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N-acetylmuramic acid 6-phosphate etherase

Specifically catalyzes the cleavage of the D-lactyl ether substituent of MurNAc 6-phosphate, producing GlcNAc 6-phosphate and D-lactate.

AlphaFold DB (Q2G1G6), UniProt , Accession Q99X30, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene murQ, Length 299 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
1M39.6Very low77.7Confident237 Ų23798.3 Ų98.3100%1.16749%0.487SS*.  060.90-68-177.6-176.100110.9
2M48.1Very low79.3Confident163 Ų163104.8 Ų104.880%0.80352%0.516SS*.  trans-95.7-4.7170.4-70.9-172.4-158.700112.5N4 S5M2-N4 VanDerWaalsContact C-N 3.27Å; M2-N4 PolarHBondContact O-N 3.05Å; M2-S5 PolarHBondContact O-N 3.37Å
3E53.4Low80.6Confident187 Ų187100.6 Ų100.687%0.87451%0.508SS*.THydrogen-bonded Turntrans-69.8-9.6-157.4-73.8174.6154.800116.3
4N64.5Low81.8Confident158 Ų15894.1 Ų94.185%0.84548%0.476SS*.THydrogen-bonded Turntrans-126.511.3-178-75.2-15.8000115.6M2 T6M2-N4 VanDerWaalsContact C-N 3.27Å; M2-N4 PolarHBondContact O-N 3.05Å; N4-T6 PolarHBondContact O-N 3.37Å
5S83.9Confident82.9Confident20 Ų2092.9 Ų92.914%0.1447%0.469CS..  trans-85.9102.9-178.6-164.20000111.5M2 T7 E8 A9 N166M2-S5 PolarHBondContact O-N 3.37Å; S5-T7 PolarHBondContact O-N 2.71Å; S5-T7 PolarHBondContact OG-OG1 3.25Å; S5-E8 PolarHBondContact O-N 2.75Å; S5-A9 PolarHBondContact O-N 3.32Å; S5-N166 PolarHBondContact OG-ND2 3.41Å; S5-N166 VanDerWaalsContact OG-ND2 3.09Å
6T90.1Very high83.8Confident25 Ų2593.9 Ų93.915%0.15347%0.471CS..G310 helixtrans-61-28.5177.865.30000112.9N4 E8 A9 C165 N166 K182N4-T6 PolarHBondContact O-N 3.37Å; T6-E8 VanDerWaalsContact C-N 3.27Å; T6-E8 PolarHBondContact O-N 2.95Å; T6-A9 PolarHBondContact O-N 3.34Å; T6-C165 PolarHBondContact OG1-O 3.49Å; T6-N166 PolarHBondContact N-OD1 2.99Å; T6-N166 PolarHBondContact OG1-OD1 2.95Å; T6-K182 HydrophobicContact CG2-CD 4.44Å; T6-K182 HydrophobicContact CG2-CG 4.47Å
7T91.9Very high84.6Confident1 Ų191.5 Ų91.51%0.00646%0.46CS..G310 helixtrans-66.9-24.2175.958.80000114.1S5 C165 N166 G190 T192S5-T7 PolarHBondContact O-N 2.71Å; S5-T7 PolarHBondContact OG-OG1 3.25Å; T7-C165 HydrophobicContact CG2-CB 4.12Å; T7-N166 PolarHBondContact N-OD1 3.41Å; T7-N166 PolarHBondContact OG1-ND2 2.87Å; T7-G190 WeakPolarHBondContact O-CA 3.45Å; T7-T192 HydrophobicContact CG2-CG2 3.95Å
8E94.1Very high85.3Confident91 Ų9194.6 Ų94.643%0.42548%0.478SS..G310 helixtrans-104.5-4.4-178.2-54-49.5134.900112.7S5 T6 T189S5-E8 PolarHBondContact O-N 2.75Å; T6-E8 VanDerWaalsContact C-N 3.27Å; T6-E8 PolarHBondContact O-N 2.95Å; E8-T189 WeakPolarHBondContact O-CG2 3.45Å
9A95Very high86Confident39 Ų3997.1 Ų97.132%0.32249%0.488SS..SBendtrans-71.4152177.400000110.9S5 T6 P185S5-A9 PolarHBondContact O-N 3.32Å; T6-A9 PolarHBondContact O-N 3.34Å; A9-P185 HydrophobicContact CB-CB 4.42Å; A9-P185 HydrophobicContact CB-CG 3.92Å; A9-P185 WeakPolarHBondContact O-CB 3.35Å
10R96.9Very high86.6Confident146 Ų14694.8 Ų94.855%0.55148%0.476SS*.PPolyproline II helixtrans-77.2143.3173-64.1-171.268.1-175.3-1.7110.2M15 T189R10-M15 HydrophobicContact CB-SD 4.18Å; R10-M15 VanDerWaalsContact NH1-CE 3.34Å; R10-M15 PolarHBondContact NH2-O 2.81Å; R10-M15 PolarHBondContact NH2-SD 2.72Å; R10-T189 HydrophobicContact CG-CG2 4.19Å
11N97Very high87.2Confident14 Ų1494 Ų948%0.07548%0.476CS..PPolyproline II helixtrans-88121172.4-174-27.1000109.4A13 T14 M15 E32 P185 E186N11-A13 PolarHBondContact O-N 3.41Å; N11-A13 WeakPolarHBondContact OD1-CB 3.31Å; N11-A13 PolarHBondContact OD1-N 3.32Å; N11-T14 WeakPolarHBondContact CB-OG1 3.48Å; N11-T14 PolarHBondContact O-N 2.93Å; N11-T14 VanDerWaalsContact O-N 3.13Å; N11-T14 PolarHBondContact O-OG1 2.94Å; N11-M15 PolarHBondContact O-N 3.39Å; N11-E32 PolarHBondContact ND2-OE1 3.41Å; N11-P185 HydrophobicContact CB-CB 3.76Å; N11-P185 PolarHBondContact ND2-O 2.6Å; N11-E186 WeakPolarHBondContact CB-O 3.23Å
12E96.8Very high90Very high177 Ų17788.2 Ų88.283%0.82745%0.454SS*.G310 helixtrans-60.3-33.3-179.6-65.9-177.6173.800112.6T14 M15E12-T14 PolarHBondContact O-N 3.29Å; E12-M15 WeakPolarHBondContact O-CG 3.23Å
13A96.5Very high92.4Very high50 Ų5087.2 Ų87.241%0.41345%0.447SS..G310 helixtrans-71.1-16.3179.600000113.3N11 M20 T28N11-A13 PolarHBondContact O-N 3.41Å; N11-A13 WeakPolarHBondContact OD1-CB 3.31Å; N11-A13 PolarHBondContact OD1-N 3.32Å; A13-M20 VanDerWaalsContact O-CE 3.24Å; A13-M20 WeakPolarHBondContact O-CE 3.48Å; A13-T28 HydrophobicContact CB-CG2 4.28Å
14T97.5Very high94.5Very high10 Ų1083 Ų836%0.06143%0.428CS..G310 helixtrans-12425.9-175.465.90000112.8N11 E12 H16 L17 T28 V187N11-T14 WeakPolarHBondContact CB-OG1 3.48Å; N11-T14 PolarHBondContact O-N 2.93Å; N11-T14 VanDerWaalsContact O-N 3.13Å; N11-T14 PolarHBondContact O-OG1 2.94Å; E12-T14 PolarHBondContact O-N 3.29Å; T14-H16 PolarHBondContact O-N 2.91Å; T14-L17 HydrophobicContact CG2-CD1 4.3Å; T14-L17 WeakPolarHBondContact O-CB 3.47Å; T14-L17 PolarHBondContact O-N 3.4Å; T14-T28 HydrophobicContact CG2-CG2 3.54Å; T14-V187 WeakPolarHBondContact CB-O 3.48Å; T14-V187 HydrophobicContact CG2-CB 3.95Å; T14-V187 HydrophobicContact CG2-CG1 3.91Å; T14-V187 PolarHBondContact OG1-O 3.02Å
15M97.9Very high96.1Very high76 Ų7676.7 Ų76.737%0.37440%0.398SS..THydrogen-bonded Turntrans-57.9-30.5178.9-73.5-67.1-68.400113.6R10 N11 E12R10-M15 HydrophobicContact CB-SD 4.18Å; R10-M15 VanDerWaalsContact NH1-CE 3.34Å; R10-M15 PolarHBondContact NH2-O 2.81Å; R10-M15 PolarHBondContact NH2-SD 2.72Å; N11-M15 PolarHBondContact O-N 3.39Å; E12-M15 WeakPolarHBondContact O-CG 3.23Å
16H97.4Very high96.8Very high108 Ų10881 Ų8150%0.542%0.419SS..THydrogen-bonded Turntrans-119.740.2178.7-59.9-83.8000111.2T14 D18 E19 M20T14-H16 PolarHBondContact O-N 2.91Å; H16-D18 PolarHBondContact O-N 3Å; H16-D18 VanDerWaalsContact O-N 3.16Å; H16-E19 HydrophobicContact CB-CB 4.21Å; H16-E19 HydrophobicContact CB-CG 4.27Å; H16-E19 IonicContact CE1-OE1 3.93Å; H16-E19 IonicContact CG-OE1 3.8Å; H16-E19 IonicContact ND1-OE1 2.95Å; H16-E19 PolarHBondContact ND1-OE1 3.43Å; H16-E19 IonicContact ND1-OE2 3.73Å; H16-E19 PolarHBondContact O-N 3.39Å; H16-M20 PolarHBondContact O-N 3.25Å
17L97.7Very high97.2Very high54 Ų5484.8 Ų84.828%0.28344%0.437SS..THydrogen-bonded Turntrans-54.9-33.6-175.9-176.961.2000113.2T14 E19 M20 A25T14-L17 HydrophobicContact CG2-CD1 4.3Å; T14-L17 WeakPolarHBondContact O-CB 3.47Å; T14-L17 PolarHBondContact O-N 3.4Å; L17-E19 VanDerWaalsContact C-N 3.3Å; L17-M20 HydrophobicContact CD1-SD 3.95Å; L17-M20 PolarHBondContact O-N 2.81Å; L17-A25 HydrophobicContact CD1-CB 4.09Å
18D97.9Very high97.5Very high146 Ų14686 Ų8678%0.78144%0.444SS*.THydrogen-bonded Turntrans-76.3-13.7179.759.8-44.8000114.2H16H16-D18 PolarHBondContact O-N 3Å; H16-D18 VanDerWaalsContact O-N 3.16Å
19E98.3Very high97.7Very high142 Ų14284.9 Ų84.966%0.66444%0.439SS*.THydrogen-bonded Turntrans-95.2-14.4174.9-59.2174.3-151.200112.4H16 L17H16-E19 HydrophobicContact CB-CB 4.21Å; H16-E19 HydrophobicContact CB-CG 4.27Å; H16-E19 IonicContact CE1-OE1 3.93Å; H16-E19 IonicContact CG-OE1 3.8Å; H16-E19 IonicContact ND1-OE1 2.95Å; H16-E19 PolarHBondContact ND1-OE1 3.43Å; H16-E19 IonicContact ND1-OE2 3.73Å; H16-E19 PolarHBondContact O-N 3.39Å; L17-E19 VanDerWaalsContact C-N 3.3Å
20M97.8Very high97.9Very high51 Ų5187.1 Ų87.125%0.25145%0.446SS..SBendtrans-67.5144.6177.8-68.1-176.9177.300111.4A13 H16 L17 E24 A25A13-M20 VanDerWaalsContact O-CE 3.24Å; A13-M20 WeakPolarHBondContact O-CE 3.48Å; H16-M20 PolarHBondContact O-N 3.25Å; L17-M20 HydrophobicContact CD1-SD 3.95Å; L17-M20 PolarHBondContact O-N 2.81Å; M20-E24 HydrophobicContact CB-CB 3.99Å; M20-E24 HydrophobicContact CG-CB 4.29Å; M20-E24 HydrophobicContact SD-CB 4.48Å; M20-A25 HydrophobicContact CB-CB 4.22Å; M20-A25 HydrophobicContact SD-CB 4.46Å
21T98.5Very high98Very high78 Ų7886.7 Ų86.748%0.47945%0.448SS..  trans-61.1158.3161.363.30000110.3E23 E24 A25T21-E23 PolarHBondContact O-N 2.71Å; T21-E24 WeakPolarHBondContact CB-OE2 3.13Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.25Å; T21-E24 PolarHBondContact N-OE2 3.26Å; T21-E24 PolarHBondContact O-N 3.13Å; T21-E24 WeakPolarHBondContact OG1-CB 3.35Å; T21-E24 VanDerWaalsContact OG1-CD 3.24Å; T21-E24 VanDerWaalsContact OG1-CG 3.25Å; T21-E24 WeakPolarHBondContact OG1-CG 3.36Å; T21-E24 PolarHBondContact OG1-N 2.88Å; T21-E24 PolarHBondContact OG1-OE2 3.28Å; T21-A25 PolarHBondContact O-N 3.45Å
22V98.4Very high98Very high117 Ų11787.5 Ų87.571%0.70945%0.452SS*.Hα-helixtrans-54.9-39.7176.1175.80000111.2L26V22-L26 HydrophobicContact CG1-CD1 3.97Å; V22-L26 HydrophobicContact CG1-CG 4.41Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 WeakPolarHBondContact O-CG 3.31Å; V22-L26 PolarHBondContact O-N 3.21Å
23E98.7Very high98.1Very high141 Ų14181.5 Ų81.566%0.65943%0.425SS*.Hα-helixtrans-65.1-46.7178.2-175.6172-170.100112.3T21 A25 L26 I27T21-E23 PolarHBondContact O-N 2.71Å; E23-A25 PolarHBondContact O-N 2.95Å; E23-L26 PolarHBondContact O-N 3.36Å; E23-I27 HydrophobicContact CG-CD1 3.93Å; E23-I27 WeakPolarHBondContact O-CG1 3.25Å; E23-I27 PolarHBondContact O-N 3.4Å
24E98.4Very high98.2Very high99 Ų9984.6 Ų84.646%0.46343%0.431SS..Hα-helixtrans-62.2-41.3177.5-72.7162.9145.500112.3M20 T21 I27 T28M20-E24 HydrophobicContact CB-CB 3.99Å; M20-E24 HydrophobicContact CG-CB 4.29Å; M20-E24 HydrophobicContact SD-CB 4.48Å; T21-E24 WeakPolarHBondContact CB-OE2 3.13Å; T21-E24 WeakPolarHBondContact CG2-OE2 3.25Å; T21-E24 PolarHBondContact N-OE2 3.26Å; T21-E24 PolarHBondContact O-N 3.13Å; T21-E24 WeakPolarHBondContact OG1-CB 3.35Å; T21-E24 VanDerWaalsContact OG1-CD 3.24Å; T21-E24 VanDerWaalsContact OG1-CG 3.25Å; T21-E24 WeakPolarHBondContact OG1-CG 3.36Å; T21-E24 PolarHBondContact OG1-N 2.88Å; T21-E24 PolarHBondContact OG1-OE2 3.28Å; E24-I27 PolarHBondContact O-N 3.48Å; E24-T28 WeakPolarHBondContact O-CB 3.46Å; E24-T28 PolarHBondContact O-N 2.72Å; E24-T28 PolarHBondContact O-OG1 3.4Å
25A98.3Very high98.2Very high26 Ų2688.2 Ų88.222%0.21545%0.447CS..Hα-helixtrans-63.2-42.2176.200000111.5L17 M20 T21 E23 T28 M29L17-A25 HydrophobicContact CD1-CB 4.09Å; M20-A25 HydrophobicContact CB-CB 4.22Å; M20-A25 HydrophobicContact SD-CB 4.46Å; T21-A25 PolarHBondContact O-N 3.45Å; E23-A25 PolarHBondContact O-N 2.95Å; A25-T28 PolarHBondContact O-N 2.88Å; A25-M29 WeakPolarHBondContact O-CB 3.47Å; A25-M29 PolarHBondContact O-N 3.33Å
26L98.5Very high98.3Very high111 Ų11184.6 Ų84.658%0.58143%0.43SS*.Hα-helixtrans-66.6-43.4176.9-71.5173000112.3V22 E23 T28 M29 N30V22-L26 HydrophobicContact CG1-CD1 3.97Å; V22-L26 HydrophobicContact CG1-CG 4.41Å; V22-L26 WeakPolarHBondContact O-CB 3.43Å; V22-L26 WeakPolarHBondContact O-CG 3.31Å; V22-L26 PolarHBondContact O-N 3.21Å; E23-L26 PolarHBondContact O-N 3.36Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 3.46Å; L26-M29 PolarHBondContact O-N 2.96Å; L26-N30 WeakPolarHBondContact O-CB 3.3Å; L26-N30 PolarHBondContact O-N 3.46Å
27I98.5Very high98.3Very high104 Ų10483 Ų8353%0.53343%0.428SS..Hα-helixtrans-61-44.2175.4-70.8168.9000110.3E23 E24 N30 K31E23-I27 HydrophobicContact CG-CD1 3.93Å; E23-I27 WeakPolarHBondContact O-CG1 3.25Å; E23-I27 PolarHBondContact O-N 3.4Å; E24-I27 PolarHBondContact O-N 3.48Å; I27-N30 PolarHBondContact O-N 3.48Å; I27-K31 WeakPolarHBondContact O-CB 3.26Å; I27-K31 PolarHBondContact O-N 2.99Å
28T98.2Very high98.3Very high25 Ų2584.8 Ų84.815%0.15344%0.438CS..Hα-helixtrans-65.4-45.3179.6-56.60000111.4A13 T14 E24 A25 L26 N30 K31 E32A13-T28 HydrophobicContact CB-CG2 4.28Å; T14-T28 HydrophobicContact CG2-CG2 3.54Å; E24-T28 WeakPolarHBondContact O-CB 3.46Å; E24-T28 PolarHBondContact O-N 2.72Å; E24-T28 PolarHBondContact O-OG1 3.4Å; A25-T28 PolarHBondContact O-N 2.88Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-T28 PolarHBondContact O-N 3.46Å; T28-N30 PolarHBondContact O-N 2.94Å; T28-K31 PolarHBondContact O-N 3.32Å; T28-E32 WeakPolarHBondContact O-CG 3.45Å; T28-E32 PolarHBondContact O-N 2.81Å; T28-E32 VanDerWaalsContact O-N 3.11Å
29M98.4Very high98.4Very high68 Ų6878.4 Ų78.434%0.33541%0.405SS..Hα-helixtrans-60.9-43.4175.2-174.4173168.100112.1A25 L26 K31 E32 D33 V187 L194A25-M29 WeakPolarHBondContact O-CB 3.47Å; A25-M29 PolarHBondContact O-N 3.33Å; L26-M29 PolarHBondContact O-N 2.96Å; M29-K31 PolarHBondContact O-N 2.93Å; M29-E32 WeakPolarHBondContact O-CB 3.49Å; M29-E32 PolarHBondContact O-N 3.37Å; M29-D33 PolarHBondContact O-N 2.73Å; M29-V187 HydrophobicContact CG-CG2 4.38Å; M29-L194 HydrophobicContact CE-CD2 3.98Å
30N98.7Very high98.4Very high87 Ų8771.7 Ų71.747%0.46537%0.374SS..Hα-helixtrans-62.6-41.1176.4-177.8-97.6000112.5L26 I27 T28 E32 D33 Q34L26-N30 WeakPolarHBondContact O-CB 3.3Å; L26-N30 PolarHBondContact O-N 3.46Å; I27-N30 PolarHBondContact O-N 3.48Å; T28-N30 PolarHBondContact O-N 2.94Å; N30-E32 VanDerWaalsContact C-N 3.27Å; N30-E32 PolarHBondContact O-N 3.11Å; N30-D33 PolarHBondContact O-N 3.34Å; N30-Q34 WeakPolarHBondContact O-CG 3.24Å; N30-Q34 PolarHBondContact O-N 2.95Å; N30-Q34 PolarHBondContact OD1-NE2 2.72Å
31K98.4Very high98.4Very high137 Ų13777.9 Ų77.960%0.59640%0.395SS*.Hα-helixtrans-60.8-38.5176.9-176.2-179.5177.2-175.20111.9I27 T28 M29I27-K31 WeakPolarHBondContact O-CB 3.26Å; I27-K31 PolarHBondContact O-N 2.99Å; T28-K31 PolarHBondContact O-N 3.32Å; M29-K31 PolarHBondContact O-N 2.93Å
32E98.3Very high98.4Very high31 Ų3182.5 Ų82.515%0.14541%0.408CS..Hα-helixtrans-67.3-43.9174.2-72.5-65.616200111.7N11 T28 M29 N30 Q34 Q35 V187 K195N11-E32 PolarHBondContact ND2-OE1 3.41Å; T28-E32 WeakPolarHBondContact O-CG 3.45Å; T28-E32 PolarHBondContact O-N 2.81Å; T28-E32 VanDerWaalsContact O-N 3.11Å; M29-E32 WeakPolarHBondContact O-CB 3.49Å; M29-E32 PolarHBondContact O-N 3.37Å; N30-E32 VanDerWaalsContact C-N 3.27Å; N30-E32 PolarHBondContact O-N 3.11Å; E32-Q34 VanDerWaalsContact C-N 3.29Å; E32-Q34 PolarHBondContact O-N 3.5Å; E32-Q35 WeakPolarHBondContact O-CB 3.38Å; E32-Q35 PolarHBondContact O-N 3Å; E32-V187 HydrophobicContact CB-CG1 3.96Å; E32-V187 HydrophobicContact CG-CG1 3.66Å; E32-K195 HydrophobicContact CB-CD 4Å; E32-K195 WeakPolarHBondContact O-CD 3.33Å; E32-K195 IonicContact OE2-NZ 3.39Å; E32-K195 PolarHBondContact OE2-NZ 3.12Å
33D98.5Very high98.4Very high51 Ų5177.3 Ų77.327%0.27338%0.378SS..Hα-helixtrans-60.7-35.5176.9-72.4-28.6000112.7M29 N30 Q35 V36 P37M29-D33 PolarHBondContact O-N 2.73Å; N30-D33 PolarHBondContact O-N 3.34Å; D33-Q35 PolarHBondContact O-N 2.79Å; D33-Q35 VanDerWaalsContact O-N 3.13Å; D33-V36 WeakPolarHBondContact O-CB 3.4Å; D33-V36 PolarHBondContact O-N 2.77Å; D33-P37 WeakPolarHBondContact O-CD 3.22Å
34Q98.5Very high98.4Very high114 Ų11474.5 Ų74.553%0.53337%0.366SS..THydrogen-bonded Turntrans-60-22.3176-71.417632.400113.3N30 E32 V36N30-Q34 WeakPolarHBondContact O-CG 3.24Å; N30-Q34 PolarHBondContact O-N 2.95Å; N30-Q34 PolarHBondContact OD1-NE2 2.72Å; E32-Q34 VanDerWaalsContact C-N 3.29Å; E32-Q34 PolarHBondContact O-N 3.5Å; Q34-V36 VanDerWaalsContact C-N 3.33Å
35Q97.3Very high98.4Very high87 Ų8774 Ų7441%0.40737%0.372SS..Hα-helixtrans-77.5-20.5177.2-55.1-50.5-55.500112.7E32 D33 L38 A39E32-Q35 WeakPolarHBondContact O-CB 3.38Å; E32-Q35 PolarHBondContact O-N 3Å; D33-Q35 PolarHBondContact O-N 2.79Å; D33-Q35 VanDerWaalsContact O-N 3.13Å; Q35-L38 WeakPolarHBondContact O-CB 3.46Å; Q35-L38 PolarHBondContact O-N 3.47Å; Q35-A39 PolarHBondContact O-N 3.41Å
36V98.7Very high98.4Very high0 Ų074.7 Ų74.70%037%0.37CS..Hα-helixtrans-64.5-50-172.6178.90000112.4D33 Q34 L38 A39 V40 V183 K195 T198 A199 L202D33-V36 WeakPolarHBondContact O-CB 3.4Å; D33-V36 PolarHBondContact O-N 2.77Å; Q34-V36 VanDerWaalsContact C-N 3.33Å; V36-L38 VanDerWaalsContact C-N 3.25Å; V36-L38 PolarHBondContact O-N 2.71Å; V36-A39 WeakPolarHBondContact O-CB 3.34Å; V36-A39 PolarHBondContact O-N 3.3Å; V36-A39 VanDerWaalsContact O-N 3.15Å; V36-V40 HydrophobicContact CG1-CG2 4.43Å; V36-V40 WeakPolarHBondContact O-CG2 3.39Å; V36-V40 PolarHBondContact O-N 2.82Å; V36-V183 HydrophobicContact CG1-CG1 4.45Å; V36-V183 HydrophobicContact CG2-CG1 4.4Å; V36-K195 HydrophobicContact CG2-CB 3.65Å; V36-K195 HydrophobicContact CG2-CD 4.03Å; V36-K195 HydrophobicContact CG2-CG 3.67Å; V36-T198 HydrophobicContact CB-CG2 4.33Å; V36-T198 HydrophobicContact CG1-CG2 3.83Å; V36-A199 HydrophobicContact CG1-CB 3.82Å; V36-L202 HydrophobicContact CG1-CD1 4.14Å
37P98.6Very high98.4Very high73 Ų7369.6 Ų69.647%0.47434%0.344SS..Hα-helixtrans-61.3-33.7175.9-2435.7000113.1D33 V40 R41 L202D33-P37 WeakPolarHBondContact O-CD 3.22Å; P37-V40 PolarHBondContact O-N 3Å; P37-R41 WeakPolarHBondContact O-CB 3.23Å; P37-R41 PolarHBondContact O-N 2.99Å; P37-L202 HydrophobicContact CG-CD1 4.4Å
38L98.5Very high98.4Very high93 Ų9367.5 Ų67.549%0.48734%0.336SS..Hα-helixtrans-67.3-37.6176.7-60.1178.6000111.7Q35 V36Q35-L38 WeakPolarHBondContact O-CB 3.46Å; Q35-L38 PolarHBondContact O-N 3.47Å; V36-L38 VanDerWaalsContact C-N 3.25Å; V36-L38 PolarHBondContact O-N 2.71Å
39A98.3Very high98.4Very high11 Ų1171.9 Ų71.99%0.09135%0.353CS..Hα-helixtrans-66.6-48.1172.600000111.2Q35 V36 R41 K42 V181 V183Q35-A39 PolarHBondContact O-N 3.41Å; V36-A39 WeakPolarHBondContact O-CB 3.34Å; V36-A39 PolarHBondContact O-N 3.3Å; V36-A39 VanDerWaalsContact O-N 3.15Å; A39-R41 VanDerWaalsContact C-N 3.28Å; A39-R41 PolarHBondContact O-N 3.21Å; A39-K42 WeakPolarHBondContact O-CB 3.48Å; A39-K42 PolarHBondContact O-N 3.33Å; A39-K42 VanDerWaalsContact O-N 3.08Å; A39-V181 HydrophobicContact CB-CG1 3.7Å; A39-V183 HydrophobicContact CB-CG1 4.21Å
40V98.7Very high98.5Very high2 Ų268.7 Ų68.71%0.01234%0.337CS..Hα-helixtrans-60.5-36.5178.4173.80000111.6V36 P37 K42 A43 V181 A199 L202 I203 M206V36-V40 HydrophobicContact CG1-CG2 4.43Å; V36-V40 WeakPolarHBondContact O-CG2 3.39Å; V36-V40 PolarHBondContact O-N 2.82Å; P37-V40 PolarHBondContact O-N 3Å; V40-K42 PolarHBondContact O-N 3.1Å; V40-K42 VanDerWaalsContact O-N 3.14Å; V40-A43 WeakPolarHBondContact O-CB 3.43Å; V40-A43 PolarHBondContact O-N 3.16Å; V40-V181 HydrophobicContact CG2-CG1 3.98Å; V40-A199 HydrophobicContact CG2-CB 4.06Å; V40-L202 HydrophobicContact CG2-CB 4.39Å; V40-L202 HydrophobicContact CG2-CD1 4.31Å; V40-I203 HydrophobicContact CG1-CG1 4.21Å; V40-I203 HydrophobicContact CG2-CG1 4.4Å; V40-M206 HydrophobicContact CG1-CE 3.86Å; V40-M206 HydrophobicContact CG1-SD 4.03Å
41R98.5Very high98.5Very high180 Ų18065.4 Ų65.468%0.67932%0.319SS*.Hα-helixtrans-53-36.3175.2-179.6-178.4176179.3-0.3112.5P37 A39 A43 I44P37-R41 WeakPolarHBondContact O-CB 3.23Å; P37-R41 PolarHBondContact O-N 2.99Å; A39-R41 VanDerWaalsContact C-N 3.28Å; A39-R41 PolarHBondContact O-N 3.21Å; R41-A43 PolarHBondContact O-N 3.02Å; R41-I44 HydrophobicContact CB-CD1 4.42Å; R41-I44 HydrophobicContact CG-CD1 4.04Å; R41-I44 WeakPolarHBondContact O-CB 3.37Å; R41-I44 WeakPolarHBondContact O-CG1 3.48Å; R41-I44 PolarHBondContact O-N 2.95Å
42K98.3Very high98.5Very high176 Ų17665.9 Ų65.977%0.76532%0.321SS*.Hα-helixtrans-67.3-24.2179.8-60.5175.6-177.1175.90112.5A39 V40A39-K42 WeakPolarHBondContact O-CB 3.48Å; A39-K42 PolarHBondContact O-N 3.33Å; A39-K42 VanDerWaalsContact O-N 3.08Å; V40-K42 PolarHBondContact O-N 3.1Å; V40-K42 VanDerWaalsContact O-N 3.14Å
43A97.8Very high98.5Very high8 Ų867.3 Ų67.37%0.06633%0.327CS..Hα-helixtrans-85.1-7.8178.300000114.4V40 R41 P45 Q46 L47 V179 V181V40-A43 WeakPolarHBondContact O-CB 3.43Å; V40-A43 PolarHBondContact O-N 3.16Å; R41-A43 PolarHBondContact O-N 3.02Å; A43-P45 VanDerWaalsContact C-CD 3.44Å; A43-Q46 PolarHBondContact O-N 3.02Å; A43-L47 HydrophobicContact CB-CD1 4.2Å; A43-L47 HydrophobicContact CB-CG 4.29Å; A43-L47 WeakPolarHBondContact O-CG 3.35Å; A43-L47 PolarHBondContact O-N 3.39Å; A43-V179 HydrophobicContact CB-CG1 4.06Å; A43-V181 HydrophobicContact CB-CG2 3.75Å
44I98.6Very high98.5Very high81 Ų8165 Ų6542%0.41532%0.315SS..Hα-helixtrans-50.1-44.1-177.5-71173.5000113.8R41 Q46 L47 T48R41-I44 HydrophobicContact CB-CD1 4.42Å; R41-I44 HydrophobicContact CG-CD1 4.04Å; R41-I44 WeakPolarHBondContact O-CB 3.37Å; R41-I44 WeakPolarHBondContact O-CG1 3.48Å; R41-I44 PolarHBondContact O-N 2.95Å; I44-Q46 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 2.86Å; I44-T48 WeakPolarHBondContact O-CB 3.49Å; I44-T48 PolarHBondContact O-N 3.47Å; I44-T48 PolarHBondContact O-OG1 3.32Å
45P98.6Very high98.5Very high89 Ų8961 Ų6158%0.57830%0.297SS*.Hα-helixtrans-59-36.1178.9-26.336.2000113.2A43 T48A43-P45 VanDerWaalsContact C-CD 3.44Å; P45-T48 WeakPolarHBondContact O-CB 3.49Å
46Q98.4Very high98.5Very high40 Ų4058.9 Ų58.919%0.18729%0.294CS..Hα-helixtrans-83.4-40.5-178.5-173.459.312.100111.6A43 I44 T48 K49 V50 P178 V179A43-Q46 PolarHBondContact O-N 3.02Å; I44-Q46 PolarHBondContact O-N 3.36Å; Q46-T48 PolarHBondContact O-N 2.98Å; Q46-K49 WeakPolarHBondContact O-CB 3.38Å; Q46-K49 PolarHBondContact O-N 2.98Å; Q46-V50 PolarHBondContact O-N 2.91Å; Q46-P178 VanDerWaalsContact CD-O 3.31Å; Q46-P178 WeakPolarHBondContact CG-O 3.06Å; Q46-P178 PolarHBondContact NE2-O 3.3Å; Q46-V179 HydrophobicContact CG-CG2 4.15Å
47L98.6Very high98.5Very high4 Ų459.4 Ų59.42%0.02130%0.297CS..Hα-helixtrans-55.7-37.4168.9-69173.8000111.5A43 I44 K49 V50 I51 V179 I203 M206 I207A43-L47 HydrophobicContact CB-CD1 4.2Å; A43-L47 HydrophobicContact CB-CG 4.29Å; A43-L47 WeakPolarHBondContact O-CG 3.35Å; A43-L47 PolarHBondContact O-N 3.39Å; I44-L47 PolarHBondContact O-N 2.86Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.22Å; L47-V50 PolarHBondContact O-N 3.43Å; L47-I51 HydrophobicContact CB-CD1 4.43Å; L47-I51 WeakPolarHBondContact O-CB 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.33Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.21Å; L47-V179 HydrophobicContact CD2-CG1 3.91Å; L47-V179 HydrophobicContact CD2-CG2 4.12Å; L47-V179 HydrophobicContact CG-CG1 4.38Å; L47-I203 HydrophobicContact CD2-CG2 3.65Å; L47-M206 HydrophobicContact CD1-SD 3.98Å; L47-I207 HydrophobicContact CD2-CD1 4.24Å; L47-I207 HydrophobicContact CD2-CG1 4.26Å
48T98.8Very high98.5Very high61 Ų6157.1 Ų57.137%0.37428%0.279SS..Hα-helixtrans-59.2-41.2175.1-60.30000111.9I44 P45 Q46 K52I44-T48 WeakPolarHBondContact O-CB 3.49Å; I44-T48 PolarHBondContact O-N 3.47Å; I44-T48 PolarHBondContact O-OG1 3.32Å; P45-T48 WeakPolarHBondContact O-CB 3.49Å; Q46-T48 PolarHBondContact O-N 2.98Å; T48-K52 HydrophobicContact CG2-CD 4.33Å; T48-K52 WeakPolarHBondContact O-CB 3.38Å; T48-K52 VanDerWaalsContact O-CG 3.29Å; T48-K52 WeakPolarHBondContact O-CG 3.46Å; T48-K52 PolarHBondContact O-N 3.14Å; T48-K52 VanDerWaalsContact O-N 3.12Å
