG2-CB 3.91Å; M853-A894 HydrophobicContact CB-CB 3.78Å; M853-A894 HydrophobicContact CG-CB 3.78Å; M853-A894 HydrophobicContact SD-CB 3.92Å; N890-A894 PolarHBondContact O-N 3.19Å; I891-A894 CarbonylContact O-C 3.51Å; I891-A894 PolarHBondContact O-N 2.83Å; K892-A894 VanDerWaalsContact C-N 3.26Å; K892-A894 PolarHBondContact O-N 3.41Å; A894-T896 PolarHBondContact O-N 3.24Å; A894-T896 VanDerWaalsContact O-N 3.07Å; A894-Y897 PolarHBondContact O-N 2.85Å; A894-Y897 VanDerWaalsContact O-N 3.08Å; A894-I898 PolarHBondContact O-N 3.25Å
895Q93.5Very high91.5Very high78 Ų7856.1 Ų56.136%0.36428%0.282SS..Hα-helixtrans-54-36.8-170.267.7180-2.500113.9I891 K892 Y897 I898 I899 L907I891-Q895 PolarHBondContact O-N 3.45Å; K892-Q895 VanDerWaalsContact O-CB 3.3Å; K892-Q895 WeakPolarHBondContact O-CB 3.44Å; K892-Q895 WeakPolarHBondContact O-CG 3.35Å; K892-Q895 PolarHBondContact O-N 2.87Å; Q895-Y897 VanDerWaalsContact C-N 3.3Å; Q895-Y897 PolarHBondContact O-N 3.39Å; Q895-I898 PolarHBondContact O-N 3.11Å; Q895-I899 HydrophobicContact CB-CD1 4.42Å; Q895-I899 WeakPolarHBondContact O-CB 3.34Å; Q895-I899 WeakPolarHBondContact O-CG1 3.48Å; Q895-I899 PolarHBondContact O-N 3.02Å; Q895-L907 HydrophobicContact CB-CD2 3.73Å
896T91.8Very high91.7Very high96 Ų9655.2 Ų55.259%0.58927%0.274SS*.Hα-helixtrans-59.5-42.7-177.7-49.70000111.3A894 E900A894-T896 PolarHBondContact O-N 3.24Å; A894-T896 VanDerWaalsContact O-N 3.07Å; T896-E900 WeakPolarHBondContact O-CB 3.43Å; T896-E900 PolarHBondContact O-N 3.08Å; T896-E900 VanDerWaalsContact O-N 3.1Å
897Y91.8Very high91.8Very high51 Ų5151 Ų5120%0.225%0.252CS..Hα-helixtrans-70.5-39178.3-62-72.8000112F704 M705 M750 M853 A894 Q895 E900 E901F704-Y897 AromaticContact CD1-CE2 3.71Å; F704-Y897 HydrophobicContact CD1-CE2 3.71Å; F704-Y897 HydrophobicContact CE1-CE2 4.22Å; M705-Y897 HydrophobicContact CG-CE1 3.79Å; M705-Y897 HydrophobicContact CG-CE2 4.35Å; M705-Y897 WeakPolarHBondContact CG-OH 3.29Å; M705-Y897 HydrophobicContact SD-CE1 4.4Å; M705-Y897 HydrophobicContact SD-CE2 4.49Å; M750-Y897 HydrophobicContact SD-CD1 4.08Å; M853-Y897 WeakPolarHBondContact SD-CB 3.4Å; M853-Y897 HydrophobicContact SD-CD2 4.01Å; M853-Y897 HydrophobicContact SD-CG 3.91Å; A894-Y897 PolarHBondContact O-N 2.85Å; A894-Y897 VanDerWaalsContact O-N 3.08Å; Q895-Y897 VanDerWaalsContact C-N 3.3Å; Q895-Y897 PolarHBondContact O-N 3.39Å; Y897-E900 PolarHBondContact O-N 3.34Å; Y897-E901 VanDerWaalsContact O-CB 3.31Å; Y897-E901 WeakPolarHBondContact O-CB 3.4Å; Y897-E901 WeakPolarHBondContact O-CG 3.22Å; Y897-E901 PolarHBondContact O-N 3.06Å
898I93.3Very high91.8Very high0 Ų052.2 Ų52.20%026%0.26CS..Hα-helixtrans-66.2-44.8179.2-58.1175.9000110.3M853 A856 V857 I891 A894 Q895 E901 L902 L907M853-I898 HydrophobicContact CB-CD1 4.47Å; M853-I898 HydrophobicContact CB-CG1 4.43Å; M853-I898 HydrophobicContact CG-CD1 4.18Å; M853-I898 HydrophobicContact CG-CG1 3.64Å; A856-I898 HydrophobicContact CB-CD1 4.28Å; V857-I898 HydrophobicContact CG2-CB 4.35Å; V857-I898 HydrophobicContact CG2-CG1 4.19Å; V857-I898 HydrophobicContact CG2-CG2 4.26Å; I891-I898 HydrophobicContact CG2-CD1 3.65Å; A894-I898 PolarHBondContact O-N 3.25Å; Q895-I898 PolarHBondContact O-N 3.11Å; I898-E901 PolarHBondContact O-N 2.82Å; I898-L902 HydrophobicContact CG2-CD1 3.79Å; I898-L902 HydrophobicContact CG2-CG 4.35Å; I898-L902 VanDerWaalsContact O-CB 3.3Å; I898-L902 WeakPolarHBondContact O-CB 3.36Å; I898-L902 PolarHBondContact O-N 3.12Å; I898-L907 HydrophobicContact CB-CD2 4.11Å; I898-L907 HydrophobicContact CD1-CD2 3.95Å; I898-L907 HydrophobicContact CG2-CD1 3.9Å; I898-L907 HydrophobicContact CG2-CD2 4.09Å
899I94.1Very high91.8Very high48 Ų4852.9 Ų52.925%0.24627%0.265CS..Hα-helixtrans-60.6-46.9177.8-72.3173000110.5Q895 N903 V904 L907Q895-I899 HydrophobicContact CB-CD1 4.42Å; Q895-I899 WeakPolarHBondContact O-CB 3.34Å; Q895-I899 WeakPolarHBondContact O-CG1 3.48Å; Q895-I899 PolarHBondContact O-N 3.02Å; I899-N903 VanDerWaalsContact O-CA 3.26Å; I899-N903 WeakPolarHBondContact O-CA 3.47Å; I899-N903 PolarHBondContact O-N 2.96Å; I899-V904 HydrophobicContact CB-CG2 4.44Å; I899-V904 HydrophobicContact CG1-CG2 4.23Å; I899-V904 VanDerWaalsContact CG2-O 3.22Å; I899-V904 WeakPolarHBondContact CG2-O 3.42Å; I899-V904 PolarHBondContact O-N 3.12Å; I899-L907 HydrophobicContact CD1-CB 4.07Å; I899-L907 HydrophobicContact CG1-CB 3.88Å
900E89.8Confident91.7Very high114 Ų11447.4 Ų47.453%0.53324%0.243SC..Hα-helixtrans-67-45.3178.7-171172.2-169.800111.9K753 T896 Y897 N903K753-E900 IonicContact NZ-OE1 3.23Å; K753-E900 PolarHBondContact NZ-OE1 3.38Å; T896-E900 WeakPolarHBondContact O-CB 3.43Å; T896-E900 PolarHBondContact O-N 3.08Å; T896-E900 VanDerWaalsContact O-N 3.1Å; Y897-E900 PolarHBondContact O-N 3.34Å; E900-N903 PolarHBondContact O-N 2.96Å
901E90.8Very high91.4Very high23 Ų2350 Ų5011%0.10726%0.263CS..Hα-helixtrans-73.9-33.4-176.8-76.8-63.5145.100114.1R749 M750 V857 R861 L871 Y897 I898 N903R749-E901 IonicContact NH1-OE2 3.87Å; R749-E901 PolarHBondContact NH1-OE2 2.83Å; R749-E901 VanDerWaalsContact NH1-OE2 3.12Å; M750-E901 HydrophobicContact CE-CG 3.48Å; M750-E901 VanDerWaalsContact CE-CG 3.48Å; V857-E901 HydrophobicContact CG1-CB 3.87Å; V857-E901 HydrophobicContact CG2-CB 4.05Å; R861-E901 IonicContact CZ-OE2 3.71Å; R861-E901 IonicContact NH2-OE2 2.6Å; R861-E901 PolarHBondContact NH2-OE2 3.04Å; L871-E901 WeakPolarHBondContact CD2-O 3.46Å; Y897-E901 VanDerWaalsContact O-CB 3.31Å; Y897-E901 WeakPolarHBondContact O-CB 3.4Å; Y897-E901 WeakPolarHBondContact O-CG 3.22Å; Y897-E901 PolarHBondContact O-N 3.06Å; I898-E901 PolarHBondContact O-N 2.82Å; E901-N903 VanDerWaalsContact C-N 3.34Å
902L91.3Very high90.7Very high1 Ų153.4 Ų53.41%0.00528%0.281CS..Hα-helixtrans-85.7-10.8173.5-65.9-177.9000112.6V857 R861 R864 A878 I898 V904 L1035V857-L902 HydrophobicContact CG1-CD2 4.33Å; V857-L902 HydrophobicContact CG2-CG 4.4Å; V857-L902 WeakPolarHBondContact O-CD2 3.49Å; R861-L902 HydrophobicContact CG-CD2 4.35Å; R864-L902 PolarHBondContact NH1-O 3.46Å; A878-L902 HydrophobicContact CB-CD1 4.38Å; I898-L902 HydrophobicContact CG2-CD1 3.79Å; I898-L902 HydrophobicContact CG2-CG 4.35Å; I898-L902 VanDerWaalsContact O-CB 3.3Å; I898-L902 WeakPolarHBondContact O-CB 3.36Å; I898-L902 PolarHBondContact O-N 3.12Å; L902-V904 HydrophobicContact CB-CG1 4.04Å; L902-V904 HydrophobicContact CB-CG2 4.24Å; L902-L1035 HydrophobicContact CD1-CD2 4.49Å
903N90.3Very high89.9Confident33 Ų3350.6 Ų50.618%0.17627%0.269CS..THydrogen-bonded Turntrans48.858.3-173.5-168.726000110.8L871 K872 A873 P874 L875 I899 E900 E901L871-N903 VanDerWaalsContact O-CB 3.3Å; L871-N903 WeakPolarHBondContact O-CB 3.49Å; L871-N903 PolarHBondContact O-ND2 3.2Å; K872-N903 PolarHBondContact O-ND2 3.38Å; A873-N903 PolarHBondContact O-ND2 3.05Å; P874-N903 CarbonylContact C-O 3.54Å; P874-N903 WeakPolarHBondContact CA-ND2 3.34Å; P874-N903 VanDerWaalsContact CA-O 3.25Å; P874-N903 WeakPolarHBondContact CA-O 3.41Å; L875-N903 PolarHBondContact N-O 3.28Å; I899-N903 VanDerWaalsContact O-CA 3.26Å; I899-N903 WeakPolarHBondContact O-CA 3.47Å; I899-N903 PolarHBondContact O-N 2.96Å; E900-N903 PolarHBondContact O-N 2.96Å; E901-N903 VanDerWaalsContact C-N 3.34Å
904V91.8Very high88.8Confident5 Ų554.4 Ų54.43%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-113.2157.9176.8-67.80000109.5L875 A878 I899 L902 L1035L875-V904 HydrophobicContact CB-CG1 3.91Å; L875-V904 CarbonylContact O-C 3.5Å; L875-V904 VanDerWaalsContact O-CA 3.23Å; L875-V904 WeakPolarHBondContact O-CA 3.3Å; A878-V904 HydrophobicContact CB-CB 4.48Å; A878-V904 HydrophobicContact CB-CG1 4.1Å; A878-V904 HydrophobicContact CB-CG2 4.11Å; I899-V904 HydrophobicContact CB-CG2 4.44Å; I899-V904 HydrophobicContact CG1-CG2 4.23Å; I899-V904 VanDerWaalsContact CG2-O 3.22Å; I899-V904 WeakPolarHBondContact CG2-O 3.42Å; I899-V904 PolarHBondContact O-N 3.12Å; L902-V904 HydrophobicContact CB-CG1 4.04Å; L902-V904 HydrophobicContact CB-CG2 4.24Å; V904-L1035 HydrophobicContact CG1-CD2 4.07Å
905R89.8Confident87.9Confident136 Ų13661.7 Ų61.751%0.51331%0.305SS..EExtended strand (participates in β ladder)trans-84.1-39.7176.5-58.9-58.2-167.2153.11.8112.6L875 R876 L1043 E1046L875-R905 PolarHBondContact O-N 3.49Å; R876-R905 VanDerWaalsContact O-CB 3.29Å; R876-R905 WeakPolarHBondContact O-CB 3.45Å; R876-R905 PolarHBondContact O-N 3.12Å; R905-L1043 HydrophobicContact CG-CD2 4.5Å; R905-E1046 IonicContact CZ-OE2 3.62Å; R905-E1046 IonicContact NH2-OE1 2.86Å; R905-E1046 IonicContact NH2-OE2 3.04Å; R905-E1046 PolarHBondContact NH2-OE2 3.48Å
906V91.8Very high86.8Confident76 Ų7658.9 Ų58.946%0.46129%0.291SS..EExtended strand (participates in β ladder)trans-129.1137.9-176-178.20000110.6R876 E877 A878R876-V906 PolarHBondContact O-N 3.35Å; E877-V906 CarbonylContact C-O 3.46Å; E877-V906 VanDerWaalsContact CA-O 3.25Å; E877-V906 WeakPolarHBondContact CA-O 3.33Å; E877-V906 HydrophobicContact CB-CB 4.32Å; A878-V906 PolarHBondContact N-O 3.13Å
907L93.2Very high85.5Confident19 Ų1956 Ų5610%0.09928%0.28CS..EExtended strand (participates in β ladder)trans-110.1120.2168.3-176.870.8000109.3A878 V880 I891 Q895 I898 I899A878-L907 HydrophobicContact CB-CD1 3.83Å; A878-L907 WeakPolarHBondContact O-CA 3.47Å; V880-L907 HydrophobicContact CG2-CD1 3.75Å; I891-L907 HydrophobicContact CG2-CD2 4.26Å; Q895-L907 HydrophobicContact CB-CD2 3.73Å; I898-L907 HydrophobicContact CB-CD2 4.11Å; I898-L907 HydrophobicContact CD1-CD2 3.95Å; I898-L907 HydrophobicContact CG2-CD1 3.9Å; I898-L907 HydrophobicContact CG2-CD2 4.09Å; I899-L907 HydrophobicContact CD1-CB 4.07Å; I899-L907 HydrophobicContact CG1-CB 3.88Å
908T92.1Very high84.4Confident40 Ų4054.1 Ų54.125%0.24527%0.274CS..EExtended strand (participates in β ladder)trans-110.1129.8177.2-59.80000109.8A878 I879 V880A878-T908 PolarHBondContact O-N 2.89Å; I879-T908 CarbonylContact C-O 3.59Å; I879-T908 VanDerWaalsContact CA-O 3.28Å; I879-T908 WeakPolarHBondContact CA-O 3.28Å; I879-T908 HydrophobicContact CG2-CG2 4.46Å; V880-T908 PolarHBondContact N-O 3.03Å
909T91.7Very high83.2Confident33 Ų3358.4 Ų58.420%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-111.2130.5175.256.20000109.8V880 I891 K892V880-T909 WeakPolarHBondContact O-CA 3.44Å; I891-T909 HydrophobicContact CG2-CG2 4.02Å; K892-T909 HydrophobicContact CB-CG2 4.38Å
910T89Confident82.2Confident20 Ų2056.7 Ų56.712%0.12329%0.286CS..EExtended strand (participates in β ladder)trans-148.2157.3-177.5-176.30000111.4I879 V880 I881 H882 D912 Y916I879-T910 HydrophobicContact CG2-CG2 3.78Å; V880-T910 PolarHBondContact O-N 3.18Å; I881-T910 VanDerWaalsContact CA-O 3.26Å; I881-T910 WeakPolarHBondContact CA-O 3.13Å; I881-T910 HydrophobicContact CB-CG2 4.37Å; I881-T910 HydrophobicContact CD1-CG2 3.95Å; I881-T910 HydrophobicContact CG1-CG2 3.64Å; I881-T910 HydrophobicContact CG2-CG2 4.35Å; H882-T910 PolarHBondContact N-O 2.95Å; T910-D912 PolarHBondContact OG1-N 3.45Å; T910-Y916 HydrophobicContact CG2-CD2 4.29Å; T910-Y916 HydrophobicContact CG2-CE2 3.8Å
911S84.1Confident81.4Confident80 Ų8056.7 Ų56.756%0.55928%0.281SS*.SBendtrans-99.1-11.5166.855.10000112.6H882 K913H882-S911 WeakPolarHBondContact O-CA 3.42Å; S911-K913 PolarHBondContact O-N 2.83Å
912D78.3Confident80.5Confident71 Ų7156.1 Ų56.138%0.3828%0.281SS..  trans-86.4103.6-175.3-174.9-7.8000111.5T910 H914 R915T910-D912 PolarHBondContact OG1-N 3.45Å; D912-H914 PolarHBondContact OD1-N 3.14Å; D912-R915 HydrophobicContact CB-CB 4.3Å; D912-R915 PolarHBondContact OD1-N 3.24Å; D912-R915 VanDerWaalsContact OD1-N 3.11Å
913K74.9Confident79.8Confident60 Ų6059.8 Ų59.826%0.26130%0.3SS..SBendtrans-70.7-36175.6-61.8179.6-173177.60112.4I881 S911 R915 Y916 V918 E953 Y977I881-K913 HydrophobicContact CG2-CG 3.96Å; S911-K913 PolarHBondContact O-N 2.83Å; K913-R915 VanDerWaalsContact C-N 3.33Å; K913-R915 PolarHBondContact O-N 3.46Å; K913-Y916 PolarHBondContact O-N 2.85Å; K913-V918 HydrophobicContact CB-CB 4.45Å; K913-V918 WeakPolarHBondContact O-CG2 3.49Å; K913-E953 IonicContact NZ-OE1 3.77Å; K913-Y977 HydrophobicContact CD-CE1 4.05Å; K913-Y977 PolarHBondContact NZ-OH 3.4Å; K913-Y977 VanDerWaalsContact NZ-OH 3.09Å
914H69.6Low79.3Confident157 Ų15758.8 Ų58.873%0.72730%0.295SS*.G310 helixtrans-69.9-34.3-171.8-66.1-70.5000111.8D912 Y916 G917D912-H914 PolarHBondContact OD1-N 3.14Å; H914-Y916 PolarHBondContact O-N 2.96Å; H914-G917 PolarHBondContact O-N 2.99Å; H914-G917 VanDerWaalsContact O-N 3.07Å
915R73Confident78.7Confident154 Ų15461.3 Ų61.358%0.58131%0.308SS*.G310 helixtrans-54-25.7177.4-177.4172.5178.3-178.8-0.3114.1D912 K913 I1017D912-R915 HydrophobicContact CB-CB 4.3Å; D912-R915 PolarHBondContact OD1-N 3.24Å; D912-R915 VanDerWaalsContact OD1-N 3.11Å; K913-R915 VanDerWaalsContact C-N 3.33Å; K913-R915 PolarHBondContact O-N 3.46Å; R915-I1017 WeakPolarHBondContact O-CD1 3.33Å
916Y69.9Low78.4Confident19 Ų1960.1 Ų60.18%0.07531%0.308CS..G310 helixtrans-111.414.3-177.3-62.9-86.1000113.5I879 I881 T910 K913 H914 V918 I1034I879-Y916 HydrophobicContact CB-CE1 4.47Å; I879-Y916 HydrophobicContact CD1-CD1 3.78Å; I879-Y916 HydrophobicContact CD1-CE1 3.58Å; I879-Y916 HydrophobicContact CG1-CD1 4.23Å; I879-Y916 HydrophobicContact CG1-CE1 3.67Å; I879-Y916 HydrophobicContact CG2-CD2 4.25Å; I879-Y916 HydrophobicContact CG2-CE1 4.24Å; I879-Y916 HydrophobicContact CG2-CE2 3.89Å; I881-Y916 HydrophobicContact CD1-CD2 4.1Å; T910-Y916 HydrophobicContact CG2-CD2 4.29Å; T910-Y916 HydrophobicContact CG2-CE2 3.8Å; K913-Y916 PolarHBondContact O-N 2.85Å; H914-Y916 PolarHBondContact O-N 2.96Å; Y916-V918 VanDerWaalsContact C-N 3.26Å; Y916-V918 PolarHBondContact O-N 3.11Å; Y916-I1034 HydrophobicContact CG-CD1 4.34Å
917G66Low77.5Confident35 Ų3565.3 Ų65.336%0.36132%0.324SS..THydrogen-bonded Turntrans66.226.6176.400000114H914 Q919H914-G917 PolarHBondContact O-N 2.99Å; H914-G917 VanDerWaalsContact O-N 3.07Å; G917-Q919 PolarHBondContact O-N 3.07Å
918V67.5Low76.9Confident12 Ų1267.7 Ų67.77%0.07334%0.34CS..EExtended strand (participates in β ladder)trans-75.3122.3-178.1-173.20000109.8I881 K913 Y916 Y977 T979 L1032 I1034I881-V918 HydrophobicContact CD1-CG2 4.31Å; K913-V918 HydrophobicContact CB-CB 4.45Å; K913-V918 WeakPolarHBondContact O-CG2 3.49Å; Y916-V918 VanDerWaalsContact C-N 3.26Å; Y916-V918 PolarHBondContact O-N 3.11Å; V918-Y977 HydrophobicContact CG1-CD1 3.47Å; V918-Y977 VanDerWaalsContact CG1-CD1 3.47Å; V918-Y977 HydrophobicContact CG1-CE1 4.45Å; V918-Y977 HydrophobicContact CG1-CG 4.09Å; V918-T979 HydrophobicContact CG2-CG2 4.17Å; V918-L1032 HydrophobicContact CB-CD2 4.39Å; V918-L1032 HydrophobicContact CG1-CD2 3.62Å; V918-L1032 HydrophobicContact CG2-CD2 4Å; V918-I1034 HydrophobicContact CG2-CD1 3.66Å
919Q69.3Low76.2Confident91 Ų9165.8 Ų65.843%0.42533%0.328SS..EExtended strand (participates in β ladder)trans-116.8151174.8-62.6-177.4-1.600110.3G917 Y977 S978G917-Q919 PolarHBondContact O-N 3.07Å; Q919-Y977 CarbonylContact O-C 3.57Å; Q919-S978 PolarHBondContact N-O 2.87Å; Q919-S978 PolarHBondContact O-N 3.35Å; Q919-S978 VanDerWaalsContact O-O 3.13Å; Q919-S978 PolarHBondContact O-OG 3.19Å
920L71.7Confident75.7Confident12 Ų1265.5 Ų65.56%0.06333%0.332CS..EExtended strand (participates in β ladder)trans-88.1143.5175.4-66.9169.7000110.6T949 L952 E953 I956 V975 Y977L920-T949 HydrophobicContact CB-CG2 4.02Å; L920-T949 HydrophobicContact CD1-CG2 3.82Å; L920-T949 HydrophobicContact CG-CG2 3.82Å; L920-L952 VanDerWaalsContact C-CD1 3.44Å; L920-L952 HydrophobicContact CB-CB 3.71Å; L920-L952 HydrophobicContact CB-CD1 3.68Å; L920-L952 HydrophobicContact CB-CG 4.31Å; L920-L952 HydrophobicContact CD1-CB 3.81Å; L920-L952 HydrophobicContact CG-CB 4.41Å; L920-L952 VanDerWaalsContact O-CD1 3.23Å; L920-L952 WeakPolarHBondContact O-CD1 3.33Å; L920-E953 HydrophobicContact CD1-CB 4.26Å; L920-E953 HydrophobicContact CD1-CG 3.29Å; L920-I956 HydrophobicContact CD1-CD1 4.08Å; L920-I956 HydrophobicContact CD2-CD1 4.1Å; L920-V975 HydrophobicContact CB-CG1 3.87Å; L920-V975 HydrophobicContact CD1-CG1 4.36Å; L920-V975 HydrophobicContact CD2-CG1 3.63Å; L920-V975 HydrophobicContact CG-CG1 4.17Å; L920-Y977 HydrophobicContact CD2-CD1 3.43Å; L920-Y977 VanDerWaalsContact CD2-CD1 3.43Å; L920-Y977 HydrophobicContact CD2-CD2 4.27Å; L920-Y977 HydrophobicContact CD2-CE1 3.3Å; L920-Y977 HydrophobicContact CD2-CE2 4.15Å; L920-Y977 HydrophobicContact CD2-CG 3.97Å; L920-Y977 HydrophobicContact CG-CD1 4.4Å; L920-Y977 HydrophobicContact CG-CE1 4.31Å
921R73.2Confident75.3Confident113 Ų11370 Ų7043%0.42636%0.359SS..EExtended strand (participates in β ladder)trans-130.2130.6174.2-169.5176.9-176.9161.12.8110.1V976R921-V976 PolarHBondContact N-O 3.49Å; R921-V976 PolarHBondContact O-N 2.95Å
922G73Confident75.4Confident11 Ų1172.2 Ų72.211%0.11336%0.355CS..EExtended strand (participates in β ladder)trans-80.7133.1173.100000112.4S974G922-S974 CarbonylContact C-O 3.57Å
923I75Confident75.5Confident79 Ų7969.2 Ų69.241%0.40534%0.339SS..EExtended strand (participates in β ladder)trans-117.4121.4170.3-59.6-173.5000108.7S974 V976I923-S974 WeakPolarHBondContact CB-OG 3.44Å; I923-S974 PolarHBondContact N-O 3.29Å; I923-S974 PolarHBondContact O-N 3.45Å; I923-S974 PolarHBondContact O-OG 3.08Å; I923-V976 HydrophobicContact CB-CG2 4.47Å; I923-V976 HydrophobicContact CD1-CB 4.27Å; I923-V976 HydrophobicContact CD1-CG2 3.34Å; I923-V976 HydrophobicContact CG1-CG2 3.78Å
924L81.3Confident76Confident12 Ų1274.1 Ų74.16%0.06336%0.36CS..EExtended strand (participates in β ladder)trans-89.2145-179-70.9163.8000111.9H926 L929 V940 V941 V944 L968 L973L924-H926 VanDerWaalsContact C-N 3.32Å; L924-H926 PolarHBondContact O-N 3.43Å; L924-L929 HydrophobicContact CB-CD1 3.94Å; L924-L929 HydrophobicContact CD2-CD1 3.38Å; L924-L929 HydrophobicContact CG-CD1 4.19Å; L924-V940 HydrophobicContact CD1-CG1 4.32Å; L924-V941 HydrophobicContact CD1-CB 4.32Å; L924-V941 HydrophobicContact CD1-CG2 3.83Å; L924-V944 HydrophobicContact CD1-CB 3.91Å; L924-V944 HydrophobicContact CD1-CG1 4.16Å; L924-V944 HydrophobicContact CD1-CG2 3.98Å; L924-V944 HydrophobicContact CD2-CG1 4.34Å; L924-V944 HydrophobicContact CD2-CG2 4.02Å; L924-V944 HydrophobicContact CG-CB 4.25Å; L924-V944 HydrophobicContact CG-CG1 3.98Å; L924-V944 HydrophobicContact CG-CG2 4.25Å; L924-L968 HydrophobicContact CD2-CD1 3.94Å; L924-L968 HydrophobicContact CD2-CD2 4.47Å; L924-L973 HydrophobicContact CD2-CB 4.35Å; L924-L973 HydrophobicContact CD2-CD1 3.89Å; L924-L973 HydrophobicContact CG-CD1 4.32Å
925N79.1Confident76.6Confident58 Ų5873.9 Ų73.931%0.3136%0.364SS..  trans-77.287.1166.9-170.4-21.2000110.4K927 T928 L929 D971 D972N925-K927 PolarHBondContact O-N 3.33Å; N925-K927 VanDerWaalsContact O-N 3.08Å; N925-K927 PolarHBondContact OD1-N 3.49Å; N925-T928 PolarHBondContact ND2-OG1 3.22Å; N925-T928 VanDerWaalsContact ND2-OG1 3.11Å; N925-T928 PolarHBondContact O-N 3.09Å; N925-T928 PolarHBondContact OD1-N 2.95Å; N925-T928 PolarHBondContact OD1-OG1 3.4Å; N925-L929 WeakPolarHBondContact O-CB 3.25Å; N925-L929 PolarHBondContact O-N 3.06Å; N925-D971 WeakPolarHBondContact CB-O 3.23Å; N925-D971 PolarHBondContact ND2-O 2.93Å; N925-D972 PolarHBondContact N-O 3.45Å
926H81.7Confident77Confident111 Ų11170.2 Ų70.251%0.51436%0.356SS..Hα-helixtrans-52.8-32.5-176.4-62.5-58.8000113.5L924 G930 Y937L924-H926 VanDerWaalsContact C-N 3.32Å; L924-H926 PolarHBondContact O-N 3.43Å; H926-G930 PolarHBondContact O-N 2.99Å; H926-Y937 WeakPolarHBondContact CA-OH 3.42Å; H926-Y937 VanDerWaalsContact CB-OH 3.27Å; H926-Y937 WeakPolarHBondContact CB-OH 3.31Å; H926-Y937 VanDerWaalsContact CG-OH 3.29Å; H926-Y937 AromaticContact ND1-CZ 3.86Å; H926-Y937 PolarHBondContact ND1-OH 2.96Å
927K74.9Confident77.7Confident185 Ų18571.7 Ų71.780%0.80436%0.362SS*.Hα-helixtrans-73.4-46.3-176.2-143.6178.5-171.4179.10111.6N925N925-K927 PolarHBondContact O-N 3.33Å; N925-K927 VanDerWaalsContact O-N 3.08Å; N925-K927 PolarHBondContact OD1-N 3.49Å
928T78.7Confident78.6Confident69 Ų6978 Ų7842%0.42338%0.379SS..Hα-helixtrans-73.7-46.2-178.9-41.50000110.9N925 R932N925-T928 PolarHBondContact ND2-OG1 3.22Å; N925-T928 VanDerWaalsContact ND2-OG1 3.11Å; N925-T928 PolarHBondContact O-N 3.09Å; N925-T928 PolarHBondContact OD1-N 2.95Å; N925-T928 PolarHBondContact OD1-OG1 3.4Å; T928-R932 PolarHBondContact O-N 3.48Å
929L79Confident79.5Confident0 Ų080 Ų800%039%0.394CS..Hα-helixtrans-74.9-30.7-175.4-75.8164.7000113.5L924 N925 V931 R932 L933 Y937 L968 D972L924-L929 HydrophobicContact CB-CD1 3.94Å; L924-L929 HydrophobicContact CD2-CD1 3.38Å; L924-L929 HydrophobicContact CG-CD1 4.19Å; N925-L929 WeakPolarHBondContact O-CB 3.25Å; N925-L929 PolarHBondContact O-N 3.06Å; L929-V931 VanDerWaalsContact C-N 3.3Å; L929-V931 PolarHBondContact O-N 3.34Å; L929-R932 PolarHBondContact O-N 3.13Å; L929-L933 HydrophobicContact CB-CD1 4.2Å; L929-L933 HydrophobicContact CD2-CD1 3.63Å; L929-L933 HydrophobicContact CD2-CG 4.16Å; L929-L933 HydrophobicContact CG-CD1 4.48Å; L929-L933 VanDerWaalsContact O-CB 3.31Å; L929-L933 WeakPolarHBondContact O-CB 3.42Å; L929-L933 PolarHBondContact O-N 2.9Å; L929-Y937 HydrophobicContact CB-CD2 4.14Å; L929-Y937 HydrophobicContact CB-CE2 3.97Å; L929-L968 HydrophobicContact CD1-CD2 4.14Å; L929-L968 HydrophobicContact CD2-CD2 3.54Å; L929-D972 HydrophobicContact CD1-CB 4.2Å; L929-D972 WeakPolarHBondContact CD1-O 3.29Å; L929-D972 HydrophobicContact CD2-CB 4.17Å; L929-D972 HydrophobicContact CG-CB 4.33Å
930G79.7Confident80.2Confident27 Ų2775.7 Ų75.728%0.27837%0.374SS..Hα-helixtrans-61.2-39.2176.400000112.5H926 K934H926-G930 PolarHBondContact O-N 2.99Å; G930-K934 PolarHBondContact O-N 3.38Å
931V81.6Confident80.8Confident114 Ų11476.8 Ų76.869%0.69138%0.381SS*.Hα-helixtrans-72.7-40.6177.6-179.30000111.4L929L929-V931 VanDerWaalsContact C-N 3.3Å; L929-V931 PolarHBondContact O-N 3.34Å
932R85.6Confident81.3Confident126 Ų12675.9 Ų75.948%0.47539%0.385SS..Hα-helixtrans-73.2-45.2-176.7-165.9173.280.8-157.91112.7T928 L929 E967 D972T928-R932 PolarHBondContact O-N 3.48Å; L929-R932 PolarHBondContact O-N 3.13Å; R932-E967 PolarHBondContact NH2-O 2.85Å; R932-D972 IonicContact CZ-OD1 3.86Å; R932-D972 IonicContact CZ-OD2 2.72Å; R932-D972 VanDerWaalsContact CZ-OD2 3.23Å; R932-D972 VanDerWaalsContact NH1-CG 3.34Å; R932-D972 IonicContact NH1-OD1 2.8Å; R932-D972 PolarHBondContact NH1-OD1 3.2Å; R932-D972 VanDerWaalsContact NH1-OD1 3.16Å; R932-D972 IonicContact NH1-OD2 2.72Å; R932-D972 PolarHBondContact NH1-OD2 3.3Å; R932-D972 IonicContact NH2-OD1 3.5Å; R932-D972 IonicContact NH2-OD2 3.83Å; R932-D972 PolarHBondContact NH2-OD2 3.31Å
933L81.4Confident81.8Confident9 Ų980.4 Ų80.45%0.04740%0.401CS..Hα-helixtrans-94.6-18.3-169.5-62.2175.9000114.1L929 N935 D936 Y937 V940 H966L929-L933 HydrophobicContact CB-CD1 4.2Å; L929-L933 HydrophobicContact CD2-CD1 3.63Å; L929-L933 HydrophobicContact CD2-CG 4.16Å; L929-L933 HydrophobicContact CG-CD1 4.48Å; L929-L933 VanDerWaalsContact O-CB 3.31Å; L929-L933 WeakPolarHBondContact O-CB 3.42Å; L929-L933 PolarHBondContact O-N 2.9Å; L933-N935 PolarHBondContact O-N 3.44Å; L933-D936 PolarHBondContact O-N 3.23Å; L933-Y937 HydrophobicContact CD1-CD2 4.48Å; L933-V940 HydrophobicContact CD1-CB 4.03Å; L933-V940 HydrophobicContact CD1-CG1 4.1Å; L933-V940 HydrophobicContact CD1-CG2 3.85Å; L933-H966 HydrophobicContact CD2-CB 3.8Å; L933-H966 VanDerWaalsContact CD2-ND1 3.28Å; L933-H966 WeakPolarHBondContact CD2-ND1 3.31Å
934K84.7Confident82.2Confident162 Ų16276.9 Ų76.970%0.70438%0.383SS*.THydrogen-bonded Turntrans43.2-100.9178.7-66.4-179.6178.2176.60113.2G930 Y937G930-K934 PolarHBondContact O-N 3.38Å; K934-Y937 VanDerWaalsContact O-CB 3.25Å; K934-Y937 WeakPolarHBondContact O-CB 3.37Å