49K98.7Very high98.3Very high117 Ų11758 Ų5851%0.50928%0.278SS..Hα-helixtrans-68.9-45.4176.9-62.1179.2-165.3162.30111.2Q46 L47 K52 K53 Y177Q46-K49 WeakPolarHBondContact O-CB 3.38Å; Q46-K49 PolarHBondContact O-N 2.98Å; L47-K49 VanDerWaalsContact C-N 3.3Å; L47-K49 PolarHBondContact O-N 3.22Å; K49-K52 PolarHBondContact O-N 2.82Å; K49-K53 WeakPolarHBondContact O-CB 3.27Å; K49-K53 PolarHBondContact O-N 3.3Å; K49-Y177 HydrophobicContact CB-CD1 4.03Å; K49-Y177 HydrophobicContact CB-CE1 4.05Å
50V98.8Very high98.3Very high0 Ų063.6 Ų63.60%030%0.301CS..Hα-helixtrans-55.1-57.4175.9170.60000109.9Q46 L47 K52 K53 T54 V161 Y177 V179 I207Q46-V50 PolarHBondContact O-N 2.91Å; L47-V50 PolarHBondContact O-N 3.43Å; V50-K52 PolarHBondContact O-N 3.34Å; V50-K53 CarbonylContact O-C 3.55Å; V50-K53 WeakPolarHBondContact O-CB 3.42Å; V50-K53 PolarHBondContact O-N 2.92Å; V50-T54 PolarHBondContact O-N 2.88Å; V50-T54 PolarHBondContact O-OG1 2.91Å; V50-V161 HydrophobicContact CG1-CG1 4.01Å; V50-V161 HydrophobicContact CG1-CG2 3.92Å; V50-V161 HydrophobicContact CG2-CG1 3.79Å; V50-V161 HydrophobicContact CG2-CG2 4.25Å; V50-Y177 HydrophobicContact CG2-CD1 4.46Å; V50-Y177 HydrophobicContact CG2-CG 4.33Å; V50-V179 HydrophobicContact CG2-CG2 3.94Å; V50-I207 HydrophobicContact CG1-CD1 4.03Å; V50-I207 HydrophobicContact CG1-CG1 4.25Å
51I98.8Very high98.2Very high18 Ų1866.4 Ų66.49%0.09233%0.33CS..Hα-helixtrans-59.3-44.6-176.8-70.5162.9000111.7L47 K53 T54 I55 I207 I210L47-I51 HydrophobicContact CB-CD1 4.43Å; L47-I51 WeakPolarHBondContact O-CB 3.3Å; L47-I51 WeakPolarHBondContact O-CD1 3.33Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.44Å; L47-I51 PolarHBondContact O-N 3.21Å; I51-K53 VanDerWaalsContact C-N 3.32Å; I51-K53 PolarHBondContact O-N 3.08Å; I51-T54 PolarHBondContact O-N 2.92Å; I51-I55 HydrophobicContact CG2-CD1 3.73Å; I51-I55 HydrophobicContact CG2-CG1 4.39Å; I51-I55 WeakPolarHBondContact O-CD1 3.5Å; I51-I55 VanDerWaalsContact O-CG1 3.23Å; I51-I55 WeakPolarHBondContact O-CG1 3.25Å; I51-I55 PolarHBondContact O-N 2.97Å; I51-I207 HydrophobicContact CG1-CG1 4.25Å; I51-I210 HydrophobicContact CD1-CB 4.13Å; I51-I210 HydrophobicContact CD1-CG2 4.46Å; I51-I210 HydrophobicContact CG2-CB 3.97Å; I51-I210 HydrophobicContact CG2-CG2 3.63Å
52K98.7Very high98.1Very high147 Ų14758.1 Ų58.164%0.63930%0.301SS*.Hα-helixtrans-59.6-42.9175.9-78.1178.9177.8-178.20112T48 K49 V50 A56T48-K52 HydrophobicContact CG2-CD 4.33Å; T48-K52 WeakPolarHBondContact O-CB 3.38Å; T48-K52 VanDerWaalsContact O-CG 3.29Å; T48-K52 WeakPolarHBondContact O-CG 3.46Å; T48-K52 PolarHBondContact O-N 3.14Å; T48-K52 VanDerWaalsContact O-N 3.12Å; K49-K52 PolarHBondContact O-N 2.82Å; V50-K52 PolarHBondContact O-N 3.34Å; K52-A56 PolarHBondContact O-N 3.49Å; K52-A56 VanDerWaalsContact O-N 3.12Å
53K98.7Very high98.2Very high62 Ų6252 Ų5227%0.2727%0.273SS..Hα-helixtrans-66.7-43.4177.5-179.164.4178.1-173.30111.1K49 V50 I51 A56 Q57 T159 Y177K49-K53 WeakPolarHBondContact O-CB 3.27Å; K49-K53 PolarHBondContact O-N 3.3Å; V50-K53 CarbonylContact O-C 3.55Å; V50-K53 WeakPolarHBondContact O-CB 3.42Å; V50-K53 PolarHBondContact O-N 2.92Å; I51-K53 VanDerWaalsContact C-N 3.32Å; I51-K53 PolarHBondContact O-N 3.08Å; K53-A56 PolarHBondContact O-N 2.95Å; K53-Q57 HydrophobicContact CD-CG 4.44Å; K53-Q57 WeakPolarHBondContact O-CG 3.39Å; K53-Q57 PolarHBondContact O-N 3.43Å; K53-T159 HydrophobicContact CD-CG2 4.45Å; K53-T159 WeakPolarHBondContact CE-OG1 3.14Å; K53-T159 HydrophobicContact CG-CG2 3.6Å; K53-Y177 HydrophobicContact CB-CE2 4.45Å; K53-Y177 HydrophobicContact CG-CE2 3.92Å
54T98.7Very high98.2Very high2 Ų251.7 Ų51.71%0.01227%0.27CS..Hα-helixtrans-60.9-45.7176.2-52.30000111.6V50 I51 A56 Q57 Y58 L64 V133 T211V50-T54 PolarHBondContact O-N 2.88Å; V50-T54 PolarHBondContact O-OG1 2.91Å; I51-T54 PolarHBondContact O-N 2.92Å; T54-A56 VanDerWaalsContact C-N 3.29Å; T54-A56 PolarHBondContact O-N 3.4Å; T54-Q57 PolarHBondContact O-N 2.86Å; T54-Y58 VanDerWaalsContact O-CB 3.3Å; T54-Y58 WeakPolarHBondContact O-CB 3.23Å; T54-Y58 PolarHBondContact O-N 3.19Å; T54-L64 HydrophobicContact CG2-CD1 3.98Å; T54-L64 HydrophobicContact CG2-CD2 4.35Å; T54-V133 HydrophobicContact CG2-CG2 4.3Å; T54-T211 HydrophobicContact CG2-CG2 3.84Å; T54-T211 WeakPolarHBondContact CG2-OG1 3.4Å
55I98.4Very high98.2Very high30 Ų3047.9 Ų47.915%0.15425%0.25CS..Hα-helixtrans-57.1-44.5174.3-68.2160.7000110.9I51 K59 T211 V215I51-I55 HydrophobicContact CG2-CD1 3.73Å; I51-I55 HydrophobicContact CG2-CG1 4.39Å; I51-I55 WeakPolarHBondContact O-CD1 3.5Å; I51-I55 VanDerWaalsContact O-CG1 3.23Å; I51-I55 WeakPolarHBondContact O-CG1 3.25Å; I51-I55 PolarHBondContact O-N 2.97Å; I55-K59 HydrophobicContact CG2-CD 4.17Å; I55-K59 WeakPolarHBondContact O-CB 3.33Å; I55-K59 WeakPolarHBondContact O-CG 3.33Å; I55-K59 PolarHBondContact O-N 2.65Å; I55-K59 VanDerWaalsContact O-N 3.08Å; I55-T211 HydrophobicContact CG1-CG2 4.25Å; I55-V215 HydrophobicContact CG2-CG1 4.21Å
56A98.2Very high98.2Very high43 Ų4343.7 Ų43.736%0.35522%0.223SC..Hα-helixtrans-66.6-35.8-179.500000112.9K52 K53 T54 K60K52-A56 PolarHBondContact O-N 3.49Å; K52-A56 VanDerWaalsContact O-N 3.12Å; K53-A56 PolarHBondContact O-N 2.95Å; T54-A56 VanDerWaalsContact C-N 3.29Å; T54-A56 PolarHBondContact O-N 3.4Å; A56-K60 WeakPolarHBondContact O-CG 3.38Å
57Q98.3Very high98.2Very high11 Ų1141.8 Ų41.85%0.05121%0.214CC..Hα-helixtrans-73.9-43.9176.7-73.6-65.27600111.7K53 T54 K59 K60 G62 S130 K131 V133 T159K53-Q57 HydrophobicContact CD-CG 4.44Å; K53-Q57 WeakPolarHBondContact O-CG 3.39Å; K53-Q57 PolarHBondContact O-N 3.43Å; T54-Q57 PolarHBondContact O-N 2.86Å; Q57-K59 VanDerWaalsContact C-N 3.31Å; Q57-K59 PolarHBondContact O-N 2.97Å; Q57-K60 WeakPolarHBondContact O-CA 3.35Å; Q57-K60 WeakPolarHBondContact O-CB 3.31Å; Q57-K60 PolarHBondContact O-N 3.47Å; Q57-G62 PolarHBondContact O-N 2.9Å; Q57-S130 PolarHBondContact NE2-O 3.28Å; Q57-S130 VanDerWaalsContact NE2-O 3.09Å; Q57-K131 VanDerWaalsContact CB-O 3.3Å; Q57-K131 WeakPolarHBondContact CB-O 3.23Å; Q57-K131 VanDerWaalsContact CD-O 3.28Å; Q57-K131 PolarHBondContact NE2-O 2.95Å; Q57-K131 VanDerWaalsContact NE2-O 3.1Å; Q57-V133 HydrophobicContact CB-CG2 3.69Å; Q57-V133 HydrophobicContact CG-CG2 3.84Å; Q57-T159 PolarHBondContact NE2-OG1 2.79Å
58Y97.5Very high98.2Very high25 Ų2541.6 Ų41.610%0.09821%0.213CC..Hα-helixtrans-57.5-44.5176.6-160-78.9000111.5T54 K60 G61 G62 E93 I94 T211 M212 V215T54-Y58 VanDerWaalsContact O-CB 3.3Å; T54-Y58 WeakPolarHBondContact O-CB 3.23Å; T54-Y58 PolarHBondContact O-N 3.19Å; Y58-K60 PolarHBondContact O-N 3.4Å; Y58-K60 VanDerWaalsContact O-N 3.1Å; Y58-G61 PolarHBondContact O-N 3.08Å; Y58-G62 WeakPolarHBondContact CA-O 3.31Å; Y58-E93 HydrophobicContact CE2-CB 4.24Å; Y58-E93 WeakPolarHBondContact OH-CB 3.26Å; Y58-E93 PolarHBondContact OH-OE1 3.44Å; Y58-E93 PolarHBondContact OH-OE2 3.5Å; Y58-I94 HydrophobicContact CE2-CG1 4.48Å; Y58-T211 HydrophobicContact CD2-CG2 4.45Å; Y58-M212 HydrophobicContact CD2-CE 4.04Å; Y58-M212 HydrophobicContact CE1-CE 4.32Å; Y58-M212 HydrophobicContact CE2-CE 3.38Å; Y58-V215 HydrophobicContact CD1-CB 4.24Å; Y58-V215 HydrophobicContact CD1-CG1 3.77Å; Y58-V215 HydrophobicContact CD1-CG2 4.15Å; Y58-V215 HydrophobicContact CE1-CG2 4.18Å; Y58-V215 HydrophobicContact CG-CG1 4.19Å
59K95.8Very high98.2Very high110 Ų11039.2 Ų39.248%0.47820%0.199SC..THydrogen-bonded Turntrans-63.1-16175.4-73.3-179.1178.9-179.80114.8I55 Q57 G61 G214 V215I55-K59 HydrophobicContact CG2-CD 4.17Å; I55-K59 WeakPolarHBondContact O-CB 3.33Å; I55-K59 WeakPolarHBondContact O-CG 3.33Å; I55-K59 PolarHBondContact O-N 2.65Å; I55-K59 VanDerWaalsContact O-N 3.08Å; Q57-K59 VanDerWaalsContact C-N 3.31Å; Q57-K59 PolarHBondContact O-N 2.97Å; K59-G61 VanDerWaalsContact C-N 3.34Å; K59-G214 WeakPolarHBondContact CE-O 3.36Å; K59-G214 PolarHBondContact NZ-O 2.92Å; K59-V215 HydrophobicContact CG-CG1 4.04Å
60K96.5Very high98Very high130 Ų13035 Ų3557%0.56519%0.189SC*.THydrogen-bonded Turntrans-93.26174.4-65.8173.2-177.2-178.20112.8A56 Q57 Y58 K131A56-K60 WeakPolarHBondContact O-CG 3.38Å; Q57-K60 WeakPolarHBondContact O-CA 3.35Å; Q57-K60 WeakPolarHBondContact O-CB 3.31Å; Q57-K60 PolarHBondContact O-N 3.47Å; Y58-K60 PolarHBondContact O-N 3.4Å; Y58-K60 VanDerWaalsContact O-N 3.1Å; K60-K131 WeakPolarHBondContact O-CD 3.45Å; K60-K131 PolarHBondContact O-NZ 3.4Å
61G96.5Very high98Very high60 Ų6037.1 Ų37.162%0.61920%0.202SC*.THydrogen-bonded Turntrans7924.8-173.500000113.4Y58 K59Y58-G61 PolarHBondContact O-N 3.08Å; K59-G61 VanDerWaalsContact C-N 3.34Å
62G98.3Very high97.9Very high6 Ų636.9 Ų36.96%0.06220%0.202CC..PPolyproline II helixtrans-84.8155.9170.700000111.9Q57 Y58 K131Q57-G62 PolarHBondContact O-N 2.9Å; Y58-G62 WeakPolarHBondContact CA-O 3.31Å; G62-K131 WeakPolarHBondContact CA-O 3.23Å
63R98.6Very high97.9Very high49 Ų4930 Ų3019%0.18517%0.172CC..PPolyproline II helixtrans-101.7159.9-179.7-56.6168.4-67.8176.60.8111.4I65 H92 E93 I126 D127 D132 V133R63-I65 HydrophobicContact CB-CG1 4.27Å; R63-H92 WeakPolarHBondContact CD-O 3.4Å; R63-H92 VanDerWaalsContact CG-O 3.32Å; R63-H92 WeakPolarHBondContact CG-O 3.34Å; R63-E93 WeakPolarHBondContact CA-O 3.26Å; R63-E93 WeakPolarHBondContact CB-O 3.46Å; R63-I126 PolarHBondContact NH1-O 3Å; R63-I126 PolarHBondContact NH2-O 2.78Å; R63-D127 PolarHBondContact NH2-O 2.81Å; R63-D132 WeakPolarHBondContact CB-OD1 3.35Å; R63-D132 IonicContact CZ-OD1 2.64Å; R63-D132 IonicContact CZ-OD2 3.97Å; R63-D132 PolarHBondContact N-OD1 3.45Å; R63-D132 IonicContact NE-OD1 2.58Å; R63-D132 PolarHBondContact NE-OD1 3.06Å; R63-D132 VanDerWaalsContact NE-OD1 3.11Å; R63-D132 IonicContact NE-OD2 3.11Å; R63-D132 PolarHBondContact NE-OD2 3.38Å; R63-D132 IonicContact NH2-OD1 3.89Å; R63-D132 IonicContact NH2-OD2 3.93Å; R63-D132 PolarHBondContact NH2-OD2 3.49Å; R63-D132 WeakPolarHBondContact O-CA 3.23Å; R63-V133 PolarHBondContact O-N 3.3Å
64L98.7Very high97.9Very high1 Ų130.3 Ų30.31%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-103.1117169.7-179.359.7000109.4T54 Y66 E93 I94 I95 V133 I135 I207T54-L64 HydrophobicContact CG2-CD1 3.98Å; T54-L64 HydrophobicContact CG2-CD2 4.35Å; L64-Y66 HydrophobicContact CD1-CE1 4.25Å; L64-Y66 HydrophobicContact CD2-CE1 4.05Å; L64-Y66 VanDerWaalsContact CD2-OH 3.32Å; L64-Y66 WeakPolarHBondContact CD2-OH 3.38Å; L64-Y66 HydrophobicContact CG-CE1 4Å; L64-E93 PolarHBondContact N-O 3.36Å; L64-I94 HydrophobicContact CB-CG1 4.3Å; L64-I94 HydrophobicContact CB-CG2 4.23Å; L64-I94 HydrophobicContact CD2-CG2 4.27Å; L64-I94 HydrophobicContact CG-CG2 4.33Å; L64-I94 CarbonylContact O-C 3.55Å; L64-I94 VanDerWaalsContact O-CA 3.26Å; L64-I94 WeakPolarHBondContact O-CA 3.48Å; L64-I95 PolarHBondContact O-N 3.35Å; L64-V133 HydrophobicContact CD1-CB 4.07Å; L64-V133 HydrophobicContact CD1-CG1 4.1Å; L64-I135 HydrophobicContact CD1-CD1 3.67Å; L64-I135 HydrophobicContact CD1-CG1 3.82Å; L64-I207 HydrophobicContact CD2-CG2 4.09Å
65I98.9Very high97.9Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-119.9115.7-172.1-57.9160.3000108.9R63 I67 I95 I97 L123 I126 L128 D132 V133 V134 I135R63-I65 HydrophobicContact CB-CG1 4.27Å; I65-I67 HydrophobicContact CG2-CG2 4.16Å; I65-I95 CarbonylContact C-O 3.31Å; I65-I95 WeakPolarHBondContact CA-O 3.42Å; I65-I95 HydrophobicContact CG1-CB 4.43Å; I65-I97 HydrophobicContact CG2-CD1 3.9Å; I65-I97 HydrophobicContact CG2-CG1 4.35Å; I65-L123 HydrophobicContact CG2-CD2 3.9Å; I65-I126 HydrophobicContact CD1-CD1 3.59Å; I65-I126 HydrophobicContact CG1-CD1 3.99Å; I65-I126 HydrophobicContact CG2-CD1 3.99Å; I65-L128 HydrophobicContact CD1-CD1 3.48Å; I65-L128 VanDerWaalsContact CD1-CD1 3.48Å; I65-D132 HydrophobicContact CD1-CB 3.87Å; I65-V133 PolarHBondContact N-O 2.99Å; I65-V134 HydrophobicContact CB-CG2 4.44Å; I65-V134 HydrophobicContact CD1-CG2 4.42Å; I65-V134 CarbonylContact O-C 3.57Å; I65-V134 WeakPolarHBondContact O-CA 3.21Å; I65-I135 PolarHBondContact O-N 3.17Å
66Y98.9Very high97.9Very high1 Ų130 Ų300%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-90.1132.9172.2-54.2-56.1000110.1L64 G76 D79 A80 I94 I95 I97 I135 I137 L204L64-Y66 HydrophobicContact CD1-CE1 4.25Å; L64-Y66 HydrophobicContact CD2-CE1 4.05Å; L64-Y66 VanDerWaalsContact CD2-OH 3.32Å; L64-Y66 WeakPolarHBondContact CD2-OH 3.38Å; L64-Y66 HydrophobicContact CG-CE1 4Å; Y66-G76 WeakPolarHBondContact CD2-O 3.33Å; Y66-D79 HydrophobicContact CE2-CB 4.12Å; Y66-D79 VanDerWaalsContact CE2-OD2 3.22Å; Y66-D79 WeakPolarHBondContact CE2-OD2 3.27Å; Y66-D79 VanDerWaalsContact CZ-OD2 3.24Å; Y66-D79 PolarHBondContact OH-OD2 3.46Å; Y66-A80 HydrophobicContact CD2-CB 4.18Å; Y66-A80 HydrophobicContact CE2-CB 4.32Å; Y66-I94 HydrophobicContact CD2-CG2 4.39Å; Y66-I94 HydrophobicContact CE2-CG2 3.74Å; Y66-I95 PolarHBondContact N-O 3.48Å; Y66-I97 PolarHBondContact O-N 3.21Å; Y66-I135 HydrophobicContact CD1-CB 3.9Å; Y66-I135 HydrophobicContact CD1-CD1 4.47Å; Y66-I135 HydrophobicContact CD1-CG1 4.34Å; Y66-I135 HydrophobicContact CD1-CG2 4.34Å; Y66-I135 HydrophobicContact CE1-CB 4.36Å; Y66-I135 HydrophobicContact CE1-CD1 4.06Å; Y66-I135 HydrophobicContact CE1-CG1 4.38Å; Y66-I137 HydrophobicContact CD1-CD1 4.44Å; Y66-L204 HydrophobicContact CD1-CD2 3.66Å; Y66-L204 HydrophobicContact CE1-CD2 3.47Å; Y66-L204 VanDerWaalsContact CE1-CD2 3.47Å; Y66-L204 HydrophobicContact CG-CD2 4.39Å
67I98.7Very high97.9Very high1 Ų129.6 Ų29.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-126.1136.9171.369.6174.1000110.2I65 I97 L123 V134 I135 I137 Y145I65-I67 HydrophobicContact CG2-CG2 4.16Å; I67-I97 WeakPolarHBondContact CA-O 3.32Å; I67-I97 HydrophobicContact CG2-CB 4.22Å; I67-I97 HydrophobicContact CG2-CD1 4.4Å; I67-L123 HydrophobicContact CG2-CD2 4.16Å; I67-V134 HydrophobicContact CD1-CG1 3.93Å; I67-V134 HydrophobicContact CG1-CG1 4.2Å; I67-V134 HydrophobicContact CG2-CG1 4.23Å; I67-I135 PolarHBondContact N-O 3.2Å; I67-I137 PolarHBondContact O-N 2.77Å; I67-Y145 HydrophobicContact CB-CE1 4.11Å
68G98.5Very high97.9Very high0 Ų032.4 Ų32.40%018%0.179CC..EExtended strand (participates in β ladder)trans-171174.5176.300000112.9I97 I98 A99G68-I97 PolarHBondContact N-O 3.16Å; G68-I98 CarbonylContact O-C 3.55Å; G68-I98 WeakPolarHBondContact O-CA 3.03Å; G68-A99 PolarHBondContact O-N 3.21Å
69A97.1Very high97.9Very high10 Ų1031.4 Ų31.48%0.08318%0.175CC..SBendtrans-117.9159172.300000110.9T71 S72 G73 A99 E113 T143A69-T71 PolarHBondContact O-N 3.38Å; A69-S72 WeakPolarHBondContact O-CB 3.28Å; A69-S72 PolarHBondContact O-N 3.1Å; A69-G73 PolarHBondContact O-N 3.48Å; A69-G73 VanDerWaalsContact O-N 3.11Å; A69-A99 HydrophobicContact CB-CB 3.77Å; A69-E113 HydrophobicContact CB-CB 3.45Å; A69-E113 VanDerWaalsContact CB-CB 3.45Å; A69-T143 HydrophobicContact CB-CG2 4.29Å
70G96.2Very high98.1Very high28 Ų2826.4 Ų26.429%0.28915%0.154SC..Hα-helixtrans50.3-132.8177.200000112.8S72 G73 R74G70-S72 VanDerWaalsContact C-N 3.27Å; G70-S72 PolarHBondContact O-N 3.21Å; G70-G73 PolarHBondContact O-N 2.84Å; G70-R74 WeakPolarHBondContact O-CG 3.01Å; G70-R74 PolarHBondContact O-N 3.31Å
71T97.3Very high98Very high46 Ų4623.1 Ų23.128%0.28215%0.151SC..Hα-helixtrans-57.1-38.7178.1-55.80000112.9A69 G73 R74 L75 R193A69-T71 PolarHBondContact O-N 3.38Å; T71-G73 PolarHBondContact O-N 2.86Å; T71-R74 PolarHBondContact O-N 3.35Å; T71-L75 HydrophobicContact CG2-CD1 3.97Å; T71-L75 HydrophobicContact CG2-CG 4.26Å; T71-L75 WeakPolarHBondContact O-CG 3.38Å; T71-L75 PolarHBondContact O-N 2.76Å; T71-R193 HydrophobicContact CG2-CB 4.12Å; T71-R193 WeakPolarHBondContact OG1-CB 3.46Å
72S98.3Very high98Very high13 Ų1324.1 Ų24.19%0.09114%0.14CC..Hα-helixtrans-63.3-45.3-178.7-60.70000111A69 G70 L75 G76 I137 Q200A69-S72 WeakPolarHBondContact O-CB 3.28Å; A69-S72 PolarHBondContact O-N 3.1Å; G70-S72 VanDerWaalsContact C-N 3.27Å; G70-S72 PolarHBondContact O-N 3.21Å; S72-L75 PolarHBondContact O-N 2.86Å; S72-G76 PolarHBondContact O-N 2.78Å; S72-I137 VanDerWaalsContact CB-O 3.23Å; S72-I137 WeakPolarHBondContact CB-O 3.43Å; S72-Q200 PolarHBondContact OG-NE2 2.85Å; S72-Q200 PolarHBondContact OG-OE1 3.11Å
73G98Very high97.9Very high1 Ų123.9 Ų23.91%0.0114%0.137CC..Hα-helixtrans-64.9-42.5175.200000112.7A69 G70 T71 L75 G76 V77A69-G73 PolarHBondContact O-N 3.48Å; A69-G73 VanDerWaalsContact O-N 3.11Å; G70-G73 PolarHBondContact O-N 2.84Å; T71-G73 PolarHBondContact O-N 2.86Å; G73-L75 VanDerWaalsContact C-N 3.33Å; G73-L75 PolarHBondContact O-N 3.05Å; G73-G76 PolarHBondContact O-N 3.34Å; G73-V77 WeakPolarHBondContact O-CG2 3.28Å; G73-V77 PolarHBondContact O-N 3.14Å
74R98.3Very high97.6Very high69 Ų6923.2 Ų23.226%0.2614%0.139SC..Hα-helixtrans-61.5-39.9177.8-68.6-179.7-165.8106.35112.4G70 T71 V77 L78 I98 A104 M105 M107G70-R74 WeakPolarHBondContact O-CG 3.01Å; G70-R74 PolarHBondContact O-N 3.31Å; T71-R74 PolarHBondContact O-N 3.35Å; R74-V77 PolarHBondContact O-N 3.05Å; R74-L78 WeakPolarHBondContact O-CB 3.28Å; R74-L78 PolarHBondContact O-N 2.97Å; R74-I98 HydrophobicContact CG-CD1 3.58Å; R74-A104 VanDerWaalsContact CZ-O 3.31Å; R74-A104 PolarHBondContact NE-O 3.39Å; R74-A104 PolarHBondContact NH2-O 3.24Å; R74-M105 HydrophobicContact CB-CE 4.4Å; R74-M105 HydrophobicContact CB-SD 4.45Å; R74-M105 HydrophobicContact CG-CE 4.3Å; R74-M105 HydrophobicContact CG-SD 3.99Å; R74-M105 PolarHBondContact NE-O 2.93Å; R74-M107 PolarHBondContact NH2-O 2.96Å
75L98.7Very high97.1Very high26 Ų2626.9 Ų26.914%0.13616%0.162CC..Hα-helixtrans-66.2-37.5176.2-72.5172.3000112.1T71 S72 G73 L78 D79 G197 Q200 K201 L204T71-L75 HydrophobicContact CG2-CD1 3.97Å; T71-L75 HydrophobicContact CG2-CG 4.26Å; T71-L75 WeakPolarHBondContact O-CG 3.38Å; T71-L75 PolarHBondContact O-N 2.76Å; S72-L75 PolarHBondContact O-N 2.86Å; G73-L75 VanDerWaalsContact C-N 3.33Å; G73-L75 PolarHBondContact O-N 3.05Å; L75-L78 HydrophobicContact CD2-CD2 4.33Å; L75-L78 PolarHBondContact O-N 3.3Å; L75-D79 PolarHBondContact O-N 3.37Å; L75-G197 WeakPolarHBondContact CD1-O 3.36Å; L75-Q200 HydrophobicContact CD1-CB 3.92Å; L75-K201 HydrophobicContact CD2-CB 4.16Å; L75-K201 HydrophobicContact CD2-CG 4.47Å; L75-L204 HydrophobicContact CB-CD1 4Å
76G98.6Very high96.7Very high1 Ų128.8 Ų28.81%0.0117%0.174CC..Hα-helixtrans-60.7-46.3171.200000112.4Y66 S72 G73 L78 A80Y66-G76 WeakPolarHBondContact CD2-O 3.33Å; S72-G76 PolarHBondContact O-N 2.78Å; G73-G76 PolarHBondContact O-N 3.34Å; G76-L78 PolarHBondContact O-N 3.35Å; G76-A80 WeakPolarHBondContact O-CB 3.19Å; G76-A80 PolarHBondContact O-N 3.38Å; G76-A80 VanDerWaalsContact O-N 3.09Å
77V98.1Very high96.4Very high33 Ų3329.2 Ų29.220%0.218%0.176CC..Hα-helixtrans-62.6-41.3175.6175.50000111.8G73 R74 A81 I98 M105G73-V77 WeakPolarHBondContact O-CG2 3.28Å; G73-V77 PolarHBondContact O-N 3.14Å; R74-V77 PolarHBondContact O-N 3.05Å; V77-A81 VanDerWaalsContact O-CB 3.31Å; V77-A81 WeakPolarHBondContact O-CB 3.46Å; V77-A81 PolarHBondContact O-N 2.94Å; V77-I98 HydrophobicContact CG2-CB 4.43Å; V77-I98 HydrophobicContact CG2-CG2 4.37Å; V77-M105 HydrophobicContact CB-CE 3.85Å; V77-M105 HydrophobicContact CB-SD 3.73Å; V77-M105 HydrophobicContact CG1-CE 3.56Å; V77-M105 HydrophobicContact CG1-SD 3.74Å; V77-M105 HydrophobicContact CG2-SD 3.74Å
78L98.3Very high96Very high70 Ų7032 Ų3237%0.36619%0.191SC..Hα-helixtrans-59.3-53177.5175.663.6000111.7R74 L75 G76 A80 A81 E82R74-L78 WeakPolarHBondContact O-CB 3.28Å; R74-L78 PolarHBondContact O-N 2.97Å; L75-L78 HydrophobicContact CD2-CD2 4.33Å; L75-L78 PolarHBondContact O-N 3.3Å; G76-L78 PolarHBondContact O-N 3.35Å; L78-A80 PolarHBondContact O-N 2.88Å; L78-A81 PolarHBondContact O-N 3.39Å; L78-E82 HydrophobicContact CD1-CG 4.34Å; L78-E82 WeakPolarHBondContact O-CG 3.47Å; L78-E82 PolarHBondContact O-N 3.43Å
79D98.6Very high95.8Very high4 Ų432.2 Ų32.22%0.02119%0.192CC..Hα-helixtrans-63-41.8-178.8-176.884.1000111.7Y66 L75 A81 E82 C83 L204 N205 S208Y66-D79 HydrophobicContact CE2-CB 4.12Å; Y66-D79 VanDerWaalsContact CE2-OD2 3.22Å; Y66-D79 WeakPolarHBondContact CE2-OD2 3.27Å; Y66-D79 VanDerWaalsContact CZ-OD2 3.24Å; Y66-D79 PolarHBondContact OH-OD2 3.46Å; L75-D79 PolarHBondContact O-N 3.37Å; D79-A81 PolarHBondContact O-N 2.99Å; D79-E82 PolarHBondContact O-N 3.45Å; D79-C83 PolarHBondContact O-N 3.22Å; D79-C83 PolarHBondContact O-SG 3.37Å; D79-L204 HydrophobicContact CB-CB 4.05Å; D79-L204 HydrophobicContact CB-CD1 4.44Å; D79-N205 WeakPolarHBondContact OD1-CA 3.26Å; D79-N205 PolarHBondContact OD1-N 3.49Å; D79-N205 PolarHBondContact OD1-ND2 3.07Å; D79-S208 PolarHBondContact OD1-OG 3.32Å; D79-S208 WeakPolarHBondContact OD2-CB 3.31Å; D79-S208 PolarHBondContact OD2-OG 2.99Å
80A98.1Very high95.6Very high6 Ų635.7 Ų35.75%0.0521%0.209CC..Hα-helixtrans-59.8-46.4174.900000112.4Y66 G76 L78 E82 C83 I94Y66-A80 HydrophobicContact CD2-CB 4.18Å; Y66-A80 HydrophobicContact CE2-CB 4.32Å; G76-A80 WeakPolarHBondContact O-CB 3.19Å; G76-A80 PolarHBondContact O-N 3.38Å; G76-A80 VanDerWaalsContact O-N 3.09Å; L78-A80 PolarHBondContact O-N 2.88Å; A80-E82 VanDerWaalsContact C-N 3.31Å; A80-E82 PolarHBondContact O-N 3.42Å; A80-C83 WeakPolarHBondContact O-CB 3.08Å; A80-C83 PolarHBondContact O-N 3.18Å; A80-I94 HydrophobicContact CB-CG2 3.91Å
81A96.3Very high95.5Very high60 Ų6038 Ų3850%0.49622%0.22SC..Hα-helixtrans-64.3-34.518000000112.7V77 L78 D79 C83 P85V77-A81 VanDerWaalsContact O-CB 3.31Å; V77-A81 WeakPolarHBondContact O-CB 3.46Å; V77-A81 PolarHBondContact O-N 2.94Å; L78-A81 PolarHBondContact O-N 3.39Å; D79-A81 PolarHBondContact O-N 2.99Å; A81-C83 VanDerWaalsContact C-N 3.3Å; A81-C83 PolarHBondContact O-N 2.89Å; A81-P85 WeakPolarHBondContact O-CD 2.98Å
82E95.1Very high95.5Very high81 Ų8142.1 Ų42.138%0.37924%0.235SC..Hα-helixtrans-71.3-23.5178-73.5179.2160.300112.6L78 D79 A80 V84 P85 T86L78-E82 HydrophobicContact CD1-CG 4.34Å; L78-E82 WeakPolarHBondContact O-CG 3.47Å; L78-E82 PolarHBondContact O-N 3.43Å; D79-E82 PolarHBondContact O-N 3.45Å; A80-E82 VanDerWaalsContact C-N 3.31Å; A80-E82 PolarHBondContact O-N 3.42Å; E82-V84 PolarHBondContact O-N 3.12Å; E82-P85 VanDerWaalsContact O-CD 3.31Å; E82-P85 WeakPolarHBondContact O-CD 3.41Å; E82-P85 WeakPolarHBondContact O-CG 3.27Å; E82-T86 WeakPolarHBondContact O-CB 3.15Å; E82-T86 PolarHBondContact O-N 3.45Å; E82-T86 PolarHBondContact O-OG1 3.19Å
83C95.7Very high95.4Very high1 Ų144.4 Ų44.41%0.00724%0.244CC..Hα-helixtrans-68.8-31.4-179.3-70.20000113.6D79 A80 A81 T86 F87 T89 I94D79-C83 PolarHBondContact O-N 3.22Å; D79-C83 PolarHBondContact O-SG 3.37Å; A80-C83 WeakPolarHBondContact O-CB 3.08Å; A80-C83 PolarHBondContact O-N 3.18Å; A81-C83 VanDerWaalsContact C-N 3.3Å; A81-C83 PolarHBondContact O-N 2.89Å; C83-T86 PolarHBondContact O-N 3.38Å; C83-F87 HydrophobicContact CB-CD2 4.15Å; C83-F87 PolarHBondContact O-N 3.01Å; C83-T89 VanDerWaalsContact C-OG1 3.28Å; C83-T89 PolarHBondContact O-OG1 3.49Å; C83-I94 HydrophobicContact CB-CD1 3.57Å; C83-I94 VanDerWaalsContact SG-CD1 3.52Å
84V92.7Very high95.4Very high36 Ų3644.6 Ų44.622%0.21825%0.245CC..Hα-helixtrans-60.9-57.5178.5178.80000112E82 T86 N88 T89 P91E82-V84 PolarHBondContact O-N 3.12Å; V84-T86 VanDerWaalsContact C-N 3.31Å; V84-T86 PolarHBondContact O-N 3.47Å; V84-N88 WeakPolarHBondContact O-CA 3.31Å; V84-N88 PolarHBondContact O-N 3.32Å; V84-T89 PolarHBondContact N-OG1 3.49Å; V84-P91 HydrophobicContact CG2-CB 4.36Å; V84-P91 HydrophobicContact CG2-CG 4.12Å
85P88.7Confident95.4Very high77 Ų7742.4 Ų42.450%0.524%0.239SC..Hα-helixtrans-71.8-24177.929.6-36.5000113.6A81 E82A81-P85 WeakPolarHBondContact O-CD 2.98Å; E82-P85 VanDerWaalsContact O-CD 3.31Å; E82-P85 WeakPolarHBondContact O-CD 3.41Å; E82-P85 WeakPolarHBondContact O-CG 3.27Å
86T89.8Confident95.4Very high40 Ų4042.3 Ų42.325%0.24524%0.244CC..Hα-helixtrans-85.6-38.3-174.1-59.80000112.7E82 C83 V84 M223E82-T86 WeakPolarHBondContact O-CB 3.15Å; E82-T86 PolarHBondContact O-N 3.45Å; E82-T86 PolarHBondContact O-OG1 3.19Å; C83-T86 PolarHBondContact O-N 3.38Å; V84-T86 VanDerWaalsContact C-N 3.31Å; V84-T86 PolarHBondContact O-N 3.47Å; T86-M223 HydrophobicContact CG2-CE 3.28Å; T86-M223 VanDerWaalsContact O-CE 3.27Å; T86-M223 WeakPolarHBondContact O-CE 3.3Å; T86-M223 WeakPolarHBondContact O-CG 2.91Å
87F93Very high95.4Very high10 Ų1043.2 Ų43.24%0.04425%0.248CC..Hα-helixtrans-127.38.6-174.1-53.3-67.9000112.5C83 T89 T209 M212 K217 V218 D225C83-F87 HydrophobicContact CB-CD2 4.15Å; C83-F87 PolarHBondContact O-N 3.01Å; F87-T89 HydrophobicContact CB-CG2 4.05Å; F87-T89 PolarHBondContact O-N 2.75Å; F87-T209 HydrophobicContact CZ-CG2 4.23Å; F87-M212 HydrophobicContact CB-CB 4.34Å; F87-M212 HydrophobicContact CB-CG 4.04Å; F87-M212 HydrophobicContact CB-SD 4.01Å; F87-M212 HydrophobicContact CD1-CB 3.59Å; F87-M212 HydrophobicContact CD1-CG 4.06Å; F87-M212 HydrophobicContact CD2-CB 3.95Å; F87-M212 HydrophobicContact CD2-CG 3.5Å; F87-M212 HydrophobicContact CD2-SD 4.42Å; F87-M212 HydrophobicContact CE1-CB 3.73Å; F87-M212 HydrophobicContact CE1-CG 4.38Å; F87-M212 HydrophobicContact CE2-CB 4.07Å; F87-M212 HydrophobicContact CE2-CG 3.86Å; F87-M212 HydrophobicContact CG-CB 3.7Å; F87-M212 HydrophobicContact CG-CG 3.6Å; F87-M212 HydrophobicContact CG-SD 4.25Å; F87-M212 HydrophobicContact CZ-CB 3.97Å; F87-M212 HydrophobicContact CZ-CG 4.28Å; F87-K217 HydrophobicContact CB-CB 4.22Å; F87-K217 HydrophobicContact CB-CG 4.19Å; F87-K217 HydrophobicContact CD1-CB 4.03Å; F87-K217 VanDerWaalsContact O-CD 3.31Å; F87-K217 WeakPolarHBondContact O-CD 3.36Å; F87-K217 WeakPolarHBondContact O-CE 3.44Å; F87-K217 PolarHBondContact O-NZ 2.81Å; F87-V218 HydrophobicContact CE1-CG2 4.24Å; F87-D225 CarbonylContact C-O 3.06Å; F87-D225 WeakPolarHBondContact CA-O 3.4Å
88N91.1Very high95.4Very high59 Ų5942 Ų4232%0.31624%0.24SC..  trans50.643.3-178.4-174.441.2000110.8V84 K217 D225 K227V84-N88 WeakPolarHBondContact O-CA 3.31Å; V84-N88 PolarHBondContact O-N 3.32Å; N88-K217 PolarHBondContact O-NZ 2.7Å; N88-D225 WeakPolarHBondContact CB-O 3.4Å; N88-D225 WeakPolarHBondContact CB-OD1 3.37Å; N88-D225 PolarHBondContact N-O 3.42Å; N88-D225 PolarHBondContact ND2-OD1 3.04Å; N88-K227 HydrophobicContact CB-CB 4.31Å; N88-K227 WeakPolarHBondContact OD1-CB 3.33Å
89T93.2Very high95.3Very high6 Ų638.9 Ų38.94%0.03723%0.225CC..  trans-77.4149.8172.4570000109.4C83 V84 F87 E93 I94 M212C83-T89 VanDerWaalsContact C-OG1 3.28Å; C83-T89 PolarHBondContact O-OG1 3.49Å; V84-T89 PolarHBondContact N-OG1 3.49Å; F87-T89 HydrophobicContact CB-CG2 4.05Å; F87-T89 PolarHBondContact O-N 2.75Å; T89-E93 WeakPolarHBondContact CA-OE2 3.48Å; T89-E93 WeakPolarHBondContact CB-OE2 3.41Å; T89-I94 HydrophobicContact CG2-CD1 4.37Å; T89-M212 HydrophobicContact CG2-CE 4.1Å; T89-M212 HydrophobicContact CG2-SD 3.76Å
90D94.1Very high95.1Very high82 Ų8240 Ų4044%0.43924%0.237SC..  trans-65.3139.9163.4-175.1-81.5000109.3H92 E93D90-H92 PolarHBondContact O-N 2.63Å; D90-H92 VanDerWaalsContact OD1-CB 3.23Å; D90-H92 WeakPolarHBondContact OD1-CB 3.1Å; D90-H92 IonicContact OD1-CD2 2.75Å; D90-H92 PolarHBondContact OD1-CD2 3.12Å; D90-H92 IonicContact OD1-CG 2.63Å; D90-H92 PolarHBondContact OD1-N 2.99Å; D90-E93 HydrophobicContact CB-CG 4.06Å; D90-E93 PolarHBondContact N-OE2 2.89Å; D90-E93 WeakPolarHBondContact O-CB 3.34Å; D90-E93 PolarHBondContact O-N 2.99Å
91P94.3Very high94.9Very high78 Ų7841.2 Ų41.251%0.50625%0.251SS..THydrogen-bonded Turntrans-56.2-17.4178.3-26.135.2000114.9V84V84-P91 HydrophobicContact CG2-CB 4.36Å; V84-P91 HydrophobicContact CG2-CG 4.12Å
92H95.7Very high94.7Very high132 Ų13247 Ų4761%0.61127%0.267SS*.THydrogen-bonded Turntrans-92.6-3.2176.5-57-68.5000113.9R63 D90R63-H92 WeakPolarHBondContact CD-O 3.4Å; R63-H92 VanDerWaalsContact CG-O 3.32Å; R63-H92 WeakPolarHBondContact CG-O 3.34Å; D90-H92 PolarHBondContact O-N 2.63Å; D90-H92 VanDerWaalsContact OD1-CB 3.23Å; D90-H92 WeakPolarHBondContact OD1-CB 3.1Å; D90-H92 IonicContact OD1-CD2 2.75Å; D90-H92 PolarHBondContact OD1-CD2 3.12Å; D90-H92 IonicContact OD1-CG 2.63Å; D90-H92 PolarHBondContact OD1-N 2.99Å
93E97.2Very high94.5Very high60 Ų6048 Ų4828%0.2827%0.271SS..THydrogen-bonded Turntrans-82.3-33.6176.1-73.6179.9111.100113Y58 R63 L64 T89 D90Y58-E93 HydrophobicContact CE2-CB 4.24Å; Y58-E93 WeakPolarHBondContact OH-CB 3.26Å; Y58-E93 PolarHBondContact OH-OE1 3.44Å; Y58-E93 PolarHBondContact OH-OE2 3.5Å; R63-E93 WeakPolarHBondContact CA-O 3.26Å; R63-E93 WeakPolarHBondContact CB-O 3.46Å; L64-E93 PolarHBondContact N-O 3.36Å; T89-E93 WeakPolarHBondContact CA-OE2 3.48Å; T89-E93 WeakPolarHBondContact CB-OE2 3.41Å; D90-E93 HydrophobicContact CB-CG 4.06Å; D90-E93 PolarHBondContact N-OE2 2.89Å; D90-E93 WeakPolarHBondContact O-CB 3.34Å; D90-E93 PolarHBondContact O-N 2.99Å
94I98.2Very high94.5Very high5 Ų548 Ų483%0.02627%0.272CS..EExtended strand (participates in β ladder)trans-131.4114.6176.7-50-178000108.5Y58 L64 Y66 A80 C83 T89 M212Y58-I94 HydrophobicContact CE2-CG1 4.48Å; L64-I94 HydrophobicContact CB-CG1 4.3Å; L64-I94 HydrophobicContact CB-CG2 4.23Å; L64-I94 HydrophobicContact CD2-CG2 4.27Å; L64-I94 HydrophobicContact CG-CG2 4.33Å; L64-I94 CarbonylContact O-C 3.55Å; L64-I94 VanDerWaalsContact O-CA 3.26Å; L64-I94 WeakPolarHBondContact O-CA 3.48Å; Y66-I94 HydrophobicContact CD2-CG2 4.39Å; Y66-I94 HydrophobicContact CE2-CG2 3.74Å; A80-I94 HydrophobicContact CB-CG2 3.91Å; C83-I94 HydrophobicContact CB-CD1 3.57Å; C83-I94 VanDerWaalsContact SG-CD1 3.52Å; T89-I94 HydrophobicContact CG2-CD1 4.37Å; I94-M212 HydrophobicContact CD1-CE 3.5Å; I94-M212 HydrophobicContact CG1-CE 4.27Å
95I98.4Very high94.5Very high24 Ų2449.5 Ų49.512%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-120.8128.4-167.1-54.4175.5000109.1L64 I65 Y66 I97 I126L64-I95 PolarHBondContact O-N 3.35Å; I65-I95 CarbonylContact C-O 3.31Å; I65-I95 WeakPolarHBondContact CA-O 3.42Å; I65-I95 HydrophobicContact CG1-CB 4.43Å; Y66-I95 PolarHBondContact N-O 3.48Å; I95-I97 HydrophobicContact CG2-CD1 4.47Å; I95-I97 HydrophobicContact CG2-CG1 3.93Å; I95-I126 HydrophobicContact CD1-CD1 3.99Å
96G98.3Very high94.7Very high24 Ų2451.4 Ų51.425%0.24729%0.288CS..EExtended strand (participates in β ladder)trans-101.7123.5167.900000111.3
97I98.1Very high94.7Very high20 Ų2054.4 Ų54.410%0.10330%0.301CS..EExtended strand (participates in β ladder)trans-116.8125176.2-50.8179.7000108.9I65 Y66 I67 G68 I95 D122 L123 I126 Y145I65-I97 HydrophobicContact CG2-CD1 3.9Å; I65-I97 HydrophobicContact CG2-CG1 4.35Å; Y66-I97 PolarHBondContact O-N 3.21Å; I67-I97 WeakPolarHBondContact CA-O 3.32Å; I67-I97 HydrophobicContact CG2-CB 4.22Å; I67-I97 HydrophobicContact CG2-CD1 4.4Å; G68-I97 PolarHBondContact N-O 3.16Å; I95-I97 HydrophobicContact CG2-CD1 4.47Å; I95-I97 HydrophobicContact CG2-CG1 3.93Å; I97-D122 HydrophobicContact CD1-CB 4.42Å; I97-D122 HydrophobicContact CG2-CB 3.74Å; I97-L123 HydrophobicContact CD1-CD2 4.29Å; I97-I126 HydrophobicContact CD1-CD1 3.85Å; I97-I126 HydrophobicContact CD1-CG1 4.42Å; I97-Y145 VanDerWaalsContact CG2-OH 3.23Å; I97-Y145 WeakPolarHBondContact CG2-OH 3.32Å
98I97.7Very high94.4Very high7 Ų758 Ų584%0.03633%0.332CS..EExtended strand (participates in β ladder)trans-112.5133.5178.8-177.1169.5000110.4G68 R74 V77 G100 G101 A104 M105G68-I98 CarbonylContact O-C 3.55Å; G68-I98 WeakPolarHBondContact O-CA 3.03Å; R74-I98 HydrophobicContact CG-CD1 3.58Å; V77-I98 HydrophobicContact CG2-CB 4.43Å; V77-I98 HydrophobicContact CG2-CG2 4.37Å; I98-G100 PolarHBondContact O-N 3.03Å; I98-G101 VanDerWaalsContact CG2-O 3.3Å; I98-G101 WeakPolarHBondContact CG2-O 3.32Å; I98-G101 PolarHBondContact O-N 2.93Å; I98-A104 HydrophobicContact CD1-CB 3.74Å; I98-A104 HydrophobicContact CG1-CB 3.84Å; I98-A104 HydrophobicContact CG2-CB 4.2Å; I98-M105 HydrophobicContact CD1-SD 4.17Å; I98-M105 HydrophobicContact CG2-CG 4.38Å; I98-M105 HydrophobicContact CG2-SD 4.16Å
99A97.2Very high94.2Very high5 Ų557.9 Ų57.94%0.04133%0.333CS..THydrogen-bonded Turntrans-55.4126.2173.600000110.5G68 A69 A104 A112 Y145G68-A99 PolarHBondContact O-N 3.21Å; A69-A99 HydrophobicContact CB-CB 3.77Å; A99-A104 VanDerWaalsContact O-CB 3.23Å; A99-A104 WeakPolarHBondContact O-CB 3.38Å; A99-A112 HydrophobicContact CB-CB 4.06Å; A99-Y145 HydrophobicContact CB-CD1 3.88Å; A99-Y145 HydrophobicContact CB-CD2 3.55Å; A99-Y145 HydrophobicContact CB-CE1 4.02Å; A99-Y145 HydrophobicContact CB-CE2 3.71Å; A99-Y145 HydrophobicContact CB-CG 3.66Å
100G94.2Very high93.6Very high26 Ų2666.7 Ų66.727%0.26837%0.374SS..THydrogen-bonded Turntrans91.13.2-173.700000114.5I98I98-G100 PolarHBondContact O-N 3.03Å
101G94Very high93.2Very high33 Ų3364.8 Ų64.834%0.3437%0.374SS..  trans70.6-164172.900000114I98 H103 A104I98-G101 VanDerWaalsContact CG2-O 3.3Å; I98-G101 WeakPolarHBondContact CG2-O 3.32Å; I98-G101 PolarHBondContact O-N 2.93Å; G101-H103 PolarHBondContact O-N 2.71Å; G101-H103 VanDerWaalsContact O-N 3.08Å; G101-A104 VanDerWaalsContact O-CB 3.23Å; G101-A104 WeakPolarHBondContact O-CB 3.47Å; G101-A104 PolarHBondContact O-N 3.49Å
102Q91.8Very high93.1Very high180 Ų18061.6 Ų61.684%0.84135%0.354SS*.G310 helixtrans-57.2-31.1-172.9-169.5171.512.200113.6A104 M105Q102-A104 PolarHBondContact O-N 3.46Å; Q102-M105 VanDerWaalsContact O-CB 3.27Å; Q102-M105 WeakPolarHBondContact O-CB 3.46Å; Q102-M105 PolarHBondContact O-N 2.95Å; Q102-M105 VanDerWaalsContact O-N 3.1Å
103H92.5Very high92.9Very high102 Ų10259.8 Ų59.847%0.47235%0.346SS..G310 helixtrans-61.9-31176.4-169.962.2000112.6G101 M105 T106 M107G101-H103 PolarHBondContact O-N 2.71Å; G101-H103 VanDerWaalsContact O-N 3.08Å; H103-M105 PolarHBondContact O-N 3.18Å; H103-M105 VanDerWaalsContact O-N 3.15Å; H103-T106 PolarHBondContact O-N 3.03Å; H103-T106 PolarHBondContact O-OG1 2.93Å; H103-M107 PolarHBondContact CE1-SD 3.1Å; H103-M107 WeakPolarHBondContact NE2-CE 3.42Å; H103-M107 PolarHBondContact O-N 2.9Å; H103-M107 VanDerWaalsContact O-N 3.1Å
104A94.5Very high92.8Very high3 Ų362 Ų623%0.02536%0.36CS..G310 helixtrans-65.9-14.4177.400000113.5R74 I98 A99 G101 Q102 M107 V109R74-A104 VanDerWaalsContact CZ-O 3.31Å; R74-A104 PolarHBondContact NE-O 3.39Å; R74-A104 PolarHBondContact NH2-O 3.24Å; I98-A104 HydrophobicContact CD1-CB 3.74Å; I98-A104 HydrophobicContact CG1-CB 3.84Å; I98-A104 HydrophobicContact CG2-CB 4.2Å; A99-A104 VanDerWaalsContact O-CB 3.23Å; A99-A104 WeakPolarHBondContact O-CB 3.38Å; G101-A104 VanDerWaalsContact O-CB 3.23Å; G101-A104 WeakPolarHBondContact O-CB 3.47Å; G101-A104 PolarHBondContact O-N 3.49Å; Q102-A104 PolarHBondContact O-N 3.46Å; A104-M107 CarbonylContact C-O 3.56Å; A104-M107 VanDerWaalsContact C-O 3.31Å; A104-M107 WeakPolarHBondContact CA-O 3.32Å; A104-V109 HydrophobicContact CB-CG2 3.89Å
105M93.4Very high92.6Very high66 Ų6666.3 Ų66.333%0.32538%0.379SS..G310 helixtrans-66.8-37.2174.8-70.8-58-63.400112.4R74 V77 I98 Q102 H103R74-M105 HydrophobicContact CB-CE 4.4Å; R74-M105 HydrophobicContact CB-SD 4.45Å; R74-M105 HydrophobicContact CG-CE 4.3Å; R74-M105 HydrophobicContact CG-SD 3.99Å; R74-M105 PolarHBondContact NE-O 2.93Å; V77-M105 HydrophobicContact CB-CE 3.85Å; V77-M105 HydrophobicContact CB-SD 3.73Å; V77-M105 HydrophobicContact CG1-CE 3.56Å; V77-M105 HydrophobicContact CG1-SD 3.74Å; V77-M105 HydrophobicContact CG2-SD 3.74Å; I98-M105 HydrophobicContact CD1-SD 4.17Å; I98-M105 HydrophobicContact CG2-CG 4.38Å; I98-M105 HydrophobicContact CG2-SD 4.16Å; Q102-M105 VanDerWaalsContact O-CB 3.27Å; Q102-M105 WeakPolarHBondContact O-CB 3.46Å; Q102-M105 PolarHBondContact O-N 2.95Å; Q102-M105 VanDerWaalsContact O-N 3.1Å; H103-M105 PolarHBondContact O-N 3.18Å; H103-M105 VanDerWaalsContact O-N 3.15Å
106T92.5Very high92.3Very high118 Ų11870.4 Ų70.472%0.72440%0.396SS*.THydrogen-bonded Turntrans-106.3-24.8-175.454.20000113.2H103H103-T106 PolarHBondContact O-N 3.03Å; H103-T106 PolarHBondContact O-OG1 2.93Å
107M90.5Very high92.1Very high103 Ų10376 Ų7651%0.50741%0.414SS..SBendtrans-131155.8179.9-75.2171.541.500110.8R74 H103 A104R74-M107 PolarHBondContact NH2-O 2.96Å; H103-M107 PolarHBondContact CE1-SD 3.1Å; H103-M107 WeakPolarHBondContact NE2-CE 3.42Å; H103-M107 PolarHBondContact O-N 2.9Å; H103-M107 VanDerWaalsContact O-N 3.1Å; A104-M107 CarbonylContact C-O 3.56Å; A104-M107 VanDerWaalsContact C-O 3.31Å; A104-M107 WeakPolarHBondContact CA-O 3.32Å
108A86.4Confident92Very high84 Ų8476.9 Ų76.969%0.69442%0.418SS*.  trans-76.1136.8167.900000109.1
109V87.5Confident91.9Very high57 Ų5776.5 Ų76.535%0.34542%0.417SS..  trans-106.9105.8173.9-1770000107.3A104 G111 A112A104-V109 HydrophobicContact CB-CG2 3.89Å; V109-G111 PolarHBondContact O-N 3.2Å; V109-A112 HydrophobicContact CB-CB 4.1Å; V109-A112 HydrophobicContact CG1-CB 3.99Å; V109-A112 PolarHBondContact O-N 3.37Å
110E79.6Confident92Very high191 Ų19179.2 Ų79.289%0.89343%0.428SS*.THydrogen-bonded Turntrans-58.3135.7-178.4-68.4-175.1175.400111.2A112E110-A112 PolarHBondContact O-N 3.47Å; E110-A112 VanDerWaalsContact O-N 3.16Å
111G86.2Confident92.1Very high43 Ų4382.3 Ų82.344%0.44344%0.436SS..THydrogen-bonded Turntrans74.8-7.4177.100000116.3V109 E113 D114V109-G111 PolarHBondContact O-N 3.2Å; G111-E113 VanDerWaalsContact C-N 3.25Å; G111-E113 PolarHBondContact O-N 2.9Å; G111-D114 PolarHBondContact O-N 3.18Å; G111-D114 VanDerWaalsContact O-N 3.17Å
112A90.9Very high92.3Very high11 Ų1182.2 Ų82.29%0.09143%0.428CS..G310 helixtrans-61.9-34.8-179.500000112.5A99 V109 E110 D114 H115A99-A112 HydrophobicContact CB-CB 4.06Å; V109-A112 HydrophobicContact CB-CB 4.1Å; V109-A112 HydrophobicContact CG1-CB 3.99Å; V109-A112 PolarHBondContact O-N 3.37Å; E110-A112 PolarHBondContact O-N 3.47Å; E110-A112 VanDerWaalsContact O-N 3.16Å; A112-D114 VanDerWaalsContact C-N 3.29Å; A112-D114 PolarHBondContact O-N 2.92Å; A112-H115 PolarHBondContact O-N 3.4Å
113E93.2Very high92.6Very high94 Ų9473.7 Ų73.744%0.43939%0.388SS..G310 helixtrans-72.5-22.2-179.974.6176.6-165.900113.8A69 G111 T143 P144 Y145A69-E113 HydrophobicContact CB-CB 3.45Å; A69-E113 VanDerWaalsContact CB-CB 3.45Å; G111-E113 VanDerWaalsContact C-N 3.25Å; G111-E113 PolarHBondContact O-N 2.9Å; E113-T143 HydrophobicContact CB-CG2 3.79Å; E113-P144 WeakPolarHBondContact O-CD 3.23Å; E113-Y145 WeakPolarHBondContact O-CB 3.4Å; E113-Y145 PolarHBondContact O-N 3.28Å
114D94.5Very high92.8Very high106 Ų10673.7 Ų73.757%0.56739%0.387SS*.G310 helixtrans-85-12.1179.1-64.9-47.3000112.7G111 A112 K116 P144G111-D114 PolarHBondContact O-N 3.18Å; G111-D114 VanDerWaalsContact O-N 3.17Å; A112-D114 VanDerWaalsContact C-N 3.29Å; A112-D114 PolarHBondContact O-N 2.92Å; D114-K116 PolarHBondContact O-N 2.85Å; D114-K116 VanDerWaalsContact O-N 3.13Å; D114-P144 WeakPolarHBondContact O-CB 3.48Å
115H92.6Very high93Very high95 Ų9579.5 Ų79.544%0.4442%0.417SS..  trans-85.788-176.4-159.5-78000112.4A112 K117 L118A112-H115 PolarHBondContact O-N 3.4Å; H115-K117 VanDerWaalsContact C-N 3.26Å; H115-K117 PolarHBondContact O-N 2.88Å; H115-K117 VanDerWaalsContact O-N 3.14Å; H115-L118 HydrophobicContact CB-CB 4Å; H115-L118 WeakPolarHBondContact ND1-CB 3.35Å; H115-L118 PolarHBondContact ND1-N 3.08Å; H115-L118 VanDerWaalsContact ND1-N 3.15Å; H115-L118 WeakPolarHBondContact O-CB 3.49Å; H115-L118 PolarHBondContact O-N 2.7Å
116K92.3Very high93.2Very high111 Ų11178.1 Ų78.148%0.48341%0.411SS..THydrogen-bonded Turntrans-53.1-36.1-178.1-171.3174.4-178.6175.50114.6D114 L118 P144 G148D114-K116 PolarHBondContact O-N 2.85Å; D114-K116 VanDerWaalsContact O-N 3.13Å; K116-L118 VanDerWaalsContact C-N 3.35Å; K116-P144 HydrophobicContact CB-CB 4.41Å; K116-G148 WeakPolarHBondContact O-CA 3.32Å
117K94.6Very high93.4Very high140 Ų14078.8 Ų78.861%0.60941%0.41SS*.THydrogen-bonded Turntrans-77.5-17.2-179.1-71.6-172.2176.8-175.10114.1H115 A119 E120 E121H115-K117 VanDerWaalsContact C-N 3.26Å; H115-K117 PolarHBondContact O-N 2.88Å; H115-K117 VanDerWaalsContact O-N 3.14Å; K117-A119 PolarHBondContact O-N 2.77Å; K117-E120 WeakPolarHBondContact O-CB 3.47Å; K117-E120 PolarHBondContact O-N 3.48Å; K117-E120 VanDerWaalsContact O-N 3.17Å; K117-E121 PolarHBondContact O-N 2.99Å; K117-E121 VanDerWaalsContact O-N 3.14Å
118L95.6Very high93.8Very high39 Ų3974.8 Ų74.820%0.20439%0.39CS..Hα-helixtrans-66.1-43-171.6-177.666.3000110.9H115 K116 E120 E121 D122 Y145H115-L118 HydrophobicContact CB-CB 4Å; H115-L118 WeakPolarHBondContact ND1-CB 3.35Å; H115-L118 PolarHBondContact ND1-N 3.08Å; H115-L118 VanDerWaalsContact ND1-N 3.15Å; H115-L118 WeakPolarHBondContact O-CB 3.49Å; H115-L118 PolarHBondContact O-N 2.7Å; K116-L118 VanDerWaalsContact C-N 3.35Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 2.79Å; L118-E121 WeakPolarHBondContact O-CB 3.3Å; L118-E121 PolarHBondContact O-N 3.11Å; L118-E121 VanDerWaalsContact O-N 3.14Å; L118-D122 PolarHBondContact O-N 3.03Å; L118-Y145 HydrophobicContact CB-CD2 3.92Å; L118-Y145 HydrophobicContact CB-CE2 4.03Å; L118-Y145 HydrophobicContact CD2-CD2 4.09Å; L118-Y145 HydrophobicContact CD2-CE2 4.02Å; L118-Y145 HydrophobicContact CG-CD2 4.17Å; L118-Y145 HydrophobicContact CG-CE2 3.88Å
119A96.9Very high94.4Very high0 Ų073.5 Ų73.50%037%0.374CS..Hα-helixtrans-64.1-31.1176.700000113.1K117 L123 Y145K117-A119 PolarHBondContact O-N 2.77Å; A119-L123 VanDerWaalsContact O-CB 3.3Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 WeakPolarHBondContact O-CD1 3.36Å; A119-L123 WeakPolarHBondContact O-CG 3.47Å; A119-L123 PolarHBondContact O-N 2.95Å; A119-Y145 VanDerWaalsContact CA-CE2 3.47Å; A119-Y145 HydrophobicContact CB-CD1 4.11Å; A119-Y145 HydrophobicContact CB-CD2 3.76Å; A119-Y145 HydrophobicContact CB-CE1 3.92Å; A119-Y145 HydrophobicContact CB-CE2 3.54Å; A119-Y145 HydrophobicContact CB-CG 4.02Å; A119-Y145 WeakPolarHBondContact CB-O 3.3Å; A119-Y145 VanDerWaalsContact N-CE2 3.31Å
120E97.6Very high94.9Very high61 Ų6174.1 Ų74.129%0.28538%0.381SS..Hα-helixtrans-65.9-44.6173.6169.2178.816300110.8K117 L118 L123 K124 F152K117-E120 WeakPolarHBondContact O-CB 3.47Å; K117-E120 PolarHBondContact O-N 3.48Å; K117-E120 VanDerWaalsContact O-N 3.17Å; L118-E120 VanDerWaalsContact C-N 3.27Å; L118-E120 PolarHBondContact O-N 2.79Å; E120-L123 PolarHBondContact O-N 3.36Å; E120-K124 HydrophobicContact CG-CD 4.15Å; E120-K124 WeakPolarHBondContact O-CB 3.04Å; E120-K124 VanDerWaalsContact O-CG 3.32Å; E120-K124 WeakPolarHBondContact O-CG 3.45Å; E120-K124 PolarHBondContact O-N 2.94Å; E120-K124 WeakPolarHBondContact OE1-CE 3.44Å; E120-K124 IonicContact OE1-NZ 3.94Å; E120-K124 PolarHBondContact OE1-NZ 3.28Å; E120-F152 HydrophobicContact CB-CB 4.04Å; E120-F152 HydrophobicContact CB-CD1 4.34Å; E120-F152 HydrophobicContact CB-CD2 4.45Å; E120-F152 HydrophobicContact CB-CG 4.02Å; E120-F152 HydrophobicContact CG-CB 4.12Å; E120-F152 HydrophobicContact CG-CD1 4.07Å; E120-F152 HydrophobicContact CG-CD2 3.61Å; E120-F152 HydrophobicContact CG-CE1 4.42Å; E120-F152 HydrophobicContact CG-CE2 4.01Å; E120-F152 HydrophobicContact CG-CG 3.65Å; E120-F152 HydrophobicContact CG-CZ 4.4Å
121E97.2Very high95.8Very high91 Ų9170 Ų7043%0.42536%0.36SS..Hα-helixtrans-62.7-45.8176.3-68.3168.2-17500111K117 L118 L123 K124 N125K117-E121 PolarHBondContact O-N 2.99Å; K117-E121 VanDerWaalsContact O-N 3.14Å; L118-E121 WeakPolarHBondContact O-CB 3.3Å; L118-E121 PolarHBondContact O-N 3.11Å; L118-E121 VanDerWaalsContact O-N 3.14Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.19Å; E121-K124 WeakPolarHBondContact O-CB 3.43Å; E121-K124 PolarHBondContact O-N 3.14Å; E121-N125 PolarHBondContact O-N 3.1Å; E121-N125 PolarHBondContact O-ND2 3.38Å
122D97.5Very high96.4Very high32 Ų3268 Ų6817%0.17134%0.339CS..Hα-helixtrans-61-41.2177.5-67.8-33.2000112.3I97 L118 N125 I126 Y145I97-D122 HydrophobicContact CD1-CB 4.42Å; I97-D122 HydrophobicContact CG2-CB 3.74Å; L118-D122 PolarHBondContact O-N 3.03Å; D122-N125 PolarHBondContact O-N 3.16Å; D122-I126 PolarHBondContact O-N 2.64Å; D122-Y145 PolarHBondContact OD2-OH 3.29Å; D122-Y145 VanDerWaalsContact OD2-OH 3.06Å
123L98.4Very high96.8Very high0 Ų067.5 Ų67.50%034%0.335CS..Hα-helixtrans-70-33.1176.7-72.1170.4000112.6I65 I67 I97 A119 E120 E121 I126 L128 V134 G149 F152I65-L123 HydrophobicContact CG2-CD2 3.9Å; I67-L123 HydrophobicContact CG2-CD2 4.16Å; I97-L123 HydrophobicContact CD1-CD2 4.29Å; A119-L123 VanDerWaalsContact O-CB 3.3Å; A119-L123 WeakPolarHBondContact O-CB 3.41Å; A119-L123 WeakPolarHBondContact O-CD1 3.36Å; A119-L123 WeakPolarHBondContact O-CG 3.47Å; A119-L123 PolarHBondContact O-N 2.95Å; E120-L123 PolarHBondContact O-N 3.36Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 3.19Å; L123-I126 HydrophobicContact CD2-CD1 4.43Å; L123-I126 WeakPolarHBondContact O-CG1 3.19Å; L123-L128 HydrophobicContact CB-CB 4.31Å; L123-L128 HydrophobicContact CB-CD2 4.18Å; L123-L128 HydrophobicContact CD1-CD2 4.22Å; L123-L128 HydrophobicContact CD2-CD1 4.37Å; L123-L128 HydrophobicContact CD2-CD2 4.29Å; L123-L128 HydrophobicContact CG-CD2 4.47Å; L123-L128 WeakPolarHBondContact O-CB 3.27Å; L123-L128 PolarHBondContact O-N 3.38Å; L123-L128 VanDerWaalsContact O-N 3.14Å; L123-V134 HydrophobicContact CD1-CG1 4.43Å; L123-V134 HydrophobicContact CD2-CG1 4.38Å; L123-V134 HydrophobicContact CD2-CG2 4.21Å; L123-G149 WeakPolarHBondContact CD1-O 3.42Å; L123-F152 HydrophobicContact CB-CD1 3.87Å; L123-F152 HydrophobicContact CB-CE1 3.9Å; L123-F152 HydrophobicContact CD1-CD1 4.03Å