935N81.6Confident82.1Confident152 Ų15283 Ų8381%0.81341%0.409SS*.THydrogen-bonded Turntrans-73.2-34.5-175.4-65.6-14.1000112.7L933 Y937L933-N935 PolarHBondContact O-N 3.44Å; N935-Y937 PolarHBondContact O-N 3.41Å
936D81.7Confident82.1Confident77 Ų7786.6 Ų86.641%0.41243%0.429SS..THydrogen-bonded Turntrans-78.8-9.9-178.8-68.7-19.1000112.8L933 K938 S939 V940 H966L933-D936 PolarHBondContact O-N 3.23Å; D936-K938 VanDerWaalsContact C-N 3.3Å; D936-K938 PolarHBondContact O-N 2.94Å; D936-S939 VanDerWaalsContact O-CB 3.24Å; D936-S939 WeakPolarHBondContact O-CB 3.49Å; D936-S939 PolarHBondContact O-N 2.87Å; D936-S939 PolarHBondContact O-OG 3.23Å; D936-V940 PolarHBondContact O-N 3.21Å; D936-V940 VanDerWaalsContact O-N 3.08Å; D936-H966 IonicContact OD2-CE1 3.53Å; D936-H966 IonicContact OD2-NE2 3.5Å; D936-H966 PolarHBondContact OD2-NE2 2.8Å
937Y86Confident82Confident51 Ų5182.3 Ų82.320%0.241%0.409CS..Hα-helixtrans-55.5-43.2-177.4175.4-109.1000112.7H926 L929 L933 K934 N935 S939 V940 V941H926-Y937 WeakPolarHBondContact CA-OH 3.42Å; H926-Y937 VanDerWaalsContact CB-OH 3.27Å; H926-Y937 WeakPolarHBondContact CB-OH 3.31Å; H926-Y937 VanDerWaalsContact CG-OH 3.29Å; H926-Y937 AromaticContact ND1-CZ 3.86Å; H926-Y937 PolarHBondContact ND1-OH 2.96Å; L929-Y937 HydrophobicContact CB-CD2 4.14Å; L929-Y937 HydrophobicContact CB-CE2 3.97Å; L933-Y937 HydrophobicContact CD1-CD2 4.48Å; K934-Y937 VanDerWaalsContact O-CB 3.25Å; K934-Y937 WeakPolarHBondContact O-CB 3.37Å; N935-Y937 PolarHBondContact O-N 3.41Å; Y937-S939 VanDerWaalsContact C-N 3.28Å; Y937-S939 PolarHBondContact O-N 2.9Å; Y937-V940 PolarHBondContact O-N 3.34Å; Y937-V941 HydrophobicContact CD1-CG2 4.28Å; Y937-V941 HydrophobicContact CD2-CG2 4.2Å; Y937-V941 HydrophobicContact CE1-CG2 3.88Å; Y937-V941 HydrophobicContact CE2-CG2 3.78Å; Y937-V941 HydrophobicContact CG-CG2 4.44Å; Y937-V941 VanDerWaalsContact O-CG2 3.31Å; Y937-V941 WeakPolarHBondContact O-CG2 3.32Å; Y937-V941 PolarHBondContact O-N 3.38Å
938K84.5Confident82Confident166 Ų16675.7 Ų75.772%0.72239%0.386SS*.Hα-helixtrans-61.8-38.7178.9-117.8-179.9-178.7178.90111.8D936 V941 N942D936-K938 VanDerWaalsContact C-N 3.3Å; D936-K938 PolarHBondContact O-N 2.94Å; K938-V941 PolarHBondContact O-N 3.4Å; K938-N942 PolarHBondContact O-N 2.98Å; K938-N942 VanDerWaalsContact O-N 3.08Å
939S85Confident81.7Confident56 Ų5674.2 Ų74.239%0.39238%0.377SS..Hα-helixtrans-63.9-46.5177.9-33.40000110.8D936 Y937 N942 K943D936-S939 VanDerWaalsContact O-CB 3.24Å; D936-S939 WeakPolarHBondContact O-CB 3.49Å; D936-S939 PolarHBondContact O-N 2.87Å; D936-S939 PolarHBondContact O-OG 3.23Å; Y937-S939 VanDerWaalsContact C-N 3.28Å; Y937-S939 PolarHBondContact O-N 2.9Å; S939-N942 PolarHBondContact O-N 3.07Å; S939-K943 WeakPolarHBondContact O-CB 3.37Å; S939-K943 PolarHBondContact O-N 2.93Å
940V85.1Confident81.4Confident0 Ų080.7 Ų80.70%041%0.408CS..Hα-helixtrans-65.6-42.6177.5175.30000111.1L924 L933 D936 Y937 N942 K943 V944 V963 C964 L968L924-V940 HydrophobicContact CD1-CG1 4.32Å; L933-V940 HydrophobicContact CD1-CB 4.03Å; L933-V940 HydrophobicContact CD1-CG1 4.1Å; L933-V940 HydrophobicContact CD1-CG2 3.85Å; D936-V940 PolarHBondContact O-N 3.21Å; D936-V940 VanDerWaalsContact O-N 3.08Å; Y937-V940 PolarHBondContact O-N 3.34Å; V940-N942 PolarHBondContact O-N 3.08Å; V940-K943 PolarHBondContact O-N 2.74Å; V940-V944 HydrophobicContact CG1-CG2 4.21Å; V940-V944 WeakPolarHBondContact O-CB 3.38Å; V940-V944 VanDerWaalsContact O-CG2 3.29Å; V940-V944 WeakPolarHBondContact O-CG2 3.1Å; V940-V944 PolarHBondContact O-N 3.38Å; V940-V963 HydrophobicContact CG1-CB 4.49Å; V940-V963 HydrophobicContact CG1-CG1 4.26Å; V940-C964 HydrophobicContact CG2-CB 4.07Å; V940-L968 HydrophobicContact CG1-CD1 4.19Å; V940-L968 HydrophobicContact CG1-CD2 4.32Å
941V85Confident81.4Confident35 Ų3582.7 Ų82.721%0.21241%0.409CS..Hα-helixtrans-58.9-46.9176.9168.80000111.9L924 Y937 K938 K945L924-V941 HydrophobicContact CD1-CB 4.32Å; L924-V941 HydrophobicContact CD1-CG2 3.83Å; Y937-V941 HydrophobicContact CD1-CG2 4.28Å; Y937-V941 HydrophobicContact CD2-CG2 4.2Å; Y937-V941 HydrophobicContact CE1-CG2 3.88Å; Y937-V941 HydrophobicContact CE2-CG2 3.78Å; Y937-V941 HydrophobicContact CG-CG2 4.44Å; Y937-V941 VanDerWaalsContact O-CG2 3.31Å; Y937-V941 WeakPolarHBondContact O-CG2 3.32Å; Y937-V941 PolarHBondContact O-N 3.38Å; K938-V941 PolarHBondContact O-N 3.4Å; V941-K945 WeakPolarHBondContact O-CB 3.46Å; V941-K945 PolarHBondContact O-N 2.88Å; V941-K945 VanDerWaalsContact O-N 3.14Å
942N83.3Confident81.2Confident94 Ų9477.3 Ų77.350%0.50338%0.377SS..Hα-helixtrans-65.2-44.2178.8-73.9-15000111.3K938 S939 V940 V944 K945 D946K938-N942 PolarHBondContact O-N 2.98Å; K938-N942 VanDerWaalsContact O-N 3.08Å; S939-N942 PolarHBondContact O-N 3.07Å; V940-N942 PolarHBondContact O-N 3.08Å; N942-V944 PolarHBondContact O-N 2.96Å; N942-K945 VanDerWaalsContact O-CB 3.31Å; N942-K945 WeakPolarHBondContact O-CB 3.27Å; N942-K945 PolarHBondContact O-N 3.27Å; N942-K945 VanDerWaalsContact O-N 3.14Å; N942-D946 PolarHBondContact O-N 2.91Å
943K84Confident80.6Confident105 Ų10575.2 Ų75.246%0.45737%0.372SS..Hα-helixtrans-64.7-39.9-178.8-169.864.4178.11720112.6S939 V940 K945 D946 M947 V963S939-K943 WeakPolarHBondContact O-CB 3.37Å; S939-K943 PolarHBondContact O-N 2.93Å; V940-K943 PolarHBondContact O-N 2.74Å; K943-K945 VanDerWaalsContact C-N 3.28Å; K943-K945 PolarHBondContact O-N 3.49Å; K943-D946 PolarHBondContact O-N 2.8Å; K943-M947 WeakPolarHBondContact O-CG 3.41Å; K943-M947 PolarHBondContact O-N 3.4Å; K943-M947 VanDerWaalsContact O-N 3.14Å; K943-V963 HydrophobicContact CB-CG1 3.69Å; K943-V963 HydrophobicContact CG-CG1 3.56Å
944V81.9Confident80.4Confident5 Ų580.1 Ų80.13%0.0340%0.395CS..Hα-helixtrans-67.9-29.6175.5173.60000112L924 V940 N942 D946 M947 V963 L968 L973L924-V944 HydrophobicContact CD1-CB 3.91Å; L924-V944 HydrophobicContact CD1-CG1 4.16Å; L924-V944 HydrophobicContact CD1-CG2 3.98Å; L924-V944 HydrophobicContact CD2-CG1 4.34Å; L924-V944 HydrophobicContact CD2-CG2 4.02Å; L924-V944 HydrophobicContact CG-CB 4.25Å; L924-V944 HydrophobicContact CG-CG1 3.98Å; L924-V944 HydrophobicContact CG-CG2 4.25Å; V940-V944 HydrophobicContact CG1-CG2 4.21Å; V940-V944 WeakPolarHBondContact O-CB 3.38Å; V940-V944 VanDerWaalsContact O-CG2 3.29Å; V940-V944 WeakPolarHBondContact O-CG2 3.1Å; V940-V944 PolarHBondContact O-N 3.38Å; N942-V944 PolarHBondContact O-N 2.96Å; V944-D946 VanDerWaalsContact C-N 3.32Å; V944-M947 HydrophobicContact CB-SD 4.36Å; V944-M947 HydrophobicContact CG2-SD 4.03Å; V944-V963 HydrophobicContact CG2-CG1 4.07Å; V944-V963 HydrophobicContact CG2-CG2 4.28Å; V944-L968 HydrophobicContact CG2-CD1 4.01Å; V944-L973 HydrophobicContact CG1-CD1 3.59Å
945K79Confident80.1Confident140 Ų14073.1 Ų73.161%0.60937%0.365SS*.Hα-helixtrans-67.4-34.3175.1-129.3-178.9-177.9-177.60112.8V941 N942 K943V941-K945 WeakPolarHBondContact O-CB 3.46Å; V941-K945 PolarHBondContact O-N 2.88Å; V941-K945 VanDerWaalsContact O-N 3.14Å; N942-K945 VanDerWaalsContact O-CB 3.31Å; N942-K945 WeakPolarHBondContact O-CB 3.27Å; N942-K945 PolarHBondContact O-N 3.27Å; N942-K945 VanDerWaalsContact O-N 3.14Å; K943-K945 VanDerWaalsContact C-N 3.28Å; K943-K945 PolarHBondContact O-N 3.49Å
946D78.8Confident79.7Confident135 Ų13570.1 Ų70.172%0.72235%0.348SS*.THydrogen-bonded Turntrans-987-177.6-64.1-24.5000113N942 K943 V944N942-D946 PolarHBondContact O-N 2.91Å; K943-D946 PolarHBondContact O-N 2.8Å; V944-D946 VanDerWaalsContact C-N 3.32Å
947M79.8Confident79.2Confident20 Ų2071 Ų7110%0.09936%0.36CS..  trans-66139.9-179.4-99.1167.542.600111.8K943 V944 E951 L952 L961 V963 L973K943-M947 WeakPolarHBondContact O-CG 3.41Å; K943-M947 PolarHBondContact O-N 3.4Å; K943-M947 VanDerWaalsContact O-N 3.14Å; V944-M947 HydrophobicContact CB-SD 4.36Å; V944-M947 HydrophobicContact CG2-SD 4.03Å; M947-E951 HydrophobicContact CE-CB 4.4Å; M947-E951 HydrophobicContact CG-CB 4.32Å; M947-L952 HydrophobicContact CB-CD1 4.43Å; M947-L952 HydrophobicContact CB-CG 4.33Å; M947-L952 HydrophobicContact CE-CD1 4.39Å; M947-L952 HydrophobicContact CE-CD2 3.15Å; M947-L952 HydrophobicContact CE-CG 3.42Å; M947-L952 VanDerWaalsContact CE-CG 3.42Å; M947-L961 HydrophobicContact CE-CD2 3.34Å; M947-L961 HydrophobicContact SD-CD2 3.54Å; M947-L961 VanDerWaalsContact SD-CD2 3.54Å; M947-V963 HydrophobicContact SD-CG2 3.99Å; M947-L973 HydrophobicContact CE-CD2 4.36Å
948S76.5Confident78.9Confident46 Ų4672.1 Ų72.132%0.32237%0.372SS..  trans-70.4162.117660.30000112E950 E951 L952S948-E950 VanDerWaalsContact C-N 3.28Å; S948-E950 PolarHBondContact O-N 3Å; S948-E951 PolarHBondContact N-OE2 3.18Å; S948-E951 PolarHBondContact O-N 3.43Å; S948-E951 VanDerWaalsContact OG-CD 3.28Å; S948-E951 VanDerWaalsContact OG-CG 3.22Å; S948-E951 WeakPolarHBondContact OG-CG 3.27Å; S948-E951 PolarHBondContact OG-N 2.9Å; S948-E951 PolarHBondContact OG-OE2 2.87Å; S948-L952 PolarHBondContact O-N 3.44Å
949T72.3Confident78.5Confident38 Ų3865.9 Ų65.923%0.23336%0.355CS..Hα-helixtrans-65-37.1177.4-53.50000110.1L920 L952 E953L920-T949 HydrophobicContact CB-CG2 4.02Å; L920-T949 HydrophobicContact CD1-CG2 3.82Å; L920-T949 HydrophobicContact CG-CG2 3.82Å; T949-L952 PolarHBondContact O-N 2.98Å; T949-E953 WeakPolarHBondContact O-CG 3.47Å; T949-E953 PolarHBondContact O-N 2.68Å
950E72.9Confident78.4Confident137 Ų13770.9 Ų70.964%0.6437%0.365SS*.Hα-helixtrans-62.6-42.8177-66.482.2-176.500113S948 L952 E953 Q954S948-E950 VanDerWaalsContact C-N 3.28Å; S948-E950 PolarHBondContact O-N 3Å; E950-L952 VanDerWaalsContact C-N 3.31Å; E950-L952 PolarHBondContact O-N 3.01Å; E950-E953 PolarHBondContact O-N 3.02Å; E950-Q954 PolarHBondContact O-N 3Å
951E77.8Confident78.4Confident68 Ų6871.8 Ų71.832%0.31837%0.37SS..Hα-helixtrans-63.8-37.3177.1-74.4166.3137.200111.8M947 S948 Q954 F955M947-E951 HydrophobicContact CE-CB 4.4Å; M947-E951 HydrophobicContact CG-CB 4.32Å; S948-E951 PolarHBondContact N-OE2 3.18Å; S948-E951 PolarHBondContact O-N 3.43Å; S948-E951 VanDerWaalsContact OG-CD 3.28Å; S948-E951 VanDerWaalsContact OG-CG 3.22Å; S948-E951 WeakPolarHBondContact OG-CG 3.27Å; S948-E951 PolarHBondContact OG-N 2.9Å; S948-E951 PolarHBondContact OG-OE2 2.87Å; E951-Q954 WeakPolarHBondContact O-CB 3.22Å; E951-Q954 PolarHBondContact O-N 3.1Å; E951-F955 PolarHBondContact O-N 2.89Å; E951-F955 VanDerWaalsContact O-N 3.13Å
952L77.5Confident78.5Confident1 Ų174.8 Ų74.81%0.00539%0.388CS..Hα-helixtrans-73.5-36.6177.2-75.2165.8000112.4L920 M947 S948 T949 E950 Q954 F955 I956 V975L920-L952 VanDerWaalsContact C-CD1 3.44Å; L920-L952 HydrophobicContact CB-CB 3.71Å; L920-L952 HydrophobicContact CB-CD1 3.68Å; L920-L952 HydrophobicContact CB-CG 4.31Å; L920-L952 HydrophobicContact CD1-CB 3.81Å; L920-L952 HydrophobicContact CG-CB 4.41Å; L920-L952 VanDerWaalsContact O-CD1 3.23Å; L920-L952 WeakPolarHBondContact O-CD1 3.33Å; M947-L952 HydrophobicContact CB-CD1 4.43Å; M947-L952 HydrophobicContact CB-CG 4.33Å; M947-L952 HydrophobicContact CE-CD1 4.39Å; M947-L952 HydrophobicContact CE-CD2 3.15Å; M947-L952 HydrophobicContact CE-CG 3.42Å; M947-L952 VanDerWaalsContact CE-CG 3.42Å; S948-L952 PolarHBondContact O-N 3.44Å; T949-L952 PolarHBondContact O-N 2.98Å; E950-L952 VanDerWaalsContact C-N 3.31Å; E950-L952 PolarHBondContact O-N 3.01Å; L952-Q954 VanDerWaalsContact C-N 3.28Å; L952-F955 PolarHBondContact O-N 2.86Å; L952-I956 WeakPolarHBondContact O-CG1 3.5Å; L952-I956 PolarHBondContact O-N 3.41Å; L952-V975 HydrophobicContact CB-CG1 4.12Å; L952-V975 HydrophobicContact CD2-CG1 4.04Å; L952-V975 HydrophobicContact CD2-CG2 3.81Å; L952-V975 HydrophobicContact CG-CG1 4.49Å
953E74.4Confident78.4Confident82 Ų8270.6 Ų70.638%0.38337%0.366SS..Hα-helixtrans-63.6-37.5170.5-74.6-167.8147.700111.3K913 L920 T949 E950 F955 I956 S957K913-E953 IonicContact NZ-OE1 3.77Å; L920-E953 HydrophobicContact CD1-CB 4.26Å; L920-E953 HydrophobicContact CD1-CG 3.29Å; T949-E953 WeakPolarHBondContact O-CG 3.47Å; T949-E953 PolarHBondContact O-N 2.68Å; E950-E953 PolarHBondContact O-N 3.02Å; E953-F955 PolarHBondContact O-N 3.12Å; E953-I956 PolarHBondContact O-N 2.64Å; E953-S957 PolarHBondContact O-N 3.37Å
954Q76Confident78.4Confident112 Ų11268.9 Ų68.952%0.52337%0.366SS..Hα-helixtrans-60.7-46.7175.1-162.2174.913.400110.8E950 E951 L952 I956 S957 T958E950-Q954 PolarHBondContact O-N 3Å; E951-Q954 WeakPolarHBondContact O-CB 3.22Å; E951-Q954 PolarHBondContact O-N 3.1Å; L952-Q954 VanDerWaalsContact C-N 3.28Å; Q954-I956 VanDerWaalsContact C-N 3.34Å; Q954-I956 PolarHBondContact O-N 2.98Å; Q954-S957 PolarHBondContact O-N 2.89Å; Q954-S957 VanDerWaalsContact O-N 3.1Å; Q954-S957 PolarHBondContact O-OG 3.13Å; Q954-T958 HydrophobicContact CG-CG2 4.34Å; Q954-T958 PolarHBondContact O-N 3.41Å; Q954-T958 PolarHBondContact O-OG1 3.43Å
955F79.5Confident78.4Confident16 Ų1671.9 Ų71.97%0.0740%0.398CS..Hα-helixtrans-59.2-41.1174.4178-103.8000113E951 L952 E953 S957 G959 L961 L973 V975E951-F955 PolarHBondContact O-N 2.89Å; E951-F955 VanDerWaalsContact O-N 3.13Å; L952-F955 PolarHBondContact O-N 2.86Å; E953-F955 PolarHBondContact O-N 3.12Å; F955-S957 VanDerWaalsContact C-N 3.28Å; F955-S957 PolarHBondContact O-N 3.03Å; F955-G959 VanDerWaalsContact O-CA 3.24Å; F955-G959 WeakPolarHBondContact O-CA 3.47Å; F955-G959 PolarHBondContact O-N 3.45Å; F955-L961 HydrophobicContact CB-CB 4.08Å; F955-L961 HydrophobicContact CB-CD1 4.4Å; F955-L961 HydrophobicContact CB-CD2 4.41Å; F955-L961 HydrophobicContact CD2-CB 3.63Å; F955-L961 HydrophobicContact CG-CB 4.24Å; F955-L973 HydrophobicContact CD1-CD2 3.86Å; F955-L973 HydrophobicContact CD1-CG 4.22Å; F955-L973 HydrophobicContact CD2-CD2 4.05Å; F955-L973 HydrophobicContact CE1-CB 4.04Å; F955-L973 HydrophobicContact CE1-CD2 4.01Å; F955-L973 HydrophobicContact CE1-CG 3.94Å; F955-L973 WeakPolarHBondContact CE1-O 3.26Å; F955-L973 HydrophobicContact CE2-CB 4.27Å; F955-L973 HydrophobicContact CE2-CD2 4.18Å; F955-L973 HydrophobicContact CG-CD2 3.86Å; F955-L973 HydrophobicContact CZ-CB 3.77Å; F955-L973 HydrophobicContact CZ-CD2 4.16Å; F955-L973 HydrophobicContact CZ-CG 4.15Å; F955-L973 VanDerWaalsContact CZ-O 3.22Å; F955-L973 WeakPolarHBondContact CZ-O 3.48Å; F955-V975 HydrophobicContact CD1-CG2 3.59Å; F955-V975 HydrophobicContact CE1-CG2 4.11Å
956I72.4Confident78.7Confident89 Ų8967.9 Ų67.946%0.45638%0.382SS..Hα-helixtrans-61-39.6175.4-68.3168.7000110.7L920 L952 E953 Q954 V975L920-I956 HydrophobicContact CD1-CD1 4.08Å; L920-I956 HydrophobicContact CD2-CD1 4.1Å; L952-I956 WeakPolarHBondContact O-CG1 3.5Å; L952-I956 PolarHBondContact O-N 3.41Å; E953-I956 PolarHBondContact O-N 2.64Å; Q954-I956 VanDerWaalsContact C-N 3.34Å; Q954-I956 PolarHBondContact O-N 2.98Å; I956-V975 HydrophobicContact CD1-CB 4.05Å; I956-V975 HydrophobicContact CD1-CG1 3.94Å; I956-V975 HydrophobicContact CD1-CG2 4.4Å; I956-V975 HydrophobicContact CG1-CB 4.14Å; I956-V975 HydrophobicContact CG1-CG1 4.46Å; I956-V975 HydrophobicContact CG1-CG2 4.02Å
957S72.3Confident79.1Confident94 Ų9466 Ų6666%0.65737%0.368SS*.Hα-helixtrans-76.2-36.5-178.673.50000114.2E953 Q954 F955E953-S957 PolarHBondContact O-N 3.37Å; Q954-S957 PolarHBondContact O-N 2.89Å; Q954-S957 VanDerWaalsContact O-N 3.1Å; Q954-S957 PolarHBondContact O-OG 3.13Å; F955-S957 VanDerWaalsContact C-N 3.28Å; F955-S957 PolarHBondContact O-N 3.03Å
958T78.6Confident79.3Confident75 Ų7565 Ų6546%0.4636%0.364SS..Hα-helixtrans-100.4-19.1-173.860.30000113.5Q954 R960Q954-T958 HydrophobicContact CG-CG2 4.34Å; Q954-T958 PolarHBondContact O-N 3.41Å; Q954-T958 PolarHBondContact O-OG1 3.43Å; T958-R960 PolarHBondContact O-N 3.35Å; T958-R960 PolarHBondContact OG1-N 3.44Å; T958-R960 PolarHBondContact OG1-O 3.36Å
959G77.3Confident79.6Confident35 Ų3565 Ų6536%0.36136%0.364SS..SBendtrans69.15.4-171.800000114.6F955F955-G959 VanDerWaalsContact O-CA 3.24Å; F955-G959 WeakPolarHBondContact O-CA 3.47Å; F955-G959 PolarHBondContact O-N 3.45Å
960R82.3Confident79.8Confident162 Ų16265.9 Ų65.961%0.61138%0.38SS*.EExtended strand (participates in β ladder)trans-146134.1-173.1-47.6-175.2-162.2-164.24.8110.9T958 E967 L968T958-R960 PolarHBondContact O-N 3.35Å; T958-R960 PolarHBondContact OG1-N 3.44Å; T958-R960 PolarHBondContact OG1-O 3.36Å; R960-E967 WeakPolarHBondContact CD-OE1 3.28Å; R960-E967 IonicContact NH1-OE1 3.41Å; R960-L968 WeakPolarHBondContact CA-O 3.38Å
961L85.1Confident79.8Confident19 Ų1966 Ų6610%0.09939%0.385CS..EExtended strand (participates in β ladder)trans-142.3131.4177.2-164.779.1000110.1M947 F955 V963 L968 L973M947-L961 HydrophobicContact CE-CD2 3.34Å; M947-L961 HydrophobicContact SD-CD2 3.54Å; M947-L961 VanDerWaalsContact SD-CD2 3.54Å; F955-L961 HydrophobicContact CB-CB 4.08Å; F955-L961 HydrophobicContact CB-CD1 4.4Å; F955-L961 HydrophobicContact CB-CD2 4.41Å; F955-L961 HydrophobicContact CD2-CB 3.63Å; F955-L961 HydrophobicContact CG-CB 4.24Å; L961-V963 HydrophobicContact CD2-CG2 3.74Å; L961-V963 HydrophobicContact CG-CG2 4.14Å; L961-L968 PolarHBondContact N-O 3.06Å; L961-L968 WeakPolarHBondContact O-CB 3.46Å; L961-L968 PolarHBondContact O-N 2.99Å; L961-L973 HydrophobicContact CD2-CD2 4.34Å
962V86.1Confident79.9Confident98 Ų9863.2 Ų63.259%0.59437%0.372SS*.EExtended strand (participates in β ladder)trans-91.9117.1175.4-179.90000108.9H966 E967V962-H966 CarbonylContact C-O 3.57Å; V962-H966 WeakPolarHBondContact CA-O 3.46Å; V962-E967 HydrophobicContact CG2-CB 4.39Å
963V82.6Confident79.9Confident6 Ų663.3 Ų63.34%0.03637%0.373CS..EExtended strand (participates in β ladder)trans-120.8123.2179.4-175.40000109.4V940 K943 V944 M947 L961 G965 H966 L968V940-V963 HydrophobicContact CG1-CB 4.49Å; V940-V963 HydrophobicContact CG1-CG1 4.26Å; K943-V963 HydrophobicContact CB-CG1 3.69Å; K943-V963 HydrophobicContact CG-CG1 3.56Å; V944-V963 HydrophobicContact CG2-CG1 4.07Å; V944-V963 HydrophobicContact CG2-CG2 4.28Å; M947-V963 HydrophobicContact SD-CG2 3.99Å; L961-V963 HydrophobicContact CD2-CG2 3.74Å; L961-V963 HydrophobicContact CG-CG2 4.14Å; V963-G965 PolarHBondContact O-N 3.3Å; V963-H966 PolarHBondContact N-O 2.79Å; V963-H966 PolarHBondContact O-N 3.27Å; V963-L968 HydrophobicContact CB-CD1 3.93Å; V963-L968 HydrophobicContact CB-CG 4.48Å; V963-L968 HydrophobicContact CG2-CD1 3.6Å; V963-L968 HydrophobicContact CG2-CG 4.36Å
964C83.2Confident79.8Confident69 Ų6962.3 Ų62.347%0.46638%0.375SS..THydrogen-bonded Turntrans52.236.3-177.1-59.40000113.8V940 H966V940-C964 HydrophobicContact CG2-CB 4.07Å; C964-H966 VanDerWaalsContact C-N 3.3Å; C964-H966 PolarHBondContact O-CD2 3.38Å; C964-H966 PolarHBondContact O-N 2.86Å
965G82.1Confident79.6Confident68 Ų6858.4 Ų58.470%0.70136%0.359SS*.THydrogen-bonded Turntrans82.8-1.1-178.600000115.2V963V963-G965 PolarHBondContact O-N 3.3Å
966H84.9Confident79Confident55 Ų5559.8 Ų59.826%0.25537%0.368SS..EExtended strand (participates in β ladder)trans-108.6128.2179.2-64.8-80.5000111L933 D936 V962 V963 C964 L968L933-H966 HydrophobicContact CD2-CB 3.8Å; L933-H966 VanDerWaalsContact CD2-ND1 3.28Å; L933-H966 WeakPolarHBondContact CD2-ND1 3.31Å; D936-H966 IonicContact OD2-CE1 3.53Å; D936-H966 IonicContact OD2-NE2 3.5Å; D936-H966 PolarHBondContact OD2-NE2 2.8Å; V962-H966 CarbonylContact C-O 3.57Å; V962-H966 WeakPolarHBondContact CA-O 3.46Å; V963-H966 PolarHBondContact N-O 2.79Å; V963-H966 PolarHBondContact O-N 3.27Å; C964-H966 VanDerWaalsContact C-N 3.3Å; C964-H966 PolarHBondContact O-CD2 3.38Å; C964-H966 PolarHBondContact O-N 2.86Å; H966-L968 PolarHBondContact O-N 2.78Å
967E87.2Confident78.9Confident95 Ų9556.7 Ų56.744%0.44435%0.351SS..EExtended strand (participates in β ladder)trans-73123.5174.1-170.5177159.700110R932 R960 V962R932-E967 PolarHBondContact NH2-O 2.85Å; R960-E967 WeakPolarHBondContact CD-OE1 3.28Å; R960-E967 IonicContact NH1-OE1 3.41Å; V962-E967 HydrophobicContact CG2-CB 4.39Å
968L84.3Confident78.6Confident0 Ų053.7 Ų53.70%033%0.33CS..EExtended strand (participates in β ladder)trans-101.4124.7169.4-57.9177.6000107.8L924 L929 V940 V944 R960 L961 V963 H966 D972 L973L924-L968 HydrophobicContact CD2-CD1 3.94Å; L924-L968 HydrophobicContact CD2-CD2 4.47Å; L929-L968 HydrophobicContact CD1-CD2 4.14Å; L929-L968 HydrophobicContact CD2-CD2 3.54Å; V940-L968 HydrophobicContact CG1-CD1 4.19Å; V940-L968 HydrophobicContact CG1-CD2 4.32Å; V944-L968 HydrophobicContact CG2-CD1 4.01Å; R960-L968 WeakPolarHBondContact CA-O 3.38Å; L961-L968 PolarHBondContact N-O 3.06Å; L961-L968 WeakPolarHBondContact O-CB 3.46Å; L961-L968 PolarHBondContact O-N 2.99Å; V963-L968 HydrophobicContact CB-CD1 3.93Å; V963-L968 HydrophobicContact CB-CG 4.48Å; V963-L968 HydrophobicContact CG2-CD1 3.6Å; V963-L968 HydrophobicContact CG2-CG 4.36Å; H966-L968 PolarHBondContact O-N 2.78Å; L968-D972 HydrophobicContact CB-CB 4.18Å; L968-D972 HydrophobicContact CD2-CB 4.12Å; L968-L973 HydrophobicContact CB-CB 4.27Å; L968-L973 HydrophobicContact CD1-CB 4.34Å; L968-L973 HydrophobicContact CD1-CD2 4.28Å
969S82.8Confident77.7Confident46 Ų4651.2 Ų51.232%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-148.3159.6178.3670000111.8D971 D972S969-D971 PolarHBondContact O-N 3.46Å; S969-D972 PolarHBondContact N-OD2 3.04Å; S969-D972 WeakPolarHBondContact O-CB 3.43Å; S969-D972 VanDerWaalsContact O-CG 3.28Å; S969-D972 PolarHBondContact O-N 3.14Å; S969-D972 VanDerWaalsContact O-N 3.14Å
970G77.1Confident76.4Confident56 Ų5650.5 Ų50.558%0.57731%0.307SS*.G310 helixtrans57-121.9178.700000112.1D972G970-D972 PolarHBondContact O-N 3.14Å
971D72.7Confident74.1Confident139 Ų13948.8 Ų48.874%0.74332%0.315SS*.G310 helixtrans-78.91-176.4-64.4-19.2000114.3N925 S969N925-D971 WeakPolarHBondContact CB-O 3.23Å; N925-D971 PolarHBondContact ND2-O 2.93Å; S969-D971 PolarHBondContact O-N 3.46Å
972D79.5Confident71.4Confident10 Ų1052.1 Ų52.15%0.05334%0.34CS..G310 helixtrans-67.5-43.3179.9-72.2-27.5000112N925 L929 R932 L968 S969 G970N925-D972 PolarHBondContact N-O 3.45Å; L929-D972 HydrophobicContact CD1-CB 4.2Å; L929-D972 WeakPolarHBondContact CD1-O 3.29Å; L929-D972 HydrophobicContact CD2-CB 4.17Å; L929-D972 HydrophobicContact CG-CB 4.33Å; R932-D972 IonicContact CZ-OD1 3.86Å; R932-D972 IonicContact CZ-OD2 2.72Å; R932-D972 VanDerWaalsContact CZ-OD2 3.23Å; R932-D972 VanDerWaalsContact NH1-CG 3.34Å; R932-D972 IonicContact NH1-OD1 2.8Å; R932-D972 PolarHBondContact NH1-OD1 3.2Å; R932-D972 VanDerWaalsContact NH1-OD1 3.16Å; R932-D972 IonicContact NH1-OD2 2.72Å; R932-D972 PolarHBondContact NH1-OD2 3.3Å; R932-D972 IonicContact NH2-OD1 3.5Å; R932-D972 IonicContact NH2-OD2 3.83Å; R932-D972 PolarHBondContact NH2-OD2 3.31Å; L968-D972 HydrophobicContact CB-CB 4.18Å; L968-D972 HydrophobicContact CD2-CB 4.12Å; S969-D972 PolarHBondContact N-OD2 3.04Å; S969-D972 WeakPolarHBondContact O-CB 3.43Å; S969-D972 VanDerWaalsContact O-CG 3.28Å; S969-D972 PolarHBondContact O-N 3.14Å; S969-D972 VanDerWaalsContact O-N 3.14Å; G970-D972 PolarHBondContact O-N 3.14Å
973L77.1Confident68.5Low4 Ų452.1 Ų52.12%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-132.1128.7-175.1176.668.3000109.2L924 V944 M947 F955 L961 L968L924-L973 HydrophobicContact CD2-CB 4.35Å; L924-L973 HydrophobicContact CD2-CD1 3.89Å; L924-L973 HydrophobicContact CG-CD1 4.32Å; V944-L973 HydrophobicContact CG1-CD1 3.59Å; M947-L973 HydrophobicContact CE-CD2 4.36Å; F955-L973 HydrophobicContact CD1-CD2 3.86Å; F955-L973 HydrophobicContact CD1-CG 4.22Å; F955-L973 HydrophobicContact CD2-CD2 4.05Å; F955-L973 HydrophobicContact CE1-CB 4.04Å; F955-L973 HydrophobicContact CE1-CD2 4.01Å; F955-L973 HydrophobicContact CE1-CG 3.94Å; F955-L973 WeakPolarHBondContact CE1-O 3.26Å; F955-L973 HydrophobicContact CE2-CB 4.27Å; F955-L973 HydrophobicContact CE2-CD2 4.18Å; F955-L973 HydrophobicContact CG-CD2 3.86Å; F955-L973 HydrophobicContact CZ-CB 3.77Å; F955-L973 HydrophobicContact CZ-CD2 4.16Å; F955-L973 HydrophobicContact CZ-CG 4.15Å; F955-L973 VanDerWaalsContact CZ-O 3.22Å; F955-L973 WeakPolarHBondContact CZ-O 3.48Å; L961-L973 HydrophobicContact CD2-CD2 4.34Å; L968-L973 HydrophobicContact CB-CB 4.27Å; L968-L973 HydrophobicContact CD1-CB 4.34Å; L968-L973 HydrophobicContact CD1-CD2 4.28Å