124K98Very high97.1Very high103 Ų10363 Ų6345%0.44831%0.314SS..Hα-helixtrans-66.5-40.5171.7-77.6169.9171.9171.80111.7E120 E121 I126 D127 F152E120-K124 HydrophobicContact CG-CD 4.15Å; E120-K124 WeakPolarHBondContact O-CB 3.04Å; E120-K124 VanDerWaalsContact O-CG 3.32Å; E120-K124 WeakPolarHBondContact O-CG 3.45Å; E120-K124 PolarHBondContact O-N 2.94Å; E120-K124 WeakPolarHBondContact OE1-CE 3.44Å; E120-K124 IonicContact OE1-NZ 3.94Å; E120-K124 PolarHBondContact OE1-NZ 3.28Å; E121-K124 WeakPolarHBondContact O-CB 3.43Å; E121-K124 PolarHBondContact O-N 3.14Å; K124-I126 PolarHBondContact O-N 2.63Å; K124-D127 PolarHBondContact O-N 3.46Å; K124-F152 HydrophobicContact CD-CZ 4.23Å; K124-F152 HydrophobicContact CG-CE1 3.93Å; K124-F152 HydrophobicContact CG-CE2 4.39Å; K124-F152 HydrophobicContact CG-CZ 3.57Å
125N97.5Very high97.3Very high124 Ų12458 Ų5866%0.66329%0.287SS*.Hα-helixtrans-65-18.8-178.6-69.6-24.6000113.7E121 D122E121-N125 PolarHBondContact O-N 3.1Å; E121-N125 PolarHBondContact O-ND2 3.38Å; D122-N125 PolarHBondContact O-N 3.16Å
126I97.6Very high97.6Very high38 Ų3853.5 Ų53.520%0.19527%0.266CS..THydrogen-bonded Turntrans-105.316.2173.465.4158.1000112.6R63 I65 I95 I97 D122 L123 K124 L128R63-I126 PolarHBondContact NH1-O 3Å; R63-I126 PolarHBondContact NH2-O 2.78Å; I65-I126 HydrophobicContact CD1-CD1 3.59Å; I65-I126 HydrophobicContact CG1-CD1 3.99Å; I65-I126 HydrophobicContact CG2-CD1 3.99Å; I95-I126 HydrophobicContact CD1-CD1 3.99Å; I97-I126 HydrophobicContact CD1-CD1 3.85Å; I97-I126 HydrophobicContact CD1-CG1 4.42Å; D122-I126 PolarHBondContact O-N 2.64Å; L123-I126 HydrophobicContact CD2-CD1 4.43Å; L123-I126 WeakPolarHBondContact O-CG1 3.19Å; K124-I126 PolarHBondContact O-N 2.63Å; I126-L128 PolarHBondContact O-N 3Å
127D97.9Very high97.9Very high131 Ų13148.2 Ų48.270%0.70124%0.243SC*.THydrogen-bonded Turntrans52.253.8178.7-58.9-52.9000112.8R63 K124 T129R63-D127 PolarHBondContact NH2-O 2.81Å; K124-D127 PolarHBondContact O-N 3.46Å; D127-T129 VanDerWaalsContact O-CG2 3.3Å; D127-T129 WeakPolarHBondContact O-CG2 3.31Å; D127-T129 PolarHBondContact O-N 3.1Å
128L98.6Very high98.1Very high19 Ų1941.6 Ų41.610%0.09922%0.215CC..  trans-52.4134.1178.3-17870.7000111.8I65 L123 I126 D132 V134 F152 A153 I156 A158I65-L128 HydrophobicContact CD1-CD1 3.48Å; I65-L128 VanDerWaalsContact CD1-CD1 3.48Å; L123-L128 HydrophobicContact CB-CB 4.31Å; L123-L128 HydrophobicContact CB-CD2 4.18Å; L123-L128 HydrophobicContact CD1-CD2 4.22Å; L123-L128 HydrophobicContact CD2-CD1 4.37Å; L123-L128 HydrophobicContact CD2-CD2 4.29Å; L123-L128 HydrophobicContact CG-CD2 4.47Å; L123-L128 WeakPolarHBondContact O-CB 3.27Å; L123-L128 PolarHBondContact O-N 3.38Å; L123-L128 VanDerWaalsContact O-N 3.14Å; I126-L128 PolarHBondContact O-N 3Å; L128-D132 HydrophobicContact CD1-CB 3.62Å; L128-V134 HydrophobicContact CD1-CG2 3.55Å; L128-V134 HydrophobicContact CD2-CG2 4.08Å; L128-V134 HydrophobicContact CG-CG2 4.5Å; L128-F152 HydrophobicContact CD2-CD1 4.27Å; L128-F152 HydrophobicContact CD2-CE1 4.17Å; L128-A153 HydrophobicContact CD2-CB 3.89Å; L128-I156 HydrophobicContact CD2-CB 4.36Å; L128-I156 HydrophobicContact CD2-CG1 4.28Å; L128-I156 HydrophobicContact CD2-CG2 4.48Å; L128-I156 HydrophobicContact CG-CG2 4.3Å; L128-A158 HydrophobicContact CD1-CB 4.37Å; L128-A158 HydrophobicContact CD2-CB 4.39Å; L128-A158 HydrophobicContact CG-CB 4.49Å
129T98.5Very high98.2Very high57 Ų5740 Ų4035%0.3521%0.207SC..  trans-123.4165.8179.676.10000112.4D127 K131 D132D127-T129 VanDerWaalsContact O-CG2 3.3Å; D127-T129 WeakPolarHBondContact O-CG2 3.31Å; D127-T129 PolarHBondContact O-N 3.1Å; T129-K131 PolarHBondContact O-N 3.22Å; T129-K131 VanDerWaalsContact O-N 3.16Å; T129-K131 PolarHBondContact OG1-N 3.1Å; T129-D132 PolarHBondContact N-OD2 2.87Å; T129-D132 WeakPolarHBondContact O-CB 3.17Å; T129-D132 PolarHBondContact O-N 3.15Å; T129-D132 VanDerWaalsContact O-N 3.1Å; T129-D132 PolarHBondContact OG1-OD2 3.21Å; T129-D132 VanDerWaalsContact OG1-OD2 3.08Å
130S98.4Very high98.2Very high70 Ų7041.2 Ų41.249%0.4922%0.216SC..THydrogen-bonded Turntrans-66.4-11.1174.260.40000114.5Q57 I156Q57-S130 PolarHBondContact NE2-O 3.28Å; Q57-S130 VanDerWaalsContact NE2-O 3.09Å; S130-I156 WeakPolarHBondContact CB-O 3.49Å
131K98.3Very high98.2Very high105 Ų10538.4 Ų38.446%0.45720%0.203SC..THydrogen-bonded Turntrans-80.1-23.2173.7-62.2178175.5-172.10112.1Q57 K60 G62 T129Q57-K131 VanDerWaalsContact CB-O 3.3Å; Q57-K131 WeakPolarHBondContact CB-O 3.23Å; Q57-K131 VanDerWaalsContact CD-O 3.28Å; Q57-K131 PolarHBondContact NE2-O 2.95Å; Q57-K131 VanDerWaalsContact NE2-O 3.1Å; K60-K131 WeakPolarHBondContact O-CD 3.45Å; K60-K131 PolarHBondContact O-NZ 3.4Å; G62-K131 WeakPolarHBondContact CA-O 3.23Å; T129-K131 PolarHBondContact O-N 3.22Å; T129-K131 VanDerWaalsContact O-N 3.16Å; T129-K131 PolarHBondContact OG1-N 3.1Å
132D98.8Very high98.1Very high1 Ų138.9 Ų38.91%0.00520%0.204CC..  trans-75.7161-172.7-61.3-42.6000112.4R63 I65 L128 T129 T159R63-D132 WeakPolarHBondContact CB-OD1 3.35Å; R63-D132 IonicContact CZ-OD1 2.64Å; R63-D132 IonicContact CZ-OD2 3.97Å; R63-D132 PolarHBondContact N-OD1 3.45Å; R63-D132 IonicContact NE-OD1 2.58Å; R63-D132 PolarHBondContact NE-OD1 3.06Å; R63-D132 VanDerWaalsContact NE-OD1 3.11Å; R63-D132 IonicContact NE-OD2 3.11Å; R63-D132 PolarHBondContact NE-OD2 3.38Å; R63-D132 IonicContact NH2-OD1 3.89Å; R63-D132 IonicContact NH2-OD2 3.93Å; R63-D132 PolarHBondContact NH2-OD2 3.49Å; R63-D132 WeakPolarHBondContact O-CA 3.23Å; I65-D132 HydrophobicContact CD1-CB 3.87Å; L128-D132 HydrophobicContact CD1-CB 3.62Å; T129-D132 PolarHBondContact N-OD2 2.87Å; T129-D132 WeakPolarHBondContact O-CB 3.17Å; T129-D132 PolarHBondContact O-N 3.15Å; T129-D132 VanDerWaalsContact O-N 3.1Å; T129-D132 PolarHBondContact OG1-OD2 3.21Å; T129-D132 VanDerWaalsContact OG1-OD2 3.08Å; D132-T159 PolarHBondContact O-N 3.5Å
133V98.9Very high98.1Very high1 Ų138.1 Ų38.11%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-115.8118.8169.5-174.70000108.6T54 Q57 R63 L64 I65 I135 T159 V161T54-V133 HydrophobicContact CG2-CG2 4.3Å; Q57-V133 HydrophobicContact CB-CG2 3.69Å; Q57-V133 HydrophobicContact CG-CG2 3.84Å; R63-V133 PolarHBondContact O-N 3.3Å; L64-V133 HydrophobicContact CD1-CB 4.07Å; L64-V133 HydrophobicContact CD1-CG1 4.1Å; I65-V133 PolarHBondContact N-O 2.99Å; V133-I135 HydrophobicContact CG1-CG1 4.15Å; V133-T159 CarbonylContact C-O 3.57Å; V133-T159 WeakPolarHBondContact CA-O 3.3Å; V133-T159 HydrophobicContact CG1-CG2 4.15Å; V133-T159 HydrophobicContact CG2-CG2 4.43Å; V133-V161 HydrophobicContact CG1-CG2 3.91Å
134V98.9Very high98.1Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-103.4121176.2-177.40000109.1I65 I67 L123 L128 L150 A153 A158 T159 T160 V161I65-V134 HydrophobicContact CB-CG2 4.44Å; I65-V134 HydrophobicContact CD1-CG2 4.42Å; I65-V134 CarbonylContact O-C 3.57Å; I65-V134 WeakPolarHBondContact O-CA 3.21Å; I67-V134 HydrophobicContact CD1-CG1 3.93Å; I67-V134 HydrophobicContact CG1-CG1 4.2Å; I67-V134 HydrophobicContact CG2-CG1 4.23Å; L123-V134 HydrophobicContact CD1-CG1 4.43Å; L123-V134 HydrophobicContact CD2-CG1 4.38Å; L123-V134 HydrophobicContact CD2-CG2 4.21Å; L128-V134 HydrophobicContact CD1-CG2 3.55Å; L128-V134 HydrophobicContact CD2-CG2 4.08Å; L128-V134 HydrophobicContact CG-CG2 4.5Å; V134-L150 HydrophobicContact CG1-CD2 4.28Å; V134-A153 HydrophobicContact CB-CB 3.96Å; V134-A153 HydrophobicContact CG1-CB 4.29Å; V134-A153 HydrophobicContact CG2-CB 3.77Å; V134-A158 HydrophobicContact CG2-CB 4.45Å; V134-T159 PolarHBondContact N-O 3.4Å; V134-T160 WeakPolarHBondContact O-CA 3.47Å; V134-V161 PolarHBondContact O-N 3.35Å
135I98.9Very high98.1Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-109.8110.1178-51.3-155.1000109.2L64 I65 Y66 I67 V133 I137 V161 I163 I207L64-I135 HydrophobicContact CD1-CD1 3.67Å; L64-I135 HydrophobicContact CD1-CG1 3.82Å; I65-I135 PolarHBondContact O-N 3.17Å; Y66-I135 HydrophobicContact CD1-CB 3.9Å; Y66-I135 HydrophobicContact CD1-CD1 4.47Å; Y66-I135 HydrophobicContact CD1-CG1 4.34Å; Y66-I135 HydrophobicContact CD1-CG2 4.34Å; Y66-I135 HydrophobicContact CE1-CB 4.36Å; Y66-I135 HydrophobicContact CE1-CD1 4.06Å; Y66-I135 HydrophobicContact CE1-CG1 4.38Å; I67-I135 PolarHBondContact N-O 3.2Å; V133-I135 HydrophobicContact CG1-CG1 4.15Å; I135-I137 HydrophobicContact CG2-CG1 4.27Å; I135-V161 CarbonylContact C-O 3.59Å; I135-V161 WeakPolarHBondContact CA-O 3.39Å; I135-V161 HydrophobicContact CB-CB 4.27Å; I135-V161 HydrophobicContact CD1-CB 4.18Å; I135-V161 HydrophobicContact CD1-CG1 4.28Å; I135-V161 HydrophobicContact CD1-CG2 4.24Å; I135-V161 HydrophobicContact CG1-CB 3.88Å; I135-V161 HydrophobicContact CG1-CG1 4.45Å; I135-V161 HydrophobicContact CG1-CG2 4.1Å; I135-V161 HydrophobicContact CG2-CB 4.22Å; I135-V161 HydrophobicContact CG2-CG1 4.2Å; I135-I163 HydrophobicContact CG2-CD1 3.58Å; I135-I163 HydrophobicContact CG2-CG1 4Å; I135-I207 HydrophobicContact CD1-CD1 3.84Å; I135-I207 HydrophobicContact CD1-CG2 4.06Å
136G98.9Very high98.2Very high0 Ų029.2 Ų29.20%016%0.16CC..EExtended strand (participates in β ladder)trans-89.4122177.200000112.1V146 V161 S162 I163G136-V146 VanDerWaalsContact CA-CG1 3.45Å; G136-V161 PolarHBondContact N-O 3.3Å; G136-S162 CarbonylContact O-C 3.58Å; G136-S162 WeakPolarHBondContact O-CA 3.2Å; G136-I163 PolarHBondContact O-N 2.92Å
137I98.8Very high98.2Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-115114.5-172.3-43.4168.2000109.3Y66 I67 S72 I135 I163 Q200 L204Y66-I137 HydrophobicContact CD1-CD1 4.44Å; I67-I137 PolarHBondContact O-N 2.77Å; S72-I137 VanDerWaalsContact CB-O 3.23Å; S72-I137 WeakPolarHBondContact CB-O 3.43Å; I135-I137 HydrophobicContact CG2-CG1 4.27Å; I137-I163 HydrophobicContact CG1-CD1 4.44Å; I137-I163 HydrophobicContact CG2-CB 4.38Å; I137-Q200 HydrophobicContact CG2-CB 4.35Å; I137-Q200 HydrophobicContact CG2-CG 3.8Å; I137-L204 HydrophobicContact CD1-CD1 3.97Å; I137-L204 HydrophobicContact CD1-CD2 3.78Å; I137-L204 HydrophobicContact CD1-CG 4.41Å
138A98.4Very high98.2Very high2 Ų222.6 Ų22.62%0.01713%0.126CC..  trans-151.5117.5171.200000110.6S140 G141 T143 V146 I163 S164 I171A138-S140 VanDerWaalsContact C-N 3.25Å; A138-S140 PolarHBondContact O-N 3.28Å; A138-G141 PolarHBondContact O-N 3.08Å; A138-T143 WeakPolarHBondContact CB-OG1 3.4Å; A138-V146 HydrophobicContact CB-CG2 4.2Å; A138-I163 PolarHBondContact N-O 2.9Å; A138-S164 WeakPolarHBondContact O-CA 3.49Å; A138-I171 HydrophobicContact CB-CD1 4.11Å
139A97.8Very high98.2Very high5 Ų521.7 Ų21.74%0.04112%0.121CC..THydrogen-bonded Turntrans-54.9-43.417900000112G141 C165 T192A139-G141 PolarHBondContact O-N 3.09Å; A139-C165 HydrophobicContact CB-CB 4.43Å; A139-C165 PolarHBondContact O-N 3.45Å; A139-T192 HydrophobicContact CB-CG2 3.93Å
140S96.8Very high98.2Very high26 Ų2619 Ų1918%0.18210%0.104CC..THydrogen-bonded Turntrans-66.9-22.1178.9700000113.7A138 K142 T143 N166A138-S140 VanDerWaalsContact C-N 3.25Å; A138-S140 PolarHBondContact O-N 3.28Å; S140-K142 PolarHBondContact O-N 3Å; S140-K142 PolarHBondContact OG-N 3.39Å; S140-T143 PolarHBondContact OG-OG1 3.27Å; S140-N166 PolarHBondContact O-ND2 3.32Å
141G97.3Very high98.3Very high1 Ų118.3 Ų18.31%0.0110%0.097CC..SBendtrans74.14.6-176.100000115.5A138 A139 V170 I171A138-G141 PolarHBondContact O-N 3.08Å; A139-G141 PolarHBondContact O-N 3.09Å; G141-V170 PolarHBondContact O-N 2.93Å; G141-I171 PolarHBondContact O-N 3.04Å
142K96.6Very high98.3Very high102 Ų10214.3 Ų14.344%0.4438%0.08SC..  trans-135.610.9-170.864.2-179.2177.8-1770115.3S140 P144 I147 V170S140-K142 PolarHBondContact O-N 3Å; S140-K142 PolarHBondContact OG-N 3.39Å; K142-P144 WeakPolarHBondContact O-CD 3.39Å; K142-I147 WeakPolarHBondContact O-CD1 3.2Å; K142-V170 HydrophobicContact CB-CG2 4.21Å
143T97.2Very high98.3Very high16 Ų1614.3 Ų14.310%0.0988%0.08CC..  trans-63.6119.4-177.5-58.80000111.7A69 E113 A138 S140 Y145 V146 I147A69-T143 HydrophobicContact CB-CG2 4.29Å; E113-T143 HydrophobicContact CB-CG2 3.79Å; A138-T143 WeakPolarHBondContact CB-OG1 3.4Å; S140-T143 PolarHBondContact OG-OG1 3.27Å; T143-Y145 PolarHBondContact O-N 3.17Å; T143-V146 HydrophobicContact CG2-CG2 4.25Å; T143-V146 PolarHBondContact O-N 2.86Å; T143-I147 WeakPolarHBondContact O-CG1 3.47Å; T143-I147 PolarHBondContact O-N 3.2Å
144P97.7Very high98.3Very high40 Ų4016.7 Ų16.726%0.269%0.093SC..Hα-helixtrans-55.5-40.8-174.6-30.537.3000115.5E113 D114 K116 K142 V146 I147 G148E113-P144 WeakPolarHBondContact O-CD 3.23Å; D114-P144 WeakPolarHBondContact O-CB 3.48Å; K116-P144 HydrophobicContact CB-CB 4.41Å; K142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-V146 VanDerWaalsContact C-N 3.33Å; P144-V146 PolarHBondContact O-N 2.81Å; P144-I147 WeakPolarHBondContact O-CB 3.33Å; P144-I147 PolarHBondContact O-N 2.95Å; P144-G148 PolarHBondContact O-N 2.92Å
145Y98.5Very high98.2Very high0 Ų021.7 Ų21.70%012%0.123CC..Hα-helixtrans-53.4-49.4173.9174.2-91.1000111.6I67 I97 A99 E113 L118 A119 D122 T143 G148 G149I67-Y145 HydrophobicContact CB-CE1 4.11Å; I97-Y145 VanDerWaalsContact CG2-OH 3.23Å; I97-Y145 WeakPolarHBondContact CG2-OH 3.32Å; A99-Y145 HydrophobicContact CB-CD1 3.88Å; A99-Y145 HydrophobicContact CB-CD2 3.55Å; A99-Y145 HydrophobicContact CB-CE1 4.02Å; A99-Y145 HydrophobicContact CB-CE2 3.71Å; A99-Y145 HydrophobicContact CB-CG 3.66Å; E113-Y145 WeakPolarHBondContact O-CB 3.4Å; E113-Y145 PolarHBondContact O-N 3.28Å; L118-Y145 HydrophobicContact CB-CD2 3.92Å; L118-Y145 HydrophobicContact CB-CE2 4.03Å; L118-Y145 HydrophobicContact CD2-CD2 4.09Å; L118-Y145 HydrophobicContact CD2-CE2 4.02Å; L118-Y145 HydrophobicContact CG-CD2 4.17Å; L118-Y145 HydrophobicContact CG-CE2 3.88Å; A119-Y145 VanDerWaalsContact CA-CE2 3.47Å; A119-Y145 HydrophobicContact CB-CD1 4.11Å; A119-Y145 HydrophobicContact CB-CD2 3.76Å; A119-Y145 HydrophobicContact CB-CE1 3.92Å; A119-Y145 HydrophobicContact CB-CE2 3.54Å; A119-Y145 HydrophobicContact CB-CG 4.02Å; A119-Y145 WeakPolarHBondContact CB-O 3.3Å; A119-Y145 VanDerWaalsContact N-CE2 3.31Å; D122-Y145 PolarHBondContact OD2-OH 3.29Å; D122-Y145 VanDerWaalsContact OD2-OH 3.06Å; T143-Y145 PolarHBondContact O-N 3.17Å; Y145-G148 PolarHBondContact O-N 2.81Å; Y145-G149 PolarHBondContact O-N 2.78Å
146V98.6Very high98.2Very high0 Ų024.6 Ų24.60%014%0.138CC..Hα-helixtrans-69.1-40.8-178.6-177.50000111.3G136 A138 T143 P144 G148 G149 L150 I171G136-V146 VanDerWaalsContact CA-CG1 3.45Å; A138-V146 HydrophobicContact CB-CG2 4.2Å; T143-V146 HydrophobicContact CG2-CG2 4.25Å; T143-V146 PolarHBondContact O-N 2.86Å; P144-V146 VanDerWaalsContact C-N 3.33Å; P144-V146 PolarHBondContact O-N 2.81Å; V146-G148 VanDerWaalsContact C-N 3.3Å; V146-G148 PolarHBondContact O-N 3.08Å; V146-G149 PolarHBondContact O-N 2.83Å; V146-L150 HydrophobicContact CG1-CD1 4.02Å; V146-L150 HydrophobicContact CG1-CG 4.33Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.21Å; V146-I171 HydrophobicContact CB-CG2 4.32Å; V146-I171 HydrophobicContact CG1-CD1 4.39Å; V146-I171 HydrophobicContact CG1-CG2 3.93Å
147I98.6Very high98.2Very high23 Ų2326.6 Ų26.612%0.11816%0.159CC..Hα-helixtrans-55.5-47.9173.7-69.4171.4000110.2K142 T143 P144 T151 V170 I171 I174K142-I147 WeakPolarHBondContact O-CD1 3.2Å; T143-I147 WeakPolarHBondContact O-CG1 3.47Å; T143-I147 PolarHBondContact O-N 3.2Å; P144-I147 WeakPolarHBondContact O-CB 3.33Å; P144-I147 PolarHBondContact O-N 2.95Å; I147-T151 VanDerWaalsContact O-CB 3.31Å; I147-T151 WeakPolarHBondContact O-CB 3.49Å; I147-T151 PolarHBondContact O-N 3Å; I147-T151 PolarHBondContact O-OG1 3.35Å; I147-V170 HydrophobicContact CD1-CB 4.26Å; I147-V170 HydrophobicContact CD1-CG1 3.69Å; I147-V170 HydrophobicContact CG1-CG1 4.15Å; I147-I171 HydrophobicContact CG1-CG2 3.67Å; I147-I174 HydrophobicContact CB-CD1 4.24Å; I147-I174 HydrophobicContact CG1-CD1 4.26Å; I147-I174 HydrophobicContact CG2-CD1 3.64Å
148G98.4Very high98.2Very high6 Ų626.7 Ų26.76%0.06216%0.159CC..Hα-helixtrans-61.8-48.6179.500000112.9K116 P144 Y145 V146 T151 F152K116-G148 WeakPolarHBondContact O-CA 3.32Å; P144-G148 PolarHBondContact O-N 2.92Å; Y145-G148 PolarHBondContact O-N 2.81Å; V146-G148 VanDerWaalsContact C-N 3.3Å; V146-G148 PolarHBondContact O-N 3.08Å; G148-T151 PolarHBondContact O-N 2.86Å; G148-F152 PolarHBondContact O-N 3.06Å
149G98.6Very high98.2Very high0 Ų026.7 Ų26.70%016%0.159CC..Hα-helixtrans-63.1-43.9-179.800000113.3L123 Y145 V146 F152 A153L123-G149 WeakPolarHBondContact CD1-O 3.42Å; Y145-G149 PolarHBondContact O-N 2.78Å; V146-G149 PolarHBondContact O-N 2.83Å; G149-F152 PolarHBondContact O-N 3.45Å; G149-A153 VanDerWaalsContact O-CB 3.3Å; G149-A153 WeakPolarHBondContact O-CB 3.39Å; G149-A153 PolarHBondContact O-N 2.87Å
150L98.8Very high98.3Very high0 Ų026.5 Ų26.50%016%0.158CC..Hα-helixtrans-66.2-38.9175.7-68.2176.9000112.1V134 V146 A153 N154 T160 V161 I171 I174 A175V134-L150 HydrophobicContact CG1-CD2 4.28Å; V146-L150 HydrophobicContact CG1-CD1 4.02Å; V146-L150 HydrophobicContact CG1-CG 4.33Å; V146-L150 WeakPolarHBondContact O-CG 3.48Å; V146-L150 PolarHBondContact O-N 3.21Å; L150-A153 PolarHBondContact O-N 3.1Å; L150-N154 PolarHBondContact O-N 3.14Å; L150-N154 PolarHBondContact O-ND2 3.31Å; L150-T160 HydrophobicContact CD2-CG2 4.23Å; L150-V161 WeakPolarHBondContact CD2-O 3.2Å; L150-I171 HydrophobicContact CD1-CB 3.86Å; L150-I171 HydrophobicContact CD1-CG2 4.25Å; L150-I174 HydrophobicContact CB-CG2 3.81Å; L150-A175 HydrophobicContact CD1-CB 4.47Å
151T98.7Very high98.4Very high56 Ų5625.3 Ų25.334%0.34415%0.149SC..Hα-helixtrans-60.9-49.6175.6-58.40000110.4I147 G148 N154 T155I147-T151 VanDerWaalsContact O-CB 3.31Å; I147-T151 WeakPolarHBondContact O-CB 3.49Å; I147-T151 PolarHBondContact O-N 3Å; I147-T151 PolarHBondContact O-OG1 3.35Å; G148-T151 PolarHBondContact O-N 2.86Å; T151-N154 WeakPolarHBondContact O-CB 3.49Å; T151-N154 PolarHBondContact O-N 3.18Å; T151-T155 WeakPolarHBondContact O-CG2 3.3Å; T151-T155 PolarHBondContact O-N 3.12Å
152F98.7Very high98.5Very high22 Ų2225.2 Ų25.210%0.09615%0.149CC..Hα-helixtrans-61.8-45.8177.8175.5-111.9000112.2E120 L123 K124 L128 G148 G149 N154 T155 I156E120-F152 HydrophobicContact CB-CB 4.04Å; E120-F152 HydrophobicContact CB-CD1 4.34Å; E120-F152 HydrophobicContact CB-CD2 4.45Å; E120-F152 HydrophobicContact CB-CG 4.02Å; E120-F152 HydrophobicContact CG-CB 4.12Å; E120-F152 HydrophobicContact CG-CD1 4.07Å; E120-F152 HydrophobicContact CG-CD2 3.61Å; E120-F152 HydrophobicContact CG-CE1 4.42Å; E120-F152 HydrophobicContact CG-CE2 4.01Å; E120-F152 HydrophobicContact CG-CG 3.65Å; E120-F152 HydrophobicContact CG-CZ 4.4Å; L123-F152 HydrophobicContact CB-CD1 3.87Å; L123-F152 HydrophobicContact CB-CE1 3.9Å; L123-F152 HydrophobicContact CD1-CD1 4.03Å; K124-F152 HydrophobicContact CD-CZ 4.23Å; K124-F152 HydrophobicContact CG-CE1 3.93Å; K124-F152 HydrophobicContact CG-CE2 4.39Å; K124-F152 HydrophobicContact CG-CZ 3.57Å; L128-F152 HydrophobicContact CD2-CD1 4.27Å; L128-F152 HydrophobicContact CD2-CE1 4.17Å; G148-F152 PolarHBondContact O-N 3.06Å; G149-F152 PolarHBondContact O-N 3.45Å; F152-N154 VanDerWaalsContact C-N 3.25Å; F152-N154 PolarHBondContact O-N 3.42Å; F152-T155 WeakPolarHBondContact O-CA 3.49Å; F152-T155 WeakPolarHBondContact O-CB 3.42Å; F152-T155 PolarHBondContact O-N 3.4Å; F152-T155 PolarHBondContact O-OG1 3.14Å; F152-I156 HydrophobicContact CD1-CG1 4.45Å; F152-I156 HydrophobicContact CD2-CG1 4.49Å; F152-I156 HydrophobicContact CE1-CD1 4.47Å; F152-I156 HydrophobicContact CE1-CG1 3.94Å; F152-I156 HydrophobicContact CE2-CD1 3.89Å; F152-I156 HydrophobicContact CE2-CG1 3.98Å; F152-I156 HydrophobicContact CZ-CD1 3.72Å; F152-I156 HydrophobicContact CZ-CG1 3.67Å; F152-I156 PolarHBondContact O-N 3.15Å
153A98.8Very high98.6Very high0 Ų020.4 Ų20.40%013%0.128CC..Hα-helixtrans-57.8-37.5178.400000112.7L128 V134 G149 L150 T155 I156 G157 A158 T160L128-A153 HydrophobicContact CD2-CB 3.89Å; V134-A153 HydrophobicContact CB-CB 3.96Å; V134-A153 HydrophobicContact CG1-CB 4.29Å; V134-A153 HydrophobicContact CG2-CB 3.77Å; G149-A153 VanDerWaalsContact O-CB 3.3Å; G149-A153 WeakPolarHBondContact O-CB 3.39Å; G149-A153 PolarHBondContact O-N 2.87Å; L150-A153 PolarHBondContact O-N 3.1Å; A153-T155 VanDerWaalsContact C-N 3.35Å; A153-T155 PolarHBondContact O-N 2.96Å; A153-I156 PolarHBondContact O-N 3.17Å; A153-G157 PolarHBondContact O-N 3Å; A153-A158 HydrophobicContact CB-CB 4.28Å; A153-A158 PolarHBondContact O-N 3.32Å; A153-T160 HydrophobicContact CB-CG2 3.62Å
154N98.7Very high98.6Very high51 Ų5119.6 Ų19.627%0.27312%0.123SC..Hα-helixtrans-62.2-39.1172.4-77.9-34.4000112.5L150 T151 F152 I156 G157 T160 I174 Q176L150-N154 PolarHBondContact O-N 3.14Å; L150-N154 PolarHBondContact O-ND2 3.31Å; T151-N154 WeakPolarHBondContact O-CB 3.49Å; T151-N154 PolarHBondContact O-N 3.18Å; F152-N154 VanDerWaalsContact C-N 3.25Å; F152-N154 PolarHBondContact O-N 3.42Å; N154-I156 VanDerWaalsContact C-N 3.28Å; N154-I156 PolarHBondContact O-N 3.05Å; N154-G157 PolarHBondContact O-N 3.09Å; N154-T160 WeakPolarHBondContact OD1-CG2 3.38Å; N154-T160 PolarHBondContact OD1-OG1 3.31Å; N154-I174 PolarHBondContact ND2-O 3.16Å; N154-Q176 PolarHBondContact OD1-NE2 3.03Å
155T98.5Very high98.6Very high105 Ų10517.8 Ų17.864%0.64411%0.111SC*.Hα-helixtrans-66.1-30.1177.970.40000113.1T151 F152 A153 G157T151-T155 WeakPolarHBondContact O-CG2 3.3Å; T151-T155 PolarHBondContact O-N 3.12Å; F152-T155 WeakPolarHBondContact O-CA 3.49Å; F152-T155 WeakPolarHBondContact O-CB 3.42Å; F152-T155 PolarHBondContact O-N 3.4Å; F152-T155 PolarHBondContact O-OG1 3.14Å; A153-T155 VanDerWaalsContact C-N 3.35Å; A153-T155 PolarHBondContact O-N 2.96Å; T155-G157 VanDerWaalsContact C-N 3.26Å
156I98.5Very high98.5Very high62 Ų6218.2 Ų18.232%0.31811%0.113SC..Hα-helixtrans-77.1-14.8174.8-59.9-57.3000111.8L128 S130 F152 A153 N154 A158L128-I156 HydrophobicContact CD2-CB 4.36Å; L128-I156 HydrophobicContact CD2-CG1 4.28Å; L128-I156 HydrophobicContact CD2-CG2 4.48Å; L128-I156 HydrophobicContact CG-CG2 4.3Å; S130-I156 WeakPolarHBondContact CB-O 3.49Å; F152-I156 HydrophobicContact CD1-CG1 4.45Å; F152-I156 HydrophobicContact CD2-CG1 4.49Å; F152-I156 HydrophobicContact CE1-CD1 4.47Å; F152-I156 HydrophobicContact CE1-CG1 3.94Å; F152-I156 HydrophobicContact CE2-CD1 3.89Å; F152-I156 HydrophobicContact CE2-CG1 3.98Å; F152-I156 HydrophobicContact CZ-CD1 3.72Å; F152-I156 HydrophobicContact CZ-CG1 3.67Å; F152-I156 PolarHBondContact O-N 3.15Å; A153-I156 PolarHBondContact O-N 3.17Å; N154-I156 VanDerWaalsContact C-N 3.28Å; N154-I156 PolarHBondContact O-N 3.05Å; I156-A158 VanDerWaalsContact C-N 3.34Å
157G98.5Very high98.3Very high42 Ų4223 Ų2343%0.43314%0.135SC..THydrogen-bonded Turntrans78.717.7-174.400000113.6A153 N154 T155A153-G157 PolarHBondContact O-N 3Å; N154-G157 PolarHBondContact O-N 3.09Å; T155-G157 VanDerWaalsContact C-N 3.26Å
158A98.8Very high98Very high1 Ų129.6 Ų29.61%0.00817%0.166CC..  trans-67.6160170.800000110.6L128 V134 A153 I156 Q176L128-A158 HydrophobicContact CD1-CB 4.37Å; L128-A158 HydrophobicContact CD2-CB 4.39Å; L128-A158 HydrophobicContact CG-CB 4.49Å; V134-A158 HydrophobicContact CG2-CB 4.45Å; A153-A158 HydrophobicContact CB-CB 4.28Å; A153-A158 PolarHBondContact O-N 3.32Å; I156-A158 VanDerWaalsContact C-N 3.34Å; A158-Q176 PolarHBondContact O-NE2 3.2Å
159T98.8Very high97.9Very high3 Ų329.6 Ų29.62%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-77.9127.2171.4-60.30000109.2K53 Q57 D132 V133 V134 Y177K53-T159 HydrophobicContact CD-CG2 4.45Å; K53-T159 WeakPolarHBondContact CE-OG1 3.14Å; K53-T159 HydrophobicContact CG-CG2 3.6Å; Q57-T159 PolarHBondContact NE2-OG1 2.79Å; D132-T159 PolarHBondContact O-N 3.5Å; V133-T159 CarbonylContact C-O 3.57Å; V133-T159 WeakPolarHBondContact CA-O 3.3Å; V133-T159 HydrophobicContact CG1-CG2 4.15Å; V133-T159 HydrophobicContact CG2-CG2 4.43Å; V134-T159 PolarHBondContact N-O 3.4Å; T159-Y177 HydrophobicContact CG2-CD2 3.84Å; T159-Y177 HydrophobicContact CG2-CE2 3.77Å
160T98.9Very high97.9Very high0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-110.2129.8-179.852.10000111.8V134 L150 A153 N154 Q176 Y177V134-T160 WeakPolarHBondContact O-CA 3.47Å; L150-T160 HydrophobicContact CD2-CG2 4.23Å; A153-T160 HydrophobicContact CB-CG2 3.62Å; N154-T160 WeakPolarHBondContact OD1-CG2 3.38Å; N154-T160 PolarHBondContact OD1-OG1 3.31Å; T160-Q176 PolarHBondContact O-N 3.19Å; T160-Q176 VanDerWaalsContact O-N 3.1Å; T160-Q176 WeakPolarHBondContact OG1-CG 3.46Å; T160-Q176 PolarHBondContact OG1-N 3.31Å; T160-Y177 PolarHBondContact O-N 3.4Å
161V98.9Very high97.8Very high1 Ų132.7 Ų32.71%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-122.7140.2175.8-175.30000107.3V50 V133 V134 I135 G136 L150 Y177 V179V50-V161 HydrophobicContact CG1-CG1 4.01Å; V50-V161 HydrophobicContact CG1-CG2 3.92Å; V50-V161 HydrophobicContact CG2-CG1 3.79Å; V50-V161 HydrophobicContact CG2-CG2 4.25Å; V133-V161 HydrophobicContact CG1-CG2 3.91Å; V134-V161 PolarHBondContact O-N 3.35Å; I135-V161 CarbonylContact C-O 3.59Å; I135-V161 WeakPolarHBondContact CA-O 3.39Å; I135-V161 HydrophobicContact CB-CB 4.27Å; I135-V161 HydrophobicContact CD1-CB 4.18Å; I135-V161 HydrophobicContact CD1-CG1 4.28Å; I135-V161 HydrophobicContact CD1-CG2 4.24Å; I135-V161 HydrophobicContact CG1-CB 3.88Å; I135-V161 HydrophobicContact CG1-CG1 4.45Å; I135-V161 HydrophobicContact CG1-CG2 4.1Å; I135-V161 HydrophobicContact CG2-CB 4.22Å; I135-V161 HydrophobicContact CG2-CG1 4.2Å; G136-V161 PolarHBondContact N-O 3.3Å; L150-V161 WeakPolarHBondContact CD2-O 3.2Å; V161-Y177 WeakPolarHBondContact CA-O 3.37Å; V161-Y177 WeakPolarHBondContact CG1-O 3.41Å; V161-V179 HydrophobicContact CG1-CG2 4.15Å
162S98.8Very high97.8Very high0 Ų030.6 Ų30.60%017%0.171CC..EExtended strand (participates in β ladder)trans-117.9146.4169.962.60000110.8G136 I171 S172 Y177 P178 V179G136-S162 CarbonylContact O-C 3.58Å; G136-S162 WeakPolarHBondContact O-CA 3.2Å; S162-I171 WeakPolarHBondContact CB-O 3.49Å; S162-I171 PolarHBondContact OG-O 2.65Å; S162-S172 WeakPolarHBondContact OG-CA 3.3Å; S162-Y177 PolarHBondContact N-O 3.3Å; S162-P178 WeakPolarHBondContact OG-CA 3.49Å; S162-V179 WeakPolarHBondContact O-CA 3.35Å; S162-V179 VanDerWaalsContact O-CB 3.28Å; S162-V179 WeakPolarHBondContact O-CB 3.22Å; S162-V179 PolarHBondContact O-N 2.99Å
163I98.8Very high97.8Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-123.6116.4172.4-60.5169.4000108.2I135 G136 I137 A138 V179 Q200 I203 L204 I207I135-I163 HydrophobicContact CG2-CD1 3.58Å; I135-I163 HydrophobicContact CG2-CG1 4Å; G136-I163 PolarHBondContact O-N 2.92Å; I137-I163 HydrophobicContact CG1-CD1 4.44Å; I137-I163 HydrophobicContact CG2-CB 4.38Å; A138-I163 PolarHBondContact N-O 2.9Å; I163-V179 WeakPolarHBondContact CA-O 3.43Å; I163-V179 HydrophobicContact CG1-CB 4.3Å; I163-Q200 HydrophobicContact CG2-CG 4.1Å; I163-I203 HydrophobicContact CD1-CB 4.46Å; I163-I203 HydrophobicContact CD1-CG2 3.52Å; I163-I203 HydrophobicContact CG1-CG2 4.12Å; I163-I203 HydrophobicContact CG2-CD1 3.86Å; I163-L204 HydrophobicContact CD1-CD2 3.99Å; I163-I207 HydrophobicContact CD1-CD1 4.38Å
164S98.5Very high97.7Very high0 Ų039.1 Ų39.10%021%0.212CC..EExtended strand (participates in β ladder)trans-130.8152.5-179172.60000111.5A138 N166 A169 V179 E180 V181A138-S164 WeakPolarHBondContact O-CA 3.49Å; S164-N166 PolarHBondContact OG-N 2.58Å; S164-N166 PolarHBondContact OG-O 3.07Å; S164-A169 VanDerWaalsContact OG-CB 3.25Å; S164-A169 WeakPolarHBondContact OG-CB 3.42Å; S164-V179 PolarHBondContact N-O 3.25Å; S164-E180 WeakPolarHBondContact O-CA 3.38Å; S164-V181 PolarHBondContact O-N 3.25Å
165C98Very high97.7Very high1 Ų137.2 Ų37.21%0.00720%0.204CC..SBendtrans-103.30.4170.7-69.10000113.9T6 T7 A139 V181 V183 S196T6-C165 PolarHBondContact OG1-O 3.49Å; T7-C165 HydrophobicContact CG2-CB 4.12Å; A139-C165 HydrophobicContact CB-CB 4.43Å; A139-C165 PolarHBondContact O-N 3.45Å; C165-V181 VanDerWaalsContact CA-O 3.24Å; C165-V181 WeakPolarHBondContact CA-O 3.32Å; C165-V183 HydrophobicContact CB-CG2 4.27Å; C165-S196 VanDerWaalsContact SG-CB 3.51Å
166N96Very high97.7Very high9 Ų936.7 Ų36.75%0.04819%0.194CC..SBendtrans-104.9145.8166.4-70.7-44.8000110.8S5 T6 T7 S140 S164S5-N166 PolarHBondContact OG-ND2 3.41Å; S5-N166 VanDerWaalsContact OG-ND2 3.09Å; T6-N166 PolarHBondContact N-OD1 2.99Å; T6-N166 PolarHBondContact OG1-OD1 2.95Å; T7-N166 PolarHBondContact N-OD1 3.41Å; T7-N166 PolarHBondContact OG1-ND2 2.87Å; S140-N166 PolarHBondContact O-ND2 3.32Å; S164-N166 PolarHBondContact OG-N 2.58Å; S164-N166 PolarHBondContact OG-O 3.07Å
167E93.2Very high97.7Very high100 Ų10036.3 Ų36.347%0.46719%0.189SC..THydrogen-bonded Turntrans-73149168.9-66.8171.5137.200110.2A169 E180 K182E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.33Å; E167-E180 WeakPolarHBondContact CA-OE2 3.18Å; E167-K182 HydrophobicContact CG-CB 4.46Å; E167-K182 HydrophobicContact CG-CD 4.18Å; E167-K182 WeakPolarHBondContact OE2-CD 3.38Å; E167-K182 IonicContact OE2-NZ 3.17Å; E167-K182 PolarHBondContact OE2-NZ 3.2Å
168H93.7Very high97.8Very high163 Ų16336.4 Ų36.476%0.75518%0.182SC*.THydrogen-bonded Turntrans54.643-179.8-53-69000113.1E180H168-E180 WeakPolarHBondContact CA-OE1 3.2Å; H168-E180 VanDerWaalsContact N-CD 3.33Å; H168-E180 PolarHBondContact N-OE1 3.18Å; H168-E180 PolarHBondContact N-OE2 3.49Å
169A96Very high97.7Very high5 Ų536.4 Ų36.44%0.04118%0.182CC..  trans-69146.5-179.300000112.1S164 E167 I171 S172 E173 E180S164-A169 VanDerWaalsContact OG-CB 3.25Å; S164-A169 WeakPolarHBondContact OG-CB 3.42Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 PolarHBondContact O-N 3.33Å; A169-I171 VanDerWaalsContact C-N 3.25Å; A169-I171 HydrophobicContact CB-CG1 4.15Å; A169-I171 PolarHBondContact O-N 3.03Å; A169-S172 WeakPolarHBondContact O-CA 3.43Å; A169-S172 WeakPolarHBondContact O-CB 3.47Å; A169-S172 PolarHBondContact O-N 2.8Å; A169-E173 PolarHBondContact O-N 2.75Å; A169-E180 PolarHBondContact N-OE1 3.49Å
170V97.5Very high97.7Very high66 Ų6639.2 Ų39.240%0.420%0.195SC..Hα-helixtrans-57.1-41176.7179.60000111G141 K142 I147 S172 E173 I174G141-V170 PolarHBondContact O-N 2.93Å; K142-V170 HydrophobicContact CB-CG2 4.21Å; I147-V170 HydrophobicContact CD1-CB 4.26Å; I147-V170 HydrophobicContact CD1-CG1 3.69Å; I147-V170 HydrophobicContact CG1-CG1 4.15Å; V170-S172 PolarHBondContact O-N 3.44Å; V170-E173 PolarHBondContact O-N 3.04Å; V170-I174 HydrophobicContact CG1-CD1 4.26Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 PolarHBondContact O-N 3.43Å
171I98.3Very high97.7Very high0 Ų039.3 Ų39.30%020%0.195CC..Hα-helixtrans-67.4-23.5175.463.1173.7000113.2A138 G141 V146 I147 L150 S162 A169 I174 A175A138-I171 HydrophobicContact CB-CD1 4.11Å; G141-I171 PolarHBondContact O-N 3.04Å; V146-I171 HydrophobicContact CB-CG2 4.32Å; V146-I171 HydrophobicContact CG1-CD1 4.39Å; V146-I171 HydrophobicContact CG1-CG2 3.93Å; I147-I171 HydrophobicContact CG1-CG2 3.67Å; L150-I171 HydrophobicContact CD1-CB 3.86Å; L150-I171 HydrophobicContact CD1-CG2 4.25Å; S162-I171 WeakPolarHBondContact CB-O 3.49Å; S162-I171 PolarHBondContact OG-O 2.65Å; A169-I171 VanDerWaalsContact C-N 3.25Å; A169-I171 HydrophobicContact CB-CG1 4.15Å; A169-I171 PolarHBondContact O-N 3.03Å; I171-I174 PolarHBondContact O-N 3.04Å; I171-A175 WeakPolarHBondContact O-CB 3.32Å; I171-A175 PolarHBondContact O-N 3.5Å
172S98Very high97.6Very high12 Ų1244.1 Ų44.18%0.08422%0.216CC..Hα-helixtrans-74.4-32.2176.2-61.90000112.8S162 A169 V170 I174 E180S162-S172 WeakPolarHBondContact OG-CA 3.3Å; A169-S172 WeakPolarHBondContact O-CA 3.43Å; A169-S172 WeakPolarHBondContact O-CB 3.47Å; A169-S172 PolarHBondContact O-N 2.8Å; V170-S172 PolarHBondContact O-N 3.44Å; S172-I174 VanDerWaalsContact C-N 3.26Å; S172-E180 WeakPolarHBondContact CB-OE1 3.32Å; S172-E180 WeakPolarHBondContact OG-CG 3.48Å; S172-E180 PolarHBondContact OG-OE1 2.86Å
173E97.8Very high97.5Very high159 Ų15944.6 Ų44.674%0.74322%0.219SC*.Hα-helixtrans-70.9-26.1173.2-62.4-177.2168.200112.1A169 V170A169-E173 PolarHBondContact O-N 2.75Å; V170-E173 PolarHBondContact O-N 3.04Å
174I98.3Very high97.4Very high41 Ų4145.3 Ų45.321%0.2123%0.226CC..Hα-helixtrans-86.1-38-179.3-61.6165.8000111.5I147 L150 N154 V170 I171 S172I147-I174 HydrophobicContact CB-CD1 4.24Å; I147-I174 HydrophobicContact CG1-CD1 4.26Å; I147-I174 HydrophobicContact CG2-CD1 3.64Å; L150-I174 HydrophobicContact CB-CG2 3.81Å; N154-I174 PolarHBondContact ND2-O 3.16Å; V170-I174 HydrophobicContact CG1-CD1 4.26Å; V170-I174 WeakPolarHBondContact O-CG1 3.43Å; V170-I174 PolarHBondContact O-N 3.43Å; I171-I174 PolarHBondContact O-N 3.04Å; S172-I174 VanDerWaalsContact C-N 3.26Å
175A98.6Very high97.3Very high11 Ų1147.2 Ų47.29%0.09124%0.238CC..  trans-76.6143.8-175.500000112.9L150 I171 Y177L150-A175 HydrophobicContact CD1-CB 4.47Å; I171-A175 WeakPolarHBondContact O-CB 3.32Å; I171-A175 PolarHBondContact O-N 3.5Å; A175-Y177 VanDerWaalsContact C-N 3.28Å; A175-Y177 PolarHBondContact O-N 2.92Å
176Q98.6Very high97.3Very high94 Ų9447.1 Ų47.144%0.43924%0.238SC..SBendtrans-67.3-31.2172.8-66.1163.126.600112.2N154 A158 T160N154-Q176 PolarHBondContact OD1-NE2 3.03Å; A158-Q176 PolarHBondContact O-NE2 3.2Å; T160-Q176 PolarHBondContact O-N 3.19Å; T160-Q176 VanDerWaalsContact O-N 3.1Å; T160-Q176 WeakPolarHBondContact OG1-CG 3.46Å; T160-Q176 PolarHBondContact OG1-N 3.31Å
177Y98.7Very high97.4Very high55 Ų5547.4 Ų47.422%0.21624%0.24CC..EExtended strand (participates in β ladder)trans-127.583.6179.4-61.9-94.2000110.7K49 V50 K53 T159 T160 V161 S162 A175K49-Y177 HydrophobicContact CB-CD1 4.03Å; K49-Y177 HydrophobicContact CB-CE1 4.05Å; V50-Y177 HydrophobicContact CG2-CD1 4.46Å; V50-Y177 HydrophobicContact CG2-CG 4.33Å; K53-Y177 HydrophobicContact CB-CE2 4.45Å; K53-Y177 HydrophobicContact CG-CE2 3.92Å; T159-Y177 HydrophobicContact CG2-CD2 3.84Å; T159-Y177 HydrophobicContact CG2-CE2 3.77Å; T160-Y177 PolarHBondContact O-N 3.4Å; V161-Y177 WeakPolarHBondContact CA-O 3.37Å; V161-Y177 WeakPolarHBondContact CG1-O 3.41Å; S162-Y177 PolarHBondContact N-O 3.3Å; A175-Y177 VanDerWaalsContact C-N 3.28Å; A175-Y177 PolarHBondContact O-N 2.92Å
178P98.5Very high97.6Very high44 Ų4447.2 Ų47.229%0.28624%0.242SC..EExtended strand (participates in β ladder)trans-71.4139.2177.328.5-35.1000111.6Q46 S162Q46-P178 VanDerWaalsContact CD-O 3.31Å; Q46-P178 WeakPolarHBondContact CG-O 3.06Å; Q46-P178 PolarHBondContact NE2-O 3.3Å; S162-P178 WeakPolarHBondContact OG-CA 3.49Å
179V98.7Very high97.8Very high1 Ų142.4 Ų42.41%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-125.6103.6173-1790000108.4A43 Q46 L47 V50 V161 S162 I163 S164 V181 I203A43-V179 HydrophobicContact CB-CG1 4.06Å; Q46-V179 HydrophobicContact CG-CG2 4.15Å; L47-V179 HydrophobicContact CD2-CG1 3.91Å; L47-V179 HydrophobicContact CD2-CG2 4.12Å; L47-V179 HydrophobicContact CG-CG1 4.38Å; V50-V179 HydrophobicContact CG2-CG2 3.94Å; V161-V179 HydrophobicContact CG1-CG2 4.15Å; S162-V179 WeakPolarHBondContact O-CA 3.35Å; S162-V179 VanDerWaalsContact O-CB 3.28Å; S162-V179 WeakPolarHBondContact O-CB 3.22Å; S162-V179 PolarHBondContact O-N 2.99Å; I163-V179 WeakPolarHBondContact CA-O 3.43Å; I163-V179 HydrophobicContact CG1-CB 4.3Å; S164-V179 PolarHBondContact N-O 3.25Å; V179-V181 HydrophobicContact CG1-CG2 4.29Å; V179-I203 HydrophobicContact CG1-CD1 4.27Å
180E98.1Very high97.7Very high62 Ų6243.4 Ų43.429%0.2923%0.234SC..EExtended strand (participates in β ladder)trans-107.1124.9-179.5-59.8-172.5154.200110.4S164 E167 H168 A169 S172S164-E180 WeakPolarHBondContact O-CA 3.38Å; E167-E180 WeakPolarHBondContact CA-OE2 3.18Å; H168-E180 WeakPolarHBondContact CA-OE1 3.2Å; H168-E180 VanDerWaalsContact N-CD 3.33Å; H168-E180 PolarHBondContact N-OE1 3.18Å; H168-E180 PolarHBondContact N-OE2 3.49Å; A169-E180 PolarHBondContact N-OE1 3.49Å; S172-E180 WeakPolarHBondContact CB-OE1 3.32Å; S172-E180 WeakPolarHBondContact OG-CG 3.48Å; S172-E180 PolarHBondContact OG-OE1 2.86Å
181V97.9Very high97.7Very high2 Ų241.1 Ų41.11%0.01222%0.222CC..  trans-128.292.9-179.1-177.10000110.4A39 V40 A43 S164 C165 V179 V183 A199 I203A39-V181 HydrophobicContact CB-CG1 3.7Å; V40-V181 HydrophobicContact CG2-CG1 3.98Å; A43-V181 HydrophobicContact CB-CG2 3.75Å; S164-V181 PolarHBondContact O-N 3.25Å; C165-V181 VanDerWaalsContact CA-O 3.24Å; C165-V181 WeakPolarHBondContact CA-O 3.32Å; V179-V181 HydrophobicContact CG1-CG2 4.29Å; V181-V183 HydrophobicContact CG1-CG1 4.1Å; V181-V183 PolarHBondContact O-N 3.11Å; V181-A199 HydrophobicContact CG1-CB 4.14Å; V181-I203 HydrophobicContact CB-CD1 4.3Å; V181-I203 HydrophobicContact CG2-CD1 3.57Å
182K96.7Very high97.7Very high101 Ų10143 Ų4344%0.43923%0.233SC..  trans-71.398.2176.1-175.9174-176.8165.20111.1T6 E167T6-K182 HydrophobicContact CG2-CD 4.44Å; T6-K182 HydrophobicContact CG2-CG 4.47Å; E167-K182 HydrophobicContact CG-CB 4.46Å; E167-K182 HydrophobicContact CG-CD 4.18Å; E167-K182 WeakPolarHBondContact OE2-CD 3.38Å; E167-K182 IonicContact OE2-NZ 3.17Å; E167-K182 PolarHBondContact OE2-NZ 3.2Å
183V97.4Very high97.7Very high11 Ų1149.8 Ų49.87%0.06726%0.257CS..  trans-87.1-7.6174.3-63.70000113.4V36 A39 C165 V181 K195 A199V36-V183 HydrophobicContact CG1-CG1 4.45Å; V36-V183 HydrophobicContact CG2-CG1 4.4Å; A39-V183 HydrophobicContact CB-CG1 4.21Å; C165-V183 HydrophobicContact CB-CG2 4.27Å; V181-V183 HydrophobicContact CG1-CG1 4.1Å; V181-V183 PolarHBondContact O-N 3.11Å; V183-K195 HydrophobicContact CB-CB 3.96Å; V183-K195 HydrophobicContact CG1-CB 4.48Å; V183-K195 HydrophobicContact CG2-CB 3.88Å; V183-K195 PolarHBondContact O-NZ 3.48Å; V183-A199 HydrophobicContact CG1-CB 3.76Å
184G95.9Very high97.7Very high15 Ų1543 Ų4316%0.15523%0.226CC..  trans75.7-177.1-176.800000113.8
185P97.1Very high97.7Very high39 Ų3941.2 Ų41.225%0.25322%0.216SC..SBendtrans-55.7137.5-179.2-27.736.9000113.4A9 N11 K195A9-P185 HydrophobicContact CB-CB 4.42Å; A9-P185 HydrophobicContact CB-CG 3.92Å; A9-P185 WeakPolarHBondContact O-CB 3.35Å; N11-P185 HydrophobicContact CB-CB 3.76Å; N11-P185 PolarHBondContact ND2-O 2.6Å; P185-K195 WeakPolarHBondContact O-CE 3.48Å; P185-K195 PolarHBondContact O-NZ 3.36Å
186E98.3Very high97.7Very high0 Ų040.7 Ų40.70%021%0.212CC..  trans-73.5151.1176.2-60.9-69.2-175.900111.2N11 L188 T192 L194 K195 S196N11-E186 WeakPolarHBondContact CB-O 3.23Å; E186-L188 VanDerWaalsContact CB-O 3.27Å; E186-L188 WeakPolarHBondContact CB-O 3.34Å; E186-L188 PolarHBondContact O-N 2.94Å; E186-T192 WeakPolarHBondContact OE1-CA 3.46Å; E186-L194 WeakPolarHBondContact OE2-CB 3.5Å; E186-K195 PolarHBondContact OE1-N 2.98Å; E186-K195 VanDerWaalsContact OE2-CB 3.27Å; E186-K195 WeakPolarHBondContact OE2-CB 3.11Å; E186-K195 PolarHBondContact OE2-N 2.86Å; E186-S196 WeakPolarHBondContact OE1-CB 3.38Å; E186-S196 PolarHBondContact OE1-N 3.47Å; E186-S196 PolarHBondContact OE1-OG 2.88Å
187V98Very high97.7Very high14 Ų1436.4 Ų36.49%0.08519%0.193CC..SBendtrans-57.2-35.8177-70.20000112.6T14 M29 E32 L194T14-V187 WeakPolarHBondContact CB-O 3.48Å; T14-V187 HydrophobicContact CG2-CB 3.95Å; T14-V187 HydrophobicContact CG2-CG1 3.91Å; T14-V187 PolarHBondContact OG1-O 3.02Å; M29-V187 HydrophobicContact CG-CG2 4.38Å; E32-V187 HydrophobicContact CB-CG1 3.96Å; E32-V187 HydrophobicContact CG-CG1 3.66Å; V187-L194 HydrophobicContact CG2-CD1 3.45Å; V187-L194 VanDerWaalsContact CG2-CD1 3.45Å
188L98.1Very high97.7Very high97 Ų9736.5 Ų36.551%0.50820%0.199SC..SBendtrans-108.1113.8166.8177.164000107.2E186 G190 S191E186-L188 VanDerWaalsContact CB-O 3.27Å; E186-L188 WeakPolarHBondContact CB-O 3.34Å; E186-L188 PolarHBondContact O-N 2.94Å; L188-G190 PolarHBondContact O-N 3.04Å; L188-S191 WeakPolarHBondContact O-CB 3.41Å; L188-S191 PolarHBondContact O-N 3.18Å
189T97Very high97.7Very high62 Ų6234.4 Ų34.438%0.3819%0.186SC..THydrogen-bonded Turntrans-50.5129.1-173.8-57.40000112E8 R10 S191E8-T189 WeakPolarHBondContact O-CG2 3.45Å; R10-T189 HydrophobicContact CG-CG2 4.19Å; T189-S191 PolarHBondContact O-N 3.16Å
190G94.6Very high97.7Very high25 Ų2534.5 Ų34.526%0.25819%0.186SC..THydrogen-bonded Turntrans76.6-8.8-178.600000115.5T7 L188 T192T7-G190 WeakPolarHBondContact O-CA 3.45Å; L188-G190 PolarHBondContact O-N 3.04Å; G190-T192 PolarHBondContact O-N 3.29Å
191S97.6Very high97.8Very high19 Ų1935.3 Ų35.313%0.13319%0.189CC..  trans-7863-178.5-177.80000112.4L188 T189 R193 L194L188-S191 WeakPolarHBondContact O-CB 3.41Å; L188-S191 PolarHBondContact O-N 3.18Å; T189-S191 PolarHBondContact O-N 3.16Å; S191-R193 PolarHBondContact O-N 3.39Å; S191-R193 WeakPolarHBondContact OG-CG 2.94Å; S191-L194 WeakPolarHBondContact O-CB 3.38Å; S191-L194 WeakPolarHBondContact O-CG 3.3Å; S191-L194 PolarHBondContact O-N 3.49Å; S191-L194 VanDerWaalsContact O-N 3.08Å
192T97.6Very high97.8Very high39 Ų3937.9 Ų37.924%0.23920%0.202CC..THydrogen-bonded Turntrans-63.3-4.7-177.656.30000114.7T7 A139 E186 G190 L194 S196 G197T7-T192 HydrophobicContact CG2-CG2 3.95Å; A139-T192 HydrophobicContact CB-CG2 3.93Å; E186-T192 WeakPolarHBondContact OE1-CA 3.46Å; G190-T192 PolarHBondContact O-N 3.29Å; T192-L194 PolarHBondContact O-N 2.89Å; T192-L194 VanDerWaalsContact O-N 3.16Å; T192-S196 WeakPolarHBondContact O-CB 3.2Å; T192-G197 PolarHBondContact O-N 3.35Å
193R97.6Very high97.9Very high154 Ų15433.1 Ų33.158%0.58118%0.181SC*.THydrogen-bonded Turntrans-63.4-11.9166.670.7174.4-175.383.30.6113.8T71 S191T71-R193 HydrophobicContact CG2-CB 4.12Å; T71-R193 WeakPolarHBondContact OG1-CB 3.46Å; S191-R193 PolarHBondContact O-N 3.39Å; S191-R193 WeakPolarHBondContact OG-CG 2.94Å
194L98.4Very high98Very high17 Ų1732.6 Ų32.69%0.08918%0.178CC..THydrogen-bonded Turntrans-90.4-110.7-176.3-59177.7000110.9M29 E186 V187 S191 T192 S196 G197 T198M29-L194 HydrophobicContact CE-CD2 3.98Å; E186-L194 WeakPolarHBondContact OE2-CB 3.5Å; V187-L194 HydrophobicContact CG2-CD1 3.45Å; V187-L194 VanDerWaalsContact CG2-CD1 3.45Å; S191-L194 WeakPolarHBondContact O-CB 3.38Å; S191-L194 WeakPolarHBondContact O-CG 3.3Å; S191-L194 PolarHBondContact O-N 3.49Å; S191-L194 VanDerWaalsContact O-N 3.08Å; T192-L194 PolarHBondContact O-N 2.89Å; T192-L194 VanDerWaalsContact O-N 3.16Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 2.9Å; L194-G197 PolarHBondContact O-N 2.87Å; L194-G197 VanDerWaalsContact O-N 3.11Å; L194-T198 PolarHBondContact O-N 2.79Å; L194-T198 PolarHBondContact O-OG1 3.45Å
195K98.6Very high98.1Very high4 Ų433.7 Ų33.72%0.01718%0.181CC..Hα-helixtrans-60.1-40.3-174-71.1-171.8-73.8178.30112.4E32 V36 V183 P185 E186 T198 A199E32-K195 HydrophobicContact CB-CD 4Å; E32-K195 WeakPolarHBondContact O-CD 3.33Å; E32-K195 IonicContact OE2-NZ 3.39Å; E32-K195 PolarHBondContact OE2-NZ 3.12Å; V36-K195 HydrophobicContact CG2-CB 3.65Å; V36-K195 HydrophobicContact CG2-CD 4.03Å; V36-K195 HydrophobicContact CG2-CG 3.67Å; V183-K195 HydrophobicContact CB-CB 3.96Å; V183-K195 HydrophobicContact CG1-CB 4.48Å; V183-K195 HydrophobicContact CG2-CB 3.88Å; V183-K195 PolarHBondContact O-NZ 3.48Å; P185-K195 WeakPolarHBondContact O-CE 3.48Å; P185-K195 PolarHBondContact O-NZ 3.36Å; E186-K195 PolarHBondContact OE1-N 2.98Å; E186-K195 VanDerWaalsContact OE2-CB 3.27Å; E186-K195 WeakPolarHBondContact OE2-CB 3.11Å; E186-K195 PolarHBondContact OE2-N 2.86Å; K195-T198 PolarHBondContact O-N 3.41Å; K195-A199 WeakPolarHBondContact O-CB 3.47Å; K195-A199 PolarHBondContact O-N 3.17Å
196S98.6Very high98.2Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-63.1-43.7178.3-50.80000110.9C165 E186 T192 L194 A199 Q200C165-S196 VanDerWaalsContact SG-CB 3.51Å; E186-S196 WeakPolarHBondContact OE1-CB 3.38Å; E186-S196 PolarHBondContact OE1-N 3.47Å; E186-S196 PolarHBondContact OE1-OG 2.88Å; T192-S196 WeakPolarHBondContact O-CB 3.2Å; L194-S196 VanDerWaalsContact C-N 3.29Å; L194-S196 PolarHBondContact O-N 2.9Å; S196-A199 PolarHBondContact O-N 3.14Å; S196-Q200 WeakPolarHBondContact O-CB 3.46Å; S196-Q200 VanDerWaalsContact O-CG 3.23Å; S196-Q200 WeakPolarHBondContact O-CG 3.22Å; S196-Q200 PolarHBondContact O-N 3.32Å
197G98.6Very high98.2Very high4 Ų435.4 Ų35.44%0.04119%0.186CC..Hα-helixtrans-61.1-43.2172.200000113.1L75 T192 L194 A199 Q200 K201L75-G197 WeakPolarHBondContact CD1-O 3.36Å; T192-G197 PolarHBondContact O-N 3.35Å; L194-G197 PolarHBondContact O-N 2.87Å; L194-G197 VanDerWaalsContact O-N 3.11Å; G197-A199 PolarHBondContact O-N 3.03Å; G197-Q200 PolarHBondContact O-N 3.29Å; G197-K201 PolarHBondContact O-N 3.03Å
198T98.8Very high98.3Very high57 Ų5734.9 Ų34.935%0.3518%0.183SC..Hα-helixtrans-61.2-45.1174.9-600000111.3V36 L194 K195 Q200 K201 L202V36-T198 HydrophobicContact CB-CG2 4.33Å; V36-T198 HydrophobicContact CG1-CG2 3.83Å; L194-T198 PolarHBondContact O-N 2.79Å; L194-T198 PolarHBondContact O-OG1 3.45Å; K195-T198 PolarHBondContact O-N 3.41Å; T198-Q200 PolarHBondContact O-N 3.42Å; T198-K201 PolarHBondContact O-N 2.84Å; T198-L202 HydrophobicContact CG2-CD1 4.49Å; T198-L202 WeakPolarHBondContact O-CG 3.24Å; T198-L202 PolarHBondContact O-N 3.02Å