974S73.2Confident65.7Low61 Ų6157.4 Ų57.443%0.42738%0.381SS..EExtended strand (participates in β ladder)trans-116142.8172.256.40000109.1G922 I923G922-S974 CarbonylContact C-O 3.57Å; I923-S974 WeakPolarHBondContact CB-OG 3.44Å; I923-S974 PolarHBondContact N-O 3.29Å; I923-S974 PolarHBondContact O-N 3.45Å; I923-S974 PolarHBondContact O-OG 3.08Å
975V70.8Confident62.9Low29 Ų2959.8 Ų59.818%0.17640%0.398CS..EExtended strand (participates in β ladder)trans-110132.5-178.2-170.30000109.4L920 L952 F955 I956L920-V975 HydrophobicContact CB-CG1 3.87Å; L920-V975 HydrophobicContact CD1-CG1 4.36Å; L920-V975 HydrophobicContact CD2-CG1 3.63Å; L920-V975 HydrophobicContact CG-CG1 4.17Å; L952-V975 HydrophobicContact CB-CG1 4.12Å; L952-V975 HydrophobicContact CD2-CG1 4.04Å; L952-V975 HydrophobicContact CD2-CG2 3.81Å; L952-V975 HydrophobicContact CG-CG1 4.49Å; F955-V975 HydrophobicContact CD1-CG2 3.59Å; F955-V975 HydrophobicContact CE1-CG2 4.11Å; I956-V975 HydrophobicContact CD1-CB 4.05Å; I956-V975 HydrophobicContact CD1-CG1 3.94Å; I956-V975 HydrophobicContact CD1-CG2 4.4Å; I956-V975 HydrophobicContact CG1-CB 4.14Å; I956-V975 HydrophobicContact CG1-CG1 4.46Å; I956-V975 HydrophobicContact CG1-CG2 4.02Å
976V67.8Low60.1Low45 Ų4560.1 Ų60.127%0.27340%0.402SS..EExtended strand (participates in β ladder)trans-128.1139.4-178.9-1580000109.2R921 I923R921-V976 PolarHBondContact N-O 3.49Å; R921-V976 PolarHBondContact O-N 2.95Å; I923-V976 HydrophobicContact CB-CG2 4.47Å; I923-V976 HydrophobicContact CD1-CB 4.27Å; I923-V976 HydrophobicContact CD1-CG2 3.34Å; I923-V976 HydrophobicContact CG1-CG2 3.78Å
977Y69.6Low57.2Low24 Ų2464.1 Ų64.19%0.09444%0.435CS..EExtended strand (participates in β ladder)trans-77.8143.8175.8-64.8-91.7000110.3K913 V918 Q919 L920 T1024 S1026 L1032K913-Y977 HydrophobicContact CD-CE1 4.05Å; K913-Y977 PolarHBondContact NZ-OH 3.4Å; K913-Y977 VanDerWaalsContact NZ-OH 3.09Å; V918-Y977 HydrophobicContact CG1-CD1 3.47Å; V918-Y977 VanDerWaalsContact CG1-CD1 3.47Å; V918-Y977 HydrophobicContact CG1-CE1 4.45Å; V918-Y977 HydrophobicContact CG1-CG 4.09Å; Q919-Y977 CarbonylContact O-C 3.57Å; L920-Y977 HydrophobicContact CD2-CD1 3.43Å; L920-Y977 VanDerWaalsContact CD2-CD1 3.43Å; L920-Y977 HydrophobicContact CD2-CD2 4.27Å; L920-Y977 HydrophobicContact CD2-CE1 3.3Å; L920-Y977 HydrophobicContact CD2-CE2 4.15Å; L920-Y977 HydrophobicContact CD2-CG 3.97Å; L920-Y977 HydrophobicContact CG-CD1 4.4Å; L920-Y977 HydrophobicContact CG-CE1 4.31Å; Y977-T1024 PolarHBondContact O-OG1 3.27Å; Y977-S1026 VanDerWaalsContact CD2-CB 3.45Å; Y977-S1026 WeakPolarHBondContact CD2-OG 3.24Å; Y977-L1032 HydrophobicContact CD1-CD2 3.99Å; Y977-L1032 HydrophobicContact CD2-CD1 4.27Å; Y977-L1032 HydrophobicContact CG-CD1 3.98Å; Y977-L1032 HydrophobicContact CG-CD2 4.04Å
978S65.8Low54.1Low32 Ų3264.3 Ų64.322%0.22445%0.447CS..EExtended strand (participates in β ladder)trans-144.1156.6176.970.30000111.1Q919Q919-S978 PolarHBondContact N-O 2.87Å; Q919-S978 PolarHBondContact O-N 3.35Å; Q919-S978 VanDerWaalsContact O-O 3.13Å; Q919-S978 PolarHBondContact O-OG 3.19Å
979T59.2Low51.2Low23 Ų2371.6 Ų71.614%0.14149%0.486CS..EExtended strand (participates in β ladder)trans-119.1115.2178.634.70000108.9V918 Y1022 T1024V918-T979 HydrophobicContact CG2-CG2 4.17Å; T979-Y1022 PolarHBondContact OG1-O 2.78Å; T979-T1024 HydrophobicContact CG2-CG2 3.57Å
980G50.5Low48.4Very low19 Ų1975.1 Ų75.120%0.19651%0.505CS..SBendtrans92.7151.417200000118.1S982G980-S982 PolarHBondContact O-N 2.94Å; G980-S982 VanDerWaalsContact O-N 3.14Å
981V34.8Very low45.8Very low126 Ų12680.9 Ų80.976%0.76452%0.517SS*.  trans-75.993.6-179.8-174.70000109.7S983V981-S983 PolarHBondContact O-N 2.7Å
982S29Very low43.3Very low90 Ų9079.9 Ų79.963%0.62952%0.521SS*.  trans-71.694.6172.7630000110.2G980 S984G980-S982 PolarHBondContact O-N 2.94Å; G980-S982 VanDerWaalsContact O-N 3.14Å; S982-S984 PolarHBondContact O-N 2.84Å
983S24.1Very low40.6Very low98 Ų9885 Ų8569%0.68556%0.557SS**  trans-65.5109.316153.80000109.4V981V981-S983 PolarHBondContact O-N 2.7Å
984S23.8Very low38Very low117 Ų11791.1 Ų91.182%0.81860%0.595SS**  trans37.689151.961.50000118.1S982S982-S984 PolarHBondContact O-N 2.84Å
985S23.9Very low35.6Very low118 Ų11894.3 Ų94.383%0.82562%0.618SS**  trans-136.5112.3143.3600000108.6
986G24.3Very low33.3Very low76 Ų76102.7 Ų102.778%0.78465%0.652SS**  trans-61.5134.3-178.500000111.6S988G986-S988 VanDerWaalsContact C-N 3.34Å; G986-S988 PolarHBondContact O-N 3.06Å
987C22.7Very low31.1Very low138 Ų138105.9 Ų105.993%0.93268%0.676SS**  trans-7394.2164.1-155.60000106.8
988S24Very low29Very low100 Ų100114.4 Ų114.470%0.69971%0.714SS**  trans-83116.7164.853.10000108.3G986 T990G986-S988 VanDerWaalsContact C-N 3.34Å; G986-S988 PolarHBondContact O-N 3.06Å; S988-T990 PolarHBondContact O-N 3.18Å
989D22.5Very low26.8Very low152 Ų152124.7 Ų124.781%0.81375%0.748SS**  trans-42.6129.9151.4-68-49000109.3
990T23.8Very low25.3Very low120 Ų120133.2 Ų133.274%0.73678%0.783SS**  trans-174.1119.814016.90000113S988S988-T990 PolarHBondContact O-N 3.18Å
991Q22.2Very low24.1Very low177 Ų177137.6 Ų137.683%0.82781%0.81SS**  20.6128.6121.8-66.2177.3-11.200118S993Q991-S993 PolarHBondContact O-N 3.08Å
992S21.4Very low23.5Very low119 Ų119140.6 Ų140.683%0.83282%0.816SS**  trans-37.2125.4161.2560000114.3
993S21.7Very low23.3Very low116 Ų116145.4 Ų145.481%0.81183%0.828SS**  trans-169.4145.2130.649.60000112.3Q991Q991-S993 PolarHBondContact O-N 3.08Å
994T22.4Very low23.5Very low133 Ų133146.5 Ų146.582%0.81683%0.833SS**  trans-56.5141.6177.743.30000115.6
995S22.7Very low23.7Very low128 Ų128146.9 Ų146.990%0.89583%0.833SS**  178.2161129.8460000113.6
996K22.4Very low23.7Very low206 Ų206146.8 Ų146.890%0.89683%0.832SS**  trans-88.5148-156.2-75.3169.1168.11730115.8
997S21.9Very low23.7Very low111 Ų111148.2 Ų148.278%0.77683%0.83SS**  trans69.6123132.8-155.50000121.5
998K25.3Very low23.7Very low204 Ų204146.9 Ų146.989%0.88782%0.822SS**  -177.2125.5112.9-100.6171.7-179.1176.10113
999R21.3Very low23.6Very low248 Ų248147.4 Ų147.494%0.93683%0.826SS**  trans-70.1147.8165.1-77.7176.4169.8172.8-4.3111.2
1000K26.3Very low23.8Very low202 Ų202146.6 Ų146.688%0.87883%0.827SS**  trans-147.9112.3150.7-107-172.8179.3-175.30111.9
1001S25.1Very low23.9Very low111 Ų111148.6 Ų148.678%0.77683%0.832SS**  trans47.6125.1137.558.90000122.4
1002E23.1Very low24Very low188 Ų188148.2 Ų148.288%0.87984%0.836SS**  trans-61.7150.2165.3-61.1159.414800114.5
1003Q23.9Very low24.2Very low191 Ų191146 Ų14689%0.89383%0.831SS**  trans-142.9133.8140.3-83.5-166.6-24.300108.4
1004P29.2Very low24.4Very low121 Ų121148.2 Ų148.279%0.78683%0.834SS**  trans-92.2159176.636.7-31.2000110.5
1005P27.9Very low24.8Very low125 Ų125151.2 Ų151.281%0.81284%0.839SS**  trans-124.9152.2156.627.6-10.2000114.6
1006S24.3Very low25.2Very low117 Ų117154 Ų15482%0.81884%0.838SS**  trans-67164.9-175.247.40000116.2
1007S23.9Very low26.1Very low106 Ų106148.5 Ų148.574%0.74182%0.817SS**  trans-64.5148.8-17951.90000118.3
1008S22.9Very low27Very low109 Ų109148.4 Ų148.476%0.76281%0.808SS**  111.2133.6129.9750000121.2
1009S22.6Very low28Very low112 Ų112141.4 Ų141.478%0.78378%0.784SS**  trans78.6137161.479.40000117.1
1010T24.7Very low29.5Very low135 Ų135134.2 Ų134.283%0.82877%0.772SS**  cis-163.1157.511.8-19.40000109.3
1011L26.4Very low31.8Very low162 Ų162126.9 Ų126.985%0.84874%0.74SS**  trans-58.7135.5176.3-78.3131.9000114.7
1012N25Very low34.5Very low169 Ų169122.6 Ų122.690%0.90471%0.707SS**  trans-174.8124.1132.2-100.2-16.9000113.9
1013G26.1Very low37.5Very low71 Ų71117.1 Ų117.173%0.73268%0.682SS**  trans52.59013500000121.9
1014N26.2Very low40.5Very low164 Ų164108.2 Ų108.288%0.87764%0.64SS**  163.4111.4128.1-96.7-14.7000108.3Q1016N1014-Q1016 PolarHBondContact O-N 2.91Å
1015H29.7Very low43.2Very low196 Ų196102.8 Ų102.891%0.90761%0.606SS**  trans-72.979.1172.6-85.3-60.3000110.1I1017H1015-I1017 PolarHBondContact O-N 3.48Å
1016Q30.8Very low45.9Very low187 Ų18798.2 Ų98.287%0.87458%0.577SS**  trans-70.6114151.7-95.2179.3-17.300107N1014 D1018N1014-Q1016 PolarHBondContact O-N 2.91Å; Q1016-D1018 PolarHBondContact O-N 3.38Å
1017I41.3Very low48.7Very low89 Ų8994.5 Ų94.546%0.45655%0.548SS..  trans-68117.6177.2-65.1169000107.4R915 H1015 S1019 Y1022R915-I1017 WeakPolarHBondContact O-CD1 3.33Å; H1015-I1017 PolarHBondContact O-N 3.48Å; I1017-S1019 PolarHBondContact O-N 3.1Å; I1017-Y1022 HydrophobicContact CG2-CD2 4.41Å; I1017-Y1022 HydrophobicContact CG2-CE2 3.83Å
1018D40.3Very low51Low109 Ų10995 Ų9558%0.58356%0.558SS**  trans-62.2105.6175.8-167.5-18.1000109.1Q1016 S1020 K1021Q1016-D1018 PolarHBondContact O-N 3.38Å; D1018-S1020 PolarHBondContact O-N 3.07Å; D1018-S1020 VanDerWaalsContact O-N 3.16Å; D1018-S1020 PolarHBondContact OD1-N 2.96Å; D1018-S1020 PolarHBondContact OD1-OG 2.89Å; D1018-K1021 WeakPolarHBondContact O-CB 3.22Å; D1018-K1021 PolarHBondContact O-N 3.28Å
1019S47.2Very low53.6Low57 Ų5795.5 Ų95.540%0.39955%0.547SS..G310 helixtrans-70.3-8.1-172.3580000113.6I1017 K1021I1017-S1019 PolarHBondContact O-N 3.1Å; S1019-K1021 PolarHBondContact O-N 3.17Å
1020S53.8Low56.1Low97 Ų9791.5 Ų91.568%0.67852%0.523SS*.G310 helixtrans-75.9-5.717569.40000114D1018D1018-S1020 PolarHBondContact O-N 3.07Å; D1018-S1020 VanDerWaalsContact O-N 3.16Å; D1018-S1020 PolarHBondContact OD1-N 2.96Å; D1018-S1020 PolarHBondContact OD1-OG 2.89Å
1021K73.5Confident59.1Low48 Ų4885 Ų8521%0.20948%0.483CS..G310 helixtrans-81.6-29.6-172.6172.7162.1-163.4-116.40115.6E877 D1018 S1019 D1036 T1037 T1038E877-K1021 IonicContact OE1-NZ 2.79Å; E877-K1021 PolarHBondContact OE1-NZ 3.2Å; D1018-K1021 WeakPolarHBondContact O-CB 3.22Å; D1018-K1021 PolarHBondContact O-N 3.28Å; S1019-K1021 PolarHBondContact O-N 3.17Å; K1021-D1036 WeakPolarHBondContact CE-OD1 3.4Å; K1021-D1036 WeakPolarHBondContact CE-OD2 3.5Å; K1021-D1036 IonicContact NZ-OD1 3.2Å; K1021-D1036 IonicContact NZ-OD2 3.06Å; K1021-D1036 PolarHBondContact NZ-OD2 2.65Å; K1021-T1037 PolarHBondContact O-N 3.48Å; K1021-T1037 VanDerWaalsContact O-N 3.12Å; K1021-T1037 PolarHBondContact O-OG1 3.02Å; K1021-T1038 WeakPolarHBondContact CE-OG1 3.31Å; K1021-T1038 VanDerWaalsContact CG-OG1 3.27Å; K1021-T1038 WeakPolarHBondContact CG-OG1 3.4Å
1022Y81.9Confident62.1Low22 Ų2277.4 Ų77.49%0.08644%0.443CS..EExtended strand (participates in β ladder)trans-118.7138.7-163.2-67.5-64.3000111.8E877 I879 T979 I1017 I1034 L1035 D1036E877-Y1022 WeakPolarHBondContact OE1-CE1 3.21Å; E877-Y1022 PolarHBondContact OE1-OH 3.46Å; I879-Y1022 HydrophobicContact CD1-CD1 4.16Å; I879-Y1022 HydrophobicContact CD1-CE1 3.78Å; T979-Y1022 PolarHBondContact OG1-O 2.78Å; I1017-Y1022 HydrophobicContact CG2-CD2 4.41Å; I1017-Y1022 HydrophobicContact CG2-CE2 3.83Å; Y1022-I1034 HydrophobicContact CD1-CG2 3.71Å; Y1022-I1034 HydrophobicContact CG-CG2 3.86Å; Y1022-L1035 WeakPolarHBondContact CA-O 3.48Å; Y1022-D1036 HydrophobicContact CD1-CB 4.22Å; Y1022-D1036 HydrophobicContact CE1-CB 3.93Å
1023E85.2Confident65.2Low73 Ų7369.4 Ų69.434%0.34140%0.4SS..EExtended strand (participates in β ladder)trans-120.4142.7176-75.3-76.7-178.800110.2I863 C867 I1034 L1035 T1037I863-E1023 HydrophobicContact CG2-CB 3.51Å; C867-E1023 VanDerWaalsContact SG-CG 3.53Å; E1023-I1034 CarbonylContact O-C 3.57Å; E1023-I1034 VanDerWaalsContact O-CA 3.3Å; E1023-I1034 WeakPolarHBondContact O-CA 3.42Å; E1023-L1035 PolarHBondContact N-O 3.12Å; E1023-L1035 PolarHBondContact O-N 3.46Å; E1023-T1037 HydrophobicContact CB-CG2 3.96Å; E1023-T1037 HydrophobicContact CG-CG2 3.97Å
1024T87.7Confident68.3Low3 Ų366 Ų662%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-132.7146.7-16561.50000114.3R866 Y977 T979 V1033 I1034R866-T1024 VanDerWaalsContact CZ-O 3.3Å; R866-T1024 PolarHBondContact NH1-O 3.25Å; R866-T1024 PolarHBondContact NH2-O 3.28Å; Y977-T1024 PolarHBondContact O-OG1 3.27Å; T979-T1024 HydrophobicContact CG2-CG2 3.57Å; T1024-V1033 VanDerWaalsContact CA-O 3.31Å; T1024-V1033 WeakPolarHBondContact CA-O 3.42Å; T1024-I1034 HydrophobicContact CG2-CB 4.16Å; T1024-I1034 HydrophobicContact CG2-CD1 4.06Å; T1024-I1034 HydrophobicContact CG2-CG1 3.71Å; T1024-I1034 HydrophobicContact CG2-CG2 3.96Å
1025A86.1Confident71.3Confident8 Ų858.2 Ų58.27%0.06632%0.324CS..EExtended strand (participates in β ladder)trans-142.9145.5171.300000110.3L859 I862 I863 L1032 V1033L859-A1025 HydrophobicContact CB-CB 4.16Å; L859-A1025 HydrophobicContact CD2-CB 3.97Å; I862-A1025 HydrophobicContact CG2-CB 4.44Å; I863-A1025 HydrophobicContact CD1-CB 3.95Å; I863-A1025 HydrophobicContact CG1-CB 3.62Å; A1025-L1032 WeakPolarHBondContact O-CD1 3.26Å; A1025-V1033 PolarHBondContact N-O 3.01Å; A1025-V1033 PolarHBondContact O-N 3.21Å
1026S85.3Confident74.1Confident29 Ų2949 Ų4920%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-134.4157.7-18060.60000112.9Y977 L1031Y977-S1026 VanDerWaalsContact CD2-CB 3.45Å; Y977-S1026 WeakPolarHBondContact CD2-OG 3.24Å; S1026-L1031 CarbonylContact C-O 3.29Å; S1026-L1031 WeakPolarHBondContact CA-O 3.22Å; S1026-L1031 WeakPolarHBondContact CB-O 3.5Å
1027D81.7Confident76.7Confident39 Ų3941.5 Ų41.521%0.20925%0.248CC..  trans-105173.7170.576.18.5000112.8L859 K1029 G1030 L1031L859-D1027 HydrophobicContact CD1-CB 4.32Å; L859-D1027 HydrophobicContact CD2-CB 4.47Å; D1027-K1029 PolarHBondContact O-N 3.49Å; D1027-K1029 WeakPolarHBondContact OD1-CA 3.45Å; D1027-K1029 PolarHBondContact OD1-N 3.08Å; D1027-G1030 PolarHBondContact O-N 3.41Å; D1027-G1030 PolarHBondContact OD1-N 3.34Å; D1027-L1031 PolarHBondContact N-O 3.35Å; D1027-L1031 WeakPolarHBondContact OD1-CB 3.49Å; D1027-L1031 PolarHBondContact OD1-N 2.88Å
1028A73.5Confident78.7Confident115 Ų11539.7 Ų39.795%0.9524%0.241SC*.THydrogen-bonded Turntrans-70.6-13.3178.500000113.7
1029K75.7Confident80.2Confident121 Ų12140.4 Ų40.453%0.52625%0.252SS..THydrogen-bonded Turntrans-91.2-1.3178.2-68-172.7177.3179.50112.6Y851 W852 H882 D1027Y851-K1029 HydrophobicContact CE1-CD 4.26Å; Y851-K1029 VanDerWaalsContact CZ-NZ 3.32Å; Y851-K1029 WeakPolarHBondContact OH-CD 3.31Å; Y851-K1029 VanDerWaalsContact OH-CE 3.27Å; Y851-K1029 WeakPolarHBondContact OH-CE 3.33Å; Y851-K1029 PolarHBondContact OH-NZ 3.45Å; W852-K1029 HydrophobicContact CH2-CB 4.06Å; W852-K1029 HydrophobicContact CH2-CD 3.89Å; W852-K1029 HydrophobicContact CZ3-CB 4.42Å; H882-K1029 PolarHBondContact NE2-O 3.4Å; D1027-K1029 PolarHBondContact O-N 3.49Å; D1027-K1029 WeakPolarHBondContact OD1-CA 3.45Å; D1027-K1029 PolarHBondContact OD1-N 3.08Å
1030G76.9Confident81.8Confident27 Ų2739.2 Ų39.228%0.27824%0.241SC..SBendtrans92.98.4176.200000114.2D1027D1027-G1030 PolarHBondContact O-N 3.41Å; D1027-G1030 PolarHBondContact OD1-N 3.34Å
1031L87.4Confident83Confident0 Ų042.2 Ų42.20%024%0.244CC..  trans-74.6126.1171.1-171.170.9000109.5W852 A856 L859 V880 H882 I887 I891 S1026 D1027W852-L1031 HydrophobicContact CE3-CD2 4.17Å; W852-L1031 HydrophobicContact CZ3-CB 4.25Å; W852-L1031 HydrophobicContact CZ3-CD2 4.48Å; A856-L1031 HydrophobicContact CB-CD2 4.37Å; L859-L1031 HydrophobicContact CD1-CB 4.32Å; L859-L1031 HydrophobicContact CD1-CD2 4Å; L859-L1031 HydrophobicContact CD1-CG 4.15Å; V880-L1031 HydrophobicContact CG1-CD1 3.59Å; V880-L1031 HydrophobicContact CG1-CG 4.41Å; H882-L1031 HydrophobicContact CB-CD1 4.12Å; I887-L1031 HydrophobicContact CG2-CD1 4.44Å; I891-L1031 HydrophobicContact CD1-CD1 3.58Å; I891-L1031 HydrophobicContact CD1-CD2 4.48Å; S1026-L1031 CarbonylContact C-O 3.29Å; S1026-L1031 WeakPolarHBondContact CA-O 3.22Å; S1026-L1031 WeakPolarHBondContact CB-O 3.5Å; D1027-L1031 PolarHBondContact N-O 3.35Å; D1027-L1031 WeakPolarHBondContact OD1-CB 3.49Å; D1027-L1031 PolarHBondContact OD1-N 2.88Å
1032L88.6Confident83.4Confident2 Ų246.3 Ų46.31%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-118.3128.6176.617065.7000109.1V880 I881 V918 Y977 A1025 I1034V880-L1032 CarbonylContact C-O 3.45Å; V880-L1032 WeakPolarHBondContact CA-O 3.39Å; I881-L1032 HydrophobicContact CB-CB 4.14Å; I881-L1032 HydrophobicContact CB-CD2 4.21Å; I881-L1032 HydrophobicContact CB-CG 4.37Å; I881-L1032 HydrophobicContact CD1-CD2 4.09Å; I881-L1032 HydrophobicContact CG1-CD2 4.38Å; I881-L1032 PolarHBondContact N-O 3.17Å; I881-L1032 PolarHBondContact O-N 3.44Å; V918-L1032 HydrophobicContact CB-CD2 4.39Å; V918-L1032 HydrophobicContact CG1-CD2 3.62Å; V918-L1032 HydrophobicContact CG2-CD2 4Å; Y977-L1032 HydrophobicContact CD1-CD2 3.99Å; Y977-L1032 HydrophobicContact CD2-CD1 4.27Å; Y977-L1032 HydrophobicContact CG-CD1 3.98Å; Y977-L1032 HydrophobicContact CG-CD2 4.04Å; A1025-L1032 WeakPolarHBondContact O-CD1 3.26Å; L1032-I1034 HydrophobicContact CG-CG1 4.28Å
1033V90.5Very high83.4Confident0 Ų046 Ų460%026%0.264CS..EExtended strand (participates in β ladder)trans-113.8137.8172.4179.90000108.8A856 L859 I863 I879 V880 T1024 A1025A856-V1033 HydrophobicContact CB-CG2 4.32Å; L859-V1033 HydrophobicContact CB-CB 3.86Å; L859-V1033 HydrophobicContact CB-CG2 3.68Å; L859-V1033 HydrophobicContact CD1-CG2 3.85Å; L859-V1033 HydrophobicContact CG-CG2 4.42Å; I863-V1033 HydrophobicContact CD1-CB 4.38Å; I863-V1033 HydrophobicContact CD1-CG1 4.14Å; I863-V1033 WeakPolarHBondContact CD1-O 3.46Å; I879-V1033 CarbonylContact O-C 3.59Å; I879-V1033 WeakPolarHBondContact O-CA 3.3Å; V880-V1033 HydrophobicContact CG2-CG2 4.3Å; T1024-V1033 VanDerWaalsContact CA-O 3.31Å; T1024-V1033 WeakPolarHBondContact CA-O 3.42Å; A1025-V1033 PolarHBondContact N-O 3.01Å; A1025-V1033 PolarHBondContact O-N 3.21Å
1034I90.7Very high83.3Confident0 Ų045.6 Ų45.60%026%0.262CS..EExtended strand (participates in β ladder)trans-123.2133.9176.5-47.5-168.9000107.6A878 I879 I881 Y916 V918 Y1022 E1023 T1024 L1032A878-I1034 CarbonylContact C-O 3.54Å; A878-I1034 VanDerWaalsContact CA-O 3.31Å; A878-I1034 WeakPolarHBondContact CA-O 3.43Å; I879-I1034 HydrophobicContact CB-CB 4.1Å; I879-I1034 HydrophobicContact CD1-CB 4.22Å; I879-I1034 HydrophobicContact CD1-CG2 4.12Å; I879-I1034 PolarHBondContact N-O 3.36Å; I879-I1034 PolarHBondContact O-N 3.23Å; I881-I1034 HydrophobicContact CD1-CD1 3.66Å; I881-I1034 HydrophobicContact CD1-CG1 4.41Å; I881-I1034 HydrophobicContact CG1-CD1 4.39Å; Y916-I1034 HydrophobicContact CG-CD1 4.34Å; V918-I1034 HydrophobicContact CG2-CD1 3.66Å; Y1022-I1034 HydrophobicContact CD1-CG2 3.71Å; Y1022-I1034 HydrophobicContact CG-CG2 3.86Å; E1023-I1034 CarbonylContact O-C 3.57Å; E1023-I1034 VanDerWaalsContact O-CA 3.3Å; E1023-I1034 WeakPolarHBondContact O-CA 3.42Å; T1024-I1034 HydrophobicContact CG2-CB 4.16Å; T1024-I1034 HydrophobicContact CG2-CD1 4.06Å; T1024-I1034 HydrophobicContact CG2-CG1 3.71Å; T1024-I1034 HydrophobicContact CG2-CG2 3.96Å; L1032-I1034 HydrophobicContact CG-CG1 4.28Å
1035L90.1Very high83.2Confident0 Ų047.4 Ų47.40%027%0.272CS..EExtended strand (participates in β ladder)trans-113.3137.6169.8-66.9-177.8000110.2G860 I863 R864 L875 A878 L902 V904 Y1022 E1023 T1037G860-L1035 WeakPolarHBondContact O-CD1 3.28Å; I863-L1035 HydrophobicContact CB-CD1 3.86Å; I863-L1035 HydrophobicContact CB-CG 4.34Å; I863-L1035 HydrophobicContact CD1-CD1 4.36Å; I863-L1035 HydrophobicContact CD1-CG 3.99Å; I863-L1035 HydrophobicContact CG2-CB 4.05Å; I863-L1035 HydrophobicContact CG2-CD1 3.83Å; I863-L1035 HydrophobicContact CG2-CG 4.17Å; R864-L1035 HydrophobicContact CG-CD1 3.69Å; L875-L1035 HydrophobicContact CD1-CB 4.31Å; L875-L1035 HydrophobicContact CD1-CD1 3.98Å; A878-L1035 HydrophobicContact CB-CD2 3.6Å; L902-L1035 HydrophobicContact CD1-CD2 4.49Å; V904-L1035 HydrophobicContact CG1-CD2 4.07Å; Y1022-L1035 WeakPolarHBondContact CA-O 3.48Å; E1023-L1035 PolarHBondContact N-O 3.12Å; E1023-L1035 PolarHBondContact O-N 3.46Å; L1035-T1037 HydrophobicContact CB-CG2 4.36Å; L1035-T1037 PolarHBondContact O-N 2.7Å
1036D88.9Confident83.1Confident2 Ų247.7 Ų47.71%0.01127%0.272CS..EExtended strand (participates in β ladder)trans-76111.8165-178.6-6.9000109.2R876 E877 K1021 Y1022 T1038R876-D1036 HydrophobicContact CB-CB 4.34Å; R876-D1036 WeakPolarHBondContact CB-OD2 3.35Å; E877-D1036 HydrophobicContact CG-CB 3.45Å; E877-D1036 VanDerWaalsContact CG-CB 3.45Å; E877-D1036 PolarHBondContact O-N 3.22Å; K1021-D1036 WeakPolarHBondContact CE-OD1 3.4Å; K1021-D1036 WeakPolarHBondContact CE-OD2 3.5Å; K1021-D1036 IonicContact NZ-OD1 3.2Å; K1021-D1036 IonicContact NZ-OD2 3.06Å; K1021-D1036 PolarHBondContact NZ-OD2 2.65Å; Y1022-D1036 HydrophobicContact CD1-CB 4.22Å; Y1022-D1036 HydrophobicContact CE1-CB 3.93Å; D1036-T1038 VanDerWaalsContact OD1-CB 3.28Å; D1036-T1038 WeakPolarHBondContact OD1-CB 3.15Å; D1036-T1038 PolarHBondContact OD1-N 3.44Å; D1036-T1038 PolarHBondContact OD1-OG1 3.33Å
1037T84.7Confident83.1Confident31 Ų3149 Ų4919%0.1927%0.272CS..  trans-104.111.1-177.959.60000112.5L869 K1021 E1023 L1035L869-T1037 HydrophobicContact CD1-CG2 3.58Å; K1021-T1037 PolarHBondContact O-N 3.48Å; K1021-T1037 VanDerWaalsContact O-N 3.12Å; K1021-T1037 PolarHBondContact O-OG1 3.02Å; E1023-T1037 HydrophobicContact CB-CG2 3.96Å; E1023-T1037 HydrophobicContact CG-CG2 3.97Å; L1035-T1037 HydrophobicContact CB-CG2 4.36Å; L1035-T1037 PolarHBondContact O-N 2.7Å
1038T82.4Confident83.3Confident51 Ų5147.5 Ų47.531%0.31326%0.264SS..  trans-59130.7178.9-39.90000110.4K1021 D1036 D1040K1021-T1038 WeakPolarHBondContact CE-OG1 3.31Å; K1021-T1038 VanDerWaalsContact CG-OG1 3.27Å; K1021-T1038 WeakPolarHBondContact CG-OG1 3.4Å; D1036-T1038 VanDerWaalsContact OD1-CB 3.28Å; D1036-T1038 WeakPolarHBondContact OD1-CB 3.15Å; D1036-T1038 PolarHBondContact OD1-N 3.44Å; D1036-T1038 PolarHBondContact OD1-OG1 3.33Å; T1038-D1040 PolarHBondContact O-N 3.29Å
1039P72.4Confident83.9Confident124 Ų12442 Ų4281%0.80522%0.219SC*.  trans-58131.1171.3-22.232.6000111.1
1040D80.2Confident84.4Confident31 Ų3140.7 Ų40.717%0.16621%0.21CC..  trans-132.4121.3177.3-177.7-54.9000108.3R876 T1038 E1042 L1043 E1044R876-D1040 IonicContact CZ-OD2 2.6Å; R876-D1040 IonicContact NE-OD2 3.86Å; R876-D1040 PolarHBondContact NE-OD2 3.22Å; R876-D1040 IonicContact NH2-OD2 3.65Å; R876-D1040 PolarHBondContact NH2-OD2 3.4Å; T1038-D1040 PolarHBondContact O-N 3.29Å; D1040-E1042 VanDerWaalsContact C-N 3.34Å; D1040-E1042 PolarHBondContact O-N 3Å; D1040-E1042 WeakPolarHBondContact OD1-CB 3.46Å; D1040-E1042 PolarHBondContact OD1-N 2.86Å; D1040-L1043 HydrophobicContact CB-CB 4.04Å; D1040-L1043 HydrophobicContact CB-CD1 3.87Å; D1040-L1043 HydrophobicContact CB-CG 3.93Å; D1040-L1043 PolarHBondContact O-N 3.07Å; D1040-L1043 PolarHBondContact OD1-N 3.31Å; D1040-L1043 VanDerWaalsContact OD1-N 3.15Å; D1040-E1044 VanDerWaalsContact O-CB 3.23Å; D1040-E1044 WeakPolarHBondContact O-CB 3.44Å; D1040-E1044 PolarHBondContact O-N 3.41Å
1041E78.4Confident84.9Confident160 Ų16040.8 Ų40.875%0.74820%0.204SC*.Hα-helixtrans-66.2-34.1-172.8-166.5178.4-178.600112.7N1045E1041-N1045 WeakPolarHBondContact O-CB 3.46Å; E1041-N1045 VanDerWaalsContact O-CG 3.22Å; E1041-N1045 PolarHBondContact O-N 2.75Å; E1041-N1045 PolarHBondContact O-ND2 2.99Å; E1041-N1045 VanDerWaalsContact O-ND2 3.13Å
1042E82.5Confident84.9Confident134 Ų13440.9 Ų40.963%0.62620%0.204SC*.Hα-helixtrans-69.7-44.9178-171-177.2175.100110.8D1040 E1044 N1045 E1046 Y1092D1040-E1042 VanDerWaalsContact C-N 3.34Å; D1040-E1042 PolarHBondContact O-N 3Å; D1040-E1042 WeakPolarHBondContact OD1-CB 3.46Å; D1040-E1042 PolarHBondContact OD1-N 2.86Å; E1042-E1044 VanDerWaalsContact C-N 3.31Å; E1042-E1044 PolarHBondContact O-N 3.22Å; E1042-N1045 PolarHBondContact O-N 3.1Å; E1042-E1046 PolarHBondContact O-N 3.15Å; E1042-Y1092 PolarHBondContact O-OH 3.27Å