199A98.8Very high98.3Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-60.3-46.5176.300000111.6V36 V40 V181 V183 K195 S196 G197 K201 L202 I203V36-A199 HydrophobicContact CG1-CB 3.82Å; V40-A199 HydrophobicContact CG2-CB 4.06Å; V181-A199 HydrophobicContact CG1-CB 4.14Å; V183-A199 HydrophobicContact CG1-CB 3.76Å; K195-A199 WeakPolarHBondContact O-CB 3.47Å; K195-A199 PolarHBondContact O-N 3.17Å; S196-A199 PolarHBondContact O-N 3.14Å; G197-A199 PolarHBondContact O-N 3.03Å; A199-K201 PolarHBondContact O-N 2.88Å; A199-L202 PolarHBondContact O-N 3.13Å; A199-I203 WeakPolarHBondContact O-CD1 3.23Å; A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.41Å; A199-I203 PolarHBondContact O-N 3.27Å
200Q98.8Very high98.3Very high2 Ų233.9 Ų33.91%0.00918%0.177CC..Hα-helixtrans-57.8-48.1176.3-72.2168.6-7.500111.1S72 L75 I137 I163 S196 G197 T198 L202 I203 L204S72-Q200 PolarHBondContact OG-NE2 2.85Å; S72-Q200 PolarHBondContact OG-OE1 3.11Å; L75-Q200 HydrophobicContact CD1-CB 3.92Å; I137-Q200 HydrophobicContact CG2-CB 4.35Å; I137-Q200 HydrophobicContact CG2-CG 3.8Å; I163-Q200 HydrophobicContact CG2-CG 4.1Å; S196-Q200 WeakPolarHBondContact O-CB 3.46Å; S196-Q200 VanDerWaalsContact O-CG 3.23Å; S196-Q200 WeakPolarHBondContact O-CG 3.22Å; S196-Q200 PolarHBondContact O-N 3.32Å; G197-Q200 PolarHBondContact O-N 3.29Å; T198-Q200 PolarHBondContact O-N 3.42Å; Q200-L202 PolarHBondContact O-N 2.91Å; Q200-I203 PolarHBondContact O-N 3.46Å; Q200-L204 VanDerWaalsContact O-CG 3.26Å; Q200-L204 WeakPolarHBondContact O-CG 3.49Å; Q200-L204 PolarHBondContact O-N 2.9Å
201K98.8Very high98.5Very high80 Ų8032.7 Ų32.735%0.34817%0.165SC..Hα-helixtrans-55.4-49.3176.4-172.8-169.4-172.1-610111.8L75 G197 T198 A199 I203 L204 N205L75-K201 HydrophobicContact CD2-CB 4.16Å; L75-K201 HydrophobicContact CD2-CG 4.47Å; G197-K201 PolarHBondContact O-N 3.03Å; T198-K201 PolarHBondContact O-N 2.84Å; A199-K201 PolarHBondContact O-N 2.88Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 2.83Å; K201-L204 PolarHBondContact O-N 2.81Å; K201-N205 PolarHBondContact NZ-OD1 3.06Å; K201-N205 WeakPolarHBondContact O-CB 3.33Å; K201-N205 PolarHBondContact O-N 3.31Å
202L98.8Very high98.5Very high55 Ų5531.8 Ų31.829%0.28816%0.159SC..Hα-helixtrans-61-42.9-179.7-66.8178.8000111.5V36 P37 V40 T198 A199 Q200 M206V36-L202 HydrophobicContact CG1-CD1 4.14Å; P37-L202 HydrophobicContact CG-CD1 4.4Å; V40-L202 HydrophobicContact CG2-CB 4.39Å; V40-L202 HydrophobicContact CG2-CD1 4.31Å; T198-L202 HydrophobicContact CG2-CD1 4.49Å; T198-L202 WeakPolarHBondContact O-CG 3.24Å; T198-L202 PolarHBondContact O-N 3.02Å; A199-L202 PolarHBondContact O-N 3.13Å; Q200-L202 PolarHBondContact O-N 2.91Å; L202-M206 WeakPolarHBondContact O-CB 3.44Å; L202-M206 VanDerWaalsContact O-CG 3.24Å; L202-M206 WeakPolarHBondContact O-CG 3.34Å; L202-M206 PolarHBondContact O-N 3.42Å
203I98.8Very high98.5Very high1 Ų133 Ų331%0.00517%0.166CC..Hα-helixtrans-64.4-47.4178.5-68.8162.1000111.3V40 L47 I163 V179 V181 A199 Q200 K201 M206 I207V40-I203 HydrophobicContact CG1-CG1 4.21Å; V40-I203 HydrophobicContact CG2-CG1 4.4Å; L47-I203 HydrophobicContact CD2-CG2 3.65Å; I163-I203 HydrophobicContact CD1-CB 4.46Å; I163-I203 HydrophobicContact CD1-CG2 3.52Å; I163-I203 HydrophobicContact CG1-CG2 4.12Å; I163-I203 HydrophobicContact CG2-CD1 3.86Å; V179-I203 HydrophobicContact CG1-CD1 4.27Å; V181-I203 HydrophobicContact CB-CD1 4.3Å; V181-I203 HydrophobicContact CG2-CD1 3.57Å; A199-I203 WeakPolarHBondContact O-CD1 3.23Å; A199-I203 VanDerWaalsContact O-CG1 3.24Å; A199-I203 WeakPolarHBondContact O-CG1 3.41Å; A199-I203 PolarHBondContact O-N 3.27Å; Q200-I203 PolarHBondContact O-N 3.46Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 2.83Å; I203-M206 WeakPolarHBondContact O-CB 3.24Å; I203-M206 PolarHBondContact O-N 3.03Å; I203-I207 HydrophobicContact CG2-CD1 3.75Å; I203-I207 HydrophobicContact CG2-CG1 4.42Å; I203-I207 WeakPolarHBondContact O-CG1 3.49Å; I203-I207 PolarHBondContact O-N 3.33Å
204L98.9Very high98.4Very high1 Ų126.6 Ų26.61%0.00515%0.148CC..Hα-helixtrans-60.2-48.3179.2-65.9173.3000110.7Y66 L75 D79 I137 I163 Q200 K201 M206 I207 S208Y66-L204 HydrophobicContact CD1-CD2 3.66Å; Y66-L204 HydrophobicContact CE1-CD2 3.47Å; Y66-L204 VanDerWaalsContact CE1-CD2 3.47Å; Y66-L204 HydrophobicContact CG-CD2 4.39Å; L75-L204 HydrophobicContact CB-CD1 4Å; D79-L204 HydrophobicContact CB-CB 4.05Å; D79-L204 HydrophobicContact CB-CD1 4.44Å; I137-L204 HydrophobicContact CD1-CD1 3.97Å; I137-L204 HydrophobicContact CD1-CD2 3.78Å; I137-L204 HydrophobicContact CD1-CG 4.41Å; I163-L204 HydrophobicContact CD1-CD2 3.99Å; Q200-L204 VanDerWaalsContact O-CG 3.26Å; Q200-L204 WeakPolarHBondContact O-CG 3.49Å; Q200-L204 PolarHBondContact O-N 2.9Å; K201-L204 PolarHBondContact O-N 2.81Å; L204-M206 VanDerWaalsContact C-N 3.29Å; L204-M206 PolarHBondContact O-N 3.32Å; L204-I207 PolarHBondContact O-N 2.99Å; L204-S208 PolarHBondContact O-N 2.91Å; L204-S208 PolarHBondContact O-OG 3.03Å
205N98.8Very high98.3Very high38 Ų3826.4 Ų26.420%0.20315%0.147CC..Hα-helixtrans-60.6-37.2176.8-70.6166.2000112.4D79 K201 S208 T209D79-N205 WeakPolarHBondContact OD1-CA 3.26Å; D79-N205 PolarHBondContact OD1-N 3.49Å; D79-N205 PolarHBondContact OD1-ND2 3.07Å; K201-N205 PolarHBondContact NZ-OD1 3.06Å; K201-N205 WeakPolarHBondContact O-CB 3.33Å; K201-N205 PolarHBondContact O-N 3.31Å; N205-S208 PolarHBondContact O-OG 3.28Å; N205-T209 WeakPolarHBondContact O-CB 3.26Å; N205-T209 PolarHBondContact O-N 3.39Å; N205-T209 PolarHBondContact O-OG1 3.21Å
206M98.8Very high98.1Very high75 Ų7526.3 Ų26.337%0.36915%0.147SC..Hα-helixtrans-64.5-42173.2-74.7-178.6-173.500111.9V40 L47 L202 I203 L204 I210V40-M206 HydrophobicContact CG1-CE 3.86Å; V40-M206 HydrophobicContact CG1-SD 4.03Å; L47-M206 HydrophobicContact CD1-SD 3.98Å; L202-M206 WeakPolarHBondContact O-CB 3.44Å; L202-M206 VanDerWaalsContact O-CG 3.24Å; L202-M206 WeakPolarHBondContact O-CG 3.34Å; L202-M206 PolarHBondContact O-N 3.42Å; I203-M206 WeakPolarHBondContact O-CB 3.24Å; I203-M206 PolarHBondContact O-N 3.03Å; L204-M206 VanDerWaalsContact C-N 3.29Å; L204-M206 PolarHBondContact O-N 3.32Å; M206-I210 WeakPolarHBondContact O-CB 3.34Å; M206-I210 VanDerWaalsContact O-CG1 3.24Å; M206-I210 WeakPolarHBondContact O-CG1 3.47Å; M206-I210 PolarHBondContact O-N 3.31Å
207I98.8Very high98Very high0 Ų027.4 Ų27.40%015%0.152CC..Hα-helixtrans-66.1-58.1179.8-67.9168.1000110.2L47 V50 I51 L64 I135 I163 I203 L204 T211L47-I207 HydrophobicContact CD2-CD1 4.24Å; L47-I207 HydrophobicContact CD2-CG1 4.26Å; V50-I207 HydrophobicContact CG1-CD1 4.03Å; V50-I207 HydrophobicContact CG1-CG1 4.25Å; I51-I207 HydrophobicContact CG1-CG1 4.25Å; L64-I207 HydrophobicContact CD2-CG2 4.09Å; I135-I207 HydrophobicContact CD1-CD1 3.84Å; I135-I207 HydrophobicContact CD1-CG2 4.06Å; I163-I207 HydrophobicContact CD1-CD1 4.38Å; I203-I207 HydrophobicContact CG2-CD1 3.75Å; I203-I207 HydrophobicContact CG2-CG1 4.42Å; I203-I207 WeakPolarHBondContact O-CG1 3.49Å; I203-I207 PolarHBondContact O-N 3.33Å; L204-I207 PolarHBondContact O-N 2.99Å; I207-T211 WeakPolarHBondContact O-CB 3.46Å; I207-T211 PolarHBondContact O-N 3.18Å; I207-T211 PolarHBondContact O-OG1 2.74Å
208S98.5Very high97.8Very high2 Ų228.8 Ų28.81%0.01416%0.159CC..Hα-helixtrans-59.3-52.3-177.556.10000111.5D79 L204 N205 I210 T211 M212D79-S208 PolarHBondContact OD1-OG 3.32Å; D79-S208 WeakPolarHBondContact OD2-CB 3.31Å; D79-S208 PolarHBondContact OD2-OG 2.99Å; L204-S208 PolarHBondContact O-N 2.91Å; L204-S208 PolarHBondContact O-OG 3.03Å; N205-S208 PolarHBondContact O-OG 3.28Å; S208-I210 PolarHBondContact O-N 3.31Å; S208-T211 PolarHBondContact O-N 3.48Å; S208-M212 WeakPolarHBondContact O-CB 3.29Å; S208-M212 WeakPolarHBondContact O-CG 3.35Å; S208-M212 PolarHBondContact O-N 3.27Å
209T98.4Very high97.6Very high57 Ų5727.5 Ų27.535%0.3515%0.148SC..Hα-helixtrans-61.1-50.3-176.8-56.80000112.2F87 N205 T211 M212 V213F87-T209 HydrophobicContact CZ-CG2 4.23Å; N205-T209 WeakPolarHBondContact O-CB 3.26Å; N205-T209 PolarHBondContact O-N 3.39Å; N205-T209 PolarHBondContact O-OG1 3.21Å; T209-T211 VanDerWaalsContact C-N 3.34Å; T209-T211 PolarHBondContact O-N 3.39Å; T209-M212 PolarHBondContact O-N 3.44Å; T209-V213 WeakPolarHBondContact O-CG2 3.26Å; T209-V213 PolarHBondContact O-N 2.98Å
210I98.5Very high97.4Very high82 Ų8232.2 Ų32.242%0.42117%0.174SC..Hα-helixtrans-74.6-28.5-176.1-54.5-59.7000111.3I51 M206 S208 G214I51-I210 HydrophobicContact CD1-CB 4.13Å; I51-I210 HydrophobicContact CD1-CG2 4.46Å; I51-I210 HydrophobicContact CG2-CB 3.97Å; I51-I210 HydrophobicContact CG2-CG2 3.63Å; M206-I210 WeakPolarHBondContact O-CB 3.34Å; M206-I210 VanDerWaalsContact O-CG1 3.24Å; M206-I210 WeakPolarHBondContact O-CG1 3.47Å; M206-I210 PolarHBondContact O-N 3.31Å; S208-I210 PolarHBondContact O-N 3.31Å; I210-G214 PolarHBondContact O-N 2.96Å
211T98.3Very high97.2Very high0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-60.1-47.7167.1-71.90000110.8T54 I55 Y58 I207 S208 T209 V213 G214 V215T54-T211 HydrophobicContact CG2-CG2 3.84Å; T54-T211 WeakPolarHBondContact CG2-OG1 3.4Å; I55-T211 HydrophobicContact CG1-CG2 4.25Å; Y58-T211 HydrophobicContact CD2-CG2 4.45Å; I207-T211 WeakPolarHBondContact O-CB 3.46Å; I207-T211 PolarHBondContact O-N 3.18Å; I207-T211 PolarHBondContact O-OG1 2.74Å; S208-T211 PolarHBondContact O-N 3.48Å; T209-T211 VanDerWaalsContact C-N 3.34Å; T209-T211 PolarHBondContact O-N 3.39Å; T211-V213 PolarHBondContact O-N 3.22Å; T211-G214 CarbonylContact O-C 3.59Å; T211-G214 WeakPolarHBondContact O-CA 3.41Å; T211-G214 PolarHBondContact O-N 3.38Å; T211-V215 WeakPolarHBondContact O-CG2 3.4Å; T211-V215 PolarHBondContact O-N 3.07Å
212M97.6Very high96.9Very high0 Ų036.5 Ų36.50%020%0.2CC..Hα-helixtrans-64.3-37.1179.8-67.5-64.8137.200112.9Y58 F87 T89 I94 S208 T209 G214 V215 G216 K217Y58-M212 HydrophobicContact CD2-CE 4.04Å; Y58-M212 HydrophobicContact CE1-CE 4.32Å; Y58-M212 HydrophobicContact CE2-CE 3.38Å; F87-M212 HydrophobicContact CB-CB 4.34Å; F87-M212 HydrophobicContact CB-CG 4.04Å; F87-M212 HydrophobicContact CB-SD 4.01Å; F87-M212 HydrophobicContact CD1-CB 3.59Å; F87-M212 HydrophobicContact CD1-CG 4.06Å; F87-M212 HydrophobicContact CD2-CB 3.95Å; F87-M212 HydrophobicContact CD2-CG 3.5Å; F87-M212 HydrophobicContact CD2-SD 4.42Å; F87-M212 HydrophobicContact CE1-CB 3.73Å; F87-M212 HydrophobicContact CE1-CG 4.38Å; F87-M212 HydrophobicContact CE2-CB 4.07Å; F87-M212 HydrophobicContact CE2-CG 3.86Å; F87-M212 HydrophobicContact CG-CB 3.7Å; F87-M212 HydrophobicContact CG-CG 3.6Å; F87-M212 HydrophobicContact CG-SD 4.25Å; F87-M212 HydrophobicContact CZ-CB 3.97Å; F87-M212 HydrophobicContact CZ-CG 4.28Å; T89-M212 HydrophobicContact CG2-CE 4.1Å; T89-M212 HydrophobicContact CG2-SD 3.76Å; I94-M212 HydrophobicContact CD1-CE 3.5Å; I94-M212 HydrophobicContact CG1-CE 4.27Å; S208-M212 WeakPolarHBondContact O-CB 3.29Å; S208-M212 WeakPolarHBondContact O-CG 3.35Å; S208-M212 PolarHBondContact O-N 3.27Å; T209-M212 PolarHBondContact O-N 3.44Å; M212-G214 VanDerWaalsContact C-N 3.35Å; M212-V215 PolarHBondContact O-N 3.06Å; M212-V215 HydrophobicContact SD-CG2 4.08Å; M212-G216 PolarHBondContact O-N 2.9Å; M212-K217 HydrophobicContact CB-CB 4.1Å; M212-K217 HydrophobicContact CB-CG 4.17Å; M212-K217 WeakPolarHBondContact O-CB 3.45Å; M212-K217 PolarHBondContact O-N 3.28Å; M212-K217 HydrophobicContact SD-CG 3.86Å
213V96.9Very high96.5Very high64 Ų6435.4 Ų35.439%0.38819%0.194SC..Hα-helixtrans-59.3-46.7167.8172.80000110.7T209 T211 V215 G216 V218T209-V213 WeakPolarHBondContact O-CG2 3.26Å; T209-V213 PolarHBondContact O-N 2.98Å; T211-V213 PolarHBondContact O-N 3.22Å; V213-V215 PolarHBondContact O-N 3.06Å; V213-G216 PolarHBondContact O-N 2.85Å; V213-V218 HydrophobicContact CG2-CB 3.97Å; V213-V218 HydrophobicContact CG2-CG1 4.31Å; V213-V218 HydrophobicContact CG2-CG2 3.76Å
214G95.8Very high96.1Very high20 Ų2035.4 Ų35.421%0.20619%0.194CC..Hα-helixtrans-66.1-21.1-178.400000115.3K59 I210 T211 M212K59-G214 WeakPolarHBondContact CE-O 3.36Å; K59-G214 PolarHBondContact NZ-O 2.92Å; I210-G214 PolarHBondContact O-N 2.96Å; T211-G214 CarbonylContact O-C 3.59Å; T211-G214 WeakPolarHBondContact O-CA 3.41Å; T211-G214 PolarHBondContact O-N 3.38Å; M212-G214 VanDerWaalsContact C-N 3.35Å
215V95.8Very high95.5Very high13 Ų1336.4 Ų36.48%0.07920%0.199CC..THydrogen-bonded Turntrans-103.79.8176.6-55.40000113.6I55 Y58 K59 T211 M212 V213 K217I55-V215 HydrophobicContact CG2-CG1 4.21Å; Y58-V215 HydrophobicContact CD1-CB 4.24Å; Y58-V215 HydrophobicContact CD1-CG1 3.77Å; Y58-V215 HydrophobicContact CD1-CG2 4.15Å; Y58-V215 HydrophobicContact CE1-CG2 4.18Å; Y58-V215 HydrophobicContact CG-CG1 4.19Å; K59-V215 HydrophobicContact CG-CG1 4.04Å; T211-V215 WeakPolarHBondContact O-CG2 3.4Å; T211-V215 PolarHBondContact O-N 3.07Å; M212-V215 PolarHBondContact O-N 3.06Å; M212-V215 HydrophobicContact SD-CG2 4.08Å; V213-V215 PolarHBondContact O-N 3.06Å; V215-K217 HydrophobicContact CG2-CG 4.07Å
216G95.2Very high94.6Very high2 Ų235.1 Ų35.12%0.02119%0.193CC..THydrogen-bonded Turntrans91.215168.500000116M212 V213 V218 K264M212-G216 PolarHBondContact O-N 2.9Å; V213-G216 PolarHBondContact O-N 2.85Å; G216-V218 PolarHBondContact O-N 2.82Å; G216-K264 WeakPolarHBondContact O-CE 3.37Å; G216-K264 PolarHBondContact O-NZ 2.95Å; G216-K264 VanDerWaalsContact O-NZ 3.12Å
217K95.4Very high93.5Very high23 Ų2337 Ų3710%0.120%0.199CC..  trans-78-4.9179-59-67.5-166.3158.30114.3F87 N88 M212 V215 I224 D225F87-K217 HydrophobicContact CB-CB 4.22Å; F87-K217 HydrophobicContact CB-CG 4.19Å; F87-K217 HydrophobicContact CD1-CB 4.03Å; F87-K217 VanDerWaalsContact O-CD 3.31Å; F87-K217 WeakPolarHBondContact O-CD 3.36Å; F87-K217 WeakPolarHBondContact O-CE 3.44Å; F87-K217 PolarHBondContact O-NZ 2.81Å; N88-K217 PolarHBondContact O-NZ 2.7Å; M212-K217 HydrophobicContact CB-CB 4.1Å; M212-K217 HydrophobicContact CB-CG 4.17Å; M212-K217 WeakPolarHBondContact O-CB 3.45Å; M212-K217 PolarHBondContact O-N 3.28Å; M212-K217 HydrophobicContact SD-CG 3.86Å; V215-K217 HydrophobicContact CG2-CG 4.07Å; K217-I224 WeakPolarHBondContact O-CG1 3.31Å; K217-I224 PolarHBondContact O-N 3.37Å; K217-D225 HydrophobicContact CB-CB 4.24Å; K217-D225 HydrophobicContact CD-CB 3.65Å; K217-D225 WeakPolarHBondContact CD-OD2 3.41Å; K217-D225 VanDerWaalsContact CE-OD2 3.3Å; K217-D225 WeakPolarHBondContact CE-OD2 3.49Å; K217-D225 IonicContact NZ-OD1 2.7Å; K217-D225 IonicContact NZ-OD2 2.85Å; K217-D225 PolarHBondContact NZ-OD2 3.28Å; K217-D225 PolarHBondContact O-N 3.06Å
218V95.7Very high92.8Very high32 Ų3238.5 Ų38.519%0.19421%0.211CC..EExtended strand (participates in β ladder)trans-132.7141.1-172.6179.20000110.8F87 V213 G216 D220 L222F87-V218 HydrophobicContact CE1-CG2 4.24Å; V213-V218 HydrophobicContact CG2-CB 3.97Å; V213-V218 HydrophobicContact CG2-CG1 4.31Å; V213-V218 HydrophobicContact CG2-CG2 3.76Å; G216-V218 PolarHBondContact O-N 2.82Å; V218-D220 WeakPolarHBondContact CG1-O 3.37Å; V218-L222 WeakPolarHBondContact CA-O 3.44Å; V218-L222 WeakPolarHBondContact CG1-O 3.5Å
219Y94.9Very high92Very high30 Ų3043.2 Ų43.212%0.11824%0.241CC..EExtended strand (participates in β ladder)trans-118.5123168.7-179.5-86.6000108.8N221 L222 I244 V290 K291 I294Y219-N221 PolarHBondContact O-N 3.37Å; Y219-L222 PolarHBondContact N-O 3.42Å; Y219-L222 WeakPolarHBondContact O-CA 3.34Å; Y219-L222 WeakPolarHBondContact O-CB 3.44Å; Y219-L222 PolarHBondContact O-N 3.28Å; Y219-I244 HydrophobicContact CD1-CD1 3.49Å; Y219-I244 VanDerWaalsContact CD1-CD1 3.49Å; Y219-I244 HydrophobicContact CD1-CG1 3.66Å; Y219-I244 HydrophobicContact CD1-CG2 4.12Å; Y219-I244 HydrophobicContact CE1-CB 4.22Å; Y219-I244 HydrophobicContact CE1-CD1 4.02Å; Y219-I244 HydrophobicContact CE1-CG1 3.73Å; Y219-I244 HydrophobicContact CE1-CG2 3.52Å; Y219-I244 HydrophobicContact CE2-CG2 4.3Å; Y219-I244 HydrophobicContact CG-CD1 3.92Å; Y219-V290 HydrophobicContact CD2-CB 3.93Å; Y219-V290 HydrophobicContact CD2-CG1 3.52Å; Y219-V290 HydrophobicContact CE2-CG1 3.86Å; Y219-K291 HydrophobicContact CD2-CG 3.74Å; Y219-K291 HydrophobicContact CE2-CD 4.35Å; Y219-K291 HydrophobicContact CE2-CG 3.41Å; Y219-K291 VanDerWaalsContact CE2-CG 3.41Å; Y219-I294 HydrophobicContact CE2-CD1 4.02Å
220D94.4Very high91.5Very high100 Ų10044 Ų4454%0.53524%0.243SC..THydrogen-bonded Turntrans53.4-109.4-168.5-74.2-44.9000111V218 K291V218-D220 WeakPolarHBondContact CG1-O 3.37Å; D220-K291 VanDerWaalsContact OD1-CE 3.32Å; D220-K291 WeakPolarHBondContact OD1-CE 3.33Å; D220-K291 IonicContact OD1-NZ 2.73Å; D220-K291 PolarHBondContact OD1-NZ 2.87Å; D220-K291 IonicContact OD2-NZ 2.69Å
221N93.3Very high91.2Very high142 Ų14246.5 Ų46.576%0.75925%0.252SS*.THydrogen-bonded Turntrans-11915.117361.5-1.2000111.9Y219Y219-N221 PolarHBondContact O-N 3.37Å
222L93.5Very high90.8Very high29 Ų2954.5 Ų54.515%0.15229%0.287CS..EExtended strand (participates in β ladder)trans-98.1131.4-178.7-58.4174.6000110.8V218 Y219 I224 I240 I244V218-L222 WeakPolarHBondContact CA-O 3.44Å; V218-L222 WeakPolarHBondContact CG1-O 3.5Å; Y219-L222 PolarHBondContact N-O 3.42Å; Y219-L222 WeakPolarHBondContact O-CA 3.34Å; Y219-L222 WeakPolarHBondContact O-CB 3.44Å; Y219-L222 PolarHBondContact O-N 3.28Å; L222-I224 HydrophobicContact CB-CG2 4.41Å; L222-I224 PolarHBondContact O-N 2.99Å; L222-I224 VanDerWaalsContact O-N 3.12Å; L222-I240 HydrophobicContact CB-CG2 4.32Å; L222-I240 HydrophobicContact CD1-CG2 4.3Å; L222-I244 HydrophobicContact CD1-CD1 3.98Å; L222-I244 HydrophobicContact CD1-CG1 3.71Å
223M90Very high90.3Very high33 Ų3355.9 Ų55.916%0.16330%0.295CS..EExtended strand (participates in β ladder)trans-74.994.4173.8177.7-172.5-66.100109.8T86 V226 I240T86-M223 HydrophobicContact CG2-CE 3.28Å; T86-M223 VanDerWaalsContact O-CE 3.27Å; T86-M223 WeakPolarHBondContact O-CE 3.3Å; T86-M223 WeakPolarHBondContact O-CG 2.91Å; M223-V226 HydrophobicContact CG-CB 4.23Å; M223-V226 HydrophobicContact SD-CB 4.23Å; M223-V226 HydrophobicContact SD-CG2 4.22Å; M223-I240 VanDerWaalsContact O-CD1 3.28Å; M223-I240 WeakPolarHBondContact O-CD1 3.36Å
224I91.4Very high90.1Very high1 Ų155 Ų551%0.00529%0.287CS..  trans-94.3-7.3-175.555.7167.7000113.6K217 L222 I240 I244 V263 K264 V290K217-I224 WeakPolarHBondContact O-CG1 3.31Å; K217-I224 PolarHBondContact O-N 3.37Å; L222-I224 HydrophobicContact CB-CG2 4.41Å; L222-I224 PolarHBondContact O-N 2.99Å; L222-I224 VanDerWaalsContact O-N 3.12Å; I224-I240 HydrophobicContact CG2-CG2 3.85Å; I224-I244 HydrophobicContact CG2-CD1 3.93Å; I224-V263 HydrophobicContact CB-CG1 4.11Å; I224-V263 HydrophobicContact CG2-CG1 4.28Å; I224-V263 WeakPolarHBondContact O-CB 3.07Å; I224-K264 HydrophobicContact CB-CG 4.4Å; I224-K264 HydrophobicContact CD1-CD 4.44Å; I224-K264 HydrophobicContact CD1-CG 3.87Å; I224-K264 HydrophobicContact CG1-CG 4.18Å; I224-V290 HydrophobicContact CD1-CB 4.08Å; I224-V290 HydrophobicContact CD1-CG2 3.44Å; I224-V290 VanDerWaalsContact CD1-CG2 3.44Å
225D85.9Confident90Very high21 Ų2156 Ų5611%0.11229%0.287CS..SBendtrans-112.563.9174.7-151.9-20.8000109.4F87 N88 K217 K264F87-D225 CarbonylContact C-O 3.06Å; F87-D225 WeakPolarHBondContact CA-O 3.4Å; N88-D225 WeakPolarHBondContact CB-O 3.4Å; N88-D225 WeakPolarHBondContact CB-OD1 3.37Å; N88-D225 PolarHBondContact N-O 3.42Å; N88-D225 PolarHBondContact ND2-OD1 3.04Å; K217-D225 HydrophobicContact CB-CB 4.24Å; K217-D225 HydrophobicContact CD-CB 3.65Å; K217-D225 WeakPolarHBondContact CD-OD2 3.41Å; K217-D225 VanDerWaalsContact CE-OD2 3.3Å; K217-D225 WeakPolarHBondContact CE-OD2 3.49Å; K217-D225 IonicContact NZ-OD1 2.7Å; K217-D225 IonicContact NZ-OD2 2.85Å; K217-D225 PolarHBondContact NZ-OD2 3.28Å; K217-D225 PolarHBondContact O-N 3.06Å; D225-K264 WeakPolarHBondContact OD2-CE 3.36Å; D225-K264 IonicContact OD2-NZ 3.48Å; D225-K264 PolarHBondContact OD2-NZ 3Å
226V79Confident89.8Confident12 Ų1260.7 Ų60.77%0.07330%0.304CS..  trans-99.9132.8-177.961.20000110M223 A228 L233 S237M223-V226 HydrophobicContact CG-CB 4.23Å; M223-V226 HydrophobicContact SD-CB 4.23Å; M223-V226 HydrophobicContact SD-CG2 4.22Å; V226-A228 PolarHBondContact O-N 3Å; V226-L233 HydrophobicContact CG2-CD2 4.11Å; V226-S237 VanDerWaalsContact CG1-OG 3.27Å; V226-S237 WeakPolarHBondContact CG1-OG 3.33Å
227K77.1Confident89.8Confident114 Ų11460.6 Ų60.650%0.49630%0.303SS..  trans-80.399.7172.5-163.2174.5-176.3167.40109.8N88 T229 L233N88-K227 HydrophobicContact CB-CB 4.31Å; N88-K227 WeakPolarHBondContact OD1-CB 3.33Å; K227-T229 HydrophobicContact CB-CG2 4.45Å; K227-T229 HydrophobicContact CD-CG2 4.15Å; K227-T229 HydrophobicContact CG-CG2 3.87Å; K227-T229 PolarHBondContact O-N 2.92Å; K227-L233 WeakPolarHBondContact O-CD1 3.33Å
228A82.9Confident89.8Confident31 Ų3159.5 Ų59.526%0.25630%0.298SS..  trans-73.785.5-179.100000112.3V226 L233 I234 Y256V226-A228 PolarHBondContact O-N 3Å; A228-L233 HydrophobicContact CB-CB 4.12Å; A228-I234 HydrophobicContact CB-CG1 3.93Å; A228-Y256 VanDerWaalsContact CB-OH 3.25Å; A228-Y256 WeakPolarHBondContact CB-OH 3.44Å
229T83Confident89.8Confident102 Ų10264.8 Ų64.863%0.62632%0.315SS*.  trans-92.1-5.1-177.757.90000114.6K227K227-T229 HydrophobicContact CB-CG2 4.45Å; K227-T229 HydrophobicContact CD-CG2 4.15Å; K227-T229 HydrophobicContact CG-CG2 3.87Å; K227-T229 PolarHBondContact O-N 2.92Å
230N87Confident89.9Confident74 Ų7463.7 Ų63.740%0.39631%0.311SS..SBendtrans-153.8167.3-178.960.264000110.9K232 L233 I234N230-K232 VanDerWaalsContact C-N 3.26Å; N230-K232 PolarHBondContact O-N 2.68Å; N230-K232 WeakPolarHBondContact OD1-CB 3.41Å; N230-K232 PolarHBondContact OD1-N 3.01Å; N230-K232 VanDerWaalsContact OD1-N 3.16Å; N230-L233 WeakPolarHBondContact ND2-CD1 3.23Å; N230-L233 PolarHBondContact O-N 3.1Å; N230-L233 WeakPolarHBondContact OD1-CG 3.24Å; N230-L233 PolarHBondContact OD1-N 3.46Å; N230-I234 PolarHBondContact O-N 3.33Å
231Q91.2Very high90Very high133 Ų13359 Ų5962%0.62129%0.285SS*.Hα-helixtrans-58.1-35.8-175.6-16859.746.700113.6L233 I234 D235Q231-L233 VanDerWaalsContact C-N 3.32Å; Q231-L233 PolarHBondContact O-N 3.05Å; Q231-I234 PolarHBondContact O-N 2.79Å; Q231-D235 WeakPolarHBondContact O-CB 3.45Å; Q231-D235 PolarHBondContact O-N 3.29Å
232K90.1Very high90.2Very high168 Ų16855.3 Ų55.373%0.7326%0.264SS*.Hα-helixtrans-63.2-39.5176.3171-171168.1-1740111.3N230 R236N230-K232 VanDerWaalsContact C-N 3.26Å; N230-K232 PolarHBondContact O-N 2.68Å; N230-K232 WeakPolarHBondContact OD1-CB 3.41Å; N230-K232 PolarHBondContact OD1-N 3.01Å; N230-K232 VanDerWaalsContact OD1-N 3.16Å; K232-R236 WeakPolarHBondContact O-CB 3.45Å; K232-R236 PolarHBondContact O-N 3.08Å
233L88.1Confident90.3Very high30 Ų3060.3 Ų60.316%0.15729%0.287CS..Hα-helixtrans-74.9-34.3178.3-64.7174.9000112.1V226 K227 A228 N230 Q231 R236 S237V226-L233 HydrophobicContact CG2-CD2 4.11Å; K227-L233 WeakPolarHBondContact O-CD1 3.33Å; A228-L233 HydrophobicContact CB-CB 4.12Å; N230-L233 WeakPolarHBondContact ND2-CD1 3.23Å; N230-L233 PolarHBondContact O-N 3.1Å; N230-L233 WeakPolarHBondContact OD1-CG 3.24Å; N230-L233 PolarHBondContact OD1-N 3.46Å; Q231-L233 VanDerWaalsContact C-N 3.32Å; Q231-L233 PolarHBondContact O-N 3.05Å; L233-R236 PolarHBondContact O-N 2.94Å; L233-S237 PolarHBondContact O-N 3.5Å; L233-S237 PolarHBondContact O-OG 3.34Å; L233-S237 VanDerWaalsContact O-OG 3.08Å
234I92.1Very high90.7Very high46 Ų4659.6 Ų59.624%0.23628%0.283CS..Hα-helixtrans-60.4-50.8171.1-66171.4000110.3A228 N230 Q231 R236 S237 V238 Y256A228-I234 HydrophobicContact CB-CG1 3.93Å; N230-I234 PolarHBondContact O-N 3.33Å; Q231-I234 PolarHBondContact O-N 2.79Å; I234-R236 VanDerWaalsContact C-N 3.27Å; I234-R236 PolarHBondContact O-N 2.73Å; I234-S237 WeakPolarHBondContact O-CB 3.44Å; I234-S237 PolarHBondContact O-N 2.97Å; I234-S237 VanDerWaalsContact O-N 3.1Å; I234-V238 WeakPolarHBondContact O-CG2 3.39Å; I234-V238 PolarHBondContact O-N 3.21Å; I234-Y256 HydrophobicContact CG2-CE1 3.92Å
235D93.8Very high90.9Very high39 Ų3960.4 Ų60.421%0.20929%0.288CS..Hα-helixtrans-59.5-40.2178.6-175.153.5000111.7Q231 V238 R239 Y249Q231-D235 WeakPolarHBondContact O-CB 3.45Å; Q231-D235 PolarHBondContact O-N 3.29Å; D235-V238 PolarHBondContact O-N 3.26Å; D235-R239 WeakPolarHBondContact O-CB 3.35Å; D235-R239 VanDerWaalsContact O-CG 3.3Å; D235-R239 WeakPolarHBondContact O-CG 3.28Å; D235-R239 PolarHBondContact O-N 2.87Å; D235-R239 IonicContact OD1-NE 2.86Å; D235-R239 IonicContact OD1-NH2 3.13Å; D235-R239 IonicContact OD2-CZ 3.91Å; D235-R239 IonicContact OD2-NE 3.6Å; D235-R239 PolarHBondContact OD2-NE 3.16Å; D235-R239 IonicContact OD2-NH2 2.77Å; D235-R239 PolarHBondContact OD2-NH2 3.35Å; D235-Y249 VanDerWaalsContact OD1-CE2 3.23Å; D235-Y249 WeakPolarHBondContact OD1-CE2 3.41Å; D235-Y249 PolarHBondContact OD1-OH 3.11Å
236R92.6Very high91.4Very high112 Ų11263.8 Ų63.842%0.42332%0.319SS..Hα-helixtrans-61.2-46173.7-175.2178.8-177177.61.8112.1K232 L233 I234 V238 R239 I240K232-R236 WeakPolarHBondContact O-CB 3.45Å; K232-R236 PolarHBondContact O-N 3.08Å; L233-R236 PolarHBondContact O-N 2.94Å; I234-R236 VanDerWaalsContact C-N 3.27Å; I234-R236 PolarHBondContact O-N 2.73Å; R236-V238 VanDerWaalsContact C-N 3.34Å; R236-V238 PolarHBondContact O-N 3.33Å; R236-R239 PolarHBondContact O-N 3.38Å; R236-I240 HydrophobicContact CG-CD1 4Å; R236-I240 VanDerWaalsContact O-CG1 3.28Å; R236-I240 WeakPolarHBondContact O-CG1 3.41Å; R236-I240 PolarHBondContact O-N 3.25Å
237S94Very high92.3Very high0 Ų065.3 Ų65.30%033%0.327CS..Hα-helixtrans-57.7-46.3177.8-68.80000111.9V226 L233 I234 I240 I241 V263V226-S237 VanDerWaalsContact CG1-OG 3.27Å; V226-S237 WeakPolarHBondContact CG1-OG 3.33Å; L233-S237 PolarHBondContact O-N 3.5Å; L233-S237 PolarHBondContact O-OG 3.34Å; L233-S237 VanDerWaalsContact O-OG 3.08Å; I234-S237 WeakPolarHBondContact O-CB 3.44Å; I234-S237 PolarHBondContact O-N 2.97Å; I234-S237 VanDerWaalsContact O-N 3.1Å; S237-I240 PolarHBondContact O-N 2.96Å; S237-I241 WeakPolarHBondContact O-CG1 3.48Å; S237-I241 PolarHBondContact O-N 2.84Å; S237-I241 VanDerWaalsContact O-N 3.14Å; S237-V263 VanDerWaalsContact CB-CG2 3.49Å
238V96.3Very high93.3Very high0 Ų063.3 Ų63.30%032%0.324CS..Hα-helixtrans-65.6-43.4179.3176.80000111.2I234 D235 R236 I240 I241 Q242 Y249 A252 M253 Y256I234-V238 WeakPolarHBondContact O-CG2 3.39Å; I234-V238 PolarHBondContact O-N 3.21Å; D235-V238 PolarHBondContact O-N 3.26Å; R236-V238 VanDerWaalsContact C-N 3.34Å; R236-V238 PolarHBondContact O-N 3.33Å; V238-I240 VanDerWaalsContact C-N 3.31Å; V238-I240 PolarHBondContact O-N 2.98Å; V238-I241 PolarHBondContact O-N 3.48Å; V238-Q242 WeakPolarHBondContact O-CB 3.37Å; V238-Q242 PolarHBondContact O-N 2.94Å; V238-Y249 HydrophobicContact CB-CE2 4.02Å; V238-Y249 HydrophobicContact CG1-CD1 4.22Å; V238-Y249 HydrophobicContact CG1-CD2 3.71Å; V238-Y249 HydrophobicContact CG1-CE1 4.04Å; V238-Y249 HydrophobicContact CG1-CE2 3.53Å; V238-Y249 HydrophobicContact CG1-CG 4.07Å; V238-A252 HydrophobicContact CG1-CB 3.79Å; V238-M253 HydrophobicContact CG1-CB 4.16Å; V238-M253 HydrophobicContact CG1-CE 4.42Å; V238-M253 HydrophobicContact CG2-CE 3.7Å; V238-M253 HydrophobicContact CG2-SD 3.82Å; V238-Y256 HydrophobicContact CG2-CD1 3.95Å; V238-Y256 HydrophobicContact CG2-CG 4.05Å
239R96.2Very high94Very high143 Ų14365.2 Ų65.254%0.5433%0.325SS..Hα-helixtrans-62.3-35.4175.2-71.6-179.4-163.8-150.96.7113.2D235 R236 Q242 E243 Y249D235-R239 WeakPolarHBondContact O-CB 3.35Å; D235-R239 VanDerWaalsContact O-CG 3.3Å; D235-R239 WeakPolarHBondContact O-CG 3.28Å; D235-R239 PolarHBondContact O-N 2.87Å; D235-R239 IonicContact OD1-NE 2.86Å; D235-R239 IonicContact OD1-NH2 3.13Å; D235-R239 IonicContact OD2-CZ 3.91Å; D235-R239 IonicContact OD2-NE 3.6Å; D235-R239 PolarHBondContact OD2-NE 3.16Å; D235-R239 IonicContact OD2-NH2 2.77Å; D235-R239 PolarHBondContact OD2-NH2 3.35Å; R236-R239 PolarHBondContact O-N 3.38Å; R239-Q242 WeakPolarHBondContact O-CB 3.2Å; R239-Q242 PolarHBondContact O-N 2.89Å; R239-E243 WeakPolarHBondContact O-CB 3.39Å; R239-E243 PolarHBondContact O-N 2.98Å; R239-Y249 HydrophobicContact CG-CE2 4.29Å
240I95.5Very high94.7Very high8 Ų866.4 Ų66.44%0.04133%0.328CS..Hα-helixtrans-63.8-45.9175.1-73.8169.9000110.4L222 M223 I224 R236 S237 V238 Q242 E243 I244 V263L222-I240 HydrophobicContact CB-CG2 4.32Å; L222-I240 HydrophobicContact CD1-CG2 4.3Å; M223-I240 VanDerWaalsContact O-CD1 3.28Å; M223-I240 WeakPolarHBondContact O-CD1 3.36Å; I224-I240 HydrophobicContact CG2-CG2 3.85Å; R236-I240 HydrophobicContact CG-CD1 4Å; R236-I240 VanDerWaalsContact O-CG1 3.28Å; R236-I240 WeakPolarHBondContact O-CG1 3.41Å; R236-I240 PolarHBondContact O-N 3.25Å; S237-I240 PolarHBondContact O-N 2.96Å; V238-I240 VanDerWaalsContact C-N 3.31Å; V238-I240 PolarHBondContact O-N 2.98Å; I240-Q242 VanDerWaalsContact C-N 3.32Å; I240-Q242 PolarHBondContact O-N 3.4Å; I240-E243 PolarHBondContact O-N 2.76Å; I240-I244 HydrophobicContact CG2-CD1 3.67Å; I240-I244 HydrophobicContact CG2-CG1 4.5Å; I240-I244 VanDerWaalsContact O-CG1 3.26Å; I240-I244 WeakPolarHBondContact O-CG1 3.21Å; I240-I244 PolarHBondContact O-N 3.27Å; I240-V263 HydrophobicContact CG2-CG1 3.98Å
241I97.1Very high95.3Very high0 Ų067.7 Ų67.70%033%0.332CS..Hα-helixtrans-61.6-44.8175.7-63.1159.3000109.9S237 V238 E243 I244 C245 I247 A252 L255 Y256 V263 A266S237-I241 WeakPolarHBondContact O-CG1 3.48Å; S237-I241 PolarHBondContact O-N 2.84Å; S237-I241 VanDerWaalsContact O-N 3.14Å; V238-I241 PolarHBondContact O-N 3.48Å; I241-E243 PolarHBondContact O-N 2.86Å; I241-I244 PolarHBondContact O-N 3.26Å; I241-C245 VanDerWaalsContact O-CB 3.27Å; I241-C245 WeakPolarHBondContact O-CB 2.91Å; I241-C245 PolarHBondContact O-N 3.01Å; I241-I247 HydrophobicContact CG2-CD1 4.31Å; I241-A252 HydrophobicContact CB-CB 4.09Å; I241-A252 HydrophobicContact CG2-CB 3.89Å; I241-L255 HydrophobicContact CG2-CB 4.4Å; I241-L255 HydrophobicContact CG2-CD1 4.08Å; I241-Y256 HydrophobicContact CD1-CD2 3.83Å; I241-Y256 HydrophobicContact CD1-CG 4.26Å; I241-V263 HydrophobicContact CD1-CG2 4.43Å; I241-V263 HydrophobicContact CG1-CG1 4.04Å; I241-A266 HydrophobicContact CD1-CB 3.52Å; I241-A266 HydrophobicContact CG1-CB 4.03Å
242Q97.6Very high95.6Very high65 Ų6561.4 Ų61.430%0.30430%0.302SS..Hα-helixtrans-55.6-48.5177.3-167.5-168.70.200111.9V238 R239 I240 A246 I247 A252V238-Q242 WeakPolarHBondContact O-CB 3.37Å; V238-Q242 PolarHBondContact O-N 2.94Å; R239-Q242 WeakPolarHBondContact O-CB 3.2Å; R239-Q242 PolarHBondContact O-N 2.89Å; I240-Q242 VanDerWaalsContact C-N 3.32Å; I240-Q242 PolarHBondContact O-N 3.4Å; Q242-A246 WeakPolarHBondContact O-CA 3.43Å; Q242-A246 PolarHBondContact O-N 3.35Å; Q242-I247 WeakPolarHBondContact CG-O 3.38Å; Q242-I247 PolarHBondContact O-N 3.05Å; Q242-A252 HydrophobicContact CB-CB 3.94Å
243E96.5Very high96Very high135 Ų13555.4 Ų55.463%0.63128%0.277SS*.Hα-helixtrans-66.8-44.9-179.1-176.5170.7-179.900111.8R239 I240 I241R239-E243 WeakPolarHBondContact O-CB 3.39Å; R239-E243 PolarHBondContact O-N 2.98Å; I240-E243 PolarHBondContact O-N 2.76Å; I241-E243 PolarHBondContact O-N 2.86Å
244I96.6Very high96.4Very high18 Ų1856.2 Ų56.29%0.09229%0.288CS..Hα-helixtrans-69.6-44.5-178.4-63.3167.7000111.3Y219 L222 I224 I240 I241 T267 M271Y219-I244 HydrophobicContact CD1-CD1 3.49Å; Y219-I244 VanDerWaalsContact CD1-CD1 3.49Å; Y219-I244 HydrophobicContact CD1-CG1 3.66Å; Y219-I244 HydrophobicContact CD1-CG2 4.12Å; Y219-I244 HydrophobicContact CE1-CB 4.22Å; Y219-I244 HydrophobicContact CE1-CD1 4.02Å; Y219-I244 HydrophobicContact CE1-CG1 3.73Å; Y219-I244 HydrophobicContact CE1-CG2 3.52Å; Y219-I244 HydrophobicContact CE2-CG2 4.3Å; Y219-I244 HydrophobicContact CG-CD1 3.92Å; L222-I244 HydrophobicContact CD1-CD1 3.98Å; L222-I244 HydrophobicContact CD1-CG1 3.71Å; I224-I244 HydrophobicContact CG2-CD1 3.93Å; I240-I244 HydrophobicContact CG2-CD1 3.67Å; I240-I244 HydrophobicContact CG2-CG1 4.5Å; I240-I244 VanDerWaalsContact O-CG1 3.26Å; I240-I244 WeakPolarHBondContact O-CG1 3.21Å; I240-I244 PolarHBondContact O-N 3.27Å; I241-I244 PolarHBondContact O-N 3.26Å; I244-T267 HydrophobicContact CB-CG2 4.13Å; I244-T267 HydrophobicContact CD1-CG2 4.04Å; I244-T267 HydrophobicContact CG2-CG2 3.45Å; I244-T267 VanDerWaalsContact CG2-CG2 3.45Å; I244-M271 HydrophobicContact CG2-CG 4.28Å; I244-M271 HydrophobicContact CG2-SD 4.29Å; I244-M271 VanDerWaalsContact O-SD 3.35Å
245C96.6Very high96.7Very high17 Ų1755.5 Ų55.512%0.11529%0.285CS..Hα-helixtrans-84.7-10.2-176.2-63.10000113.6I241 I247 M271I241-C245 VanDerWaalsContact O-CB 3.27Å; I241-C245 WeakPolarHBondContact O-CB 2.91Å; I241-C245 PolarHBondContact O-N 3.01Å; C245-I247 VanDerWaalsContact C-N 3.33Å; C245-I247 HydrophobicContact CB-CD1 3.76Å; C245-I247 HydrophobicContact CB-CG1 3.85Å; C245-I247 HydrophobicContact CB-CG2 4.1Å; C245-I247 PolarHBondContact O-N 3.02Å; C245-M271 HydrophobicContact CB-SD 4.37Å
246A96.8Very high96.9Very high92 Ų9254 Ų5476%0.7628%0.276SS*.THydrogen-bonded Turntrans53.447.4-175.200000113Q242Q242-A246 WeakPolarHBondContact O-CA 3.43Å; Q242-A246 PolarHBondContact O-N 3.35Å
247I97.9Very high97.1Very high44 Ų4454.4 Ų54.423%0.22628%0.283CS..  trans-117.4177.7-177.858.6-178.8000111.5I241 Q242 C245 E251 A252 L255I241-I247 HydrophobicContact CG2-CD1 4.31Å; Q242-I247 WeakPolarHBondContact CG-O 3.38Å; Q242-I247 PolarHBondContact O-N 3.05Å; C245-I247 VanDerWaalsContact C-N 3.33Å; C245-I247 HydrophobicContact CB-CD1 3.76Å; C245-I247 HydrophobicContact CB-CG1 3.85Å; C245-I247 HydrophobicContact CB-CG2 4.1Å; C245-I247 PolarHBondContact O-N 3.02Å; I247-E251 HydrophobicContact CB-CB 4.07Å; I247-E251 HydrophobicContact CD1-CB 3.97Å; I247-E251 HydrophobicContact CG1-CB 4.27Å; I247-A252 HydrophobicContact CD1-CB 3.94Å; I247-A252 HydrophobicContact CG1-CB 4.14Å; I247-L255 HydrophobicContact CD1-CD1 3.58Å
248T98Very high97.2Very high73 Ų7358.6 Ų58.645%0.44831%0.308SS..  trans-74.4161.9172.764.80000111.8D250 E251 A252T248-D250 VanDerWaalsContact C-N 3.28Å; T248-D250 PolarHBondContact O-N 2.97Å; T248-E251 WeakPolarHBondContact CB-OE2 3.4Å; T248-E251 WeakPolarHBondContact CG2-OE2 3.33Å; T248-E251 PolarHBondContact N-OE2 2.62Å; T248-E251 PolarHBondContact O-N 3.46Å; T248-E251 WeakPolarHBondContact OG1-CB 3.45Å; T248-E251 VanDerWaalsContact OG1-CD 3.25Å; T248-E251 VanDerWaalsContact OG1-CG 3.22Å; T248-E251 WeakPolarHBondContact OG1-CG 3.16Å; T248-E251 PolarHBondContact OG1-N 2.77Å; T248-E251 PolarHBondContact OG1-OE2 3.32Å; T248-A252 WeakPolarHBondContact O-CB 3.27Å; T248-A252 PolarHBondContact O-N 3.34Å
249Y97.9Very high97.2Very high70 Ų7058.7 Ų58.728%0.27531%0.309SS..Hα-helixtrans-60.1-39.6176-173-87.8000112.1D235 V238 R239 A252 M253D235-Y249 VanDerWaalsContact OD1-CE2 3.23Å; D235-Y249 WeakPolarHBondContact OD1-CE2 3.41Å; D235-Y249 PolarHBondContact OD1-OH 3.11Å; V238-Y249 HydrophobicContact CB-CE2 4.02Å; V238-Y249 HydrophobicContact CG1-CD1 4.22Å; V238-Y249 HydrophobicContact CG1-CD2 3.71Å; V238-Y249 HydrophobicContact CG1-CE1 4.04Å; V238-Y249 HydrophobicContact CG1-CE2 3.53Å; V238-Y249 HydrophobicContact CG1-CG 4.07Å; R239-Y249 HydrophobicContact CG-CE2 4.29Å; Y249-A252 PolarHBondContact O-N 3.24Å; Y249-M253 HydrophobicContact CE1-CE 3.74Å; Y249-M253 WeakPolarHBondContact O-CB 3.27Å; Y249-M253 PolarHBondContact O-N 3.26Å
250D97.8Very high97.2Very high128 Ų12858.4 Ų58.468%0.68431%0.314SS*.Hα-helixtrans-67.9-40.4-179.4-66.8-21.3000111.6T248 M253 A254T248-D250 VanDerWaalsContact C-N 3.28Å; T248-D250 PolarHBondContact O-N 2.97Å; D250-M253 PolarHBondContact O-N 3.13Å; D250-A254 WeakPolarHBondContact O-CB 3.5Å; D250-A254 PolarHBondContact O-N 2.93Å
251E98.1Very high97.1Very high101 Ų10163.6 Ų63.647%0.47234%0.337SS..Hα-helixtrans-64-42.5172.8-70.6165.113800111.5I247 T248 A254 L255I247-E251 HydrophobicContact CB-CB 4.07Å; I247-E251 HydrophobicContact CD1-CB 3.97Å; I247-E251 HydrophobicContact CG1-CB 4.27Å; T248-E251 WeakPolarHBondContact CB-OE2 3.4Å; T248-E251 WeakPolarHBondContact CG2-OE2 3.33Å; T248-E251 PolarHBondContact N-OE2 2.62Å; T248-E251 PolarHBondContact O-N 3.46Å; T248-E251 WeakPolarHBondContact OG1-CB 3.45Å; T248-E251 VanDerWaalsContact OG1-CD 3.25Å; T248-E251 VanDerWaalsContact OG1-CG 3.22Å; T248-E251 WeakPolarHBondContact OG1-CG 3.16Å; T248-E251 PolarHBondContact OG1-N 2.77Å; T248-E251 PolarHBondContact OG1-OE2 3.32Å; E251-A254 PolarHBondContact O-N 3.32Å; E251-L255 PolarHBondContact O-N 3.45Å
252A98.2Very high97Very high0 Ų066.8 Ų66.80%035%0.354CS..Hα-helixtrans-64.6-39.3176.100000112.3V238 I241 Q242 I247 T248 Y249 L255 Y256V238-A252 HydrophobicContact CG1-CB 3.79Å; I241-A252 HydrophobicContact CB-CB 4.09Å; I241-A252 HydrophobicContact CG2-CB 3.89Å; Q242-A252 HydrophobicContact CB-CB 3.94Å; I247-A252 HydrophobicContact CD1-CB 3.94Å; I247-A252 HydrophobicContact CG1-CB 4.14Å; T248-A252 WeakPolarHBondContact O-CB 3.27Å; T248-A252 PolarHBondContact O-N 3.34Å; Y249-A252 PolarHBondContact O-N 3.24Å; A252-L255 PolarHBondContact O-N 3.35Å; A252-Y256 WeakPolarHBondContact O-CB 3.39Å; A252-Y256 PolarHBondContact O-N 2.86Å
253M97.5Very high96.8Very high42 Ų4263.9 Ų63.921%0.20734%0.341CS..Hα-helixtrans-64.4-41.5174.8-178.364.476.400111V238 Y249 D250 Y256 Q257V238-M253 HydrophobicContact CG1-CB 4.16Å; V238-M253 HydrophobicContact CG1-CE 4.42Å; V238-M253 HydrophobicContact CG2-CE 3.7Å; V238-M253 HydrophobicContact CG2-SD 3.82Å; Y249-M253 HydrophobicContact CE1-CE 3.74Å; Y249-M253 WeakPolarHBondContact O-CB 3.27Å; Y249-M253 PolarHBondContact O-N 3.26Å; D250-M253 PolarHBondContact O-N 3.13Å; M253-Y256 WeakPolarHBondContact O-CB 3.38Å; M253-Y256 PolarHBondContact O-N 3.02Å; M253-Y256 HydrophobicContact SD-CD1 4.33Å; M253-Q257 WeakPolarHBondContact O-CG 3.48Å; M253-Q257 PolarHBondContact O-N 3.24Å
254A98Very high96.8Very high47 Ų4757.6 Ų57.639%0.38831%0.312SS..Hα-helixtrans-61.9-45.8175.400000111.4D250 E251 Y256 Q257 V258D250-A254 WeakPolarHBondContact O-CB 3.5Å; D250-A254 PolarHBondContact O-N 2.93Å; E251-A254 PolarHBondContact O-N 3.32Å; A254-Y256 VanDerWaalsContact C-N 3.33Å; A254-Y256 PolarHBondContact O-N 2.7Å; A254-Q257 PolarHBondContact O-N 2.94Å; A254-V258 VanDerWaalsContact O-CG2 3.31Å; A254-V258 WeakPolarHBondContact O-CG2 3.24Å; A254-V258 PolarHBondContact O-N 3.42Å
255L98.1Very high96.8Very high32 Ų3257 Ų5717%0.16831%0.309CS..Hα-helixtrans-60.3-42.9174.4-72.5173.7000112I241 I247 E251 A252 Q257 V258 S259 A266 M269I241-L255 HydrophobicContact CG2-CB 4.4Å; I241-L255 HydrophobicContact CG2-CD1 4.08Å; I247-L255 HydrophobicContact CD1-CD1 3.58Å; E251-L255 PolarHBondContact O-N 3.45Å; A252-L255 PolarHBondContact O-N 3.35Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.29Å; L255-V258 PolarHBondContact O-N 2.8Å; L255-S259 VanDerWaalsContact O-CB 3.3Å; L255-S259 WeakPolarHBondContact O-CB 3.48Å; L255-S259 PolarHBondContact O-N 2.92Å; L255-S259 PolarHBondContact O-OG 3.35Å; L255-A266 HydrophobicContact CB-CB 4.05Å; L255-M269 HydrophobicContact CD2-CB 3.98Å; L255-M269 HydrophobicContact CD2-CE 3.97Å
256Y97.1Very high96.8Very high7 Ų756.2 Ų56.23%0.02730%0.304CS..Hα-helixtrans-61.4-37.2177.2-175.4-113.4000112.6A228 I234 V238 I241 A252 M253 A254 S259 H261 V263A228-Y256 VanDerWaalsContact CB-OH 3.25Å; A228-Y256 WeakPolarHBondContact CB-OH 3.44Å; I234-Y256 HydrophobicContact CG2-CE1 3.92Å; V238-Y256 HydrophobicContact CG2-CD1 3.95Å; V238-Y256 HydrophobicContact CG2-CG 4.05Å; I241-Y256 HydrophobicContact CD1-CD2 3.83Å; I241-Y256 HydrophobicContact CD1-CG 4.26Å; A252-Y256 WeakPolarHBondContact O-CB 3.39Å; A252-Y256 PolarHBondContact O-N 2.86Å; M253-Y256 WeakPolarHBondContact O-CB 3.38Å; M253-Y256 PolarHBondContact O-N 3.02Å; M253-Y256 HydrophobicContact SD-CD1 4.33Å; A254-Y256 VanDerWaalsContact C-N 3.33Å; A254-Y256 PolarHBondContact O-N 2.7Å; Y256-S259 PolarHBondContact O-OG 2.89Å; Y256-S259 VanDerWaalsContact O-OG 3.13Å; Y256-H261 AromaticContact CD1-CD2 3.76Å; Y256-H261 HydrophobicContact CE1-CB 4.01Å; Y256-H261 AromaticContact CE1-CD2 3.43Å; Y256-H261 VanDerWaalsContact CE1-CD2 3.43Å; Y256-H261 WeakPolarHBondContact CE1-CD2 3.38Å; Y256-H261 AromaticContact CE1-CG 3.99Å; Y256-H261 VanDerWaalsContact CE2-CA 3.45Å; Y256-H261 HydrophobicContact CE2-CB 3.81Å; Y256-H261 WeakPolarHBondContact CE2-O 3.43Å; Y256-H261 AromaticContact CZ-CD2 3.92Å; Y256-H261 VanDerWaalsContact O-CA 3.25Å; Y256-H261 WeakPolarHBondContact O-CA 3.5Å; Y256-H261 PolarHBondContact O-N 3.15Å; Y256-V263 HydrophobicContact CD2-CG2 4.19Å; Y256-V263 HydrophobicContact CE2-CG2 3.9Å
257Q96.9Very high96.9Very high121 Ų12151.8 Ų51.857%0.56527%0.267SS*.Hα-helixtrans-71.9-46.5175.5-72.1174.1-12.800111.9M253 A254 L255 S259 E260M253-Q257 WeakPolarHBondContact O-CG 3.48Å; M253-Q257 PolarHBondContact O-N 3.24Å; A254-Q257 PolarHBondContact O-N 2.94Å; L255-Q257 VanDerWaalsContact C-N 3.3Å; L255-Q257 PolarHBondContact O-N 3.29Å; Q257-S259 VanDerWaalsContact C-N 3.26Å; Q257-S259 PolarHBondContact O-N 3.25Å; Q257-E260 PolarHBondContact O-N 2.9Å
258V97.5Very high96.8Very high87 Ų8749.7 Ų49.753%0.52726%0.257SS..Hα-helixtrans-65.2-32.7180177.70000111.4A254 L255 E260 M269 K276A254-V258 VanDerWaalsContact O-CG2 3.31Å; A254-V258 WeakPolarHBondContact O-CG2 3.24Å; A254-V258 PolarHBondContact O-N 3.42Å; L255-V258 PolarHBondContact O-N 2.8Å; V258-E260 PolarHBondContact O-N 3.05Å; V258-M269 HydrophobicContact CB-CE 3.95Å; V258-M269 HydrophobicContact CG1-CE 3.47Å; V258-M269 VanDerWaalsContact CG1-CE 3.47Å; V258-K276 WeakPolarHBondContact O-CD 3.46Å
259S96.6Very high96.8Very high2 Ų246.9 Ų46.91%0.01424%0.239CC..THydrogen-bonded Turntrans-76.54.4175.275.80000114.2L255 Y256 Q257 H261 D262 A266L255-S259 VanDerWaalsContact O-CB 3.3Å; L255-S259 WeakPolarHBondContact O-CB 3.48Å; L255-S259 PolarHBondContact O-N 2.92Å; L255-S259 PolarHBondContact O-OG 3.35Å; Y256-S259 PolarHBondContact O-OG 2.89Å; Y256-S259 VanDerWaalsContact O-OG 3.13Å; Q257-S259 VanDerWaalsContact C-N 3.26Å; Q257-S259 PolarHBondContact O-N 3.25Å; S259-H261 PolarHBondContact O-N 3.08Å; S259-D262 VanDerWaalsContact CB-O 3.26Å; S259-D262 WeakPolarHBondContact CB-O 3.46Å; S259-D262 WeakPolarHBondContact O-CB 3.25Å; S259-D262 PolarHBondContact O-N 2.93Å; S259-D262 PolarHBondContact OG-N 3.29Å; S259-D262 PolarHBondContact OG-O 3.2Å; S259-A266 WeakPolarHBondContact OG-CB 3.45Å
260E95.1Very high96.8Very high138 Ų13845 Ų4565%0.64524%0.24SC*.THydrogen-bonded Turntrans54.542.2-172.1-68.9168.8-160.700112.4Q257 V258 D262 K276Q257-E260 PolarHBondContact O-N 2.9Å; V258-E260 PolarHBondContact O-N 3.05Å; E260-D262 PolarHBondContact O-N 3.34Å; E260-K276 IonicContact OE1-NZ 3.5Å; E260-K276 PolarHBondContact OE1-NZ 3.14Å; E260-K276 IonicContact OE2-NZ 2.71Å; E260-K276 PolarHBondContact OE2-NZ 3.44Å
261H93.8Very high96.8Very high116 Ų11642.6 Ų42.654%0.53723%0.226SC..THydrogen-bonded Turntrans71.810.9177.8-44.1126000115.1Y256 S259 V263Y256-H261 AromaticContact CD1-CD2 3.76Å; Y256-H261 HydrophobicContact CE1-CB 4.01Å; Y256-H261 AromaticContact CE1-CD2 3.43Å; Y256-H261 VanDerWaalsContact CE1-CD2 3.43Å; Y256-H261 WeakPolarHBondContact CE1-CD2 3.38Å; Y256-H261 AromaticContact CE1-CG 3.99Å; Y256-H261 VanDerWaalsContact CE2-CA 3.45Å; Y256-H261 HydrophobicContact CE2-CB 3.81Å; Y256-H261 WeakPolarHBondContact CE2-O 3.43Å; Y256-H261 AromaticContact CZ-CD2 3.92Å; Y256-H261 VanDerWaalsContact O-CA 3.25Å; Y256-H261 WeakPolarHBondContact O-CA 3.5Å; Y256-H261 PolarHBondContact O-N 3.15Å; S259-H261 PolarHBondContact O-N 3.08Å; H261-V263 PolarHBondContact O-N 3.32Å
262D93.7Very high96.7Very high67 Ų6739.6 Ų39.636%0.35822%0.216SC..  trans-82.5111.9171.8-172.8-43.7000110.2S259 E260 K264 V265 A266S259-D262 VanDerWaalsContact CB-O 3.26Å; S259-D262 WeakPolarHBondContact CB-O 3.46Å; S259-D262 WeakPolarHBondContact O-CB 3.25Å; S259-D262 PolarHBondContact O-N 2.93Å; S259-D262 PolarHBondContact OG-N 3.29Å; S259-D262 PolarHBondContact OG-O 3.2Å; E260-D262 PolarHBondContact O-N 3.34Å; D262-K264 WeakPolarHBondContact OD1-CA 3.34Å; D262-K264 VanDerWaalsContact OD1-CB 3.31Å; D262-K264 WeakPolarHBondContact OD1-CB 3.46Å; D262-K264 PolarHBondContact OD1-N 3.31Å; D262-V265 HydrophobicContact CB-CB 3.97Å; D262-V265 HydrophobicContact CB-CG2 4Å; D262-V265 VanDerWaalsContact CG-CG2 3.48Å; D262-V265 PolarHBondContact OD1-N 3.31Å; D262-A266 VanDerWaalsContact O-CB 3.31Å; D262-A266 WeakPolarHBondContact O-CB 3.49Å; D262-A266 PolarHBondContact O-N 3.09Å
263V95Very high96.6Very high4 Ų443.1 Ų43.12%0.02425%0.252CS..Hα-helixtrans-68.5-33.7-178.3172.30000111.9I224 S237 I240 I241 Y256 H261 T267I224-V263 HydrophobicContact CB-CG1 4.11Å; I224-V263 HydrophobicContact CG2-CG1 4.28Å; I224-V263 WeakPolarHBondContact O-CB 3.07Å; S237-V263 VanDerWaalsContact CB-CG2 3.49Å; I240-V263 HydrophobicContact CG2-CG1 3.98Å; I241-V263 HydrophobicContact CD1-CG2 4.43Å; I241-V263 HydrophobicContact CG1-CG1 4.04Å; Y256-V263 HydrophobicContact CD2-CG2 4.19Å; Y256-V263 HydrophobicContact CE2-CG2 3.9Å; H261-V263 PolarHBondContact O-N 3.32Å; V263-T267 VanDerWaalsContact O-CB 3.25Å; V263-T267 WeakPolarHBondContact O-CB 3.38Å; V263-T267 PolarHBondContact O-N 3.35Å; V263-T267 PolarHBondContact O-OG1 2.95Å