1043L83.2Confident84.9Confident17 Ų1741.4 Ų41.49%0.08921%0.208CC..Hα-helixtrans-66.8-34.4176.9-60.3-176.2000111.9P874 R876 R905 D1040 E1046 R1047P874-L1043 HydrophobicContact CB-CD2 4.03Å; P874-L1043 WeakPolarHBondContact CD-O 3.46Å; P874-L1043 HydrophobicContact CG-CB 3.97Å; P874-L1043 HydrophobicContact CG-CD2 3.81Å; P874-L1043 HydrophobicContact CG-CG 4.4Å; P874-L1043 WeakPolarHBondContact O-CD1 3.47Å; R876-L1043 HydrophobicContact CG-CD1 3.8Å; R905-L1043 HydrophobicContact CG-CD2 4.5Å; D1040-L1043 HydrophobicContact CB-CB 4.04Å; D1040-L1043 HydrophobicContact CB-CD1 3.87Å; D1040-L1043 HydrophobicContact CB-CG 3.93Å; D1040-L1043 PolarHBondContact O-N 3.07Å; D1040-L1043 PolarHBondContact OD1-N 3.31Å; D1040-L1043 VanDerWaalsContact OD1-N 3.15Å; L1043-E1046 PolarHBondContact O-N 2.82Å; L1043-R1047 WeakPolarHBondContact O-CB 3.46Å; L1043-R1047 PolarHBondContact O-N 3.11Å
1044E81.6Confident84.7Confident64 Ų6443.3 Ų43.330%0.29922%0.218SC..Hα-helixtrans-68.6-41.2174.8-178.651.6-143.200111.7D1040 E1042 E1046 R1047 L1048D1040-E1044 VanDerWaalsContact O-CB 3.23Å; D1040-E1044 WeakPolarHBondContact O-CB 3.44Å; D1040-E1044 PolarHBondContact O-N 3.41Å; E1042-E1044 VanDerWaalsContact C-N 3.31Å; E1042-E1044 PolarHBondContact O-N 3.22Å; E1044-E1046 VanDerWaalsContact C-N 3.34Å; E1044-E1046 PolarHBondContact O-N 3.01Å; E1044-R1047 VanDerWaalsContact CD-NE 3.3Å; E1044-R1047 VanDerWaalsContact O-CB 3.3Å; E1044-R1047 WeakPolarHBondContact O-CB 3.4Å; E1044-R1047 PolarHBondContact O-N 2.95Å; E1044-R1047 IonicContact OE1-CZ 2.71Å; E1044-R1047 IonicContact OE1-NE 3.63Å; E1044-R1047 PolarHBondContact OE1-NE 3.45Å; E1044-R1047 IonicContact OE1-NH1 3.67Å; E1044-R1047 IonicContact OE1-NH2 3.89Å; E1044-R1047 PolarHBondContact OE1-NH2 3.25Å; E1044-R1047 WeakPolarHBondContact OE2-CD 3.45Å; E1044-R1047 IonicContact OE2-CZ 3.8Å; E1044-R1047 IonicContact OE2-NE 2.87Å; E1044-R1047 PolarHBondContact OE2-NE 3.36Å; E1044-R1047 IonicContact OE2-NH1 3.74Å; E1044-R1047 PolarHBondContact OE2-NH1 3.14Å; E1044-R1047 IonicContact OE2-NH2 2.94Å; E1044-L1048 WeakPolarHBondContact O-CG 3.38Å; E1044-L1048 PolarHBondContact O-N 3.01Å
1045N85.7Confident84.7Confident41 Ų4146 Ų4622%0.21923%0.228CC..Hα-helixtrans-62-40.9172.5-76.1-30.8000112E1041 E1042 L1048 A1049 I1085 Y1092E1041-N1045 WeakPolarHBondContact O-CB 3.46Å; E1041-N1045 VanDerWaalsContact O-CG 3.22Å; E1041-N1045 PolarHBondContact O-N 2.75Å; E1041-N1045 PolarHBondContact O-ND2 2.99Å; E1041-N1045 VanDerWaalsContact O-ND2 3.13Å; E1042-N1045 PolarHBondContact O-N 3.1Å; N1045-L1048 PolarHBondContact O-N 3.46Å; N1045-A1049 PolarHBondContact O-N 2.92Å; N1045-I1085 HydrophobicContact CB-CG2 3.69Å; N1045-Y1092 HydrophobicContact CB-CE2 3.88Å
1046E84.3Confident84.7Confident13 Ų1346.1 Ų46.16%0.06123%0.229CC..Hα-helixtrans-63.2-42.1173.8-168.4-178.4164.700112.1P874 R905 E1042 L1043 E1044 L1048 A1049 R1050 Y1092P874-E1046 HydrophobicContact CG-CB 4.2Å; P874-E1046 HydrophobicContact CG-CG 4.34Å; P874-E1046 WeakPolarHBondContact CG-OE2 3.43Å; R905-E1046 IonicContact CZ-OE2 3.62Å; R905-E1046 IonicContact NH2-OE1 2.86Å; R905-E1046 IonicContact NH2-OE2 3.04Å; R905-E1046 PolarHBondContact NH2-OE2 3.48Å; E1042-E1046 PolarHBondContact O-N 3.15Å; L1043-E1046 PolarHBondContact O-N 2.82Å; E1044-E1046 VanDerWaalsContact C-N 3.34Å; E1044-E1046 PolarHBondContact O-N 3.01Å; E1046-L1048 VanDerWaalsContact C-N 3.33Å; E1046-L1048 PolarHBondContact O-N 2.94Å; E1046-A1049 PolarHBondContact O-N 2.76Å; E1046-R1050 WeakPolarHBondContact O-CG 3.42Å; E1046-R1050 PolarHBondContact O-N 3.37Å; E1046-R1050 IonicContact OE1-CZ 3.67Å; E1046-R1050 VanDerWaalsContact OE1-CZ 3.23Å; E1046-R1050 IonicContact OE1-NE 2.96Å; E1046-R1050 PolarHBondContact OE1-NE 3.37Å; E1046-R1050 IonicContact OE1-NH2 3.46Å; E1046-R1050 PolarHBondContact OE1-NH2 3.44Å; E1046-Y1092 HydrophobicContact CB-CE1 3.92Å; E1046-Y1092 WeakPolarHBondContact CB-OH 3.47Å; E1046-Y1092 HydrophobicContact CG-CE1 3.85Å
1047R84.8Confident84.6Confident57 Ų5749.2 Ų49.222%0.21524%0.243CC..Hα-helixtrans-55.1-50.4175.3-178.1-167.285.91638.1110.5A873 L1043 E1044 A1049 R1050 E1051A873-R1047 HydrophobicContact CB-CB 4.2Å; A873-R1047 HydrophobicContact CB-CG 3.77Å; L1043-R1047 WeakPolarHBondContact O-CB 3.46Å; L1043-R1047 PolarHBondContact O-N 3.11Å; E1044-R1047 VanDerWaalsContact CD-NE 3.3Å; E1044-R1047 VanDerWaalsContact O-CB 3.3Å; E1044-R1047 WeakPolarHBondContact O-CB 3.4Å; E1044-R1047 PolarHBondContact O-N 2.95Å; E1044-R1047 IonicContact OE1-CZ 2.71Å; E1044-R1047 IonicContact OE1-NE 3.63Å; E1044-R1047 PolarHBondContact OE1-NE 3.45Å; E1044-R1047 IonicContact OE1-NH1 3.67Å; E1044-R1047 IonicContact OE1-NH2 3.89Å; E1044-R1047 PolarHBondContact OE1-NH2 3.25Å; E1044-R1047 WeakPolarHBondContact OE2-CD 3.45Å; E1044-R1047 IonicContact OE2-CZ 3.8Å; E1044-R1047 IonicContact OE2-NE 2.87Å; E1044-R1047 PolarHBondContact OE2-NE 3.36Å; E1044-R1047 IonicContact OE2-NH1 3.74Å; E1044-R1047 PolarHBondContact OE2-NH1 3.14Å; E1044-R1047 IonicContact OE2-NH2 2.94Å; R1047-A1049 VanDerWaalsContact C-N 3.34Å; R1047-A1049 PolarHBondContact O-N 2.81Å; R1047-R1050 PolarHBondContact O-N 2.77Å; R1047-E1051 WeakPolarHBondContact O-CB 3.25Å; R1047-E1051 PolarHBondContact O-N 3.46Å
1048L86.2Confident84.6Confident8 Ų854.5 Ų54.54%0.04226%0.259CS..Hα-helixtrans-61.8-42.1-179.9-68173.6000111.2E1044 N1045 E1046 E1051 L1052 Y1082 I1085 I1143E1044-L1048 WeakPolarHBondContact O-CG 3.38Å; E1044-L1048 PolarHBondContact O-N 3.01Å; N1045-L1048 PolarHBondContact O-N 3.46Å; E1046-L1048 VanDerWaalsContact C-N 3.33Å; E1046-L1048 PolarHBondContact O-N 2.94Å; L1048-E1051 PolarHBondContact O-N 3.18Å; L1048-L1052 WeakPolarHBondContact O-CB 3.31Å; L1048-L1052 PolarHBondContact O-N 2.84Å; L1048-Y1082 HydrophobicContact CB-CE1 4.29Å; L1048-Y1082 HydrophobicContact CD2-CE1 4.2Å; L1048-I1085 HydrophobicContact CB-CD1 3.47Å; L1048-I1085 VanDerWaalsContact CB-CD1 3.47Å; L1048-I1143 HydrophobicContact CD2-CG2 4.38Å
1049A87.6Confident84.9Confident0 Ų052.1 Ų52.10%025%0.245CC..Hα-helixtrans-62.5-44.9177.400000112.2N1045 E1046 R1047 L1052 V1053 I1085 Y1092 F1095 I1096N1045-A1049 PolarHBondContact O-N 2.92Å; E1046-A1049 PolarHBondContact O-N 2.76Å; R1047-A1049 VanDerWaalsContact C-N 3.34Å; R1047-A1049 PolarHBondContact O-N 2.81Å; A1049-L1052 PolarHBondContact O-N 3.33Å; A1049-V1053 WeakPolarHBondContact O-CG2 3.3Å; A1049-V1053 PolarHBondContact O-N 3.47Å; A1049-V1053 VanDerWaalsContact O-N 3.07Å; A1049-I1085 HydrophobicContact CB-CD1 4.44Å; A1049-Y1092 HydrophobicContact CB-CD1 3.98Å; A1049-Y1092 HydrophobicContact CB-CD2 4.42Å; A1049-Y1092 HydrophobicContact CB-CG 3.76Å; A1049-F1095 HydrophobicContact CB-CD1 4.26Å; A1049-F1095 HydrophobicContact CB-CE1 4.37Å; A1049-I1096 HydrophobicContact CB-CD1 4.35Å; A1049-I1096 HydrophobicContact CB-CG1 4.45Å
1050R86.2Confident85.6Confident92 Ų9246.6 Ų46.635%0.34721%0.208SC..Hα-helixtrans-65.5-37.7176.1-71.7175.1178.6-97.12.6112.4E1046 R1047 N1054 F1095E1046-R1050 WeakPolarHBondContact O-CG 3.42Å; E1046-R1050 PolarHBondContact O-N 3.37Å; E1046-R1050 IonicContact OE1-CZ 3.67Å; E1046-R1050 VanDerWaalsContact OE1-CZ 3.23Å; E1046-R1050 IonicContact OE1-NE 2.96Å; E1046-R1050 PolarHBondContact OE1-NE 3.37Å; E1046-R1050 IonicContact OE1-NH2 3.46Å; E1046-R1050 PolarHBondContact OE1-NH2 3.44Å; R1047-R1050 PolarHBondContact O-N 2.77Å; R1050-N1054 PolarHBondContact O-N 2.79Å; R1050-N1054 VanDerWaalsContact O-N 3.1Å; R1050-F1095 HydrophobicContact CG-CE1 4.01Å; R1050-F1095 HydrophobicContact CG-CZ 3.93Å
1051E85.9Confident85.6Confident30 Ų3053.4 Ų53.414%0.1424%0.236CC..Hα-helixtrans-67.1-41.8178-16955.6-150.600111K872 R1047 L1048 N1054 R1055 I1143K872-E1051 WeakPolarHBondContact CD-OE2 3.08Å; K872-E1051 WeakPolarHBondContact CE-OE2 3.44Å; K872-E1051 IonicContact NZ-OE1 3.42Å; K872-E1051 IonicContact NZ-OE2 3.95Å; K872-E1051 PolarHBondContact NZ-OE2 2.85Å; R1047-E1051 WeakPolarHBondContact O-CB 3.25Å; R1047-E1051 PolarHBondContact O-N 3.46Å; L1048-E1051 PolarHBondContact O-N 3.18Å; E1051-N1054 PolarHBondContact O-N 3.42Å; E1051-R1055 WeakPolarHBondContact O-CG 3.47Å; E1051-R1055 PolarHBondContact O-N 2.89Å; E1051-R1055 IonicContact OE1-CZ 2.66Å; E1051-R1055 IonicContact OE1-NE 3.93Å; E1051-R1055 PolarHBondContact OE1-NE 2.88Å; E1051-R1055 IonicContact OE1-NH2 2.7Å; E1051-R1055 PolarHBondContact OE1-NH2 3.49Å; E1051-I1143 HydrophobicContact CB-CG2 4.13Å; E1051-I1143 HydrophobicContact CG-CB 4.48Å; E1051-I1143 HydrophobicContact CG-CG1 4.19Å; E1051-I1143 HydrophobicContact CG-CG2 3.55Å
1052L88.1Confident85.9Confident1 Ų152.2 Ų52.21%0.00523%0.228CC..Hα-helixtrans-59.3-49.9174.3-177.257.1000112.2L1048 A1049 N1054 R1055 I1056 A1086 I1096 F1104 I1143 I1148 L1150L1048-L1052 WeakPolarHBondContact O-CB 3.31Å; L1048-L1052 PolarHBondContact O-N 2.84Å; A1049-L1052 PolarHBondContact O-N 3.33Å; L1052-N1054 VanDerWaalsContact C-N 3.26Å; L1052-N1054 PolarHBondContact O-N 3.07Å; L1052-R1055 PolarHBondContact O-N 3.28Å; L1052-R1055 VanDerWaalsContact O-N 3.09Å; L1052-I1056 HydrophobicContact CD1-CD1 4.41Å; L1052-I1056 HydrophobicContact CG-CD1 4.17Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.31Å; L1052-I1056 PolarHBondContact O-N 2.9Å; L1052-A1086 HydrophobicContact CD2-CB 4.03Å; L1052-I1096 HydrophobicContact CD2-CD1 4.08Å; L1052-F1104 HydrophobicContact CD2-CE1 4.48Å; L1052-F1104 HydrophobicContact CD2-CZ 3.9Å; L1052-F1104 HydrophobicContact CG-CZ 4.43Å; L1052-I1143 HydrophobicContact CD1-CD1 4.16Å; L1052-I1148 HydrophobicContact CD1-CD1 4.02Å; L1052-L1150 HydrophobicContact CD1-CD2 4.31Å
1053V89.2Confident85.8Confident14 Ų1446.9 Ų46.99%0.08521%0.207CC..Hα-helixtrans-53.4-45.6173.8169.50000111.2A1049 R1055 I1056 Q1057 F1095 I1096 T1099 I1100A1049-V1053 WeakPolarHBondContact O-CG2 3.3Å; A1049-V1053 PolarHBondContact O-N 3.47Å; A1049-V1053 VanDerWaalsContact O-N 3.07Å; V1053-R1055 PolarHBondContact O-N 3.04Å; V1053-I1056 WeakPolarHBondContact O-CB 3.5Å; V1053-I1056 PolarHBondContact O-N 2.81Å; V1053-Q1057 HydrophobicContact CG1-CG 4.49Å; V1053-Q1057 WeakPolarHBondContact O-CG 3.25Å; V1053-Q1057 PolarHBondContact O-N 3.01Å; V1053-F1095 HydrophobicContact CG2-CE1 4.29Å; V1053-I1096 HydrophobicContact CG2-CB 4.15Å; V1053-I1096 HydrophobicContact CG2-CG1 3.88Å; V1053-I1096 HydrophobicContact CG2-CG2 4.02Å; V1053-T1099 HydrophobicContact CG1-CG2 3.64Å; V1053-I1100 HydrophobicContact CG1-CG2 4.11Å; V1053-I1100 HydrophobicContact CG2-CG2 4.48Å
1054N86.5Confident85.7Confident40 Ų4052.2 Ų52.221%0.21423%0.232CC..Hα-helixtrans-66.2-36.5179.9172.771.1000112.7K872 R1050 E1051 L1052 Q1057 R1058K872-N1054 PolarHBondContact NZ-ND2 3.46Å; R1050-N1054 PolarHBondContact O-N 2.79Å; R1050-N1054 VanDerWaalsContact O-N 3.1Å; E1051-N1054 PolarHBondContact O-N 3.42Å; L1052-N1054 VanDerWaalsContact C-N 3.26Å; L1052-N1054 PolarHBondContact O-N 3.07Å; N1054-Q1057 PolarHBondContact O-N 2.89Å; N1054-R1058 PolarHBondContact ND2-NE 3.45Å; N1054-R1058 WeakPolarHBondContact O-CG 3.23Å; N1054-R1058 PolarHBondContact O-N 2.69Å
1055R89.4Confident85.4Confident57 Ų5750.6 Ų50.622%0.21523%0.225CC..Hα-helixtrans-66.5-42.8174.3-63.5-53.3165.9157.30.8111.5E1051 L1052 V1053 Q1057 R1058 T1059 V1141 I1143 L1150E1051-R1055 WeakPolarHBondContact O-CG 3.47Å; E1051-R1055 PolarHBondContact O-N 2.89Å; E1051-R1055 IonicContact OE1-CZ 2.66Å; E1051-R1055 IonicContact OE1-NE 3.93Å; E1051-R1055 PolarHBondContact OE1-NE 2.88Å; E1051-R1055 IonicContact OE1-NH2 2.7Å; E1051-R1055 PolarHBondContact OE1-NH2 3.49Å; L1052-R1055 PolarHBondContact O-N 3.28Å; L1052-R1055 VanDerWaalsContact O-N 3.09Å; V1053-R1055 PolarHBondContact O-N 3.04Å; R1055-Q1057 VanDerWaalsContact C-N 3.33Å; R1055-Q1057 PolarHBondContact O-N 2.69Å; R1055-R1058 PolarHBondContact O-N 2.74Å; R1055-R1058 VanDerWaalsContact O-N 3.14Å; R1055-T1059 PolarHBondContact O-N 3.32Å; R1055-T1059 PolarHBondContact O-OG1 2.93Å; R1055-T1059 VanDerWaalsContact O-OG1 3.11Å; R1055-V1141 HydrophobicContact CB-CB 4.05Å; R1055-V1141 HydrophobicContact CB-CG1 4.18Å; R1055-V1141 HydrophobicContact CB-CG2 3.8Å; R1055-V1141 HydrophobicContact CG-CB 4.07Å; R1055-V1141 HydrophobicContact CG-CG2 4.06Å; R1055-I1143 HydrophobicContact CB-CD1 4.26Å; R1055-I1143 HydrophobicContact CG-CD1 3.63Å; R1055-I1143 HydrophobicContact CG-CG1 3.62Å; R1055-L1150 HydrophobicContact CB-CD1 3.94Å
1056I90.3Very high84.8Confident2 Ų253.4 Ų53.41%0.0124%0.239CC..Hα-helixtrans-54.7-48.9173.2-67.9166.5000111.1L1052 V1053 R1058 T1059 R1060 I1073 I1096 I1100 F1104 L1150L1052-I1056 HydrophobicContact CD1-CD1 4.41Å; L1052-I1056 HydrophobicContact CG-CD1 4.17Å; L1052-I1056 WeakPolarHBondContact O-CG1 3.31Å; L1052-I1056 PolarHBondContact O-N 2.9Å; V1053-I1056 WeakPolarHBondContact O-CB 3.5Å; V1053-I1056 PolarHBondContact O-N 2.81Å; I1056-R1058 VanDerWaalsContact C-N 3.35Å; I1056-R1058 PolarHBondContact O-N 3.46Å; I1056-T1059 PolarHBondContact O-N 2.87Å; I1056-R1060 WeakPolarHBondContact O-CB 3.49Å; I1056-R1060 PolarHBondContact O-N 2.74Å; I1056-I1073 HydrophobicContact CD1-CG2 4.47Å; I1056-I1073 HydrophobicContact CG1-CG2 4.27Å; I1056-I1073 HydrophobicContact CG2-CD1 3.69Å; I1056-I1073 HydrophobicContact CG2-CG1 4.48Å; I1056-I1073 HydrophobicContact CG2-CG2 4.2Å; I1056-I1096 HydrophobicContact CD1-CG2 4.35Å; I1056-I1100 HydrophobicContact CG2-CG2 4.07Å; I1056-F1104 HydrophobicContact CD1-CD2 3.76Å; I1056-F1104 HydrophobicContact CD1-CE2 3.52Å; I1056-F1104 HydrophobicContact CD1-CZ 4.17Å; I1056-L1150 HydrophobicContact CG1-CD1 4Å; I1056-L1150 HydrophobicContact CG1-CD2 3.87Å
1057Q86.5Confident84Confident67 Ų6757 Ų5731%0.31326%0.264SS..Hα-helixtrans-66.2-35.1179.8-67.8-67.9-6.600112.8V1053 N1054 R1055 K1061V1053-Q1057 HydrophobicContact CG1-CG 4.49Å; V1053-Q1057 WeakPolarHBondContact O-CG 3.25Å; V1053-Q1057 PolarHBondContact O-N 3.01Å; N1054-Q1057 PolarHBondContact O-N 2.89Å; R1055-Q1057 VanDerWaalsContact C-N 3.33Å; R1055-Q1057 PolarHBondContact O-N 2.69Å; Q1057-K1061 WeakPolarHBondContact O-CB 3.34Å; Q1057-K1061 PolarHBondContact O-N 3.36Å
1058R85.1Confident83.5Confident142 Ų14260.2 Ų60.254%0.53628%0.282SS..Hα-helixtrans-67.2-44173.8-76.2-179.4-178-168-1.4111.9N1054 R1055 I1056 R1060 K1061 K1062N1054-R1058 PolarHBondContact ND2-NE 3.45Å; N1054-R1058 WeakPolarHBondContact O-CG 3.23Å; N1054-R1058 PolarHBondContact O-N 2.69Å; R1055-R1058 PolarHBondContact O-N 2.74Å; R1055-R1058 VanDerWaalsContact O-N 3.14Å; I1056-R1058 VanDerWaalsContact C-N 3.35Å; I1056-R1058 PolarHBondContact O-N 3.46Å; R1058-R1060 VanDerWaalsContact C-N 3.32Å; R1058-K1061 PolarHBondContact O-N 2.81Å; R1058-K1062 WeakPolarHBondContact O-CB 3.3Å; R1058-K1062 PolarHBondContact O-N 3.04Å
1059T88.2Confident83.3Confident0 Ų062.5 Ų62.50%029%0.294CS..Hα-helixtrans-63.4-40.3176.4-59.40000110.8R1055 I1056 K1061 K1062 A1063 I1137 D1139 L1150 I1152R1055-T1059 PolarHBondContact O-N 3.32Å; R1055-T1059 PolarHBondContact O-OG1 2.93Å; R1055-T1059 VanDerWaalsContact O-OG1 3.11Å; I1056-T1059 PolarHBondContact O-N 2.87Å; T1059-K1061 PolarHBondContact O-N 3.06Å; T1059-K1062 WeakPolarHBondContact O-CB 3.38Å; T1059-K1062 PolarHBondContact O-N 3.5Å; T1059-A1063 PolarHBondContact O-N 3.14Å; T1059-I1137 HydrophobicContact CG2-CD1 4.26Å; T1059-I1137 HydrophobicContact CG2-CG1 4.44Å; T1059-I1137 HydrophobicContact CG2-CG2 3.75Å; T1059-D1139 HydrophobicContact CG2-CB 3.57Å; T1059-D1139 PolarHBondContact OG1-OD2 3.45Å; T1059-L1150 HydrophobicContact CG2-CB 4.39Å; T1059-I1152 HydrophobicContact CG2-CD1 4.02Å; T1059-I1152 HydrophobicContact CG2-CG1 4.46Å
1060R87.2Confident83.3Confident9 Ų964.6 Ų64.63%0.03431%0.307CS..Hα-helixtrans-58-46.2171.7-172.6-175.4-172.4149.818.4112.3I1056 R1058 A1063 E1064 L1065 L1066 P1067 N1069 I1071 I1152I1056-R1060 WeakPolarHBondContact O-CB 3.49Å; I1056-R1060 PolarHBondContact O-N 2.74Å; R1058-R1060 VanDerWaalsContact C-N 3.32Å; R1060-A1063 CarbonylContact O-C 3.59Å; R1060-A1063 PolarHBondContact O-N 2.68Å; R1060-E1064 PolarHBondContact O-N 3.21Å; R1060-L1065 HydrophobicContact CG-CB 3.64Å; R1060-L1065 HydrophobicContact CG-CD1 4.29Å; R1060-L1065 PolarHBondContact O-N 3.1Å; R1060-L1065 VanDerWaalsContact O-N 3.15Å; R1060-L1066 VanDerWaalsContact CZ-O 3.28Å; R1060-L1066 PolarHBondContact NE-O 3.48Å; R1060-L1066 PolarHBondContact NH2-O 3.43Å; R1060-P1067 PolarHBondContact NH1-O 2.64Å; R1060-P1067 PolarHBondContact NH2-O 2.86Å; R1060-N1069 PolarHBondContact NH2-O 2.94Å; R1060-I1071 HydrophobicContact CG-CD1 4.46Å; R1060-I1152 HydrophobicContact CB-CD1 4.28Å
1061K81Confident83.5Confident173 Ų17360.3 Ų60.375%0.75229%0.291SS*.Hα-helixtrans-66.2-37.3177.4-168.7178.3-179.1-176.40112.3Q1057 R1058 T1059 A1063 E1064Q1057-K1061 WeakPolarHBondContact O-CB 3.34Å; Q1057-K1061 PolarHBondContact O-N 3.36Å; R1058-K1061 PolarHBondContact O-N 2.81Å; T1059-K1061 PolarHBondContact O-N 3.06Å; K1061-A1063 PolarHBondContact O-N 3.04Å; K1061-E1064 PolarHBondContact O-N 3.44Å
1062K83.6Confident83.8Confident135 Ų13558.9 Ų58.959%0.58728%0.284SS*.Hα-helixtrans-63.7-29.8174.7-172.3178.8175-175.60111.9R1058 T1059 E1064 I1137 D1139R1058-K1062 WeakPolarHBondContact O-CB 3.3Å; R1058-K1062 PolarHBondContact O-N 3.04Å; T1059-K1062 WeakPolarHBondContact O-CB 3.38Å; T1059-K1062 PolarHBondContact O-N 3.5Å; K1062-E1064 VanDerWaalsContact C-N 3.32Å; K1062-I1137 HydrophobicContact CB-CD1 4.29Å; K1062-I1137 HydrophobicContact CD-CD1 4.2Å; K1062-I1137 HydrophobicContact CG-CD1 4.11Å; K1062-D1139 IonicContact NZ-OD1 2.88Å; K1062-D1139 PolarHBondContact NZ-OD1 3.34Å; K1062-D1139 IonicContact NZ-OD2 2.73Å
1063A82.5Confident84Confident23 Ų2358.9 Ų58.919%0.1929%0.285CS..THydrogen-bonded Turntrans-87.87.7173.200000114.2T1059 R1060 K1061 L1065 V1136 I1137T1059-A1063 PolarHBondContact O-N 3.14Å; R1060-A1063 CarbonylContact O-C 3.59Å; R1060-A1063 PolarHBondContact O-N 2.68Å; K1061-A1063 PolarHBondContact O-N 3.04Å; A1063-L1065 HydrophobicContact CB-CD1 3.94Å; A1063-L1065 HydrophobicContact CB-CG 4.06Å; A1063-L1065 PolarHBondContact O-N 2.82Å; A1063-L1065 VanDerWaalsContact O-N 3.1Å; A1063-V1136 HydrophobicContact CB-CG1 4.11Å; A1063-I1137 HydrophobicContact CB-CB 3.99Å; A1063-I1137 HydrophobicContact CB-CD1 4.03Å; A1063-I1137 HydrophobicContact CB-CG2 3.73Å
1064E79.4Confident84.2Confident128 Ų12858.2 Ų58.260%0.59828%0.281SS*.THydrogen-bonded Turntrans56.726179.5-57.5-178170.100114.4R1060 K1061 K1062R1060-E1064 PolarHBondContact O-N 3.21Å; K1061-E1064 PolarHBondContact O-N 3.44Å; K1062-E1064 VanDerWaalsContact C-N 3.32Å
1065L75.9Confident84.4Confident31 Ų3156.4 Ų56.416%0.16227%0.271CS..  trans-85.5127.2179.8-68.8167.8000111.4R1060 A1063 N1069 I1071 V1136 I1152R1060-L1065 HydrophobicContact CG-CB 3.64Å; R1060-L1065 HydrophobicContact CG-CD1 4.29Å; R1060-L1065 PolarHBondContact O-N 3.1Å; R1060-L1065 VanDerWaalsContact O-N 3.15Å; A1063-L1065 HydrophobicContact CB-CD1 3.94Å; A1063-L1065 HydrophobicContact CB-CG 4.06Å; A1063-L1065 PolarHBondContact O-N 2.82Å; A1063-L1065 VanDerWaalsContact O-N 3.1Å; L1065-N1069 HydrophobicContact CD2-CB 4.09Å; L1065-I1071 HydrophobicContact CD1-CD1 4.38Å; L1065-I1071 HydrophobicContact CD1-CG2 4.07Å; L1065-I1071 HydrophobicContact CD2-CG2 4.41Å; L1065-V1136 HydrophobicContact CD1-CG1 3.98Å; L1065-V1136 HydrophobicContact CD2-CG1 4.24Å; L1065-V1136 HydrophobicContact CG-CG1 4.25Å; L1065-I1152 HydrophobicContact CD1-CD1 4.43Å; L1065-I1152 HydrophobicContact CD1-CG2 3.92Å
1066L73.1Confident84.3Confident99 Ų9954 Ų5452%0.51826%0.262SS..  trans-72.6153171.4-60.5175000111.4R1060 E1068 N1069R1060-L1066 VanDerWaalsContact CZ-O 3.28Å; R1060-L1066 PolarHBondContact NE-O 3.48Å; R1060-L1066 PolarHBondContact NH2-O 3.43Å; L1066-E1068 HydrophobicContact CB-CG 4.1Å; L1066-E1068 PolarHBondContact O-N 3.27Å; L1066-E1068 VanDerWaalsContact O-N 3.12Å; L1066-N1069 WeakPolarHBondContact CA-OD1 3.18Å; L1066-N1069 WeakPolarHBondContact CB-OD1 3.27Å; L1066-N1069 PolarHBondContact N-OD1 3.29Å; L1066-N1069 WeakPolarHBondContact O-CB 3.47Å; L1066-N1069 PolarHBondContact O-N 2.96Å; L1066-N1069 PolarHBondContact O-OD1 3.2Å
1067P68.2Low84.2Confident90 Ų9053.9 Ų53.958%0.58426%0.262SS*.THydrogen-bonded Turntrans-51-30.9179.2-29.837.3000116.1R1060R1060-P1067 PolarHBondContact NH1-O 2.64Å; R1060-P1067 PolarHBondContact NH2-O 2.86Å
1068E73.9Confident84Confident124 Ų12454.1 Ų54.158%0.57927%0.265SS*.THydrogen-bonded Turntrans-83.8-16.2179.851.9-91.9-150.500114.2L1066L1066-E1068 HydrophobicContact CB-CG 4.1Å; L1066-E1068 PolarHBondContact O-N 3.27Å; L1066-E1068 VanDerWaalsContact O-N 3.12Å
1069N81.7Confident83.9Confident56 Ų5649.8 Ų49.830%0.29925%0.252SS..SBendtrans-62.6127-179.4-70.1126.3000110.6R1060 L1065 L1066 I1071 Q1102R1060-N1069 PolarHBondContact NH2-O 2.94Å; L1065-N1069 HydrophobicContact CD2-CB 4.09Å; L1066-N1069 WeakPolarHBondContact CA-OD1 3.18Å; L1066-N1069 WeakPolarHBondContact CB-OD1 3.27Å; L1066-N1069 PolarHBondContact N-OD1 3.29Å; L1066-N1069 WeakPolarHBondContact O-CB 3.47Å; L1066-N1069 PolarHBondContact O-N 2.96Å; L1066-N1069 PolarHBondContact O-OD1 3.2Å; N1069-I1071 PolarHBondContact O-N 3.33Å; N1069-Q1102 PolarHBondContact O-NE2 3.23Å
1070P87.1Confident83.6Confident44 Ų4453.9 Ų53.929%0.28627%0.274SS..  trans-77112.5-175.532.2-36000109.9W1130 R1155P1070-W1130 HydrophobicContact CB-CE3 4.33Å; P1070-W1130 HydrophobicContact CB-CH2 3.65Å; P1070-W1130 HydrophobicContact CB-CZ3 3.42Å; P1070-W1130 VanDerWaalsContact CB-CZ3 3.42Å; P1070-W1130 HydrophobicContact CG-CH2 4.13Å; P1070-W1130 HydrophobicContact CG-CZ3 3.76Å; P1070-R1155 HydrophobicContact CB-CG 3.91Å; P1070-R1155 VanDerWaalsContact CG-O 3.31Å; P1070-R1155 WeakPolarHBondContact CG-O 3.36Å; P1070-R1155 WeakPolarHBondContact O-CG 3.37Å; P1070-R1155 PolarHBondContact O-N 2.97Å
1071I91.7Very high83.3Confident1 Ų155 Ų551%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-133.9165.9-174.359.7175.3000111.8R1060 L1065 N1069 I1073 Q1102 P1103 I1152 F1153 R1155R1060-I1071 HydrophobicContact CG-CD1 4.46Å; L1065-I1071 HydrophobicContact CD1-CD1 4.38Å; L1065-I1071 HydrophobicContact CD1-CG2 4.07Å; L1065-I1071 HydrophobicContact CD2-CG2 4.41Å; N1069-I1071 PolarHBondContact O-N 3.33Å; I1071-I1073 HydrophobicContact CD1-CD1 3.99Å; I1071-I1073 HydrophobicContact CD1-CG1 4.08Å; I1071-I1073 HydrophobicContact CG1-CD1 4.43Å; I1071-I1073 HydrophobicContact CG1-CG1 4.42Å; I1071-Q1102 HydrophobicContact CD1-CG 4.21Å; I1071-Q1102 HydrophobicContact CG1-CB 4.12Å; I1071-Q1102 HydrophobicContact CG1-CG 3.67Å; I1071-Q1102 VanDerWaalsContact N-OE1 3.16Å; I1071-Q1102 PolarHBondContact O-OE1 2.92Å; I1071-Q1102 VanDerWaalsContact O-OE1 3.09Å; I1071-P1103 WeakPolarHBondContact O-CD 3.24Å; I1071-I1152 HydrophobicContact CB-CG2 3.75Å; I1071-I1152 HydrophobicContact CD1-CG2 3.77Å; I1071-I1152 HydrophobicContact CG1-CG2 4.27Å; I1071-I1152 HydrophobicContact CG2-CG2 3.93Å; I1071-F1153 CarbonylContact C-O 3.57Å; I1071-F1153 WeakPolarHBondContact CA-O 3.48Å; I1071-F1153 VanDerWaalsContact CB-O 3.31Å; I1071-F1153 WeakPolarHBondContact CB-O 3.37Å; I1071-R1155 PolarHBondContact O-NE 3.15Å; I1071-R1155 VanDerWaalsContact O-NE 3.1Å
1072V91.9Very high83.5Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-127.9134.9169.6174.70000108P1103 A1122 I1125 L1126 L1132 I1152 F1153 R1155V1072-P1103 HydrophobicContact CG2-CB 4.25Å; V1072-P1103 HydrophobicContact CG2-CG 4.31Å; V1072-A1122 HydrophobicContact CG1-CB 4.36Å; V1072-I1125 HydrophobicContact CG1-CD1 3.51Å; V1072-I1125 HydrophobicContact CG1-CG1 3.65Å; V1072-L1126 HydrophobicContact CG2-CD1 3.83Å; V1072-L1126 HydrophobicContact CG2-CG 4.26Å; V1072-L1132 HydrophobicContact CB-CD1 4.24Å; V1072-L1132 HydrophobicContact CG2-CD1 4.35Å; V1072-I1152 CarbonylContact O-C 3.55Å; V1072-I1152 WeakPolarHBondContact O-CA 3.43Å; V1072-F1153 HydrophobicContact CB-CB 4.5Å; V1072-F1153 PolarHBondContact N-O 3.47Å; V1072-F1153 PolarHBondContact O-N 2.94Å; V1072-R1155 HydrophobicContact CG2-CG 4.41Å
1073I92.6Very high83.5Confident2 Ų241.9 Ų41.91%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-119.7132.2-173.2-56.3149.3000109.7I1056 I1071 I1100 Q1102 P1103 F1104 S1105 I1151 I1152I1056-I1073 HydrophobicContact CD1-CG2 4.47Å; I1056-I1073 HydrophobicContact CG1-CG2 4.27Å; I1056-I1073 HydrophobicContact CG2-CD1 3.69Å; I1056-I1073 HydrophobicContact CG2-CG1 4.48Å; I1056-I1073 HydrophobicContact CG2-CG2 4.2Å; I1071-I1073 HydrophobicContact CD1-CD1 3.99Å; I1071-I1073 HydrophobicContact CD1-CG1 4.08Å; I1071-I1073 HydrophobicContact CG1-CD1 4.43Å; I1071-I1073 HydrophobicContact CG1-CG1 4.42Å; I1073-I1100 HydrophobicContact CD1-CD1 4.04Å; I1073-Q1102 HydrophobicContact CD1-CB 4.06Å; I1073-P1103 PolarHBondContact N-O 3.25Å; I1073-F1104 HydrophobicContact CB-CD2 4.03Å; I1073-F1104 HydrophobicContact CG2-CD2 3.81Å; I1073-F1104 HydrophobicContact CG2-CE2 4.3Å; I1073-F1104 VanDerWaalsContact O-CA 3.31Å; I1073-F1104 WeakPolarHBondContact O-CA 3.31Å; I1073-S1105 PolarHBondContact O-N 3.44Å; I1073-I1151 CarbonylContact C-O 3.57Å; I1073-I1151 WeakPolarHBondContact CA-O 3.38Å; I1073-I1152 HydrophobicContact CG1-CG1 4.18Å; I1073-I1152 HydrophobicContact CG1-CG2 4.38Å; I1073-I1152 HydrophobicContact CG2-CG1 4.46Å
1074L91.9Very high83.6Confident0 Ų045.8 Ų45.80%024%0.243CC..EExtended strand (participates in β ladder)trans-118.7135.2173.3-65.3178.8000110S1105 I1107 I1118 C1121 A1122 I1125 L1150 I1151 F1153L1074-S1105 WeakPolarHBondContact CA-O 3.43Å; L1074-I1107 HydrophobicContact CB-CD1 4.25Å; L1074-I1107 HydrophobicContact CD1-CD1 3.56Å; L1074-I1107 HydrophobicContact CD2-CD1 3.71Å; L1074-I1107 HydrophobicContact CD2-CG1 4.32Å; L1074-I1107 HydrophobicContact CG-CD1 4.04Å; L1074-I1118 HydrophobicContact CD1-CG2 3.87Å; L1074-I1118 WeakPolarHBondContact CD1-O 3.31Å; L1074-C1121 HydrophobicContact CD1-CB 4.48Å; L1074-A1122 HydrophobicContact CD1-CB 3.78Å; L1074-A1122 HydrophobicContact CG-CB 4.41Å; L1074-I1125 HydrophobicContact CD2-CD1 3.65Å; L1074-L1150 CarbonylContact O-C 3.42Å; L1074-L1150 WeakPolarHBondContact O-CA 3.46Å; L1074-I1151 HydrophobicContact CB-CB 4.46Å; L1074-I1151 PolarHBondContact N-O 3.16Å; L1074-I1151 PolarHBondContact O-N 3.29Å; L1074-F1153 HydrophobicContact CD1-CE2 4.01Å
1075A90.5Very high84Confident1 Ų139.7 Ų39.71%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-108.6127.2168.500000109.6F1104 S1105 V1106 I1107 I1148 D1149 L1150A1075-F1104 HydrophobicContact CB-CE2 3.76Å; A1075-F1104 HydrophobicContact CB-CZ 3.9Å; A1075-S1105 PolarHBondContact N-O 2.94Å; A1075-V1106 HydrophobicContact CB-CG2 4.18Å; A1075-V1106 CarbonylContact O-C 3.46Å; A1075-V1106 VanDerWaalsContact O-CA 3.22Å; A1075-V1106 WeakPolarHBondContact O-CA 3.37Å; A1075-I1107 PolarHBondContact O-N 3.04Å; A1075-I1148 HydrophobicContact CB-CG2 3.82Å; A1075-D1149 CarbonylContact C-O 3.53Å; A1075-D1149 WeakPolarHBondContact CA-O 3.31Å; A1075-L1150 HydrophobicContact CB-CD2 3.75Å
1076I89.3Confident84.4Confident6 Ų638.2 Ų38.23%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-111.1124.1-179.9-59.2167.2000109.4I1107 Q1109 I1112 I1118 D1149 I1151I1076-I1107 VanDerWaalsContact CA-O 3.28Å; I1076-I1107 WeakPolarHBondContact CA-O 3.47Å; I1076-I1107 HydrophobicContact CG1-CB 4.4Å; I1076-Q1109 HydrophobicContact CG2-CB 3.69Å; I1076-Q1109 HydrophobicContact CG2-CG 4.01Å; I1076-I1112 HydrophobicContact CB-CD1 4.35Å; I1076-I1112 HydrophobicContact CD1-CD1 3.57Å; I1076-I1112 HydrophobicContact CG1-CD1 3.8Å; I1076-I1112 HydrophobicContact CG2-CD1 3.61Å; I1076-I1118 HydrophobicContact CD1-CD1 4.09Å; I1076-I1118 HydrophobicContact CD1-CG1 4.43Å; I1076-D1149 HydrophobicContact CB-CB 4.03Å; I1076-D1149 PolarHBondContact N-O 3.09Å; I1076-D1149 PolarHBondContact O-N 3.01Å; I1076-I1151 HydrophobicContact CD1-CD1 3.38Å; I1076-I1151 HydrophobicContact CD1-CG1 4.32Å; I1076-I1151 HydrophobicContact CG1-CD1 4.44Å
1077T87Confident85Confident1 Ų133.6 Ų33.61%0.00618%0.183CC..  trans-162.6151.4179.2-1790000110.8L1079 Y1082 Y1083 V1106 I1107 R1108 Q1109T1077-L1079 PolarHBondContact OG1-N 3.44Å; T1077-Y1082 HydrophobicContact CG2-CD2 4.14Å; T1077-Y1082 HydrophobicContact CG2-CG 4.18Å; T1077-Y1083 HydrophobicContact CG2-CE2 4.4Å; T1077-Y1083 WeakPolarHBondContact O-CE2 3.37Å; T1077-V1106 HydrophobicContact CG2-CG1 3.78Å; T1077-I1107 PolarHBondContact N-O 3.4Å; T1077-I1107 VanDerWaalsContact N-O 3.11Å; T1077-R1108 WeakPolarHBondContact O-CA 3.42Å; T1077-Q1109 PolarHBondContact O-N 3.47Å
1078D83.1Confident85.4Confident72 Ų7233.9 Ų33.939%0.38519%0.185SC..  trans-99.52.4172.8-83.4-29.4000113.3Q1109 S1110D1078-Q1109 PolarHBondContact OD1-N 2.74Å; D1078-S1110 WeakPolarHBondContact OD1-CB 3.42Å; D1078-S1110 PolarHBondContact OD1-N 2.81Å; D1078-S1110 PolarHBondContact OD1-OG 3.09Å; D1078-S1110 PolarHBondContact OD2-N 3.28Å
1079L82.5Confident85.7Confident50 Ų5035.5 Ų35.526%0.26220%0.198SC..  trans-79.3124.5-179.4-96.7170.9000112.8T1077 S1081 Y1082 Y1083 P1145 D1146T1077-L1079 PolarHBondContact OG1-N 3.44Å; L1079-S1081 PolarHBondContact O-N 3.32Å; L1079-Y1082 HydrophobicContact CB-CD2 3.84Å; L1079-Y1082 HydrophobicContact CB-CE2 4.4Å; L1079-Y1082 HydrophobicContact CD1-CD2 4.18Å; L1079-Y1082 HydrophobicContact CD1-CE2 3.92Å; L1079-Y1082 PolarHBondContact O-N 3.11Å; L1079-Y1083 PolarHBondContact O-N 3.01Å; L1079-P1145 HydrophobicContact CD1-CG 4.27Å; L1079-D1146 HydrophobicContact CD1-CB 3.19Å; L1079-D1146 VanDerWaalsContact CD1-OD2 3.3Å; L1079-D1146 WeakPolarHBondContact CD1-OD2 3.45Å; L1079-D1146 HydrophobicContact CG-CB 4.36Å
1080D81.5Confident85.7Confident87 Ų8733.4 Ų33.447%0.46519%0.189SC..Hα-helixtrans-58.8-29.9177.6-70.1-39000112.9Y1082 Y1083 N1084 R1108D1080-Y1082 PolarHBondContact O-N 3.14Å; D1080-Y1083 WeakPolarHBondContact O-CB 3.46Å; D1080-Y1083 PolarHBondContact O-N 3.37Å; D1080-N1084 WeakPolarHBondContact O-CB 3.39Å; D1080-N1084 PolarHBondContact O-N 3.24Å; D1080-N1084 PolarHBondContact O-ND2 2.72Å; D1080-N1084 PolarHBondContact O-OD1 3.48Å; D1080-R1108 IonicContact OD1-CZ 3.39Å; D1080-R1108 IonicContact OD1-NH1 3.41Å; D1080-R1108 PolarHBondContact OD1-NH1 2.87Å; D1080-R1108 IonicContact OD1-NH2 2.82Å; D1080-R1108 PolarHBondContact OD1-NH2 2.92Å
1081S80.9Confident85.6Confident32 Ų3238.3 Ų38.322%0.22421%0.213CC..Hα-helixtrans-59.3-42.7177.654.10000112.7L1079 N1084 I1085L1079-S1081 PolarHBondContact O-N 3.32Å; S1081-N1084 PolarHBondContact O-N 3.04Å; S1081-I1085 WeakPolarHBondContact O-CG2 3Å; S1081-I1085 PolarHBondContact O-N 2.64Å
1082Y84.6Confident85.4Confident1 Ų140.1 Ų40.10%0.00422%0.22CC..Hα-helixtrans-73.8-30.4177.5-67.4-68.3000112.5L1048 T1077 L1079 D1080 I1085 A1086 I1143 I1148L1048-Y1082 HydrophobicContact CB-CE1 4.29Å; L1048-Y1082 HydrophobicContact CD2-CE1 4.2Å; T1077-Y1082 HydrophobicContact CG2-CD2 4.14Å; T1077-Y1082 HydrophobicContact CG2-CG 4.18Å; L1079-Y1082 HydrophobicContact CB-CD2 3.84Å; L1079-Y1082 HydrophobicContact CB-CE2 4.4Å; L1079-Y1082 HydrophobicContact CD1-CD2 4.18Å; L1079-Y1082 HydrophobicContact CD1-CE2 3.92Å; L1079-Y1082 PolarHBondContact O-N 3.11Å; D1080-Y1082 PolarHBondContact O-N 3.14Å; Y1082-I1085 HydrophobicContact CD1-CD1 3.78Å; Y1082-I1085 HydrophobicContact CE1-CD1 4.31Å; Y1082-I1085 WeakPolarHBondContact O-CG1 3.23Å; Y1082-A1086 WeakPolarHBondContact O-CA 3.29Å; Y1082-A1086 WeakPolarHBondContact O-CB 3.47Å; Y1082-A1086 PolarHBondContact O-N 3.24Å; Y1082-I1143 HydrophobicContact CE1-CG2 4.37Å; Y1082-I1143 WeakPolarHBondContact OH-CB 3.21Å; Y1082-I1143 WeakPolarHBondContact OH-CG2 3.13Å; Y1082-I1143 PolarHBondContact OH-O 3.23Å; Y1082-I1148 HydrophobicContact CD1-CD1 3.58Å; Y1082-I1148 HydrophobicContact CD2-CD1 3.77Å; Y1082-I1148 HydrophobicContact CD2-CG1 4.3Å; Y1082-I1148 HydrophobicContact CE1-CD1 3.5Å; Y1082-I1148 VanDerWaalsContact CE1-CD1 3.5Å; Y1082-I1148 HydrophobicContact CE2-CD1 3.66Å; Y1082-I1148 HydrophobicContact CE2-CG1 4.1Å; Y1082-I1148 HydrophobicContact CG-CD1 3.74Å
1083Y84.5Confident85.2Confident31 Ų3141.4 Ų41.412%0.12223%0.227CC..Hα-helixtrans-64.2-44.2171.3-93.6-80.3000112.8T1077 L1079 D1080 I1085 G1087 V1106 I1107 R1108T1077-Y1083 HydrophobicContact CG2-CE2 4.4Å; T1077-Y1083 WeakPolarHBondContact O-CE2 3.37Å; L1079-Y1083 PolarHBondContact O-N 3.01Å; D1080-Y1083 WeakPolarHBondContact O-CB 3.46Å; D1080-Y1083 PolarHBondContact O-N 3.37Å; Y1083-I1085 VanDerWaalsContact C-N 3.33Å; Y1083-I1085 PolarHBondContact O-N 3.41Å; Y1083-G1087 VanDerWaalsContact O-CA 3.28Å; Y1083-G1087 WeakPolarHBondContact O-CA 3.09Å; Y1083-G1087 PolarHBondContact O-N 2.87Å; Y1083-V1106 HydrophobicContact CD2-CG1 4.45Å; Y1083-V1106 HydrophobicContact CE1-CG1 4.47Å; Y1083-V1106 HydrophobicContact CE2-CG1 3.82Å; Y1083-V1106 PolarHBondContact OH-O 3.2Å; Y1083-I1107 WeakPolarHBondContact OH-CA 3.39Å; Y1083-I1107 PolarHBondContact OH-N 2.86Å; Y1083-I1107 PolarHBondContact OH-O 2.72Å; Y1083-R1108 HydrophobicContact CD1-CG 4.49Å; Y1083-R1108 HydrophobicContact CD2-CG 3.95Å; Y1083-R1108 HydrophobicContact CE1-CG 3.86Å; Y1083-R1108 HydrophobicContact CE2-CB 4.22Å; Y1083-R1108 HydrophobicContact CE2-CG 3.21Å; Y1083-R1108 WeakPolarHBondContact OH-CA 3.29Å; Y1083-R1108 WeakPolarHBondContact OH-CG 3.47Å; Y1083-R1108 PolarHBondContact OH-N 2.93Å
1084N84.1Confident84.9Confident105 Ų10547.3 Ų47.356%0.56126%0.259SS*.Hα-helixtrans-69-32.2-178.3-67.3-14.2000112D1080 S1081 G1090 N1091D1080-N1084 WeakPolarHBondContact O-CB 3.39Å; D1080-N1084 PolarHBondContact O-N 3.24Å; D1080-N1084 PolarHBondContact O-ND2 2.72Å; D1080-N1084 PolarHBondContact O-OD1 3.48Å; S1081-N1084 PolarHBondContact O-N 3.04Å; N1084-G1090 WeakPolarHBondContact O-CA 3.37Å; N1084-N1091 PolarHBondContact O-N 3.34Å
1085I87Confident84.7Confident1 Ų150.5 Ų50.51%0.00527%0.272CS..Hα-helixtrans-85.9-37.8177.170.5-175000112.9N1045 L1048 A1049 S1081 Y1082 Y1083 G1090 Y1092 L1093N1045-I1085 HydrophobicContact CB-CG2 3.69Å; L1048-I1085 HydrophobicContact CB-CD1 3.47Å; L1048-I1085 VanDerWaalsContact CB-CD1 3.47Å; A1049-I1085 HydrophobicContact CB-CD1 4.44Å; S1081-I1085 WeakPolarHBondContact O-CG2 3Å; S1081-I1085 PolarHBondContact O-N 2.64Å; Y1082-I1085 HydrophobicContact CD1-CD1 3.78Å; Y1082-I1085 HydrophobicContact CE1-CD1 4.31Å; Y1082-I1085 WeakPolarHBondContact O-CG1 3.23Å; Y1083-I1085 VanDerWaalsContact C-N 3.33Å; Y1083-I1085 PolarHBondContact O-N 3.41Å; I1085-G1090 CarbonylContact O-C 3.35Å; I1085-Y1092 HydrophobicContact CB-CD2 4.14Å; I1085-Y1092 HydrophobicContact CG2-CD2 4.29Å; I1085-Y1092 CarbonylContact O-C 3.55Å; I1085-Y1092 VanDerWaalsContact O-CA 3.28Å; I1085-Y1092 WeakPolarHBondContact O-CA 3.21Å; I1085-Y1092 WeakPolarHBondContact O-CB 3.28Å; I1085-Y1092 PolarHBondContact O-N 3Å; I1085-L1093 PolarHBondContact O-N 2.85Å
1086A85.8Confident84.6Confident0 Ų050.4 Ų50.40%027%0.272CS..Hα-helixtrans-135.40.3-162.900000115.1L1052 Y1082 I1096 F1104 V1106L1052-A1086 HydrophobicContact CD2-CB 4.03Å; Y1082-A1086 WeakPolarHBondContact O-CA 3.29Å; Y1082-A1086 WeakPolarHBondContact O-CB 3.47Å; Y1082-A1086 PolarHBondContact O-N 3.24Å; A1086-I1096 HydrophobicContact CB-CD1 3.46Å; A1086-I1096 VanDerWaalsContact CB-CD1 3.46Å; A1086-F1104 HydrophobicContact CB-CE1 4.14Å; A1086-V1106 HydrophobicContact CB-CG2 3.63Å; A1086-V1106 WeakPolarHBondContact O-CG2 2.92Å
1087G84.3Confident84.4Confident1 Ų153.2 Ų53.21%0.0129%0.285CS..SBendtrans-67.9-177.4169.700000112.4Y1083 N1089 G1090Y1083-G1087 VanDerWaalsContact O-CA 3.28Å; Y1083-G1087 WeakPolarHBondContact O-CA 3.09Å; Y1083-G1087 PolarHBondContact O-N 2.87Å; G1087-N1089 PolarHBondContact O-N 3.43Å; G1087-G1090 PolarHBondContact O-N 3.14Å
1088P76.8Confident84.3Confident96 Ų9656.8 Ų56.862%0.62331%0.31SS*.THydrogen-bonded Turntrans-55-31-175.6-2633.7000114.8
1089N80.2Confident84.4Confident159 Ų15956.4 Ų56.485%0.8531%0.31SS*.THydrogen-bonded Turntrans-109.417.3177.4-61.1-26.2000112.3G1087G1087-N1089 PolarHBondContact O-N 3.43Å
1090G83.3Confident84.7Confident11 Ų1154.1 Ų54.111%0.11330%0.298CS..  trans-77.2134.6-174.100000112.7N1084 I1085 G1087 Y1092 L1093N1084-G1090 WeakPolarHBondContact O-CA 3.37Å; I1085-G1090 CarbonylContact O-C 3.35Å; G1087-G1090 PolarHBondContact O-N 3.14Å; G1090-Y1092 PolarHBondContact O-N 3.4Å; G1090-L1093 PolarHBondContact O-N 2.9Å; G1090-L1093 VanDerWaalsContact O-N 3.16Å
1091N84.4Confident84.9Confident148 Ų14858.1 Ų58.179%0.79131%0.312SS*.THydrogen-bonded Turntrans-62.1-20.3-174.3-67-14.8000113.7N1084N1084-N1091 PolarHBondContact O-N 3.34Å
1092Y88.2Confident85.3Confident39 Ų3957.4 Ų57.415%0.15330%0.304CS..THydrogen-bonded Turntrans-109.84.8-178.4-67.7-86.6000114.1E1042 N1045 E1046 A1049 I1085 G1090 N1094 F1095 I1096E1042-Y1092 PolarHBondContact O-OH 3.27Å; N1045-Y1092 HydrophobicContact CB-CE2 3.88Å; E1046-Y1092 HydrophobicContact CB-CE1 3.92Å; E1046-Y1092 WeakPolarHBondContact CB-OH 3.47Å; E1046-Y1092 HydrophobicContact CG-CE1 3.85Å; A1049-Y1092 HydrophobicContact CB-CD1 3.98Å; A1049-Y1092 HydrophobicContact CB-CD2 4.42Å; A1049-Y1092 HydrophobicContact CB-CG 3.76Å; I1085-Y1092 HydrophobicContact CB-CD2 4.14Å; I1085-Y1092 HydrophobicContact CG2-CD2 4.29Å; I1085-Y1092 CarbonylContact O-C 3.55Å; I1085-Y1092 VanDerWaalsContact O-CA 3.28Å; I1085-Y1092 WeakPolarHBondContact O-CA 3.21Å; I1085-Y1092 WeakPolarHBondContact O-CB 3.28Å; I1085-Y1092 PolarHBondContact O-N 3Å; G1090-Y1092 PolarHBondContact O-N 3.4Å; Y1092-N1094 VanDerWaalsContact C-N 3.35Å; Y1092-N1094 PolarHBondContact O-N 3.02Å; Y1092-F1095 HydrophobicContact CD1-CB 4.36Å; Y1092-F1095 HydrophobicContact CD1-CD1 4.24Å; Y1092-F1095 HydrophobicContact CD1-CG 4.45Å; Y1092-F1095 WeakPolarHBondContact O-CB 3.44Å; Y1092-F1095 PolarHBondContact O-N 3.07Å; Y1092-F1095 VanDerWaalsContact O-N 3.17Å; Y1092-I1096 VanDerWaalsContact O-CG1 3.31Å; Y1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; Y1092-I1096 PolarHBondContact O-N 3.18Å
1093L87.6Confident85.5Confident27 Ų2758.1 Ų58.114%0.14131%0.309CS..Hα-helixtrans-57.5-47179.417760.4000111.8I1085 G1090 F1095 I1096 Q1097 F1104I1085-L1093 PolarHBondContact O-N 2.85Å; G1090-L1093 PolarHBondContact O-N 2.9Å; G1090-L1093 VanDerWaalsContact O-N 3.16Å; L1093-F1095 VanDerWaalsContact C-N 3.33Å; L1093-F1095 PolarHBondContact O-N 2.94Å; L1093-I1096 PolarHBondContact O-N 2.72Å; L1093-Q1097 HydrophobicContact CD1-CG 4.1Å; L1093-Q1097 PolarHBondContact O-N 2.74Å; L1093-F1104 HydrophobicContact CD1-CD1 3.96Å; L1093-F1104 HydrophobicContact CD1-CE1 4.37Å
1094N85.1Confident85.9Confident126 Ų12656.7 Ų56.767%0.67430%0.304SS*.Hα-helixtrans-62.6-39.6177.7-71.8-22.8000112.2Y1092 S1098Y1092-N1094 VanDerWaalsContact C-N 3.35Å; Y1092-N1094 PolarHBondContact O-N 3.02Å; N1094-S1098 VanDerWaalsContact O-CB 3.24Å; N1094-S1098 WeakPolarHBondContact O-CB 3.21Å; N1094-S1098 PolarHBondContact O-N 2.59Å; N1094-S1098 PolarHBondContact O-OG 3.26Å
1095F87Confident86.1Confident66 Ų6652.9 Ų52.929%0.28929%0.285SS..Hα-helixtrans-61.8-45174.9165.5-101.4000111.1A1049 R1050 V1053 Y1092 L1093 S1098 T1099A1049-F1095 HydrophobicContact CB-CD1 4.26Å; A1049-F1095 HydrophobicContact CB-CE1 4.37Å; R1050-F1095 HydrophobicContact CG-CE1 4.01Å; R1050-F1095 HydrophobicContact CG-CZ 3.93Å; V1053-F1095 HydrophobicContact CG2-CE1 4.29Å; Y1092-F1095 HydrophobicContact CD1-CB 4.36Å; Y1092-F1095 HydrophobicContact CD1-CD1 4.24Å; Y1092-F1095 HydrophobicContact CD1-CG 4.45Å; Y1092-F1095 WeakPolarHBondContact O-CB 3.44Å; Y1092-F1095 PolarHBondContact O-N 3.07Å; Y1092-F1095 VanDerWaalsContact O-N 3.17Å; L1093-F1095 VanDerWaalsContact C-N 3.33Å; L1093-F1095 PolarHBondContact O-N 2.94Å; F1095-S1098 PolarHBondContact O-OG 3.12Å; F1095-T1099 VanDerWaalsContact O-CB 3.27Å; F1095-T1099 WeakPolarHBondContact O-CB 3.41Å; F1095-T1099 PolarHBondContact O-N 3.4Å; F1095-T1099 PolarHBondContact O-OG1 2.6Å
1096I88.5Confident86.2Confident0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-63.9-51.8179.4-66.4162.3000110.3A1049 L1052 V1053 I1056 A1086 Y1092 L1093 S1098 T1099 I1100 F1104A1049-I1096 HydrophobicContact CB-CD1 4.35Å; A1049-I1096 HydrophobicContact CB-CG1 4.45Å; L1052-I1096 HydrophobicContact CD2-CD1 4.08Å; V1053-I1096 HydrophobicContact CG2-CB 4.15Å; V1053-I1096 HydrophobicContact CG2-CG1 3.88Å; V1053-I1096 HydrophobicContact CG2-CG2 4.02Å; I1056-I1096 HydrophobicContact CD1-CG2 4.35Å; A1086-I1096 HydrophobicContact CB-CD1 3.46Å; A1086-I1096 VanDerWaalsContact CB-CD1 3.46Å; Y1092-I1096 VanDerWaalsContact O-CG1 3.31Å; Y1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; Y1092-I1096 PolarHBondContact O-N 3.18Å; L1093-I1096 PolarHBondContact O-N 2.72Å; I1096-S1098 PolarHBondContact O-N 2.94Å; I1096-T1099 PolarHBondContact O-N 3.14Å; I1096-I1100 HydrophobicContact CG2-CD1 4.08Å; I1096-I1100 VanDerWaalsContact O-CG1 3.29Å; I1096-I1100 WeakPolarHBondContact O-CG1 3.3Å; I1096-I1100 PolarHBondContact O-N 2.73Å; I1096-F1104 HydrophobicContact CB-CD1 4.42Å; I1096-F1104 HydrophobicContact CD1-CE1 4.31Å; I1096-F1104 HydrophobicContact CG2-CD1 3.56Å; I1096-F1104 HydrophobicContact CG2-CE1 3.75Å; I1096-F1104 HydrophobicContact CG2-CG 4.08Å; I1096-F1104 HydrophobicContact CG2-CZ 4.39Å
1097Q87.1Confident86.2Confident65 Ų6553.7 Ų53.730%0.30429%0.29SS..Hα-helixtrans-62.4-43.8-178.2-75.5-175.5-18.500112.7L1093 T1099 K1101 F1104L1093-Q1097 HydrophobicContact CD1-CG 4.1Å; L1093-Q1097 PolarHBondContact O-N 2.74Å; Q1097-T1099 VanDerWaalsContact C-N 3.31Å; Q1097-T1099 PolarHBondContact O-N 3.21Å; Q1097-K1101 WeakPolarHBondContact O-CA 3.48Å; Q1097-K1101 PolarHBondContact O-N 3.25Å; Q1097-F1104 HydrophobicContact CG-CB 4.13Å; Q1097-F1104 PolarHBondContact NE2-O 3.2Å
1098S84.6Confident86.3Confident76 Ų7657.9 Ų57.953%0.53131%0.305SS..Hα-helixtrans-64.7-35.2176.2580000112.5N1094 F1095 I1096 K1101N1094-S1098 VanDerWaalsContact O-CB 3.24Å; N1094-S1098 WeakPolarHBondContact O-CB 3.21Å; N1094-S1098 PolarHBondContact O-N 2.59Å; N1094-S1098 PolarHBondContact O-OG 3.26Å; F1095-S1098 PolarHBondContact O-OG 3.12Å; I1096-S1098 PolarHBondContact O-N 2.94Å; S1098-K1101 WeakPolarHBondContact O-CG 3.44Å
1099T85Confident86.5Confident63 Ų6358.3 Ų58.339%0.38730%0.299SS..Hα-helixtrans-73.8-41.2179.5-55.80000112.4V1053 F1095 I1096 Q1097V1053-T1099 HydrophobicContact CG1-CG2 3.64Å; F1095-T1099 VanDerWaalsContact O-CB 3.27Å; F1095-T1099 WeakPolarHBondContact O-CB 3.41Å; F1095-T1099 PolarHBondContact O-N 3.4Å; F1095-T1099 PolarHBondContact O-OG1 2.6Å; I1096-T1099 PolarHBondContact O-N 3.14Å; Q1097-T1099 VanDerWaalsContact C-N 3.31Å; Q1097-T1099 PolarHBondContact O-N 3.21Å
1100I88.3Confident86.3Confident3 Ų354.6 Ų54.62%0.01529%0.285CS..Hα-helixtrans-83.4-17.5179.269.6-168.7000113.1V1053 I1056 I1073 I1096 Q1102 F1104V1053-I1100 HydrophobicContact CG1-CG2 4.11Å; V1053-I1100 HydrophobicContact CG2-CG2 4.48Å; I1056-I1100 HydrophobicContact CG2-CG2 4.07Å; I1073-I1100 HydrophobicContact CD1-CD1 4.04Å; I1096-I1100 HydrophobicContact CG2-CD1 4.08Å; I1096-I1100 VanDerWaalsContact O-CG1 3.29Å; I1096-I1100 WeakPolarHBondContact O-CG1 3.3Å; I1096-I1100 PolarHBondContact O-N 2.73Å; I1100-Q1102 WeakPolarHBondContact CD1-O 3.4Å; I1100-Q1102 HydrophobicContact CG1-CB 4.35Å; I1100-Q1102 WeakPolarHBondContact CG1-O 3.49Å; I1100-Q1102 PolarHBondContact O-N 2.88Å; I1100-F1104 HydrophobicContact CD1-CB 3.41Å; I1100-F1104 VanDerWaalsContact CD1-CB 3.41Å; I1100-F1104 HydrophobicContact CD1-CD2 4.38Å; I1100-F1104 HydrophobicContact CD1-CG 3.94Å
1101K85.9Confident85.8Confident171 Ų17157.6 Ų57.674%0.74331%0.305SS*.THydrogen-bonded Turntrans56.229.5-178-56.4-176.7179.6-177.30113.9Q1097 S1098Q1097-K1101 WeakPolarHBondContact O-CA 3.48Å; Q1097-K1101 PolarHBondContact O-N 3.25Å; S1098-K1101 WeakPolarHBondContact O-CG 3.44Å
1102Q89.1Confident85.2Confident16 Ų1652.4 Ų52.48%0.07528%0.276CS..SBendtrans-142.5151.8-178.1-62.1-67.5-25.200109.7N1069 I1071 I1073 I1100 F1104N1069-Q1102 PolarHBondContact O-NE2 3.23Å; I1071-Q1102 HydrophobicContact CD1-CG 4.21Å; I1071-Q1102 HydrophobicContact CG1-CB 4.12Å; I1071-Q1102 HydrophobicContact CG1-CG 3.67Å; I1071-Q1102 VanDerWaalsContact N-OE1 3.16Å; I1071-Q1102 PolarHBondContact O-OE1 2.92Å; I1071-Q1102 VanDerWaalsContact O-OE1 3.09Å; I1073-Q1102 HydrophobicContact CD1-CB 4.06Å; I1100-Q1102 WeakPolarHBondContact CD1-O 3.4Å; I1100-Q1102 HydrophobicContact CG1-CB 4.35Å; I1100-Q1102 WeakPolarHBondContact CG1-O 3.49Å; I1100-Q1102 PolarHBondContact O-N 2.88Å; Q1102-F1104 PolarHBondContact O-N 3.06Å
1103P88.9Confident84Confident16 Ų1657.6 Ų57.610%0.10431%0.307CS..  trans-57.8133.4173.6-22.230.9000112.3I1071 V1072 I1073 I1125 P1127 R1155I1071-P1103 WeakPolarHBondContact O-CD 3.24Å; V1072-P1103 HydrophobicContact CG2-CB 4.25Å; V1072-P1103 HydrophobicContact CG2-CG 4.31Å; I1073-P1103 PolarHBondContact N-O 3.25Å; P1103-I1125 WeakPolarHBondContact CB-O 3.44Å; P1103-P1127 HydrophobicContact CG-CG 3.64Å; P1103-R1155 VanDerWaalsContact CD-NH2 3.32Å
1104F91.9Very high83.1Confident1 Ų160.1 Ų60.10%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-146.9142.7-176.1168.1-94.1000112.3L1052 I1056 I1073 A1075 A1086 L1093 I1096 Q1097 I1100 Q1102 V1106L1052-F1104 HydrophobicContact CD2-CE1 4.48Å; L1052-F1104 HydrophobicContact CD2-CZ 3.9Å; L1052-F1104 HydrophobicContact CG-CZ 4.43Å; I1056-F1104 HydrophobicContact CD1-CD2 3.76Å; I1056-F1104 HydrophobicContact CD1-CE2 3.52Å; I1056-F1104 HydrophobicContact CD1-CZ 4.17Å; I1073-F1104 HydrophobicContact CB-CD2 4.03Å; I1073-F1104 HydrophobicContact CG2-CD2 3.81Å; I1073-F1104 HydrophobicContact CG2-CE2 4.3Å; I1073-F1104 VanDerWaalsContact O-CA 3.31Å; I1073-F1104 WeakPolarHBondContact O-CA 3.31Å; A1075-F1104 HydrophobicContact CB-CE2 3.76Å; A1075-F1104 HydrophobicContact CB-CZ 3.9Å; A1086-F1104 HydrophobicContact CB-CE1 4.14Å; L1093-F1104 HydrophobicContact CD1-CD1 3.96Å; L1093-F1104 HydrophobicContact CD1-CE1 4.37Å; I1096-F1104 HydrophobicContact CB-CD1 4.42Å; I1096-F1104 HydrophobicContact CD1-CE1 4.31Å; I1096-F1104 HydrophobicContact CG2-CD1 3.56Å; I1096-F1104 HydrophobicContact CG2-CE1 3.75Å; I1096-F1104 HydrophobicContact CG2-CG 4.08Å; I1096-F1104 HydrophobicContact CG2-CZ 4.39Å; Q1097-F1104 HydrophobicContact CG-CB 4.13Å; Q1097-F1104 PolarHBondContact NE2-O 3.2Å; I1100-F1104 HydrophobicContact CD1-CB 3.41Å; I1100-F1104 VanDerWaalsContact CD1-CB 3.41Å; I1100-F1104 HydrophobicContact CD1-CD2 4.38Å; I1100-F1104 HydrophobicContact CD1-CG 3.94Å; Q1102-F1104 PolarHBondContact O-N 3.06Å; F1104-V1106 HydrophobicContact CE1-CG2 3.9Å; F1104-V1106 HydrophobicContact CZ-CG2 3.67Å
1105S89.5Confident82Confident25 Ų2559.2 Ų59.218%0.17532%0.315CS..EExtended strand (participates in β ladder)trans-152.1160.1173.2-170.80000112.5I1073 L1074 A1075I1073-S1105 PolarHBondContact O-N 3.44Å; L1074-S1105 WeakPolarHBondContact CA-O 3.43Å; A1075-S1105 PolarHBondContact N-O 2.94Å
1106V88.9Confident81Confident5 Ų560.2 Ų60.23%0.0333%0.326CS..EExtended strand (participates in β ladder)trans-109.4128.8176.9-173.50000110.3A1075 T1077 Y1083 A1086 F1104A1075-V1106 HydrophobicContact CB-CG2 4.18Å; A1075-V1106 CarbonylContact O-C 3.46Å; A1075-V1106 VanDerWaalsContact O-CA 3.22Å; A1075-V1106 WeakPolarHBondContact O-CA 3.37Å; T1077-V1106 HydrophobicContact CG2-CG1 3.78Å; Y1083-V1106 HydrophobicContact CD2-CG1 4.45Å; Y1083-V1106 HydrophobicContact CE1-CG1 4.47Å; Y1083-V1106 HydrophobicContact CE2-CG1 3.82Å; Y1083-V1106 PolarHBondContact OH-O 3.2Å; A1086-V1106 HydrophobicContact CB-CG2 3.63Å; A1086-V1106 WeakPolarHBondContact O-CG2 2.92Å; F1104-V1106 HydrophobicContact CE1-CG2 3.9Å; F1104-V1106 HydrophobicContact CZ-CG2 3.67Å
1107I86.7Confident80.3Confident14 Ų1462 Ų627%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-118.9136.7-178.1-52.9166.4000111.6L1074 A1075 I1076 T1077 Y1083 Q1109 I1112 C1121L1074-I1107 HydrophobicContact CB-CD1 4.25Å; L1074-I1107 HydrophobicContact CD1-CD1 3.56Å; L1074-I1107 HydrophobicContact CD2-CD1 3.71Å; L1074-I1107 HydrophobicContact CD2-CG1 4.32Å; L1074-I1107 HydrophobicContact CG-CD1 4.04Å; A1075-I1107 PolarHBondContact O-N 3.04Å; I1076-I1107 VanDerWaalsContact CA-O 3.28Å; I1076-I1107 WeakPolarHBondContact CA-O 3.47Å; I1076-I1107 HydrophobicContact CG1-CB 4.4Å; T1077-I1107 PolarHBondContact N-O 3.4Å; T1077-I1107 VanDerWaalsContact N-O 3.11Å; Y1083-I1107 WeakPolarHBondContact OH-CA 3.39Å; Y1083-I1107 PolarHBondContact OH-N 2.86Å; Y1083-I1107 PolarHBondContact OH-O 2.72Å; I1107-Q1109 PolarHBondContact O-N 3.02Å; I1107-I1112 HydrophobicContact CG2-CD1 3.9Å; I1107-I1112 HydrophobicContact CG2-CG1 3.81Å; I1107-C1121 HydrophobicContact CD1-CB 3.29Å; I1107-C1121 HydrophobicContact CG1-CB 4.12Å
1108R85.1Confident80Confident88 Ų8859.3 Ų59.333%0.33232%0.323SS..  trans-76.2128.1-175.4-80.8-165.9-178.1-142-5.8105.2T1077 D1080 Y1083 S1110 S1111T1077-R1108 WeakPolarHBondContact O-CA 3.42Å; D1080-R1108 IonicContact OD1-CZ 3.39Å; D1080-R1108 IonicContact OD1-NH1 3.41Å; D1080-R1108 PolarHBondContact OD1-NH1 2.87Å; D1080-R1108 IonicContact OD1-NH2 2.82Å; D1080-R1108 PolarHBondContact OD1-NH2 2.92Å; Y1083-R1108 HydrophobicContact CD1-CG 4.49Å; Y1083-R1108 HydrophobicContact CD2-CG 3.95Å; Y1083-R1108 HydrophobicContact CE1-CG 3.86Å; Y1083-R1108 HydrophobicContact CE2-CB 4.22Å; Y1083-R1108 HydrophobicContact CE2-CG 3.21Å; Y1083-R1108 WeakPolarHBondContact OH-CA 3.29Å; Y1083-R1108 WeakPolarHBondContact OH-CG 3.47Å; Y1083-R1108 PolarHBondContact OH-N 2.93Å; R1108-S1110 PolarHBondContact O-N 3.49Å; R1108-S1111 WeakPolarHBondContact O-CA 3.36Å; R1108-S1111 WeakPolarHBondContact O-CB 3.43Å; R1108-S1111 PolarHBondContact O-N 3.21Å
1109Q80.8Confident79.9Confident106 Ų10661.1 Ų61.150%0.49532%0.318SS..G310 helixtrans-58.4-37.6179.1-171.3170.75.200110.4I1076 T1077 D1078 I1107 S1111 I1112I1076-Q1109 HydrophobicContact CG2-CB 3.69Å; I1076-Q1109 HydrophobicContact CG2-CG 4.01Å; T1077-Q1109 PolarHBondContact O-N 3.47Å; D1078-Q1109 PolarHBondContact OD1-N 2.74Å; I1107-Q1109 PolarHBondContact O-N 3.02Å; Q1109-S1111 PolarHBondContact O-N 3.35Å; Q1109-S1111 VanDerWaalsContact O-N 3.15Å; Q1109-I1112 PolarHBondContact O-N 3.07Å; Q1109-I1112 VanDerWaalsContact O-N 3.15Å
1110S76.6Confident79.8Confident80 Ų8064.3 Ų64.356%0.55933%0.329SS*.G310 helixtrans-60.2-15171.450.50000115.9D1078 R1108D1078-S1110 WeakPolarHBondContact OD1-CB 3.42Å; D1078-S1110 PolarHBondContact OD1-N 2.81Å; D1078-S1110 PolarHBondContact OD1-OG 3.09Å; D1078-S1110 PolarHBondContact OD2-N 3.28Å; R1108-S1110 PolarHBondContact O-N 3.49Å
1111S72.5Confident79.5Confident75 Ų7566.1 Ų66.152%0.52434%0.341SS..G310 helixtrans-97.41.6177.3-57.20000113.8R1108 Q1109R1108-S1111 WeakPolarHBondContact O-CA 3.36Å; R1108-S1111 WeakPolarHBondContact O-CB 3.43Å; R1108-S1111 PolarHBondContact O-N 3.21Å; Q1109-S1111 PolarHBondContact O-N 3.35Å; Q1109-S1111 VanDerWaalsContact O-N 3.15Å
1112I71.2Confident79.5Confident38 Ų3858 Ų5820%0.19531%0.306CS..  trans-104.9106.6-177.3-58.7169.7000108.9I1076 I1107 Q1109 N1114 D1117 I1118I1076-I1112 HydrophobicContact CB-CD1 4.35Å; I1076-I1112 HydrophobicContact CD1-CD1 3.57Å; I1076-I1112 HydrophobicContact CG1-CD1 3.8Å; I1076-I1112 HydrophobicContact CG2-CD1 3.61Å; I1107-I1112 HydrophobicContact CG2-CD1 3.9Å; I1107-I1112 HydrophobicContact CG2-CG1 3.81Å; Q1109-I1112 PolarHBondContact O-N 3.07Å; Q1109-I1112 VanDerWaalsContact O-N 3.15Å; I1112-N1114 WeakPolarHBondContact CG2-O 2.95Å; I1112-D1117 HydrophobicContact CG2-CB 4.47Å; I1112-I1118 HydrophobicContact CD1-CG1 4.13Å; I1112-I1118 HydrophobicContact CG1-CG1 4.46Å; I1112-I1118 HydrophobicContact CG2-CD1 4.06Å; I1112-I1118 HydrophobicContact CG2-CG1 3.73Å
1113N64.5Low79.4Confident148 Ų14863.7 Ų63.779%0.79133%0.33SS*.SBendtrans-91.3-26.2176.6-67.9-39000112.1D1117N1113-D1117 WeakPolarHBondContact CA-OD2 3.38Å; N1113-D1117 WeakPolarHBondContact CB-OD2 3.14Å; N1113-D1117 PolarHBondContact N-OD2 3.48Å
1114N67.1Low79.2Confident81 Ų8167.4 Ų67.443%0.43336%0.357SS..SBendtrans-156.5178.2175.663.436.1000113.1I1112 V1116 D1117I1112-N1114 WeakPolarHBondContact CG2-O 2.95Å; N1114-V1116 PolarHBondContact O-N 3.42Å; N1114-V1116 VanDerWaalsContact OD1-CA 3.31Å; N1114-V1116 WeakPolarHBondContact OD1-CA 3.22Å; N1114-V1116 WeakPolarHBondContact OD1-CB 3.43Å; N1114-V1116 PolarHBondContact OD1-N 3.31Å; N1114-D1117 PolarHBondContact N-OD2 2.94Å; N1114-D1117 WeakPolarHBondContact O-CB 3.19Å; N1114-D1117 PolarHBondContact O-N 2.9Å; N1114-D1117 PolarHBondContact OD1-N 2.93Å; N1114-D1117 PolarHBondContact OD1-OD2 2.83Å
1115I62.2Low79Confident107 Ų10769.2 Ų69.255%0.54937%0.366SS..Hα-helixtrans-66.1-20.5178-154.9164.8000113.5D1117 I1118 R1119I1115-D1117 VanDerWaalsContact C-N 3.34Å; I1115-I1118 PolarHBondContact O-N 3.49Å; I1115-R1119 PolarHBondContact O-N 2.99Å
1116V66.7Low78.8Confident86 Ų8669.3 Ų69.352%0.52137%0.365SS..Hα-helixtrans-67.6-39.2177.1-174.80000109.6N1114 I1118 R1119 Q1120N1114-V1116 PolarHBondContact O-N 3.42Å; N1114-V1116 VanDerWaalsContact OD1-CA 3.31Å; N1114-V1116 WeakPolarHBondContact OD1-CA 3.22Å; N1114-V1116 WeakPolarHBondContact OD1-CB 3.43Å; N1114-V1116 PolarHBondContact OD1-N 3.31Å; V1116-I1118 VanDerWaalsContact C-N 3.31Å; V1116-I1118 PolarHBondContact O-N 3.44Å; V1116-R1119 PolarHBondContact O-N 3.47Å; V1116-Q1120 WeakPolarHBondContact O-CB 3.28Å; V1116-Q1120 PolarHBondContact O-N 2.87Å
1117D72.9Confident78.5Confident39 Ų3971.5 Ų71.521%0.20938%0.379CS..Hα-helixtrans-61.1-38.9178.1-58.7-32.2000112.1I1112 N1113 N1114 I1115 Q1120 C1121I1112-D1117 HydrophobicContact CG2-CB 4.47Å; N1113-D1117 WeakPolarHBondContact CA-OD2 3.38Å; N1113-D1117 WeakPolarHBondContact CB-OD2 3.14Å; N1113-D1117 PolarHBondContact N-OD2 3.48Å; N1114-D1117 PolarHBondContact N-OD2 2.94Å; N1114-D1117 WeakPolarHBondContact O-CB 3.19Å; N1114-D1117 PolarHBondContact O-N 2.9Å; N1114-D1117 PolarHBondContact OD1-N 2.93Å; N1114-D1117 PolarHBondContact OD1-OD2 2.83Å; I1115-D1117 VanDerWaalsContact C-N 3.34Å; D1117-Q1120 PolarHBondContact O-N 2.8Å; D1117-C1121 WeakPolarHBondContact O-CB 3.44Å; D1117-C1121 PolarHBondContact O-N 3.05Å; D1117-C1121 PolarHBondContact O-SG 2.82Å
1118I81.6Confident78.3Confident7 Ų778.7 Ų78.74%0.03642%0.417CS..Hα-helixtrans-64.8-48.6177.2-59.3178.1000110.7L1074 I1076 I1112 I1115 V1116 Q1120 C1121 A1122 I1151 F1153L1074-I1118 HydrophobicContact CD1-CG2 3.87Å; L1074-I1118 WeakPolarHBondContact CD1-O 3.31Å; I1076-I1118 HydrophobicContact CD1-CD1 4.09Å; I1076-I1118 HydrophobicContact CD1-CG1 4.43Å; I1112-I1118 HydrophobicContact CD1-CG1 4.13Å; I1112-I1118 HydrophobicContact CG1-CG1 4.46Å; I1112-I1118 HydrophobicContact CG2-CD1 4.06Å; I1112-I1118 HydrophobicContact CG2-CG1 3.73Å; I1115-I1118 PolarHBondContact O-N 3.49Å; V1116-I1118 VanDerWaalsContact C-N 3.31Å; V1116-I1118 PolarHBondContact O-N 3.44Å; I1118-Q1120 VanDerWaalsContact C-N 3.31Å; I1118-Q1120 PolarHBondContact O-N 3.45Å; I1118-C1121 PolarHBondContact O-N 3.01Å; I1118-A1122 PolarHBondContact O-N 3.1Å; I1118-I1151 HydrophobicContact CD1-CD1 4.06Å; I1118-I1151 HydrophobicContact CG2-CD1 3.65Å; I1118-F1153 HydrophobicContact CG2-CE2 4.07Å; I1118-F1153 HydrophobicContact CG2-CZ 3.92Å
1119R82.2Confident78.2Confident115 Ų11576.3 Ų76.343%0.43442%0.42SS..Hα-helixtrans-65.2-35.9177.8-94.8-175.1161.8146.9-7.6112I1115 V1116 A1122 K1123 L1132 T1133 F1153I1115-R1119 PolarHBondContact O-N 2.99Å; V1116-R1119 PolarHBondContact O-N 3.47Å; R1119-A1122 PolarHBondContact O-N 2.82Å; R1119-K1123 WeakPolarHBondContact O-CG 3.15Å; R1119-K1123 PolarHBondContact O-N 2.82Å; R1119-L1132 HydrophobicContact CG-CD2 4.01Å; R1119-T1133 PolarHBondContact NH2-O 2.93Å; R1119-F1153 HydrophobicContact CG-CE1 3.91Å; R1119-F1153 HydrophobicContact CG-CZ 4.27Å
1120Q83.2Confident78.5Confident129 Ų12975 Ų7560%0.60341%0.411SS*.Hα-helixtrans-67-40.8177.2-170.2169.4-3.200111.5V1116 D1117 I1118 K1123 S1124V1116-Q1120 WeakPolarHBondContact O-CB 3.28Å; V1116-Q1120 PolarHBondContact O-N 2.87Å; D1117-Q1120 PolarHBondContact O-N 2.8Å; I1118-Q1120 VanDerWaalsContact C-N 3.31Å; I1118-Q1120 PolarHBondContact O-N 3.45Å; Q1120-K1123 WeakPolarHBondContact O-CB 3.31Å; Q1120-K1123 PolarHBondContact O-N 2.9Å; Q1120-S1124 PolarHBondContact O-N 2.83Å
1121C82.7Confident78.9Confident41 Ų4175.3 Ų75.328%0.27740%0.403SS..Hα-helixtrans-67.3-36.2172.3-67.90000112.7L1074 I1107 D1117 I1118 K1123 S1124L1074-C1121 HydrophobicContact CD1-CB 4.48Å; I1107-C1121 HydrophobicContact CD1-CB 3.29Å; I1107-C1121 HydrophobicContact CG1-CB 4.12Å; D1117-C1121 WeakPolarHBondContact O-CB 3.44Å; D1117-C1121 PolarHBondContact O-N 3.05Å; D1117-C1121 PolarHBondContact O-SG 2.82Å; I1118-C1121 PolarHBondContact O-N 3.01Å; C1121-K1123 VanDerWaalsContact C-N 3.29Å; C1121-K1123 PolarHBondContact O-N 2.82Å; C1121-S1124 PolarHBondContact O-N 2.86Å; C1121-S1124 PolarHBondContact O-OG 3.08Å
1122A85.5Confident79.5Confident0 Ų072.7 Ų72.70%038%0.383CS..Hα-helixtrans-63.3-38.517300000111.3V1072 L1074 I1118 R1119 I1125 L1126 L1132 F1153V1072-A1122 HydrophobicContact CG1-CB 4.36Å; L1074-A1122 HydrophobicContact CD1-CB 3.78Å; L1074-A1122 HydrophobicContact CG-CB 4.41Å; I1118-A1122 PolarHBondContact O-N 3.1Å; R1119-A1122 PolarHBondContact O-N 2.82Å; A1122-I1125 WeakPolarHBondContact O-CG1 3.39Å; A1122-L1126 WeakPolarHBondContact O-CD1 3.31Å; A1122-L1132 HydrophobicContact CB-CD1 3.79Å; A1122-L1132 HydrophobicContact CB-CD2 3.79Å; A1122-L1132 HydrophobicContact CB-CG 4.48Å; A1122-F1153 HydrophobicContact CB-CD2 3.79Å; A1122-F1153 HydrophobicContact CB-CE2 3.92Å; A1122-F1153 HydrophobicContact CB-CG 4.35Å
1123K86Confident80Confident136 Ų13673 Ų7359%0.59139%0.387SS*.Hα-helixtrans-67.7-32.6174.9-76.1-179.3178-171.10113.3R1119 Q1120 C1121 I1125 L1126 L1132R1119-K1123 WeakPolarHBondContact O-CG 3.15Å; R1119-K1123 PolarHBondContact O-N 2.82Å; Q1120-K1123 WeakPolarHBondContact O-CB 3.31Å; Q1120-K1123 PolarHBondContact O-N 2.9Å; C1121-K1123 VanDerWaalsContact C-N 3.29Å; C1121-K1123 PolarHBondContact O-N 2.82Å; K1123-I1125 VanDerWaalsContact C-N 3.26Å; K1123-I1125 PolarHBondContact O-N 2.83Å; K1123-L1126 WeakPolarHBondContact O-CB 3.4Å; K1123-L1126 PolarHBondContact O-N 3.3Å; K1123-L1132 HydrophobicContact CG-CB 4.25Å; K1123-L1132 HydrophobicContact CG-CD2 4.45Å
1124S85.8Confident80.9Confident94 Ų9469.9 Ų69.966%0.65737%0.374SS*.Hα-helixtrans-71.5-19.9-178.368.20000113.9Q1120 C1121Q1120-S1124 PolarHBondContact O-N 2.83Å; C1121-S1124 PolarHBondContact O-N 2.86Å; C1121-S1124 PolarHBondContact O-OG 3.08Å
1125I87.3Confident82Confident40 Ų4069.3 Ų69.321%0.20537%0.368CS..THydrogen-bonded Turntrans-104.68.7176.465.4171.4000113V1072 L1074 P1103 A1122 K1123V1072-I1125 HydrophobicContact CG1-CD1 3.51Å; V1072-I1125 HydrophobicContact CG1-CG1 3.65Å; L1074-I1125 HydrophobicContact CD2-CD1 3.65Å; P1103-I1125 WeakPolarHBondContact CB-O 3.44Å; A1122-I1125 WeakPolarHBondContact O-CG1 3.39Å; K1123-I1125 VanDerWaalsContact C-N 3.26Å; K1123-I1125 PolarHBondContact O-N 2.83Å
1126L85.7Confident83.1Confident27 Ų2766.8 Ų66.814%0.14136%0.358CS..PPolyproline II helixtrans-74.5132.1179.5-133.1108.3000109.7V1072 A1122 K1123 W1130 L1132V1072-L1126 HydrophobicContact CG2-CD1 3.83Å; V1072-L1126 HydrophobicContact CG2-CG 4.26Å; A1122-L1126 WeakPolarHBondContact O-CD1 3.31Å; K1123-L1126 WeakPolarHBondContact O-CB 3.4Å; K1123-L1126 PolarHBondContact O-N 3.3Å; L1126-W1130 HydrophobicContact CD2-CB 3.44Å; L1126-W1130 VanDerWaalsContact CD2-CB 3.44Å; L1126-W1130 WeakPolarHBondContact CD2-O 3.4Å; L1126-W1130 HydrophobicContact CG-CB 4.35Å; L1126-L1132 HydrophobicContact CD1-CB 3.77Å; L1126-L1132 HydrophobicContact CD1-CD1 3.32Å; L1126-L1132 HydrophobicContact CD1-CG 4.18Å
1127P82.8Confident84.2Confident50 Ų5064.1 Ų64.133%0.32534%0.34SS..PPolyproline II helixtrans-65.3149.2174.3-28.941.3000112.2P1103 G1129 W1130P1103-P1127 HydrophobicContact CG-CG 3.64Å; P1127-G1129 PolarHBondContact O-N 2.88Å; P1127-W1130 WeakPolarHBondContact O-CB 3.31Å; P1127-W1130 PolarHBondContact O-N 2.95Å
1128D82.1Confident85.1Confident166 Ų16666.8 Ų66.889%0.88835%0.347SS*.THydrogen-bonded Turntrans-54.6138.2179.5-66.3-32.2000111.9
1129G82Confident85.4Confident38 Ų3867.7 Ų67.739%0.39235%0.353SS..THydrogen-bonded Turntrans80.717.1-178.700000114.9P1127 P1157 T1158P1127-G1129 PolarHBondContact O-N 2.88Å; G1129-P1157 CarbonylContact O-C 3.54Å; G1129-P1157 VanDerWaalsContact O-CA 3.31Å; G1129-P1157 WeakPolarHBondContact O-CA 3.44Å; G1129-T1158 VanDerWaalsContact C-OG1 3.23Å; G1129-T1158 VanDerWaalsContact CA-OG1 3.31Å; G1129-T1158 WeakPolarHBondContact CA-OG1 3.21Å; G1129-T1158 PolarHBondContact O-N 2.78Å; G1129-T1158 PolarHBondContact O-OG1 2.97Å
1130W87.4Confident85.8Confident77 Ų7766.4 Ų66.429%0.29236%0.357SS..EExtended strand (participates in β ladder)trans-121.8155.2173.7-66.178000111.2P1070 L1126 P1127 R1155 I1156 P1157P1070-W1130 HydrophobicContact CB-CE3 4.33Å; P1070-W1130 HydrophobicContact CB-CH2 3.65Å; P1070-W1130 HydrophobicContact CB-CZ3 3.42Å; P1070-W1130 VanDerWaalsContact CB-CZ3 3.42Å; P1070-W1130 HydrophobicContact CG-CH2 4.13Å; P1070-W1130 HydrophobicContact CG-CZ3 3.76Å; L1126-W1130 HydrophobicContact CD2-CB 3.44Å; L1126-W1130 VanDerWaalsContact CD2-CB 3.44Å; L1126-W1130 WeakPolarHBondContact CD2-O 3.4Å; L1126-W1130 HydrophobicContact CG-CB 4.35Å; P1127-W1130 WeakPolarHBondContact O-CB 3.31Å; P1127-W1130 PolarHBondContact O-N 2.95Å; W1130-R1155 HydrophobicContact CD2-CG 4.38Å; W1130-R1155 HydrophobicContact CE3-CB 3.94Å; W1130-R1155 HydrophobicContact CE3-CG 3.64Å; W1130-R1155 HydrophobicContact CZ3-CG 4.1Å; W1130-I1156 CarbonylContact C-O 3.53Å; W1130-I1156 VanDerWaalsContact CA-O 3.31Å; W1130-I1156 WeakPolarHBondContact CA-O 3.45Å; W1130-P1157 HydrophobicContact CE3-CG 4.24Å; W1130-P1157 HydrophobicContact CH2-CG 3.9Å; W1130-P1157 HydrophobicContact CZ2-CG 4.29Å; W1130-P1157 HydrophobicContact CZ3-CG 3.87Å
1131E84.8Confident86Confident87 Ų8760.7 Ų60.741%0.40733%0.332SS..EExtended strand (participates in β ladder)trans-123.8147.1164.9-69.1-162.117500112.1R1155 I1156 T1158 V1161E1131-R1155 CarbonylContact O-C 3.18Å; E1131-R1155 WeakPolarHBondContact O-CA 3.44Å; E1131-R1155 WeakPolarHBondContact O-CB 3.45Å; E1131-I1156 PolarHBondContact N-O 3.01Å; E1131-I1156 PolarHBondContact O-N 3.4Å; E1131-T1158 HydrophobicContact CG-CG2 3.65Å; E1131-V1161 HydrophobicContact CB-CG2 3.69Å; E1131-V1161 HydrophobicContact CG-CG2 3.76Å; E1131-V1161 WeakPolarHBondContact OE2-CG1 3.46Å
1132L86.6Confident86Confident20 Ų2061.9 Ų61.911%0.10534%0.34CS..EExtended strand (participates in β ladder)trans-77.1132174.3-158.287.9000110.1V1072 R1119 A1122 K1123 L1126 F1153V1072-L1132 HydrophobicContact CB-CD1 4.24Å; V1072-L1132 HydrophobicContact CG2-CD1 4.35Å; R1119-L1132 HydrophobicContact CG-CD2 4.01Å; A1122-L1132 HydrophobicContact CB-CD1 3.79Å; A1122-L1132 HydrophobicContact CB-CD2 3.79Å; A1122-L1132 HydrophobicContact CB-CG 4.48Å; K1123-L1132 HydrophobicContact CG-CB 4.25Å; K1123-L1132 HydrophobicContact CG-CD2 4.45Å; L1126-L1132 HydrophobicContact CD1-CB 3.77Å; L1126-L1132 HydrophobicContact CD1-CD1 3.32Å; L1126-L1132 HydrophobicContact CD1-CG 4.18Å; L1132-F1153 HydrophobicContact CD1-CB 3.46Å; L1132-F1153 VanDerWaalsContact CD1-CB 3.46Å; L1132-F1153 HydrophobicContact CD1-CD1 4.36Å; L1132-F1153 HydrophobicContact CD1-CG 3.88Å; L1132-F1153 HydrophobicContact CD2-CB 4.37Å; L1132-F1153 HydrophobicContact CD2-CD1 3.71Å; L1132-F1153 HydrophobicContact CD2-CE1 4.16Å; L1132-F1153 HydrophobicContact CD2-CG 4Å; L1132-F1153 HydrophobicContact CG-CB 3.95Å; L1132-F1153 HydrophobicContact CG-CD1 4.11Å; L1132-F1153 HydrophobicContact CG-CG 4.14Å
1133T81.6Confident85.7Confident45 Ų4562 Ų6228%0.27634%0.341SS..EExtended strand (participates in β ladder)trans-105.4-90.3-178.742.90000112R1119 S1154 I1156R1119-T1133 PolarHBondContact NH2-O 2.93Å; T1133-S1154 PolarHBondContact N-O 2.7Å; T1133-S1154 VanDerWaalsContact OG1-C 3.28Å; T1133-S1154 WeakPolarHBondContact OG1-CB 3.32Å; T1133-S1154 PolarHBondContact OG1-O 2.81Å; T1133-S1154 PolarHBondContact OG1-OG 3.37Å; T1133-I1156 HydrophobicContact CG2-CB 4.45Å; T1133-I1156 HydrophobicContact CG2-CD1 3.63Å; T1133-I1156 HydrophobicContact CG2-CG1 3.65Å; T1133-I1156 HydrophobicContact CG2-CG2 4.12Å
1134T83.3Confident84.8Confident83 Ų8359.6 Ų59.651%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-118.7152.8-174.552.70000111.5V1136 F1153 S1154T1134-V1136 PolarHBondContact O-N 3.43Å; T1134-F1153 VanDerWaalsContact O-CA 3.31Å; T1134-F1153 WeakPolarHBondContact O-CA 3.28Å; T1134-S1154 PolarHBondContact N-OG 3.41Å; T1134-S1154 PolarHBondContact O-N 2.97Å; T1134-S1154 PolarHBondContact O-OG 3.49Å; T1134-S1154 PolarHBondContact OG1-OG 2.9Å
1135E89.7Confident83.8Confident68 Ų6860.3 Ų60.332%0.31834%0.341SS..EExtended strand (participates in β ladder)trans-72.5116.7165.5-174.3173.2133.300107.2R1138 I1151 F1153E1135-R1138 VanDerWaalsContact OE1-CB 3.28Å; E1135-R1138 WeakPolarHBondContact OE1-CB 3.19Å; E1135-R1138 IonicContact OE1-CZ 2.7Å; E1135-R1138 IonicContact OE1-NE 2.81Å; E1135-R1138 PolarHBondContact OE1-NE 3Å; E1135-R1138 IonicContact OE1-NH2 3.15Å; E1135-R1138 PolarHBondContact OE1-NH2 2.76Å; E1135-R1138 IonicContact OE2-CZ 3.84Å; E1135-R1138 IonicContact OE2-NE 2.69Å; E1135-R1138 IonicContact OE2-NH2 3.91Å; E1135-R1138 PolarHBondContact OE2-NH2 2.96Å; E1135-I1151 HydrophobicContact CG-CG2 3.66Å; E1135-F1153 HydrophobicContact CB-CD1 4.02Å; E1135-F1153 HydrophobicContact CB-CE1 3.72Å; E1135-F1153 HydrophobicContact CB-CZ 4.39Å; E1135-F1153 HydrophobicContact CG-CE1 4.17Å; E1135-F1153 HydrophobicContact CG-CZ 4.37Å
1136V86.4Confident83.1Confident55 Ų5561.4 Ų61.433%0.33335%0.348SS..EExtended strand (participates in β ladder)trans-82.6-44.2-177.5-174.90000110.7A1063 L1065 T1134 I1152A1063-V1136 HydrophobicContact CB-CG1 4.11Å; L1065-V1136 HydrophobicContact CD1-CG1 3.98Å; L1065-V1136 HydrophobicContact CD2-CG1 4.24Å; L1065-V1136 HydrophobicContact CG-CG1 4.25Å; T1134-V1136 PolarHBondContact O-N 3.43Å; V1136-I1152 PolarHBondContact N-O 3.38Å
1137I88Confident82.9Confident29 Ų2964 Ų6415%0.14936%0.362CS..EExtended strand (participates in β ladder)trans-155.4146.7178.8-170.2164.7000110.4T1059 K1062 A1063 D1139 I1151 I1152T1059-I1137 HydrophobicContact CG2-CD1 4.26Å; T1059-I1137 HydrophobicContact CG2-CG1 4.44Å; T1059-I1137 HydrophobicContact CG2-CG2 3.75Å; K1062-I1137 HydrophobicContact CB-CD1 4.29Å; K1062-I1137 HydrophobicContact CD-CD1 4.2Å; K1062-I1137 HydrophobicContact CG-CD1 4.11Å; A1063-I1137 HydrophobicContact CB-CB 3.99Å; A1063-I1137 HydrophobicContact CB-CD1 4.03Å; A1063-I1137 HydrophobicContact CB-CG2 3.73Å; I1137-D1139 HydrophobicContact CG1-CB 4.4Å; I1137-I1151 WeakPolarHBondContact O-CA 3.23Å; I1137-I1152 HydrophobicContact CG2-CB 3.84Å; I1137-I1152 HydrophobicContact CG2-CD1 3.83Å; I1137-I1152 HydrophobicContact CG2-CG1 3.81Å; I1137-I1152 PolarHBondContact N-O 3.46Å; I1137-I1152 PolarHBondContact O-N 2.78Å
1138R91.9Very high83.1Confident95 Ų9561.7 Ų61.736%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-124.7124.2164.1174.3-179-55.8-120.83108.6E1135 L1150 I1151E1135-R1138 VanDerWaalsContact OE1-CB 3.28Å; E1135-R1138 WeakPolarHBondContact OE1-CB 3.19Å; E1135-R1138 IonicContact OE1-CZ 2.7Å; E1135-R1138 IonicContact OE1-NE 2.81Å; E1135-R1138 PolarHBondContact OE1-NE 3Å; E1135-R1138 IonicContact OE1-NH2 3.15Å; E1135-R1138 PolarHBondContact OE1-NH2 2.76Å; E1135-R1138 IonicContact OE2-CZ 3.84Å; E1135-R1138 IonicContact OE2-NE 2.69Å; E1135-R1138 IonicContact OE2-NH2 3.91Å; E1135-R1138 PolarHBondContact OE2-NH2 2.96Å; R1138-L1150 CarbonylContact C-O 3.56Å; R1138-L1150 VanDerWaalsContact CA-O 3.31Å; R1138-L1150 WeakPolarHBondContact CA-O 3.44Å; R1138-I1151 HydrophobicContact CB-CG1 4.26Å; R1138-I1151 HydrophobicContact CG-CG1 3.98Å
1139D89.4Confident83.4Confident27 Ų2755.5 Ų55.514%0.14431%0.314CS..EExtended strand (participates in β ladder)trans-140.5119-170.8-164.438000110.4T1059 K1062 I1137 V1141 L1150T1059-D1139 HydrophobicContact CG2-CB 3.57Å; T1059-D1139 PolarHBondContact OG1-OD2 3.45Å; K1062-D1139 IonicContact NZ-OD1 2.88Å; K1062-D1139 PolarHBondContact NZ-OD1 3.34Å; K1062-D1139 IonicContact NZ-OD2 2.73Å; I1137-D1139 HydrophobicContact CG1-CB 4.4Å; D1139-V1141 PolarHBondContact O-N 3.05Å; D1139-L1150 PolarHBondContact N-O 3.04Å; D1139-L1150 PolarHBondContact O-N 3.17Å
1140T90.2Very high83.9Confident87 Ų8753.8 Ų53.853%0.53430%0.295SS..EExtended strand (participates in β ladder)trans-80.4113.2173.9-51.50000109.4N1147 D1149T1140-N1147 HydrophobicContact CG2-CB 3.8Å; T1140-D1149 WeakPolarHBondContact CA-OD1 3.31Å; T1140-D1149 WeakPolarHBondContact CB-OD1 3.28Å; T1140-D1149 VanDerWaalsContact CG2-OD1 3.31Å; T1140-D1149 WeakPolarHBondContact CG2-OD1 3.27Å; T1140-D1149 PolarHBondContact OG1-OD1 3.42Å
1141V86.1Confident84.1Confident10 Ų1050.1 Ų50.16%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-108.5129.4-177.5-65.20000111.4R1055 D1139 I1143 N1147 I1148 L1150R1055-V1141 HydrophobicContact CB-CB 4.05Å; R1055-V1141 HydrophobicContact CB-CG1 4.18Å; R1055-V1141 HydrophobicContact CB-CG2 3.8Å; R1055-V1141 HydrophobicContact CG-CB 4.07Å; R1055-V1141 HydrophobicContact CG-CG2 4.06Å; D1139-V1141 PolarHBondContact O-N 3.05Å; V1141-I1143 HydrophobicContact CG2-CD1 4.33Å; V1141-I1143 PolarHBondContact O-N 3.03Å; V1141-N1147 WeakPolarHBondContact O-CA 3.17Å; V1141-I1148 HydrophobicContact CG2-CB 4.13Å; V1141-I1148 VanDerWaalsContact CG2-O 3.28Å; V1141-I1148 WeakPolarHBondContact CG2-O 3.45Å; V1141-I1148 PolarHBondContact N-O 3.37Å; V1141-I1148 PolarHBondContact O-N 3.41Å; V1141-L1150 HydrophobicContact CB-CD1 4.45Å; V1141-L1150 HydrophobicContact CG1-CD1 3.99Å; V1141-L1150 HydrophobicContact CG2-CD1 3.6Å; V1141-L1150 HydrophobicContact CG2-CG 3.81Å
1142S83.9Confident84.5Confident65 Ų6546 Ų4646%0.45526%0.262SS..EExtended strand (participates in β ladder)trans-80.8120.5175.8-1670000111.4N1147S1142-N1147 WeakPolarHBondContact CA-OD1 3.43Å; S1142-N1147 WeakPolarHBondContact CB-OD1 3.13Å; S1142-N1147 PolarHBondContact OG-OD1 3.44Å; S1142-N1147 VanDerWaalsContact OG-OD1 3.05Å
1143I79.2Confident84.7Confident3 Ų345.1 Ų45.12%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-133.3101.5172.3-54.8166.4000108L1048 E1051 L1052 R1055 Y1082 V1141 D1146 I1148L1048-I1143 HydrophobicContact CD2-CG2 4.38Å; E1051-I1143 HydrophobicContact CB-CG2 4.13Å; E1051-I1143 HydrophobicContact CG-CB 4.48Å; E1051-I1143 HydrophobicContact CG-CG1 4.19Å; E1051-I1143 HydrophobicContact CG-CG2 3.55Å; L1052-I1143 HydrophobicContact CD1-CD1 4.16Å; R1055-I1143 HydrophobicContact CB-CD1 4.26Å; R1055-I1143 HydrophobicContact CG-CD1 3.63Å; R1055-I1143 HydrophobicContact CG-CG1 3.62Å; Y1082-I1143 HydrophobicContact CE1-CG2 4.37Å; Y1082-I1143 WeakPolarHBondContact OH-CB 3.21Å; Y1082-I1143 WeakPolarHBondContact OH-CG2 3.13Å; Y1082-I1143 PolarHBondContact OH-O 3.23Å; V1141-I1143 HydrophobicContact CG2-CD1 4.33Å; V1141-I1143 PolarHBondContact O-N 3.03Å; I1143-D1146 CarbonylContact C-O 3.6Å; I1143-D1146 PolarHBondContact N-O 3.2Å; I1143-D1146 CarbonylContact O-C 3.48Å; I1143-D1146 PolarHBondContact O-N 3.29Å; I1143-I1148 HydrophobicContact CD1-CD1 3.63Å; I1143-I1148 HydrophobicContact CD1-CG1 4.32Å
1144P67.6Low85Confident86 Ų8644.2 Ų44.256%0.55825%0.253SS*.THydrogen-bonded Turntrans-48.4131.2-177.2-28.934.8000112.6
1145P64.6Low85.3Confident108 Ų10841.4 Ų41.470%0.70123%0.233SC*.THydrogen-bonded Turncis-88.77.312.934.2-35.6000117.2L1079L1079-P1145 HydrophobicContact CD1-CG 4.27Å
1146D71.1Confident85Confident64 Ų6439.8 Ų39.834%0.34223%0.226SC..EExtended strand (participates in β ladder)trans-144.6-178.1-168.7-157.64.2000114.4L1079 I1143L1079-D1146 HydrophobicContact CD1-CB 3.19Å; L1079-D1146 VanDerWaalsContact CD1-OD2 3.3Å; L1079-D1146 WeakPolarHBondContact CD1-OD2 3.45Å; L1079-D1146 HydrophobicContact CG-CB 4.36Å; I1143-D1146 CarbonylContact C-O 3.6Å; I1143-D1146 PolarHBondContact N-O 3.2Å; I1143-D1146 CarbonylContact O-C 3.48Å; I1143-D1146 PolarHBondContact O-N 3.29Å
1147N82.2Confident84.8Confident82 Ų8237.9 Ų37.944%0.43922%0.215SC..EExtended strand (participates in β ladder)trans-107.1138173.2-61.8-39.5000110.4T1140 V1141 S1142T1140-N1147 HydrophobicContact CG2-CB 3.8Å; V1141-N1147 WeakPolarHBondContact O-CA 3.17Å; S1142-N1147 WeakPolarHBondContact CA-OD1 3.43Å; S1142-N1147 WeakPolarHBondContact CB-OD1 3.13Å; S1142-N1147 PolarHBondContact OG-OD1 3.44Å; S1142-N1147 VanDerWaalsContact OG-OD1 3.05Å
1148I86.8Confident84.2Confident1 Ų138.6 Ų38.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-115.1132.9177.2-55.4-177.4000108.2L1052 A1075 Y1082 V1141 I1143 L1150L1052-I1148 HydrophobicContact CD1-CD1 4.02Å; A1075-I1148 HydrophobicContact CB-CG2 3.82Å; Y1082-I1148 HydrophobicContact CD1-CD1 3.58Å; Y1082-I1148 HydrophobicContact CD2-CD1 3.77Å; Y1082-I1148 HydrophobicContact CD2-CG1 4.3Å; Y1082-I1148 HydrophobicContact CE1-CD1 3.5Å; Y1082-I1148 VanDerWaalsContact CE1-CD1 3.5Å; Y1082-I1148 HydrophobicContact CE2-CD1 3.66Å; Y1082-I1148 HydrophobicContact CE2-CG1 4.1Å; Y1082-I1148 HydrophobicContact CG-CD1 3.74Å; V1141-I1148 HydrophobicContact CG2-CB 4.13Å; V1141-I1148 VanDerWaalsContact CG2-O 3.28Å; V1141-I1148 WeakPolarHBondContact CG2-O 3.45Å; V1141-I1148 PolarHBondContact N-O 3.37Å; V1141-I1148 PolarHBondContact O-N 3.41Å; I1143-I1148 HydrophobicContact CD1-CD1 3.63Å; I1143-I1148 HydrophobicContact CD1-CG1 4.32Å; I1148-L1150 HydrophobicContact CG2-CD2 4.39Å
1149D89.6Confident83.2Confident36 Ų3641 Ų4119%0.19323%0.231CC..EExtended strand (participates in β ladder)trans-86.5113.1172.7-81.5-15.2000109.8A1075 I1076 T1140A1075-D1149 CarbonylContact C-O 3.53Å; A1075-D1149 WeakPolarHBondContact CA-O 3.31Å; I1076-D1149 HydrophobicContact CB-CB 4.03Å; I1076-D1149 PolarHBondContact N-O 3.09Å; I1076-D1149 PolarHBondContact O-N 3.01Å; T1140-D1149 WeakPolarHBondContact CA-OD1 3.31Å; T1140-D1149 WeakPolarHBondContact CB-OD1 3.28Å; T1140-D1149 VanDerWaalsContact CG2-OD1 3.31Å; T1140-D1149 WeakPolarHBondContact CG2-OD1 3.27Å; T1140-D1149 PolarHBondContact OG1-OD1 3.42Å
1150L92.1Very high82Confident1 Ų144.1 Ų44.11%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-95.8127.2174.8-68.8177000110.3L1052 R1055 I1056 T1059 L1074 A1075 R1138 D1139 V1141 I1148L1052-L1150 HydrophobicContact CD1-CD2 4.31Å; R1055-L1150 HydrophobicContact CB-CD1 3.94Å; I1056-L1150 HydrophobicContact CG1-CD1 4Å; I1056-L1150 HydrophobicContact CG1-CD2 3.87Å; T1059-L1150 HydrophobicContact CG2-CB 4.39Å; L1074-L1150 CarbonylContact O-C 3.42Å; L1074-L1150 WeakPolarHBondContact O-CA 3.46Å; A1075-L1150 HydrophobicContact CB-CD2 3.75Å; R1138-L1150 CarbonylContact C-O 3.56Å; R1138-L1150 VanDerWaalsContact CA-O 3.31Å; R1138-L1150 WeakPolarHBondContact CA-O 3.44Å; D1139-L1150 PolarHBondContact N-O 3.04Å; D1139-L1150 PolarHBondContact O-N 3.17Å; V1141-L1150 HydrophobicContact CB-CD1 4.45Å; V1141-L1150 HydrophobicContact CG1-CD1 3.99Å; V1141-L1150 HydrophobicContact CG2-CD1 3.6Å; V1141-L1150 HydrophobicContact CG2-CG 3.81Å; I1148-L1150 HydrophobicContact CG2-CD2 4.39Å
1151I91.5Very high80.3Confident0 Ų041.3 Ų41.30%023%0.227CC..EExtended strand (participates in β ladder)trans-121.3129.6176.1-52.3169.6000108.9I1073 L1074 I1076 I1118 E1135 I1137 R1138 F1153I1073-I1151 CarbonylContact C-O 3.57Å; I1073-I1151 WeakPolarHBondContact CA-O 3.38Å; L1074-I1151 HydrophobicContact CB-CB 4.46Å; L1074-I1151 PolarHBondContact N-O 3.16Å; L1074-I1151 PolarHBondContact O-N 3.29Å; I1076-I1151 HydrophobicContact CD1-CD1 3.38Å; I1076-I1151 HydrophobicContact CD1-CG1 4.32Å; I1076-I1151 HydrophobicContact CG1-CD1 4.44Å; I1118-I1151 HydrophobicContact CD1-CD1 4.06Å; I1118-I1151 HydrophobicContact CG2-CD1 3.65Å; E1135-I1151 HydrophobicContact CG-CG2 3.66Å; I1137-I1151 WeakPolarHBondContact O-CA 3.23Å; R1138-I1151 HydrophobicContact CB-CG1 4.26Å; R1138-I1151 HydrophobicContact CG-CG1 3.98Å; I1151-F1153 HydrophobicContact CB-CE2 4.2Å; I1151-F1153 HydrophobicContact CG2-CD2 4Å; I1151-F1153 HydrophobicContact CG2-CE2 3.35Å; I1151-F1153 HydrophobicContact CG2-CZ 3.71Å
1152I92.7Very high78.4Confident1 Ų146.4 Ų46.41%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-114126.7175.6-52.8-175.2000108.8T1059 R1060 L1065 I1071 V1072 I1073 V1136 I1137T1059-I1152 HydrophobicContact CG2-CD1 4.02Å; T1059-I1152 HydrophobicContact CG2-CG1 4.46Å; R1060-I1152 HydrophobicContact CB-CD1 4.28Å; L1065-I1152 HydrophobicContact CD1-CD1 4.43Å; L1065-I1152 HydrophobicContact CD1-CG2 3.92Å; I1071-I1152 HydrophobicContact CB-CG2 3.75Å; I1071-I1152 HydrophobicContact CD1-CG2 3.77Å; I1071-I1152 HydrophobicContact CG1-CG2 4.27Å; I1071-I1152 HydrophobicContact CG2-CG2 3.93Å; V1072-I1152 CarbonylContact O-C 3.55Å; V1072-I1152 WeakPolarHBondContact O-CA 3.43Å; I1073-I1152 HydrophobicContact CG1-CG1 4.18Å; I1073-I1152 HydrophobicContact CG1-CG2 4.38Å; I1073-I1152 HydrophobicContact CG2-CG1 4.46Å; V1136-I1152 PolarHBondContact N-O 3.38Å; I1137-I1152 HydrophobicContact CG2-CB 3.84Å; I1137-I1152 HydrophobicContact CG2-CD1 3.83Å; I1137-I1152 HydrophobicContact CG2-CG1 3.81Å; I1137-I1152 PolarHBondContact N-O 3.46Å; I1137-I1152 PolarHBondContact O-N 2.78Å
1153F91.2Very high76.5Confident1 Ų147.9 Ų47.90%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-107.4145.9170.8-66.5-89.5000110.4I1071 V1072 L1074 I1118 R1119 A1122 L1132 T1134 E1135 I1151I1071-F1153 CarbonylContact C-O 3.57Å; I1071-F1153 WeakPolarHBondContact CA-O 3.48Å; I1071-F1153 VanDerWaalsContact CB-O 3.31Å; I1071-F1153 WeakPolarHBondContact CB-O 3.37Å; V1072-F1153 HydrophobicContact CB-CB 4.5Å; V1072-F1153 PolarHBondContact N-O 3.47Å; V1072-F1153 PolarHBondContact O-N 2.94Å; L1074-F1153 HydrophobicContact CD1-CE2 4.01Å; I1118-F1153 HydrophobicContact CG2-CE2 4.07Å; I1118-F1153 HydrophobicContact CG2-CZ 3.92Å; R1119-F1153 HydrophobicContact CG-CE1 3.91Å; R1119-F1153 HydrophobicContact CG-CZ 4.27Å; A1122-F1153 HydrophobicContact CB-CD2 3.79Å; A1122-F1153 HydrophobicContact CB-CE2 3.92Å; A1122-F1153 HydrophobicContact CB-CG 4.35Å; L1132-F1153 HydrophobicContact CD1-CB 3.46Å; L1132-F1153 VanDerWaalsContact CD1-CB 3.46Å; L1132-F1153 HydrophobicContact CD1-CD1 4.36Å; L1132-F1153 HydrophobicContact CD1-CG 3.88Å; L1132-F1153 HydrophobicContact CD2-CB 4.37Å; L1132-F1153 HydrophobicContact CD2-CD1 3.71Å; L1132-F1153 HydrophobicContact CD2-CE1 4.16Å; L1132-F1153 HydrophobicContact CD2-CG 4Å; L1132-F1153 HydrophobicContact CG-CB 3.95Å; L1132-F1153 HydrophobicContact CG-CD1 4.11Å; L1132-F1153 HydrophobicContact CG-CG 4.14Å; T1134-F1153 VanDerWaalsContact O-CA 3.31Å; T1134-F1153 WeakPolarHBondContact O-CA 3.28Å; E1135-F1153 HydrophobicContact CB-CD1 4.02Å; E1135-F1153 HydrophobicContact CB-CE1 3.72Å; E1135-F1153 HydrophobicContact CB-CZ 4.39Å; E1135-F1153 HydrophobicContact CG-CE1 4.17Å; E1135-F1153 HydrophobicContact CG-CZ 4.37Å; I1151-F1153 HydrophobicContact CB-CE2 4.2Å; I1151-F1153 HydrophobicContact CG2-CD2 4Å; I1151-F1153 HydrophobicContact CG2-CE2 3.35Å; I1151-F1153 HydrophobicContact CG2-CZ 3.71Å
1154S88.7Confident74.5Confident26 Ų2655 Ų5518%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-82.6151.1166.351.50000110.6T1133 T1134T1133-S1154 PolarHBondContact N-O 2.7Å; T1133-S1154 VanDerWaalsContact OG1-C 3.28Å; T1133-S1154 WeakPolarHBondContact OG1-CB 3.32Å; T1133-S1154 PolarHBondContact OG1-O 2.81Å; T1133-S1154 PolarHBondContact OG1-OG 3.37Å; T1134-S1154 PolarHBondContact N-OG 3.41Å; T1134-S1154 PolarHBondContact O-N 2.97Å; T1134-S1154 PolarHBondContact O-OG 3.49Å; T1134-S1154 PolarHBondContact OG1-OG 2.9Å
1155R88Confident72.8Confident25 Ų2557.4 Ų57.49%0.09430%0.297CS..EExtended strand (participates in β ladder)trans-131146.8173.556.5171.9170.4151.11.6110.3P1070 I1071 V1072 P1103 W1130 E1131P1070-R1155 HydrophobicContact CB-CG 3.91Å; P1070-R1155 VanDerWaalsContact CG-O 3.31Å; P1070-R1155 WeakPolarHBondContact CG-O 3.36Å; P1070-R1155 WeakPolarHBondContact O-CG 3.37Å; P1070-R1155 PolarHBondContact O-N 2.97Å; I1071-R1155 PolarHBondContact O-NE 3.15Å; I1071-R1155 VanDerWaalsContact O-NE 3.1Å; V1072-R1155 HydrophobicContact CG2-CG 4.41Å; P1103-R1155 VanDerWaalsContact CD-NH2 3.32Å; W1130-R1155 HydrophobicContact CD2-CG 4.38Å; W1130-R1155 HydrophobicContact CE3-CB 3.94Å; W1130-R1155 HydrophobicContact CE3-CG 3.64Å; W1130-R1155 HydrophobicContact CZ3-CG 4.1Å; E1131-R1155 CarbonylContact O-C 3.18Å; E1131-R1155 WeakPolarHBondContact O-CA 3.44Å; E1131-R1155 WeakPolarHBondContact O-CB 3.45Å
1156I83.7Confident70.9Confident34 Ų3461.5 Ų61.517%0.17430%0.304CS..EExtended strand (participates in β ladder)trans-125.1153.8174.159.8176.9000109.4W1130 E1131 T1133 V1161W1130-I1156 CarbonylContact C-O 3.53Å; W1130-I1156 VanDerWaalsContact CA-O 3.31Å; W1130-I1156 WeakPolarHBondContact CA-O 3.45Å; E1131-I1156 PolarHBondContact N-O 3.01Å; E1131-I1156 PolarHBondContact O-N 3.4Å; T1133-I1156 HydrophobicContact CG2-CB 4.45Å; T1133-I1156 HydrophobicContact CG2-CD1 3.63Å; T1133-I1156 HydrophobicContact CG2-CG1 3.65Å; T1133-I1156 HydrophobicContact CG2-CG2 4.12Å; I1156-V1161 HydrophobicContact CD1-CG2 3.62Å; I1156-V1161 HydrophobicContact CG1-CG2 3.69Å
1157P81.4Confident68.8Low14 Ų1464.2 Ų64.29%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-62.1141.5174.5-20.433.1000111.5G1129 W1130 Y1159 E1160 V1161G1129-P1157 CarbonylContact O-C 3.54Å; G1129-P1157 VanDerWaalsContact O-CA 3.31Å; G1129-P1157 WeakPolarHBondContact O-CA 3.44Å; W1130-P1157 HydrophobicContact CE3-CG 4.24Å; W1130-P1157 HydrophobicContact CH2-CG 3.9Å; W1130-P1157 HydrophobicContact CZ2-CG 4.29Å; W1130-P1157 HydrophobicContact CZ3-CG 3.87Å; P1157-Y1159 HydrophobicContact CB-CD1 3.43Å; P1157-Y1159 VanDerWaalsContact CB-CD1 3.43Å; P1157-Y1159 HydrophobicContact CB-CE1 3.09Å; P1157-Y1159 HydrophobicContact CB-CE2 4.29Å; P1157-Y1159 HydrophobicContact CB-CG 4.17Å; P1157-Y1159 HydrophobicContact CG-CD1 4.48Å; P1157-Y1159 HydrophobicContact CG-CE1 3.72Å; P1157-Y1159 PolarHBondContact O-N 3.44Å; P1157-Y1159 VanDerWaalsContact O-N 3.08Å; P1157-E1160 HydrophobicContact CB-CG 4.48Å; P1157-E1160 WeakPolarHBondContact CD-OE2 3.41Å; P1157-E1160 HydrophobicContact CG-CG 4.41Å; P1157-E1160 WeakPolarHBondContact O-CB 3.44Å; P1157-E1160 PolarHBondContact O-N 3.34Å; P1157-V1161 PolarHBondContact O-N 2.96Å
1158T77.2Confident66.1Low44 Ų4468 Ų6827%0.2734%0.337SS..Hα-helixtrans-56.8-26.5179.237.40000113.2G1129 E1131 E1160 V1161 N1162G1129-T1158 VanDerWaalsContact C-OG1 3.23Å; G1129-T1158 VanDerWaalsContact CA-OG1 3.31Å; G1129-T1158 WeakPolarHBondContact CA-OG1 3.21Å; G1129-T1158 PolarHBondContact O-N 2.78Å; G1129-T1158 PolarHBondContact O-OG1 2.97Å; E1131-T1158 HydrophobicContact CG-CG2 3.65Å; T1158-E1160 VanDerWaalsContact C-N 3.33Å; T1158-V1161 WeakPolarHBondContact O-CB 3.38Å; T1158-V1161 PolarHBondContact O-N 3.46Å; T1158-N1162 PolarHBondContact O-N 3.44Å
1159Y71.3Confident63.2Low147 Ų14774.1 Ų74.158%0.57637%0.368SS*.Hα-helixtrans-70.9-27.7174.768.5-100.4000112.9P1157 N1163P1157-Y1159 HydrophobicContact CB-CD1 3.43Å; P1157-Y1159 VanDerWaalsContact CB-CD1 3.43Å; P1157-Y1159 HydrophobicContact CB-CE1 3.09Å; P1157-Y1159 HydrophobicContact CB-CE2 4.29Å; P1157-Y1159 HydrophobicContact CB-CG 4.17Å; P1157-Y1159 HydrophobicContact CG-CD1 4.48Å; P1157-Y1159 HydrophobicContact CG-CE1 3.72Å; P1157-Y1159 PolarHBondContact O-N 3.44Å; P1157-Y1159 VanDerWaalsContact O-N 3.08Å; Y1159-N1163 WeakPolarHBondContact O-CB 3.31Å; Y1159-N1163 PolarHBondContact O-N 3.05Å
1160E62.2Low60.1Low92 Ų9281.5 Ų81.543%0.4340%0.399SS..Hα-helixtrans-76.5-31.9172.9-65.9-167.8155.700111.3P1157 T1158 N1163 Q1164P1157-E1160 HydrophobicContact CB-CG 4.48Å; P1157-E1160 WeakPolarHBondContact CD-OE2 3.41Å; P1157-E1160 HydrophobicContact CG-CG 4.41Å; P1157-E1160 WeakPolarHBondContact O-CB 3.44Å; P1157-E1160 PolarHBondContact O-N 3.34Å; T1158-E1160 VanDerWaalsContact C-N 3.33Å; E1160-N1163 CarbonylContact O-C 3.6Å; E1160-N1163 PolarHBondContact O-N 3.07Å; E1160-Q1164 PolarHBondContact O-N 2.85Å; E1160-Q1164 VanDerWaalsContact O-N 3.14Å
1161V56Low57Low27 Ų2788.3 Ų88.316%0.16443%0.434CS..Hα-helixtrans-63.4-47.8172.5-1760000110.5E1131 I1156 P1157 T1158 N1163 Q1164E1131-V1161 HydrophobicContact CB-CG2 3.69Å; E1131-V1161 HydrophobicContact CG-CG2 3.76Å; E1131-V1161 WeakPolarHBondContact OE2-CG1 3.46Å; I1156-V1161 HydrophobicContact CD1-CG2 3.62Å; I1156-V1161 HydrophobicContact CG1-CG2 3.69Å; P1157-V1161 PolarHBondContact O-N 2.96Å; T1158-V1161 WeakPolarHBondContact O-CB 3.38Å; T1158-V1161 PolarHBondContact O-N 3.46Å; V1161-N1163 PolarHBondContact O-N 3.37Å; V1161-Q1164 WeakPolarHBondContact O-CB 3.44Å; V1161-Q1164 PolarHBondContact O-N 2.6Å
1162N45.8Very low53.8Low118 Ų11894.9 Ų94.963%0.63147%0.469SS*.Hα-helixtrans-71-19.3179.2-75.1-32.6000112.9T1158T1158-N1162 PolarHBondContact O-N 3.44Å
1163N44.1Very low50.5Low96 Ų96100.9 Ų100.951%0.51351%0.506SS..THydrogen-bonded Turntrans-85.8-4.4168.7-91-15.4000113.7Y1159 E1160 V1161 I1165 I1167Y1159-N1163 WeakPolarHBondContact O-CB 3.31Å; Y1159-N1163 PolarHBondContact O-N 3.05Å; E1160-N1163 CarbonylContact O-C 3.6Å; E1160-N1163 PolarHBondContact O-N 3.07Å; V1161-N1163 PolarHBondContact O-N 3.37Å; N1163-I1165 PolarHBondContact O-N 3.02Å; N1163-I1167 WeakPolarHBondContact O-CG1 3.31Å
1164Q36.1Very low47.5Very low151 Ų151106.3 Ų106.371%0.70654%0.539SS*.THydrogen-bonded Turntrans-79.20.7168.2-78.7-177.1-15.900113.3E1160 V1161E1160-Q1164 PolarHBondContact O-N 2.85Å; E1160-Q1164 VanDerWaalsContact O-N 3.14Å; V1161-Q1164 WeakPolarHBondContact O-CB 3.44Å; V1161-Q1164 PolarHBondContact O-N 2.6Å
1165I32.3Very low44.5Very low137 Ų137114.2 Ų114.270%0.70357%0.573SS**SBendtrans-115.7101.9164.3-55.8175.8000107.4N1163N1163-I1165 PolarHBondContact O-N 3.02Å
1166K25.7Very low41.7Very low195 Ų195118.1 Ų118.185%0.84860%0.599SS**  trans89.260.8-174.1-56.9177.1176.8174.60116.4
1167I27.1Very low39.1Very low120 Ų120125.6 Ų125.662%0.61563%0.631SS**  trans-102.788.5140.3-59.4170.5000107N1163 I1169N1163-I1167 WeakPolarHBondContact O-CG1 3.31Å; I1167-I1169 HydrophobicContact CG2-CB 4.49Å; I1167-I1169 HydrophobicContact CG2-CD1 4.45Å; I1167-I1169 HydrophobicContact CG2-CG1 3.46Å; I1167-I1169 VanDerWaalsContact CG2-CG1 3.46Å; I1167-I1169 PolarHBondContact O-N 3.43Å
1168N24.5Very low36.8Very low163 Ų163133 Ų13387%0.87266%0.664SS**  trans-63.494.3148.4-105.4-21.2000105.4K1170N1168-K1170 VanDerWaalsContact C-N 3.25Å; N1168-K1170 PolarHBondContact O-N 3.17Å
1169I26.8Very low34.8Very low128 Ų128137.9 Ų137.966%0.65668%0.677SS**  trans-63.1100.7162.3-60.5-178.3000104.4I1167 I1171I1167-I1169 HydrophobicContact CG2-CB 4.49Å; I1167-I1169 HydrophobicContact CG2-CD1 4.45Å; I1167-I1169 HydrophobicContact CG2-CG1 3.46Å; I1167-I1169 VanDerWaalsContact CG2-CG1 3.46Å; I1167-I1169 PolarHBondContact O-N 3.43Å; I1169-I1171 HydrophobicContact CG2-CG1 4.24Å; I1169-I1171 PolarHBondContact O-N 3.38Å
1170K23.3Very low33.1Very low191 Ų191135.1 Ų135.183%0.8368%0.677SS**  trans-54.998.7150.3-97.6-178173.8179.10104.6N1168 N1172N1168-K1170 VanDerWaalsContact C-N 3.25Å; N1168-K1170 PolarHBondContact O-N 3.17Å; K1170-N1172 PolarHBondContact O-N 2.92Å
1171I26.8Very low32Very low145 Ų145134.9 Ų134.974%0.74468%0.678SS**  trans-60.298.4164.2-62.3171.5000103.6I1169 T1173I1169-I1171 HydrophobicContact CG2-CG1 4.24Å; I1169-I1171 PolarHBondContact O-N 3.38Å; I1171-T1173 VanDerWaalsContact C-N 3.29Å; I1171-T1173 PolarHBondContact O-N 3.3Å
1172N25.4Very low31.1Very low138 Ų138139.5 Ų139.574%0.73870%0.696SS**  trans-56.1110.6155.7-90.7-16.1000104.7K1170 V1174K1170-N1172 PolarHBondContact O-N 2.92Å; N1172-V1174 VanDerWaalsContact C-N 3.28Å; N1172-V1174 PolarHBondContact O-N 3.16Å
1173T23.9Very low30.9Very low127 Ų127138.3 Ų138.378%0.77969%0.693SS**  trans-3795.5158.634.20000109I1171 E1175I1171-T1173 VanDerWaalsContact C-N 3.29Å; I1171-T1173 PolarHBondContact O-N 3.3Å; T1173-E1175 PolarHBondContact O-N 2.91Å
1174V26.4Very low30.6Very low115 Ų115137.7 Ų137.770%0.69769%0.69SS**  trans-75112.3149.1-178.10000103.6N1172 T1176N1172-V1174 VanDerWaalsContact C-N 3.28Å; N1172-V1174 PolarHBondContact O-N 3.16Å; V1174-T1176 HydrophobicContact CB-CG2 4.49Å; V1174-T1176 HydrophobicContact CG1-CG2 3.73Å; V1174-T1176 PolarHBondContact O-N 2.98Å
1175E25.5Very low30.9Very low191 Ų191134.9 Ų134.989%0.89368%0.683SS**  trans-58.583.3161.2-76.2-175.6143.300108.1T1173T1173-E1175 PolarHBondContact O-N 2.91Å
1176T30.2Very low31.2Very low107 Ų107132.6 Ų132.666%0.65667%0.671SS**  trans-89.8107.7156.454.60000106.5V1174 H1178V1174-T1176 HydrophobicContact CB-CG2 4.49Å; V1174-T1176 HydrophobicContact CG1-CG2 3.73Å; V1174-T1176 PolarHBondContact O-N 2.98Å; T1176-H1178 PolarHBondContact O-N 2.92Å
1177K29.6Very low31.6Very low192 Ų192129 Ų12984%0.83566%0.661SS**SBendtrans-55.395.5153.6-72.2176.5176.8175.70106.3
1178H31.9Very low31.9Very low169 Ų169132.4 Ų132.478%0.78267%0.668SS**SBendtrans150.4107.7148.3-73.5-53.6000113.8T1176T1176-H1178 PolarHBondContact O-N 2.92Å
1179R36Very low32.4Very low146 Ų146129 Ų12955%0.55165%0.652SS**  trans22.8137157.5-65.4179.7178.2-174.7-3.2122.8D1201 N1203R1179-D1201 IonicContact NH1-OD2 2.81Å; R1179-N1203 PolarHBondContact NH1-ND2 2.96Å
1180P35.1Very low32.9Very low90 Ų90128.5 Ų128.558%0.58465%0.651SS**  trans-71.6142.9172.130.5-33.2000112.9F1182P1180-F1182 HydrophobicContact CG-CE2 4.27Å
1181I39Very low33.5Very low87 Ų87127.2 Ų127.245%0.44665%0.653SS.*EExtended strand (participates in β ladder)trans-97.2135.4-178.3-59.8171.3000109.4L1199 F1207I1181-L1199 HydrophobicContact CG2-CB 4.38Å; I1181-L1199 HydrophobicContact CG2-CD2 4.3Å; I1181-F1207 HydrophobicContact CD1-CD1 4.04Å; I1181-F1207 HydrophobicContact CD1-CE1 3.7Å; I1181-F1207 HydrophobicContact CD1-CZ 3.97Å; I1181-F1207 HydrophobicContact CG1-CZ 4.5Å
1182F37.9Very low33.9Very low124 Ų124124.8 Ų124.854%0.54465%0.646SS.*EExtended strand (participates in β ladder)trans-112141.7177.3-64.3-90000110.5P1180 C1200P1180-F1182 HydrophobicContact CG-CE2 4.27Å; F1182-C1200 PolarHBondContact N-O 2.94Å; F1182-C1200 PolarHBondContact O-N 2.56Å; F1182-C1200 VanDerWaalsContact O-N 3.11Å; F1182-C1200 VanDerWaalsContact O-O 3.08Å
1183V41Very low34.8Very low93 Ų93124.6 Ų124.656%0.56464%0.64SS**EExtended strand (participates in β ladder)trans-97.4120.9177.9-174.70000108.8V1197 L1199V1183-V1197 HydrophobicContact CG1-CG1 3.24Å; V1183-L1199 HydrophobicContact CB-CD2 4.5Å; V1183-L1199 HydrophobicContact CG2-CD2 3.75Å
1184N37.5Very low35.5Very low83 Ų83122.5 Ų122.544%0.44463%0.627SS.*EExtended strand (participates in β ladder)trans-113.1125176.1-130.9-10.7000109.7Q1198N1184-Q1198 PolarHBondContact N-O 3.3Å; N1184-Q1198 PolarHBondContact O-N 3.49Å; N1184-Q1198 VanDerWaalsContact O-N 3.13Å
1185V43.2Very low36.4Very low92 Ų92120.3 Ų120.356%0.55861%0.611SS**EExtended strand (participates in β ladder)trans-92.5116179.4-179.50000108.2I1195V1185-I1195 HydrophobicContact CG1-CG2 4.42Å
1186I37.6Very low37.2Very low89 Ų89118.6 Ų118.646%0.45660%0.601SS.*  trans-112.7102.8-176.3-45.3-177.9000108.3K1196 Q1198I1186-K1196 PolarHBondContact N-O 3.3Å; I1186-Q1198 HydrophobicContact CD1-CB 4.37Å
1187N35.1Very low38Very low120 Ų120117.6 Ų117.664%0.64259%0.594SS**  trans86.6115.2167.7-124.1-5.4000117.8
1188Y33.1Very low38.9Very low191 Ų191110.9 Ų110.975%0.74957%0.566SS**  trans-108.999.9165.3-178.7-94.7000107.6N1190Y1188-N1190 WeakPolarHBondContact CE1-OD1 3.01Å
1189T36Very low40Very low90 Ų90105 Ų10555%0.55254%0.54SS*.  trans-104.7113.1174.744.80000109.6N1191T1189-N1191 PolarHBondContact O-N 3.26Å
1190N36.2Very low40.6Very low119 Ų11998.5 Ų98.564%0.63652%0.517SS*.THydrogen-bonded Turntrans-49.3122.6177-80.4-28.9000111.4Y1188Y1188-N1190 WeakPolarHBondContact CE1-OD1 3.01Å
1191N35.9Very low41.5Very low163 Ų16395.2 Ų95.287%0.87249%0.494SS*.THydrogen-bonded Turntrans119.72.8165.1-60.8-12.8000117.9T1189T1189-N1191 PolarHBondContact O-N 3.26Å
1192T35.6Very low41.9Very low95 Ų9593.6 Ų93.658%0.58349%0.491SS*.SBendtrans-142.6122.2165.2510000107.8T1194T1192-T1194 PolarHBondContact O-N 2.78Å
1193Q43.1Very low42.7Very low133 Ų13392.3 Ų92.362%0.62149%0.49SS*.  trans-71.239.3-170.7-68.6-169.9-0.500114.1V1267Q1193-V1267 CarbonylContact C-O 3.48Å; Q1193-V1267 HydrophobicContact CB-CG1 4.29Å; Q1193-V1267 WeakPolarHBondContact O-CB 3.47Å; Q1193-V1267 WeakPolarHBondContact O-CG1 3.14Å
1194T40.6Very low43.2Very low83 Ų8393.3 Ų93.351%0.50949%0.492SS..  trans-98.2116-177-37.50000110.5T1192T1192-T1194 PolarHBondContact O-N 2.78Å
1195I43.8Very low44Very low69 Ų6996 Ų9635%0.35450%0.501SS..  trans-98.6121.3173.9-58.4175.1000108.6V1185 V1197 T1234V1185-I1195 HydrophobicContact CG1-CG2 4.42Å; I1195-V1197 HydrophobicContact CG2-CG2 3.89Å; I1195-T1234 HydrophobicContact CD1-CG2 3.97Å; I1195-T1234 VanDerWaalsContact CD1-OG1 3.23Å; I1195-T1234 WeakPolarHBondContact CD1-OG1 3.45Å
1196K43.2Very low44.6Very low155 Ų15599.2 Ų99.267%0.67450%0.504SS*.  trans-96.8117.2171.7-72.5-177.5179.5177.80109.7I1186I1186-K1196 PolarHBondContact N-O 3.3Å
1197V46.9Very low45.6Very low86 Ų8699.1 Ų99.152%0.52150%0.5SS..EExtended strand (participates in β ladder)trans-109.5131179.2-165.50000108.9V1183 I1195V1183-V1197 HydrophobicContact CG1-CG1 3.24Å; I1195-V1197 HydrophobicContact CG2-CG2 3.89Å
1198Q49.1Very low46.6Very low52 Ų5294.1 Ų94.124%0.24347%0.474CS..EExtended strand (participates in β ladder)trans-123.9130.7178.9-160.1168.213.200110.8N1184 I1186N1184-Q1198 PolarHBondContact N-O 3.3Å; N1184-Q1198 PolarHBondContact O-N 3.49Å; N1184-Q1198 VanDerWaalsContact O-N 3.13Å; I1186-Q1198 HydrophobicContact CD1-CB 4.37Å
1199L53.5Low47.7Very low46 Ų4691.2 Ų91.224%0.24147%0.467CS..EExtended strand (participates in β ladder)trans-92123.8178.2-63.9177.2000109.7I1181 V1183 F1207 V1208 L1214I1181-L1199 HydrophobicContact CG2-CB 4.38Å; I1181-L1199 HydrophobicContact CG2-CD2 4.3Å; V1183-L1199 HydrophobicContact CB-CD2 4.5Å; V1183-L1199 HydrophobicContact CG2-CD2 3.75Å; L1199-F1207 HydrophobicContact CB-CB 4.24Å; L1199-F1207 WeakPolarHBondContact O-CB 3.31Å; L1199-F1207 PolarHBondContact O-N 3.47Å; L1199-V1208 HydrophobicContact CB-CG2 4.29Å; L1199-V1208 HydrophobicContact CD1-CG2 4.07Å; L1199-L1214 HydrophobicContact CD1-CD1 3.56Å
1200C49.2Very low48.6Very low8 Ų889.7 Ų89.75%0.05446%0.46CS..EExtended strand (participates in β ladder)trans-126.4153.4176.2-64.30000110.5F1182 Q1205F1182-C1200 PolarHBondContact N-O 2.94Å; F1182-C1200 PolarHBondContact O-N 2.56Å; F1182-C1200 VanDerWaalsContact O-N 3.11Å; F1182-C1200 VanDerWaalsContact O-O 3.08Å; C1200-Q1205 VanDerWaalsContact CA-O 3.31Å; C1200-Q1205 WeakPolarHBondContact CA-O 3.41Å
1201D54.4Low49.5Very low22 Ų2289.1 Ų89.112%0.11846%0.461CS..EExtended strand (participates in β ladder)trans-77.3179170.284.2-17.8000111.7R1179 N1203 N1204 Q1205 F1207R1179-D1201 IonicContact NH1-OD2 2.81Å; D1201-N1203 PolarHBondContact O-N 3.13Å; D1201-N1203 WeakPolarHBondContact OD1-CA 3.34Å; D1201-N1203 WeakPolarHBondContact OD1-CB 3.5Å; D1201-N1203 PolarHBondContact OD1-N 2.95Å; D1201-N1204 PolarHBondContact O-N 2.86Å; D1201-N1204 PolarHBondContact OD1-N 3.28Å; D1201-Q1205 PolarHBondContact N-O 2.91Å; D1201-Q1205 PolarHBondContact OD1-N 2.86Å; D1201-F1207 HydrophobicContact CB-CD2 4.24Å
1202S47.8Very low50.3Low53 Ų5386.9 Ų86.937%0.37145%0.449SS..THydrogen-bonded Turntrans-60.6-7.6178.465.40000115.1
1203N53.8Low51.4Low97 Ų9784 Ų8452%0.51943%0.429SS..THydrogen-bonded Turntrans-108.813.9178.7-71.10.9000112.5R1179 D1201 Q1205R1179-N1203 PolarHBondContact NH1-ND2 2.96Å; D1201-N1203 PolarHBondContact O-N 3.13Å; D1201-N1203 WeakPolarHBondContact OD1-CA 3.34Å; D1201-N1203 WeakPolarHBondContact OD1-CB 3.5Å; D1201-N1203 PolarHBondContact OD1-N 2.95Å; N1203-Q1205 PolarHBondContact O-N 3.42Å
1204N50.7Low52.3Low114 Ų11481 Ų8161%0.6142%0.417SS*.SBendtrans59.217.4-173-87.8-16.4000114.1D1201D1201-N1204 PolarHBondContact O-N 2.86Å; D1201-N1204 PolarHBondContact OD1-N 3.28Å
1205Q54.8Low53.1Low139 Ų13980.4 Ų80.465%0.6541%0.411SS*.  trans-80.8135.7170.2-90.7-171.5-2800110C1200 D1201 N1203 F1207C1200-Q1205 VanDerWaalsContact CA-O 3.31Å; C1200-Q1205 WeakPolarHBondContact CA-O 3.41Å; D1201-Q1205 PolarHBondContact N-O 2.91Å; D1201-Q1205 PolarHBondContact OD1-N 2.86Å; N1203-Q1205 PolarHBondContact O-N 3.42Å; Q1205-F1207 PolarHBondContact O-N 3.21Å
1206W56.3Low53.6Low160 Ų16085.8 Ų85.861%0.60643%0.427SS*.BIsolated β-bridgetrans-62.6120.2-176.2-59.1-12.1000110.2H1209W1206-H1209 AromaticContact CE3-ND1 3.62Å
1207F58.1Low54.3Low86 Ų8682.5 Ų82.538%0.37741%0.412SS..SBendtrans-86-16.8178.3-151.4-100.1000111.7I1181 L1199 D1201 Q1205 K1217I1181-F1207 HydrophobicContact CD1-CD1 4.04Å; I1181-F1207 HydrophobicContact CD1-CE1 3.7Å; I1181-F1207 HydrophobicContact CD1-CZ 3.97Å; I1181-F1207 HydrophobicContact CG1-CZ 4.5Å; L1199-F1207 HydrophobicContact CB-CB 4.24Å; L1199-F1207 WeakPolarHBondContact O-CB 3.31Å; L1199-F1207 PolarHBondContact O-N 3.47Å; D1201-F1207 HydrophobicContact CB-CD2 4.24Å; Q1205-F1207 PolarHBondContact O-N 3.21Å; F1207-K1217 PolarHBondContact O-NZ 3.02Å
1208V57.1Low54.6Low15 Ų1580.6 Ų80.69%0.09140%0.401CS..  trans-147.2131.5179.8-178.20000109.8L1199 S1210 D1213 L1214 K1217L1199-V1208 HydrophobicContact CB-CG2 4.29Å; L1199-V1208 HydrophobicContact CD1-CG2 4.07Å; V1208-S1210 VanDerWaalsContact CG1-O 3.24Å; V1208-S1210 WeakPolarHBondContact CG1-O 3.4Å; V1208-D1213 WeakPolarHBondContact CA-OD2 3.19Å; V1208-D1213 HydrophobicContact CG1-CB 3.93Å; V1208-L1214 HydrophobicContact CG1-CB 3.68Å; V1208-L1214 HydrophobicContact CG1-CD1 4.23Å; V1208-L1214 HydrophobicContact CG2-CD1 3.92Å; V1208-K1217 HydrophobicContact CG2-CD 4.32Å
1209H55.1Low54.7Low131 Ų13183.3 Ų83.361%0.60641%0.412SS*.SBendtrans-103.9-14.6-173-57.8-57.8000115.2W1206 D1213W1206-H1209 AromaticContact CE3-ND1 3.62Å; H1209-D1213 IonicContact CD2-OD2 2.74Å; H1209-D1213 PolarHBondContact N-OD2 3.19Å
1210S55.4Low54.5Low58 Ų5886.5 Ų86.541%0.40644%0.437SS..SBendtrans-157.8169.2176.369.20000111V1208 D1212 D1213 L1214V1208-S1210 VanDerWaalsContact CG1-O 3.24Å; V1208-S1210 WeakPolarHBondContact CG1-O 3.4Å; S1210-D1212 PolarHBondContact O-N 2.85Å; S1210-D1212 PolarHBondContact OG-N 3.45Å; S1210-D1213 PolarHBondContact O-N 2.86Å; S1210-D1213 VanDerWaalsContact O-N 3.13Å; S1210-D1213 PolarHBondContact OG-N 3.18Å; S1210-L1214 PolarHBondContact O-N 3.32Å
1211V54.9Low54.4Low107 Ų10789.7 Ų89.765%0.64846%0.464SS*.Hα-helixtrans-56.8-37.4171.8175.30000110.9D1213 L1214 L1215V1211-D1213 PolarHBondContact O-N 3.42Å; V1211-L1214 WeakPolarHBondContact O-CB 3.5Å; V1211-L1214 PolarHBondContact O-N 3.42Å; V1211-L1215 HydrophobicContact CG1-CD1 3.97Å; V1211-L1215 HydrophobicContact CG1-CG 4.47Å; V1211-L1215 WeakPolarHBondContact O-CB 3.45Å; V1211-L1215 WeakPolarHBondContact O-CG 3.28Å; V1211-L1215 PolarHBondContact O-N 3.11Å
1212D53.3Low53.9Low116 Ų11694.7 Ų94.762%0.6249%0.485SS*.Hα-helixtrans-66-37.1176.7-62.1-43.1000112.7S1210 R1216S1210-D1212 PolarHBondContact O-N 2.85Å; S1210-D1212 PolarHBondContact OG-N 3.45Å; D1212-R1216 WeakPolarHBondContact O-CB 3.39Å; D1212-R1216 PolarHBondContact O-N 2.78Å
1213D58.4Low53.6Low33 Ų3393.8 Ų93.818%0.17648%0.484CS..Hα-helixtrans-71.9-34.8176.9-168.738.3000111.2V1208 H1209 S1210 V1211 K1217V1208-D1213 WeakPolarHBondContact CA-OD2 3.19Å; V1208-D1213 HydrophobicContact CG1-CB 3.93Å; H1209-D1213 IonicContact CD2-OD2 2.74Å; H1209-D1213 PolarHBondContact N-OD2 3.19Å; S1210-D1213 PolarHBondContact O-N 2.86Å; S1210-D1213 VanDerWaalsContact O-N 3.13Å; S1210-D1213 PolarHBondContact OG-N 3.18Å; V1211-D1213 PolarHBondContact O-N 3.42Å; D1213-K1217 WeakPolarHBondContact O-CB 3.3Å; D1213-K1217 WeakPolarHBondContact O-CG 3.28Å; D1213-K1217 PolarHBondContact O-N 2.83Å; D1213-K1217 WeakPolarHBondContact OD1-CE 2.88Å; D1213-K1217 IonicContact OD2-NZ 3.17Å
1214L61.6Low53.1Low70 Ų7099.6 Ų99.637%0.36650%0.499SS..Hα-helixtrans-61.6-51.6172-17063.3000110L1199 V1208 S1210 V1211 R1216 K1217 V1218L1199-L1214 HydrophobicContact CD1-CD1 3.56Å; V1208-L1214 HydrophobicContact CG1-CB 3.68Å; V1208-L1214 HydrophobicContact CG1-CD1 4.23Å; V1208-L1214 HydrophobicContact CG2-CD1 3.92Å; S1210-L1214 PolarHBondContact O-N 3.32Å; V1211-L1214 WeakPolarHBondContact O-CB 3.5Å; V1211-L1214 PolarHBondContact O-N 3.42Å; L1214-R1216 PolarHBondContact O-N 3.02Å; L1214-K1217 PolarHBondContact O-N 3.49Å; L1214-V1218 VanDerWaalsContact O-CG2 3.29Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.37Å; L1214-V1218 PolarHBondContact O-N 3.37Å
1215L57.8Low52.7Low72 Ų7299.2 Ų99.238%0.37751%0.505SS..Hα-helixtrans-63.7-40.8-179.3-73.1169.9000111.1V1211 V1218 K1219V1211-L1215 HydrophobicContact CG1-CD1 3.97Å; V1211-L1215 HydrophobicContact CG1-CG 4.47Å; V1211-L1215 WeakPolarHBondContact O-CB 3.45Å; V1211-L1215 WeakPolarHBondContact O-CG 3.28Å; V1211-L1215 PolarHBondContact O-N 3.11Å; L1215-V1218 PolarHBondContact O-N 2.89Å; L1215-K1219 WeakPolarHBondContact O-CB 3.39Å; L1215-K1219 PolarHBondContact O-N 3.3Å
1216R54.6Low52.3Low181 Ų18195.3 Ų95.368%0.68349%0.491SS*.Hα-helixtrans-61.2-43.7174.1-102.3-175.8-167.31536.3112.8D1212 L1214 K1219 C1220D1212-R1216 WeakPolarHBondContact O-CB 3.39Å; D1212-R1216 PolarHBondContact O-N 2.78Å; L1214-R1216 PolarHBondContact O-N 3.02Å; R1216-K1219 CarbonylContact O-C 3.52Å; R1216-K1219 WeakPolarHBondContact O-CB 3.49Å; R1216-K1219 PolarHBondContact O-N 2.99Å; R1216-C1220 PolarHBondContact O-N 3.46Å
1217K57.9Low51.9Low86 Ų8694.1 Ų94.137%0.37450%0.496SS..Hα-helixtrans-69.4-37.4-179.7-71.4-174.7-174.2-170.70111.7F1207 V1208 D1213 L1214 C1220 A1221F1207-K1217 PolarHBondContact O-NZ 3.02Å; V1208-K1217 HydrophobicContact CG2-CD 4.32Å; D1213-K1217 WeakPolarHBondContact O-CB 3.3Å; D1213-K1217 WeakPolarHBondContact O-CG 3.28Å; D1213-K1217 PolarHBondContact O-N 2.83Å; D1213-K1217 WeakPolarHBondContact OD1-CE 2.88Å; D1213-K1217 IonicContact OD2-NZ 3.17Å; L1214-K1217 PolarHBondContact O-N 3.49Å; K1217-C1220 PolarHBondContact O-N 3.27Å; K1217-A1221 WeakPolarHBondContact O-CB 3.49Å; K1217-A1221 PolarHBondContact O-N 2.92Å
1218V52.2Low51.3Low46 Ų4695.1 Ų95.128%0.27950%0.504SS..Hα-helixtrans-62.9-42.9168.6173.90000110.6L1214 L1215 C1220 A1221 F1222 L1230L1214-V1218 VanDerWaalsContact O-CG2 3.29Å; L1214-V1218 WeakPolarHBondContact O-CG2 3.37Å; L1214-V1218 PolarHBondContact O-N 3.37Å; L1215-V1218 PolarHBondContact O-N 2.89Å; V1218-C1220 VanDerWaalsContact C-N 3.34Å; V1218-C1220 PolarHBondContact O-N 2.94Å; V1218-A1221 PolarHBondContact O-N 3.35Å; V1218-F1222 HydrophobicContact CG1-CD2 3.88Å; V1218-F1222 HydrophobicContact CG1-CE2 4.15Å; V1218-F1222 WeakPolarHBondContact O-CD2 3.22Å; V1218-F1222 PolarHBondContact O-N 3.36Å; V1218-F1222 VanDerWaalsContact O-N 3.14Å; V1218-L1230 HydrophobicContact CG1-CD1 4.23Å
1219K52.8Low50.7Low109 Ų10997.4 Ų97.447%0.47452%0.516SS..Hα-helixtrans-61.3-37.9177.1-155.1177.2-153.3-1740112.6L1215 R1216 G1223 W1224L1215-K1219 WeakPolarHBondContact O-CB 3.39Å; L1215-K1219 PolarHBondContact O-N 3.3Å; R1216-K1219 CarbonylContact O-C 3.52Å; R1216-K1219 WeakPolarHBondContact O-CB 3.49Å; R1216-K1219 PolarHBondContact O-N 2.99Å; K1219-G1223 PolarHBondContact O-N 2.95Å; K1219-W1224 VanDerWaalsContact CE-CE2 3.43Å; K1219-W1224 VanDerWaalsContact NZ-CZ2 3.27Å
1220C48.9Very low50.5Low113 Ų11394 Ų9476%0.76450%0.502SS*.Hα-helixtrans-75-36.1174.7-80.10000113R1216 K1217 V1218R1216-C1220 PolarHBondContact O-N 3.46Å; K1217-C1220 PolarHBondContact O-N 3.27Å; V1218-C1220 VanDerWaalsContact C-N 3.34Å; V1218-C1220 PolarHBondContact O-N 2.94Å
1221A46.5Very low50.2Low76 Ų7696 Ų9663%0.62851%0.505SS*.Hα-helixtrans-70.9-32.9-177.800000113.3K1217 V1218K1217-A1221 WeakPolarHBondContact O-CB 3.49Å; K1217-A1221 PolarHBondContact O-N 2.92Å; V1218-A1221 PolarHBondContact O-N 3.35Å
1222F44.9Very low50Low126 Ų12695.5 Ų95.555%0.55350%0.498SS*.Hα-helixtrans-103.4-12.4-176.4-67.1-75.2000114.6V1218 T1226V1218-F1222 HydrophobicContact CG1-CD2 3.88Å; V1218-F1222 HydrophobicContact CG1-CE2 4.15Å; V1218-F1222 WeakPolarHBondContact O-CD2 3.22Å; V1218-F1222 PolarHBondContact O-N 3.36Å; V1218-F1222 VanDerWaalsContact O-N 3.14Å; F1222-T1226 HydrophobicContact CB-CG2 4.4Å; F1222-T1226 WeakPolarHBondContact O-CG2 3.36Å
1223G39.5Very low49.9Very low35 Ų3595.2 Ų95.236%0.36149%0.489SS..  trans66.6154.1-176.800000112.8K1219 S1225K1219-G1223 PolarHBondContact O-N 2.95Å; G1223-S1225 PolarHBondContact O-N 3.46Å
1224W44.8Very low49.7Very low219 Ų21994.6 Ų94.683%0.8349%0.487SS*.THydrogen-bonded Turntrans-67.913.7-173.1-9764.1000116.2K1219K1219-W1224 VanDerWaalsContact CE-CE2 3.43Å; K1219-W1224 VanDerWaalsContact NZ-CZ2 3.27Å
1225S41.8Very low49.4Very low105 Ų10593.7 Ų93.773%0.73449%0.489SS*.THydrogen-bonded Turntrans-112.52.9-171.565.60000115.1G1223G1223-S1225 PolarHBondContact O-N 3.46Å
1226T47.1Very low49Very low58 Ų5896.2 Ų96.236%0.35650%0.503SS..  trans-94.8109.8-174.556.80000112.3F1222 I1228F1222-T1226 HydrophobicContact CB-CG2 4.4Å; F1222-T1226 WeakPolarHBondContact O-CG2 3.36Å; T1226-I1228 HydrophobicContact CG2-CD1 3.94Å; T1226-I1228 PolarHBondContact O-N 3.41Å
1227N48Very low48.6Very low135 Ų13592.4 Ų92.472%0.72250%0.496SS*.  trans-69.234.6166.7-69.7-25.5000112.8
1228I43.8Very low48.2Very low106 Ų10694.6 Ų94.654%0.54452%0.517SS..PPolyproline II helixtrans-97.7124.4-169.4-58.8173.8000108.8T1226T1226-I1228 HydrophobicContact CG2-CD1 3.94Å; T1226-I1228 PolarHBondContact O-N 3.41Å
1229N46Very low47.9Very low63 Ų6399.6 Ų99.634%0.33754%0.542SS..PPolyproline II helixtrans-65.5134.4170.6-68.8-40.8000110.5H1249 T1251 P1252N1229-H1249 VanDerWaalsContact CB-NE2 3.27Å; N1229-H1249 WeakPolarHBondContact CB-NE2 3.35Å; N1229-T1251 WeakPolarHBondContact OD1-CA 3.31Å; N1229-P1252 WeakPolarHBondContact OD1-CD 3.5Å
1230L50.1Low47.7Very low61 Ų6198.3 Ų98.332%0.31954%0.54SS..EExtended strand (participates in β ladder)trans-98120.2175.1-83.4157.3000109.7V1218 V1250 L1255V1218-L1230 HydrophobicContact CG1-CD1 4.23Å; L1230-V1250 HydrophobicContact CB-CB 4.23Å; L1230-V1250 PolarHBondContact N-O 3.41Å; L1230-V1250 PolarHBondContact O-N 2.86Å; L1230-L1255 HydrophobicContact CD1-CD1 4.2Å
1231Q48.6Very low47.6Very low100 Ų100100.7 Ų100.747%0.46754%0.542SS..EExtended strand (participates in β ladder)trans-104.9117.8173.6-73.9178.3-19.400109.6Y1233 L1246 H1249Q1231-Y1233 HydrophobicContact CB-CD2 4.13Å; Q1231-Y1233 HydrophobicContact CB-CE2 3.45Å; Q1231-Y1233 VanDerWaalsContact CB-CE2 3.45Å; Q1231-Y1233 HydrophobicContact CG-CE2 4.43Å; Q1231-Y1233 PolarHBondContact OE1-OH 3.26Å; Q1231-L1246 HydrophobicContact CB-CD1 3.69Å; Q1231-L1246 HydrophobicContact CG-CD1 3.9Å; Q1231-H1249 VanDerWaalsContact CG-CD2 3.43Å; Q1231-H1249 WeakPolarHBondContact CG-CD2 3.36Å
1232L52.2Low47.8Very low96 Ų96103.9 Ų103.950%0.50355%0.548SS..EExtended strand (participates in β ladder)trans-95123.1175.3-66171.5000108.5L1247 A1248L1232-L1247 WeakPolarHBondContact O-CB 3.43Å; L1232-L1247 PolarHBondContact O-N 3.31Å; L1232-A1248 HydrophobicContact CD1-CB 4.43Å; L1232-A1248 PolarHBondContact N-O 2.69Å; L1232-A1248 PolarHBondContact O-N 3.36Å
1233Y50.2Low48Very low110 Ų110102.4 Ų102.443%0.43155%0.546SS..EExtended strand (participates in β ladder)trans-114.4149178.3-69.3-90.9000110.8Q1231 L1244 K1245 L1246Q1231-Y1233 HydrophobicContact CB-CD2 4.13Å; Q1231-Y1233 HydrophobicContact CB-CE2 3.45Å; Q1231-Y1233 VanDerWaalsContact CB-CE2 3.45Å; Q1231-Y1233 HydrophobicContact CG-CE2 4.43Å; Q1231-Y1233 PolarHBondContact OE1-OH 3.26Å; Y1233-L1244 HydrophobicContact CD1-CB 3.83Å; Y1233-L1244 HydrophobicContact CG-CB 4.28Å; Y1233-K1245 WeakPolarHBondContact CA-O 3.36Å; Y1233-L1246 HydrophobicContact CD1-CB 4.04Å; Y1233-L1246 HydrophobicContact CD1-CD1 4.17Å; Y1233-L1246 HydrophobicContact CD2-CD1 4.31Å; Y1233-L1246 HydrophobicContact CE1-CB 3.76Å; Y1233-L1246 HydrophobicContact CE1-CD1 3.77Å; Y1233-L1246 HydrophobicContact CE1-CG 4.36Å; Y1233-L1246 HydrophobicContact CE2-CD1 3.93Å; Y1233-L1246 HydrophobicContact CG-CD1 4.43Å
1234T55.2Low48.4Very low19 Ų19105.1 Ų105.112%0.11755%0.552CS.*EExtended strand (participates in β ladder)trans-116.1140.2164.7-170.50000110.1I1195 L1244 K1245 L1247I1195-T1234 HydrophobicContact CD1-CG2 3.97Å; I1195-T1234 VanDerWaalsContact CD1-OG1 3.23Å; I1195-T1234 WeakPolarHBondContact CD1-OG1 3.45Å; T1234-L1244 WeakPolarHBondContact O-CA 3.4Å; T1234-K1245 HydrophobicContact CG2-CB 4.13Å; T1234-K1245 PolarHBondContact N-O 3.18Å; T1234-K1245 PolarHBondContact O-N 3.37Å; T1234-L1247 HydrophobicContact CG2-CD1 3.99Å; T1234-L1247 HydrophobicContact CG2-CD2 3.77Å; T1234-L1247 HydrophobicContact CG2-CG 3.72Å
1235A54Low48.8Very low51 Ų5199.5 Ų99.542%0.42153%0.533SS..EExtended strand (participates in β ladder)trans-78.6129.7167.500000108.7N1237 L1244A1235-N1237 VanDerWaalsContact C-N 3.3Å; A1235-L1244 HydrophobicContact CB-CD2 4.2Å
1236L50.1Low49.5Very low126 Ų12698.1 Ų98.166%0.6652%0.518SS*.SBendtrans-80.3-13.3176.1-82.1160.6000112.7D1243 K1245L1236-D1243 PolarHBondContact N-O 3.4Å; L1236-K1245 HydrophobicContact CD1-CB 3.94Å; L1236-K1245 HydrophobicContact CD1-CD 4.37Å; L1236-K1245 HydrophobicContact CG-CB 4.31Å
1237N46.9Very low49.8Very low100 Ų10098.5 Ų98.554%0.53552%0.517SS..SBendtrans-149.2133.8-179.2-148.4-9.2000110.1A1235 D1239A1235-N1237 VanDerWaalsContact C-N 3.3Å; N1237-D1239 PolarHBondContact O-N 3.47Å
1238T47.5Very low50.1Low133 Ų13393.9 Ų93.982%0.81650%0.497SS*.THydrogen-bonded Turntrans-70.4-15.6-170.944.60000114.3
1239D47.6Very low50.6Low151 Ų15192.7 Ų92.781%0.80749%0.489SS*.THydrogen-bonded Turntrans-1095.3-173.1-64.3-30.3000114.5N1237N1237-D1239 PolarHBondContact O-N 3.47Å
1240N47.2Very low51Low82 Ų8291.5 Ų91.544%0.43948%0.484SS..  trans-142.1102.2178.2-152.3-4.1000112.3N1242 D1243N1240-N1242 PolarHBondContact O-N 2.89Å; N1240-D1243 PolarHBondContact O-N 3.07Å
1241M46.6Very low51.2Low163 Ų16390.1 Ų90.180%0.80348%0.478SS*.THydrogen-bonded Turntrans-62.5-7.2178.8-81.5-88.8-152.100114.3
1242N51.3Low51.4Low142 Ų14286.1 Ų86.176%0.75946%0.461SS*.THydrogen-bonded Turntrans-87-11-177.2-70.1-24.3000114.4N1240N1240-N1242 PolarHBondContact O-N 2.89Å
1243D49.3Very low51.3Low96 Ų9685.1 Ų85.151%0.51346%0.462SS..  trans-106.767.4177.8-83.2-28.6000111.9L1236 N1240L1236-D1243 PolarHBondContact N-O 3.4Å; N1240-D1243 PolarHBondContact O-N 3.07Å
1244L48.4Very low51.2Low91 Ų9184.6 Ų84.648%0.47646%0.464SS..EExtended strand (participates in β ladder)trans-89.3118.9173-68.8171.6000110.6Y1233 T1234 A1235Y1233-L1244 HydrophobicContact CD1-CB 3.83Å; Y1233-L1244 HydrophobicContact CG-CB 4.28Å; T1234-L1244 WeakPolarHBondContact O-CA 3.4Å; A1235-L1244 HydrophobicContact CB-CD2 4.2Å
1245K53.2Low50.9Low101 Ų10186.6 Ų86.644%0.43947%0.473SS..EExtended strand (participates in β ladder)trans-92.3124.1169.9-173.5-178.5177.4-1720109.3Y1233 T1234 L1236 L1247Y1233-K1245 WeakPolarHBondContact CA-O 3.36Å; T1234-K1245 HydrophobicContact CG2-CB 4.13Å; T1234-K1245 PolarHBondContact N-O 3.18Å; T1234-K1245 PolarHBondContact O-N 3.37Å; L1236-K1245 HydrophobicContact CD1-CB 3.94Å; L1236-K1245 HydrophobicContact CD1-CD 4.37Å; L1236-K1245 HydrophobicContact CG-CB 4.31Å; K1245-L1247 PolarHBondContact O-N 3.39Å
1246L56Low50.5Low77 Ų7790.5 Ų90.540%0.40349%0.485SS..EExtended strand (participates in β ladder)trans-64.7119.6172.8-176.770.7000109.1Q1231 Y1233Q1231-L1246 HydrophobicContact CB-CD1 3.69Å; Q1231-L1246 HydrophobicContact CG-CD1 3.9Å; Y1233-L1246 HydrophobicContact CD1-CB 4.04Å; Y1233-L1246 HydrophobicContact CD1-CD1 4.17Å; Y1233-L1246 HydrophobicContact CD2-CD1 4.31Å; Y1233-L1246 HydrophobicContact CE1-CB 3.76Å; Y1233-L1246 HydrophobicContact CE1-CD1 3.77Å; Y1233-L1246 HydrophobicContact CE1-CG 4.36Å; Y1233-L1246 HydrophobicContact CE2-CD1 3.93Å; Y1233-L1246 HydrophobicContact CG-CD1 4.43Å
1247L53.5Low50.3Low66 Ų6691.1 Ų91.135%0.34649%0.49SS..EExtended strand (participates in β ladder)trans-88.3-44177-75.9177.9000112.1L1232 T1234 K1245 V1267L1232-L1247 WeakPolarHBondContact O-CB 3.43Å; L1232-L1247 PolarHBondContact O-N 3.31Å; T1234-L1247 HydrophobicContact CG2-CD1 3.99Å; T1234-L1247 HydrophobicContact CG2-CD2 3.77Å; T1234-L1247 HydrophobicContact CG2-CG 3.72Å; K1245-L1247 PolarHBondContact O-N 3.39Å; L1247-V1267 HydrophobicContact CD2-CG1 4.11Å
1248A54.7Low49.9Very low37 Ų3789.9 Ų89.931%0.30648%0.482SS..EExtended strand (participates in β ladder)trans-154.7148.4-179.500000111.7L1232L1232-A1248 HydrophobicContact CD1-CB 4.43Å; L1232-A1248 PolarHBondContact N-O 2.69Å; L1232-A1248 PolarHBondContact O-N 3.36Å
1249H53.2Low49.4Very low82 Ų8291.4 Ų91.438%0.3849%0.486SS..EExtended strand (participates in β ladder)trans-114.1113.4169.4-172.7-128.7000108.2N1229 Q1231 Q1254N1229-H1249 VanDerWaalsContact CB-NE2 3.27Å; N1229-H1249 WeakPolarHBondContact CB-NE2 3.35Å; Q1231-H1249 VanDerWaalsContact CG-CD2 3.43Å; Q1231-H1249 WeakPolarHBondContact CG-CD2 3.36Å; H1249-Q1254 PolarHBondContact O-OE1 3.25Å
1250V56.1Low48.6Very low38 Ų3888 Ų8823%0.2349%0.486CS..EExtended strand (participates in β ladder)trans-106113.8-179.4-1760000108.4L1230 Q1254 L1255L1230-V1250 HydrophobicContact CB-CB 4.23Å; L1230-V1250 PolarHBondContact N-O 3.41Å; L1230-V1250 PolarHBondContact O-N 2.86Å; V1250-Q1254 HydrophobicContact CG1-CB 4.48Å; V1250-L1255 HydrophobicContact CG1-CD1 3.92Å; V1250-L1255 HydrophobicContact CG1-CD2 4Å; V1250-L1255 HydrophobicContact CG1-CG 3.66Å
1251T54Low47.8Very low31 Ų3190.3 Ų90.319%0.1950%0.497CS..  trans-85.5153.6178.457.60000111.3N1229 S1253 Q1254 L1255N1229-T1251 WeakPolarHBondContact OD1-CA 3.31Å; T1251-S1253 PolarHBondContact O-N 2.85Å; T1251-S1253 PolarHBondContact OG1-OG 2.97Å; T1251-S1253 VanDerWaalsContact OG1-OG 3.1Å; T1251-Q1254 WeakPolarHBondContact O-CB 3.49Å; T1251-Q1254 PolarHBondContact O-N 3.35Å; T1251-Q1254 WeakPolarHBondContact OG1-CG 3.42Å; T1251-Q1254 PolarHBondContact OG1-OE1 3.29Å; T1251-L1255 PolarHBondContact O-N 3.15Å
1252P51.2Low47.1Very low17 Ų1787.8 Ų87.811%0.1149%0.491CS..Hα-helixtrans-52.8-36.2174.4-27.733.7000113.2N1229 Q1254 L1255 I1256N1229-P1252 WeakPolarHBondContact OD1-CD 3.5Å; P1252-Q1254 VanDerWaalsContact C-N 3.35Å; P1252-Q1254 PolarHBondContact O-N 2.65Å; P1252-L1255 PolarHBondContact O-N 2.73Å; P1252-L1255 VanDerWaalsContact O-N 3.14Å; P1252-I1256 WeakPolarHBondContact O-CD1 3.37Å; P1252-I1256 VanDerWaalsContact O-CG1 3.22Å; P1252-I1256 WeakPolarHBondContact O-CG1 3.35Å; P1252-I1256 PolarHBondContact O-N 2.87Å
1253S50.3Low46Very low74 Ų7487.6 Ų87.652%0.51749%0.489SS..Hα-helixtrans-67.1-31.4177.557.10000113.6T1251 L1255T1251-S1253 PolarHBondContact O-N 2.85Å; T1251-S1253 PolarHBondContact OG1-OG 2.97Å; T1251-S1253 VanDerWaalsContact OG1-OG 3.1Å; S1253-L1255 VanDerWaalsContact C-N 3.33Å
1254Q49.9Very low45.1Very low100 Ų10093 Ų9347%0.46750%0.504SS..Hα-helixtrans-73.8-24.7172.5-72.4167.3-3900112.6H1249 V1250 T1251 P1252H1249-Q1254 PolarHBondContact O-OE1 3.25Å; V1250-Q1254 HydrophobicContact CG1-CB 4.48Å; T1251-Q1254 WeakPolarHBondContact O-CB 3.49Å; T1251-Q1254 PolarHBondContact O-N 3.35Å; T1251-Q1254 WeakPolarHBondContact OG1-CG 3.42Å; T1251-Q1254 PolarHBondContact OG1-OE1 3.29Å; P1252-Q1254 VanDerWaalsContact C-N 3.35Å; P1252-Q1254 PolarHBondContact O-N 2.65Å
1255L48.2Very low44.3Very low61 Ų6192.8 Ų92.832%0.31952%0.515SS..Hα-helixtrans-82.1-28175.3-72.8161.3000113L1230 V1250 T1251 P1252 S1253 L1258L1230-L1255 HydrophobicContact CD1-CD1 4.2Å; V1250-L1255 HydrophobicContact CG1-CD1 3.92Å; V1250-L1255 HydrophobicContact CG1-CD2 4Å; V1250-L1255 HydrophobicContact CG1-CG 3.66Å; T1251-L1255 PolarHBondContact O-N 3.15Å; P1252-L1255 PolarHBondContact O-N 2.73Å; P1252-L1255 VanDerWaalsContact O-N 3.14Å; S1253-L1255 VanDerWaalsContact C-N 3.33Å; L1255-L1258 HydrophobicContact CD2-CD1 4.3Å
1256I45.7Very low43.1Very low132 Ų13293.7 Ų93.768%0.67753%0.534SS*.Hα-helixtrans-76.1-29.4179.9-68.5161.5000112.1P1252 L1258P1252-I1256 WeakPolarHBondContact O-CD1 3.37Å; P1252-I1256 VanDerWaalsContact O-CG1 3.22Å; P1252-I1256 WeakPolarHBondContact O-CG1 3.35Å; P1252-I1256 PolarHBondContact O-N 2.87Å; I1256-L1258 VanDerWaalsContact C-N 3.26Å; I1256-L1258 PolarHBondContact O-N 3.25Å
1257N44.8Very low41.9Very low140 Ų14094.4 Ų94.475%0.74954%0.541SS*.THydrogen-bonded Turntrans-80.811.6-178.6-94.6-19.7000115.2D1259N1257-D1259 VanDerWaalsContact C-N 3.32Å; N1257-D1259 PolarHBondContact O-N 3.03Å
1258L39.7Very low41.3Very low73 Ų7395.8 Ų95.838%0.38255%0.551SS.*  trans-90.138-171.5-79.5166.7000114.7L1255 I1256 G1260 L1263L1255-L1258 HydrophobicContact CD2-CD1 4.3Å; I1256-L1258 VanDerWaalsContact C-N 3.26Å; I1256-L1258 PolarHBondContact O-N 3.25Å; L1258-G1260 VanDerWaalsContact C-N 3.29Å; L1258-G1260 PolarHBondContact O-N 3.15Å; L1258-G1260 VanDerWaalsContact O-N 3.13Å; L1258-L1263 HydrophobicContact CD2-CD1 4.32Å
1259D35.7Very low40.6Very low166 Ų16698.9 Ų98.989%0.88856%0.564SS**SBendtrans-84.277.1164.5-81.5-19.5000109.7N1257N1257-D1259 VanDerWaalsContact C-N 3.32Å; N1257-D1259 PolarHBondContact O-N 3.03Å
1260G32.6Very low39.9Very low78 Ų7899.8 Ų99.880%0.80457%0.574SS**SBendtrans99.917.9159.200000118.7L1258L1258-G1260 VanDerWaalsContact C-N 3.29Å; L1258-G1260 PolarHBondContact O-N 3.15Å; L1258-G1260 VanDerWaalsContact O-N 3.13Å
1261I28.9Very low38.9Very low132 Ų132103.5 Ų103.568%0.67760%0.595SS**  trans-122.1120.6176.2-56.3177.7000111.4L1263I1261-L1263 PolarHBondContact O-N 2.77Å
1262T31.6Very low38Very low110 Ų110108 Ų10868%0.67562%0.62SS**  trans-66.4118.1173.3-49.50000110.8Y1264T1262-Y1264 HydrophobicContact CG2-CE2 4.28Å; T1262-Y1264 PolarHBondContact O-N 3.26Å
1263L29.9Very low37.1Very low137 Ų137114.1 Ų114.172%0.71765%0.654SS**  trans-81.5110.7168.8-89.3162.8000110.1L1258 I1261 A1265L1258-L1263 HydrophobicContact CD2-CD1 4.32Å; I1261-L1263 PolarHBondContact O-N 2.77Å; L1263-A1265 PolarHBondContact O-N 2.98Å
1264Y30Very low36.2Very low210 Ų210116.9 Ų116.982%0.82466%0.663SS**  trans-80.5101.9157.9-69.7-88000108T1262 S1266T1262-Y1264 HydrophobicContact CG2-CE2 4.28Å; T1262-Y1264 PolarHBondContact O-N 3.26Å; Y1264-S1266 PolarHBondContact O-N 3.46Å
1265A31.9Very low35.1Very low87 Ų87118.2 Ų118.272%0.71968%0.679SS**  trans-81.6101.4161.900000107.6L1263 V1267L1263-A1265 PolarHBondContact O-N 2.98Å; A1265-V1267 PolarHBondContact O-N 3.27Å
1266S27.1Very low34Very low120 Ų120123 Ų12384%0.83971%0.708SS**  trans-70.6121.4166.160.50000108.6Y1264Y1264-S1266 PolarHBondContact O-N 3.46Å
1267V30.7Very low33Very low91 Ų91122.2 Ų122.255%0.55271%0.711SS**  trans-108.20164.1-171.10000108.5Q1193 L1247 A1265Q1193-V1267 CarbonylContact C-O 3.48Å; Q1193-V1267 HydrophobicContact CB-CG1 4.29Å; Q1193-V1267 WeakPolarHBondContact O-CB 3.47Å; Q1193-V1267 WeakPolarHBondContact O-CG1 3.14Å; L1247-V1267 HydrophobicContact CD2-CG1 4.11Å; A1265-V1267 PolarHBondContact O-N 3.27Å

Retrieved 1,267 of 1,267 residues in 312.3 ms (Link to these results)

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