264K95.7Very high96.6Very high3 Ų343 Ų431%0.01325%0.251CS..Hα-helixtrans-67.5-48.4178.1-63.4-179.4172167.70110.4G216 I224 D225 D262 T267 V268 L283 D288 V290G216-K264 WeakPolarHBondContact O-CE 3.37Å; G216-K264 PolarHBondContact O-NZ 2.95Å; G216-K264 VanDerWaalsContact O-NZ 3.12Å; I224-K264 HydrophobicContact CB-CG 4.4Å; I224-K264 HydrophobicContact CD1-CD 4.44Å; I224-K264 HydrophobicContact CD1-CG 3.87Å; I224-K264 HydrophobicContact CG1-CG 4.18Å; D225-K264 WeakPolarHBondContact OD2-CE 3.36Å; D225-K264 IonicContact OD2-NZ 3.48Å; D225-K264 PolarHBondContact OD2-NZ 3Å; D262-K264 WeakPolarHBondContact OD1-CA 3.34Å; D262-K264 VanDerWaalsContact OD1-CB 3.31Å; D262-K264 WeakPolarHBondContact OD1-CB 3.46Å; D262-K264 PolarHBondContact OD1-N 3.31Å; K264-T267 PolarHBondContact O-N 3.01Å; K264-V268 WeakPolarHBondContact O-CG2 3.35Å; K264-V268 PolarHBondContact O-N 2.98Å; K264-L283 HydrophobicContact CB-CD1 3.9Å; K264-L283 HydrophobicContact CB-CD2 4.34Å; K264-D288 IonicContact NZ-OD1 3.54Å; K264-D288 IonicContact NZ-OD2 3.94Å; K264-D288 PolarHBondContact NZ-OD2 3.01Å; K264-V290 HydrophobicContact CB-CG2 3.77Å; K264-V290 HydrophobicContact CD-CG2 4.42Å; K264-V290 HydrophobicContact CG-CG2 3.89Å
265V96.9Very high96.5Very high6 Ų643.5 Ų43.54%0.03625%0.252CS..Hα-helixtrans-62.4-48.3178.4175.20000109.8D262 T267 V268 M269 K276 A279 L283D262-V265 HydrophobicContact CB-CB 3.97Å; D262-V265 HydrophobicContact CB-CG2 4Å; D262-V265 VanDerWaalsContact CG-CG2 3.48Å; D262-V265 PolarHBondContact OD1-N 3.31Å; V265-T267 VanDerWaalsContact C-N 3.3Å; V265-T267 PolarHBondContact O-N 3.22Å; V265-V268 PolarHBondContact O-N 2.86Å; V265-M269 HydrophobicContact CG1-CG 4.31Å; V265-M269 HydrophobicContact CG1-SD 3.8Å; V265-M269 WeakPolarHBondContact O-CB 3.44Å; V265-M269 VanDerWaalsContact O-CG 3.24Å; V265-M269 WeakPolarHBondContact O-CG 3.45Å; V265-M269 PolarHBondContact O-N 2.83Å; V265-K276 HydrophobicContact CG1-CG 3.82Å; V265-A279 HydrophobicContact CG1-CB 4.06Å; V265-L283 HydrophobicContact CB-CD1 4.38Å; V265-L283 HydrophobicContact CG2-CD1 3.67Å
266A97.4Very high96.5Very high0 Ų044 Ų440%025%0.253CS..Hα-helixtrans-56.3-43.6175.500000112.4I241 L255 S259 D262 M269 G270I241-A266 HydrophobicContact CD1-CB 3.52Å; I241-A266 HydrophobicContact CG1-CB 4.03Å; L255-A266 HydrophobicContact CB-CB 4.05Å; S259-A266 WeakPolarHBondContact OG-CB 3.45Å; D262-A266 VanDerWaalsContact O-CB 3.31Å; D262-A266 WeakPolarHBondContact O-CB 3.49Å; D262-A266 PolarHBondContact O-N 3.09Å; A266-M269 PolarHBondContact O-N 2.92Å; A266-G270 PolarHBondContact O-N 3.03Å
267T97.2Very high96.5Very high0 Ų049.9 Ų49.90%028%0.281CS..Hα-helixtrans-62.5-45.6178.3-610000111.4I244 V263 K264 V265 G270 M271 V290I244-T267 HydrophobicContact CB-CG2 4.13Å; I244-T267 HydrophobicContact CD1-CG2 4.04Å; I244-T267 HydrophobicContact CG2-CG2 3.45Å; I244-T267 VanDerWaalsContact CG2-CG2 3.45Å; V263-T267 VanDerWaalsContact O-CB 3.25Å; V263-T267 WeakPolarHBondContact O-CB 3.38Å; V263-T267 PolarHBondContact O-N 3.35Å; V263-T267 PolarHBondContact O-OG1 2.95Å; K264-T267 PolarHBondContact O-N 3.01Å; V265-T267 VanDerWaalsContact C-N 3.3Å; V265-T267 PolarHBondContact O-N 3.22Å; T267-G270 PolarHBondContact O-N 3.25Å; T267-M271 HydrophobicContact CG2-CG 4.34Å; T267-M271 WeakPolarHBondContact O-CB 3.35Å; T267-M271 VanDerWaalsContact O-CG 3.23Å; T267-M271 WeakPolarHBondContact O-CG 3.46Å; T267-M271 PolarHBondContact O-N 3.46Å; T267-V290 HydrophobicContact CG2-CG1 3.78Å
268V97.5Very high96.5Very high0 Ų045.9 Ų45.90%026%0.262CS..Hα-helixtrans-67.1-40.3178.9173.40000111.1K264 V265 C272 I274 A279 L283 V290 A293 I294K264-V268 WeakPolarHBondContact O-CG2 3.35Å; K264-V268 PolarHBondContact O-N 2.98Å; V265-V268 PolarHBondContact O-N 2.86Å; V268-C272 VanDerWaalsContact O-CB 3.31Å; V268-C272 WeakPolarHBondContact O-CB 3.41Å; V268-C272 PolarHBondContact O-N 3.03Å; V268-C272 VanDerWaalsContact O-N 3.08Å; V268-I274 HydrophobicContact CG1-CD1 3.92Å; V268-A279 HydrophobicContact CB-CB 3.99Å; V268-A279 HydrophobicContact CG1-CB 3.69Å; V268-L283 HydrophobicContact CG2-CD1 4.23Å; V268-L283 HydrophobicContact CG2-CD2 3.98Å; V268-L283 HydrophobicContact CG2-CG 4.05Å; V268-V290 HydrophobicContact CG2-CB 4.49Å; V268-V290 HydrophobicContact CG2-CG1 3.98Å; V268-V290 HydrophobicContact CG2-CG2 4.42Å; V268-A293 HydrophobicContact CG1-CB 4.4Å; V268-A293 HydrophobicContact CG2-CB 3.94Å; V268-I294 HydrophobicContact CG2-CG1 4.27Å
269M97.9Very high96.5Very high14 Ų1441.8 Ų41.87%0.06924%0.237CC..Hα-helixtrans-58.4-51.5173.2-70.1167.158.800111.3L255 V258 V265 A266 M271 C272 G273 I274 K276 A279L255-M269 HydrophobicContact CD2-CB 3.98Å; L255-M269 HydrophobicContact CD2-CE 3.97Å; V258-M269 HydrophobicContact CB-CE 3.95Å; V258-M269 HydrophobicContact CG1-CE 3.47Å; V258-M269 VanDerWaalsContact CG1-CE 3.47Å; V265-M269 HydrophobicContact CG1-CG 4.31Å; V265-M269 HydrophobicContact CG1-SD 3.8Å; V265-M269 WeakPolarHBondContact O-CB 3.44Å; V265-M269 VanDerWaalsContact O-CG 3.24Å; V265-M269 WeakPolarHBondContact O-CG 3.45Å; V265-M269 PolarHBondContact O-N 2.83Å; A266-M269 PolarHBondContact O-N 2.92Å; M269-M271 PolarHBondContact O-N 3.44Å; M269-C272 PolarHBondContact O-N 2.91Å; M269-G273 WeakPolarHBondContact O-CA 3.38Å; M269-G273 PolarHBondContact O-N 3.45Å; M269-I274 PolarHBondContact O-N 2.9Å; M269-K276 HydrophobicContact SD-CB 4.01Å; M269-K276 HydrophobicContact SD-CG 4.42Å; M269-A279 HydrophobicContact CG-CB 3.62Å
270G97.3Very high96.5Very high30 Ų3044.8 Ų44.831%0.30926%0.255SS..Hα-helixtrans-63.8-41.3-178.400000113.2A266 T267A266-G270 PolarHBondContact O-N 3.03Å; T267-G270 PolarHBondContact O-N 3.25Å
271M97.2Very high96.6Very high77 Ų7742.4 Ų42.438%0.37924%0.241SC..Hα-helixtrans-73.2-25.6-179.9-71.3-59.9-63.200114.1I244 C245 T267 M269 I294I244-M271 HydrophobicContact CG2-CG 4.28Å; I244-M271 HydrophobicContact CG2-SD 4.29Å; I244-M271 VanDerWaalsContact O-SD 3.35Å; C245-M271 HydrophobicContact CB-SD 4.37Å; T267-M271 HydrophobicContact CG2-CG 4.34Å; T267-M271 WeakPolarHBondContact O-CB 3.35Å; T267-M271 VanDerWaalsContact O-CG 3.23Å; T267-M271 WeakPolarHBondContact O-CG 3.46Å; T267-M271 PolarHBondContact O-N 3.46Å; M269-M271 PolarHBondContact O-N 3.44Å; M271-I294 HydrophobicContact CB-CD1 3.88Å; M271-I294 HydrophobicContact CB-CG1 3.94Å; M271-I294 HydrophobicContact CB-CG2 4.22Å; M271-I294 HydrophobicContact CG-CD1 3.78Å; M271-I294 HydrophobicContact CG-CG1 4.39Å
272C96.3Very high96.8Very high39 Ų3938.1 Ų38.126%0.26422%0.22SC..Hα-helixtrans-113.4-11.5-174.5-64.60000114.5V268 M269 I274V268-C272 VanDerWaalsContact O-CB 3.31Å; V268-C272 WeakPolarHBondContact O-CB 3.41Å; V268-C272 PolarHBondContact O-N 3.03Å; V268-C272 VanDerWaalsContact O-N 3.08Å; M269-C272 PolarHBondContact O-N 2.91Å; C272-I274 HydrophobicContact CB-CD1 3.74Å; C272-I274 HydrophobicContact CB-CG1 3.79Å; C272-I274 HydrophobicContact CB-CG2 4.09Å
273G95.9Very high96.9Very high73 Ų7335.2 Ų35.275%0.75320%0.204SC*.THydrogen-bonded Turntrans64.338.5-175.900000113.3M269M269-G273 WeakPolarHBondContact O-CA 3.38Å; M269-G273 PolarHBondContact O-N 3.45Å
274I96.8Very high96.8Very high39 Ų3941.7 Ų41.720%0.224%0.238CC..  trans-118165.9-173.657.8179.4000112.2V268 M269 C272 E278 A279V268-I274 HydrophobicContact CG1-CD1 3.92Å; M269-I274 PolarHBondContact O-N 2.9Å; C272-I274 HydrophobicContact CB-CD1 3.74Å; C272-I274 HydrophobicContact CB-CG1 3.79Å; C272-I274 HydrophobicContact CB-CG2 4.09Å; I274-E278 HydrophobicContact CB-CB 4.22Å; I274-E278 HydrophobicContact CB-CG 3.96Å; I274-E278 HydrophobicContact CD1-CB 4.34Å; I274-E278 HydrophobicContact CD1-CG 3.77Å; I274-E278 HydrophobicContact CG1-CG 4.33Å; I274-E278 HydrophobicContact CG2-CG 4.22Å; I274-A279 HydrophobicContact CD1-CB 4.1Å; I274-A279 HydrophobicContact CG1-CB 4.31Å
275S97.1Very high96.8Very high58 Ų5846 Ų4641%0.40626%0.261SS..  trans-70.1163.8177.186.30000112.5E277 E278 A279S275-E277 VanDerWaalsContact C-N 3.29Å; S275-E277 VanDerWaalsContact CB-OE2 3.23Å; S275-E277 WeakPolarHBondContact CB-OE2 3.42Å; S275-E277 PolarHBondContact O-N 2.92Å; S275-E277 PolarHBondContact OG-N 2.91Å; S275-E277 PolarHBondContact OG-OE2 2.96Å; S275-E278 PolarHBondContact O-N 3.45Å; S275-E278 PolarHBondContact OG-N 3.27Å; S275-A279 WeakPolarHBondContact O-CB 3.47Å; S275-A279 PolarHBondContact O-N 3.4Å
276K97.5Very high96.7Very high43 Ų4347.3 Ų47.319%0.18727%0.268CS..Hα-helixtrans-56.8-43.1174.6-175.2-160.5-179.4-161.20111.6V258 E260 V265 M269 A279 T280V258-K276 WeakPolarHBondContact O-CD 3.46Å; E260-K276 IonicContact OE1-NZ 3.5Å; E260-K276 PolarHBondContact OE1-NZ 3.14Å; E260-K276 IonicContact OE2-NZ 2.71Å; E260-K276 PolarHBondContact OE2-NZ 3.44Å; V265-K276 HydrophobicContact CG1-CG 3.82Å; M269-K276 HydrophobicContact SD-CB 4.01Å; M269-K276 HydrophobicContact SD-CG 4.42Å; K276-A279 PolarHBondContact O-N 3.49Å; K276-T280 WeakPolarHBondContact O-CB 3.47Å; K276-T280 PolarHBondContact O-N 2.83Å; K276-T280 PolarHBondContact O-OG1 3.33Å
277E97.3Very high96.5Very high130 Ų13049.3 Ų49.361%0.60729%0.288SS*.Hα-helixtrans-63.8-45.3-178.5-58.969.3-146.700110.6S275 T280 R281S275-E277 VanDerWaalsContact C-N 3.29Å; S275-E277 VanDerWaalsContact CB-OE2 3.23Å; S275-E277 WeakPolarHBondContact CB-OE2 3.42Å; S275-E277 PolarHBondContact O-N 2.92Å; S275-E277 PolarHBondContact OG-N 2.91Å; S275-E277 PolarHBondContact OG-OE2 2.96Å; E277-T280 PolarHBondContact O-N 2.73Å; E277-R281 WeakPolarHBondContact O-CB 3.37Å; E277-R281 PolarHBondContact O-N 3.25Å
278E97.2Very high96.3Very high38 Ų3851.9 Ų51.918%0.17830%0.302CS..Hα-helixtrans-66.9-42.5178.1177.957.6-168.500111.6I274 S275 R281 R282I274-E278 HydrophobicContact CB-CB 4.22Å; I274-E278 HydrophobicContact CB-CG 3.96Å; I274-E278 HydrophobicContact CD1-CB 4.34Å; I274-E278 HydrophobicContact CD1-CG 3.77Å; I274-E278 HydrophobicContact CG1-CG 4.33Å; I274-E278 HydrophobicContact CG2-CG 4.22Å; S275-E278 PolarHBondContact O-N 3.45Å; S275-E278 PolarHBondContact OG-N 3.27Å; E278-R281 PolarHBondContact O-N 3.11Å; E278-R281 IonicContact OE1-CZ 3.16Å; E278-R281 IonicContact OE1-NH2 2.73Å; E278-R281 PolarHBondContact OE1-NH2 2.86Å; E278-R281 IonicContact OE2-CZ 2.81Å; E278-R281 IonicContact OE2-NE 3.11Å; E278-R281 PolarHBondContact OE2-NE 2.69Å; E278-R281 IonicContact OE2-NH2 3.75Å; E278-R281 PolarHBondContact OE2-NH2 2.94Å; E278-R282 WeakPolarHBondContact O-CG 3.22Å; E278-R282 PolarHBondContact O-N 3.29Å; E278-R282 IonicContact OE1-CZ 2.79Å; E278-R282 IonicContact OE1-NE 2.76Å; E278-R282 PolarHBondContact OE1-NE 3.21Å; E278-R282 IonicContact OE1-NH2 2.75Å; E278-R282 PolarHBondContact OE1-NH2 3.18Å; E278-R282 VanDerWaalsContact OE1-NH2 3.11Å
279A97.5Very high96.2Very high0 Ų053.4 Ų53.40%031%0.31CS..Hα-helixtrans-61.2-45.4175.700000112V265 V268 M269 I274 S275 K276 R281 R282 L283V265-A279 HydrophobicContact CG1-CB 4.06Å; V268-A279 HydrophobicContact CB-CB 3.99Å; V268-A279 HydrophobicContact CG1-CB 3.69Å; M269-A279 HydrophobicContact CG-CB 3.62Å; I274-A279 HydrophobicContact CD1-CB 4.1Å; I274-A279 HydrophobicContact CG1-CB 4.31Å; S275-A279 WeakPolarHBondContact O-CB 3.47Å; S275-A279 PolarHBondContact O-N 3.4Å; K276-A279 PolarHBondContact O-N 3.49Å; A279-R281 VanDerWaalsContact C-N 3.35Å; A279-R281 PolarHBondContact O-N 3.01Å; A279-R282 PolarHBondContact O-N 3.39Å; A279-L283 WeakPolarHBondContact O-CG 3.35Å; A279-L283 PolarHBondContact O-N 3.47Å
280T96.8Very high96.1Very high65 Ų6552.9 Ų52.940%0.39931%0.308SS..Hα-helixtrans-60.4-45176.6-56.60000111K276 E277 L283 L284K276-T280 WeakPolarHBondContact O-CB 3.47Å; K276-T280 PolarHBondContact O-N 2.83Å; K276-T280 PolarHBondContact O-OG1 3.33Å; E277-T280 PolarHBondContact O-N 2.73Å; T280-L283 PolarHBondContact O-N 2.95Å; T280-L284 PolarHBondContact O-N 3.06Å
281R97Very high96Very high88 Ų8855.1 Ų55.133%0.33231%0.309SS..Hα-helixtrans-62.2-44.7177.4-172-176.670.188.8-4.7112E277 E278 A279 L283 L284 N285E277-R281 WeakPolarHBondContact O-CB 3.37Å; E277-R281 PolarHBondContact O-N 3.25Å; E278-R281 PolarHBondContact O-N 3.11Å; E278-R281 IonicContact OE1-CZ 3.16Å; E278-R281 IonicContact OE1-NH2 2.73Å; E278-R281 PolarHBondContact OE1-NH2 2.86Å; E278-R281 IonicContact OE2-CZ 2.81Å; E278-R281 IonicContact OE2-NE 3.11Å; E278-R281 PolarHBondContact OE2-NE 2.69Å; E278-R281 IonicContact OE2-NH2 3.75Å; E278-R281 PolarHBondContact OE2-NH2 2.94Å; A279-R281 VanDerWaalsContact C-N 3.35Å; A279-R281 PolarHBondContact O-N 3.01Å; R281-L283 VanDerWaalsContact C-N 3.35Å; R281-L283 PolarHBondContact O-N 3.25Å; R281-L284 PolarHBondContact O-N 3.36Å; R281-N285 WeakPolarHBondContact O-CB 3.4Å; R281-N285 VanDerWaalsContact O-CG 3.29Å; R281-N285 PolarHBondContact O-N 2.75Å
282R96.9Very high96Very high26 Ų2657.9 Ų57.910%0.09832%0.315CS..Hα-helixtrans-62.6-41.2176.3-72.2-174.4-169.2-166.62.1111.7E278 A279 N285 N286 A293 D296E278-R282 WeakPolarHBondContact O-CG 3.22Å; E278-R282 PolarHBondContact O-N 3.29Å; E278-R282 IonicContact OE1-CZ 2.79Å; E278-R282 IonicContact OE1-NE 2.76Å; E278-R282 PolarHBondContact OE1-NE 3.21Å; E278-R282 IonicContact OE1-NH2 2.75Å; E278-R282 PolarHBondContact OE1-NH2 3.18Å; E278-R282 VanDerWaalsContact OE1-NH2 3.11Å; A279-R282 PolarHBondContact O-N 3.39Å; R282-N285 PolarHBondContact O-N 3.45Å; R282-N286 VanDerWaalsContact O-CB 3.28Å; R282-N286 WeakPolarHBondContact O-CB 3.38Å; R282-N286 PolarHBondContact O-N 3.39Å; R282-N286 VanDerWaalsContact O-N 3.11Å; R282-N286 PolarHBondContact O-ND2 2.76Å; R282-A293 HydrophobicContact CB-CB 3.95Å; R282-A293 WeakPolarHBondContact CD-O 3.36Å; R282-D296 PolarHBondContact NE-O 3.31Å; R282-D296 PolarHBondContact NH1-O 3.07Å
283L95.8Very high96Very high6 Ų656 Ų563%0.03130%0.302CS..Hα-helixtrans-59.9-50.6175.1-77.2164.4000111.3K264 V265 V268 A279 T280 R281 N285 N286 G287 D288 V290 A293K264-L283 HydrophobicContact CB-CD1 3.9Å; K264-L283 HydrophobicContact CB-CD2 4.34Å; V265-L283 HydrophobicContact CB-CD1 4.38Å; V265-L283 HydrophobicContact CG2-CD1 3.67Å; V268-L283 HydrophobicContact CG2-CD1 4.23Å; V268-L283 HydrophobicContact CG2-CD2 3.98Å; V268-L283 HydrophobicContact CG2-CG 4.05Å; A279-L283 WeakPolarHBondContact O-CG 3.35Å; A279-L283 PolarHBondContact O-N 3.47Å; T280-L283 PolarHBondContact O-N 2.95Å; R281-L283 VanDerWaalsContact C-N 3.35Å; R281-L283 PolarHBondContact O-N 3.25Å; L283-N285 PolarHBondContact O-N 2.89Å; L283-N286 CarbonylContact O-C 3.57Å; L283-N286 PolarHBondContact O-N 2.73Å; L283-N286 VanDerWaalsContact O-N 3.1Å; L283-G287 PolarHBondContact O-N 3.22Å; L283-D288 WeakPolarHBondContact O-CA 3.25Å; L283-D288 PolarHBondContact O-N 3.31Å; L283-V290 HydrophobicContact CD2-CG2 3.83Å; L283-A293 HydrophobicContact CD2-CB 3.89Å; L283-A293 HydrophobicContact CG-CB 4.11Å
284L94.5Very high96Very high140 Ų14054.1 Ų54.173%0.73328%0.275SS*.Hα-helixtrans-56.3-48.2178.6-175.965.2000111.9T280 R281 N286 G287T280-L284 PolarHBondContact O-N 3.06Å; R281-L284 PolarHBondContact O-N 3.36Å; L284-N286 PolarHBondContact O-N 3.02Å; L284-G287 PolarHBondContact O-N 3.47Å
285N95.4Very high95.9Very high94 Ų9461.6 Ų61.650%0.50330%0.301SS..Hα-helixtrans-65.9-23.5-179.3-71.9-12.1000113.5R281 R282 L283R281-N285 WeakPolarHBondContact O-CB 3.4Å; R281-N285 VanDerWaalsContact O-CG 3.29Å; R281-N285 PolarHBondContact O-N 2.75Å; R282-N285 PolarHBondContact O-N 3.45Å; L283-N285 PolarHBondContact O-N 2.89Å
286N95.2Very high95.6Very high33 Ų3360.3 Ų60.318%0.17629%0.289CS..THydrogen-bonded Turntrans-105.818.1-175.1-73.7-82.9000113.5R282 L283 L284 D288 I289 R292 A293 D296R282-N286 VanDerWaalsContact O-CB 3.28Å; R282-N286 WeakPolarHBondContact O-CB 3.38Å; R282-N286 PolarHBondContact O-N 3.39Å; R282-N286 VanDerWaalsContact O-N 3.11Å; R282-N286 PolarHBondContact O-ND2 2.76Å; L283-N286 CarbonylContact O-C 3.57Å; L283-N286 PolarHBondContact O-N 2.73Å; L283-N286 VanDerWaalsContact O-N 3.1Å; L284-N286 PolarHBondContact O-N 3.02Å; N286-D288 VanDerWaalsContact C-N 3.28Å; N286-D288 PolarHBondContact O-N 2.97Å; N286-I289 PolarHBondContact O-N 3.17Å; N286-R292 HydrophobicContact CB-CB 3.68Å; N286-A293 HydrophobicContact CB-CB 4.45Å; N286-D296 WeakPolarHBondContact ND2-CB 3.48Å; N286-D296 PolarHBondContact ND2-OD2 2.8Å
287G91.4Very high94.5Very high42 Ų4269 Ų6943%0.43332%0.321SS..THydrogen-bonded Turntrans64.435.8178.300000112.5L283 L284 I289L283-G287 PolarHBondContact O-N 3.22Å; L284-G287 PolarHBondContact O-N 3.47Å; G287-I289 PolarHBondContact O-N 3.25Å
288D93.6Very high92.9Very high54 Ų5466 Ų6629%0.28931%0.307SS..THydrogen-bonded Turntrans61.819.5177.9-158.333.5000115K264 L283 N286 V290K264-D288 IonicContact NZ-OD1 3.54Å; K264-D288 IonicContact NZ-OD2 3.94Å; K264-D288 PolarHBondContact NZ-OD2 3.01Å; L283-D288 WeakPolarHBondContact O-CA 3.25Å; L283-D288 PolarHBondContact O-N 3.31Å; N286-D288 VanDerWaalsContact C-N 3.28Å; N286-D288 PolarHBondContact O-N 2.97Å; D288-V290 PolarHBondContact O-N 3.01Å
289I95.5Very high90.7Very high33 Ų3373.5 Ų73.517%0.16936%0.359CS..  trans-91.9105.4177-63165.2000109N286 G287 K291 R292 A293N286-I289 PolarHBondContact O-N 3.17Å; G287-I289 PolarHBondContact O-N 3.25Å; I289-K291 VanDerWaalsContact C-N 3.33Å; I289-K291 PolarHBondContact O-N 3.19Å; I289-R292 HydrophobicContact CB-CB 4.23Å; I289-R292 HydrophobicContact CB-CG 4.1Å; I289-R292 HydrophobicContact CG2-CB 4.21Å; I289-R292 HydrophobicContact CG2-CG 3.8Å; I289-R292 WeakPolarHBondContact O-CA 3.24Å; I289-R292 WeakPolarHBondContact O-CB 3.34Å; I289-R292 PolarHBondContact O-N 3.48Å; I289-A293 PolarHBondContact O-N 3.42Å
290V96Very high90.4Very high3 Ų377.2 Ų77.22%0.01838%0.377CS..Hα-helixtrans-49.7-46.8-178.3170.10000113Y219 I224 K264 T267 V268 L283 D288 R292 A293 I294Y219-V290 HydrophobicContact CD2-CB 3.93Å; Y219-V290 HydrophobicContact CD2-CG1 3.52Å; Y219-V290 HydrophobicContact CE2-CG1 3.86Å; I224-V290 HydrophobicContact CD1-CB 4.08Å; I224-V290 HydrophobicContact CD1-CG2 3.44Å; I224-V290 VanDerWaalsContact CD1-CG2 3.44Å; K264-V290 HydrophobicContact CB-CG2 3.77Å; K264-V290 HydrophobicContact CD-CG2 4.42Å; K264-V290 HydrophobicContact CG-CG2 3.89Å; T267-V290 HydrophobicContact CG2-CG1 3.78Å; V268-V290 HydrophobicContact CG2-CB 4.49Å; V268-V290 HydrophobicContact CG2-CG1 3.98Å; V268-V290 HydrophobicContact CG2-CG2 4.42Å; L283-V290 HydrophobicContact CD2-CG2 3.83Å; D288-V290 PolarHBondContact O-N 3.01Å; V290-R292 PolarHBondContact O-N 3.16Å; V290-A293 PolarHBondContact O-N 2.79Å; V290-A293 VanDerWaalsContact O-N 3.16Å; V290-I294 HydrophobicContact CG1-CD1 3.64Å; V290-I294 HydrophobicContact CG1-CG1 4.27Å; V290-I294 WeakPolarHBondContact O-CG1 3.39Å; V290-I294 PolarHBondContact O-N 3.31Å
291K95.8Very high90.1Very high76 Ų7677.8 Ų77.833%0.3338%0.376SS..Hα-helixtrans-60.5-30.9178.3-76.2-172.5174.5-175.80113.9Y219 D220 I289 R295Y219-K291 HydrophobicContact CD2-CG 3.74Å; Y219-K291 HydrophobicContact CE2-CD 4.35Å; Y219-K291 HydrophobicContact CE2-CG 3.41Å; Y219-K291 VanDerWaalsContact CE2-CG 3.41Å; D220-K291 VanDerWaalsContact OD1-CE 3.32Å; D220-K291 WeakPolarHBondContact OD1-CE 3.33Å; D220-K291 IonicContact OD1-NZ 2.73Å; D220-K291 PolarHBondContact OD1-NZ 2.87Å; D220-K291 IonicContact OD2-NZ 2.69Å; I289-K291 VanDerWaalsContact C-N 3.33Å; I289-K291 PolarHBondContact O-N 3.19Å; K291-R295 WeakPolarHBondContact O-CD 3.45Å; K291-R295 VanDerWaalsContact O-CG 3.26Å; K291-R295 WeakPolarHBondContact O-CG 3.46Å; K291-R295 PolarHBondContact O-N 3.32Å
292R96.3Very high89.7Confident135 Ų13577.3 Ų77.351%0.50938%0.378SS..Hα-helixtrans-77.4-44.4176.1-68.4-178.2-175.1-177.1-3.4110N286 I289 V290 I294 R295 D296N286-R292 HydrophobicContact CB-CB 3.68Å; I289-R292 HydrophobicContact CB-CB 4.23Å; I289-R292 HydrophobicContact CB-CG 4.1Å; I289-R292 HydrophobicContact CG2-CB 4.21Å; I289-R292 HydrophobicContact CG2-CG 3.8Å; I289-R292 WeakPolarHBondContact O-CA 3.24Å; I289-R292 WeakPolarHBondContact O-CB 3.34Å; I289-R292 PolarHBondContact O-N 3.48Å; V290-R292 PolarHBondContact O-N 3.16Å; R292-I294 VanDerWaalsContact C-N 3.3Å; R292-I294 PolarHBondContact O-N 3.13Å; R292-R295 CarbonylContact O-C 3.53Å; R292-R295 PolarHBondContact O-N 3.48Å; R292-D296 PolarHBondContact O-N 3.18Å
293A96.6Very high89.3Confident0 Ų080.3 Ų80.30%039%0.394CS..Hα-helixtrans-57.7-39.3175.300000113V268 R282 L283 N286 I289 V290 R295 D296V268-A293 HydrophobicContact CG1-CB 4.4Å; V268-A293 HydrophobicContact CG2-CB 3.94Å; R282-A293 HydrophobicContact CB-CB 3.95Å; R282-A293 WeakPolarHBondContact CD-O 3.36Å; L283-A293 HydrophobicContact CD2-CB 3.89Å; L283-A293 HydrophobicContact CG-CB 4.11Å; N286-A293 HydrophobicContact CB-CB 4.45Å; I289-A293 PolarHBondContact O-N 3.42Å; V290-A293 PolarHBondContact O-N 2.79Å; V290-A293 VanDerWaalsContact O-N 3.16Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.43Å; A293-D296 PolarHBondContact O-N 3.46Å
294I96Very high88.8Confident34 Ų3484.9 Ų84.917%0.17442%0.417CS..Hα-helixtrans-65.2-35.9174.9-67.6165.5000111.9Y219 V268 M271 V290 R292Y219-I294 HydrophobicContact CE2-CD1 4.02Å; V268-I294 HydrophobicContact CG2-CG1 4.27Å; M271-I294 HydrophobicContact CB-CD1 3.88Å; M271-I294 HydrophobicContact CB-CG1 3.94Å; M271-I294 HydrophobicContact CB-CG2 4.22Å; M271-I294 HydrophobicContact CG-CD1 3.78Å; M271-I294 HydrophobicContact CG-CG1 4.39Å; V290-I294 HydrophobicContact CG1-CD1 3.64Å; V290-I294 HydrophobicContact CG1-CG1 4.27Å; V290-I294 WeakPolarHBondContact O-CG1 3.39Å; V290-I294 PolarHBondContact O-N 3.31Å; R292-I294 VanDerWaalsContact C-N 3.3Å; R292-I294 PolarHBondContact O-N 3.13Å
295R94.8Very high88.5Confident196 Ų19681.3 Ų81.374%0.7440%0.396SS*.Hα-helixtrans-81.1-19-179.5-70.6173.1-176.3-177.30.1113.3K291 R292 A293 R297K291-R295 WeakPolarHBondContact O-CD 3.45Å; K291-R295 VanDerWaalsContact O-CG 3.26Å; K291-R295 WeakPolarHBondContact O-CG 3.46Å; K291-R295 PolarHBondContact O-N 3.32Å; R292-R295 CarbonylContact O-C 3.53Å; R292-R295 PolarHBondContact O-N 3.48Å; A293-R295 VanDerWaalsContact C-N 3.33Å; A293-R295 PolarHBondContact O-N 3.43Å; R295-R297 VanDerWaalsContact C-N 3.25Å; R295-R297 PolarHBondContact O-N 2.95Å
296D89.8Confident88Confident31 Ų3180.4 Ų80.417%0.16639%0.389CS..  trans-70.681.7177.4-171.37.9000109.9R282 N286 R292 A293 Q298R282-D296 PolarHBondContact NE-O 3.31Å; R282-D296 PolarHBondContact NH1-O 3.07Å; N286-D296 WeakPolarHBondContact ND2-CB 3.48Å; N286-D296 PolarHBondContact ND2-OD2 2.8Å; R292-D296 PolarHBondContact O-N 3.18Å; A293-D296 PolarHBondContact O-N 3.46Å; D296-Q298 PolarHBondContact O-N 2.9Å; D296-Q298 PolarHBondContact OD1-NE2 2.85Å; D296-Q298 VanDerWaalsContact OD1-NE2 3.14Å; D296-Q298 PolarHBondContact OD2-NE2 2.73Å
297R75.1Confident87.4Confident224 Ų22484 Ų8485%0.84541%0.405SS*.  trans-7880.9168.8-64.1-175.5-177.9-174.3-0.4107.4R295R295-R297 VanDerWaalsContact C-N 3.25Å; R295-R297 PolarHBondContact O-N 2.95Å
298Q64.2Low87.1Confident69 Ų6987.5 Ų87.532%0.32240%0.402SS..  trans-55138.3165.8-64.6-91.5-51.700108.1D296D296-Q298 PolarHBondContact O-N 2.9Å; D296-Q298 PolarHBondContact OD1-NE2 2.85Å; D296-Q298 VanDerWaalsContact OD1-NE2 3.14Å; D296-Q298 PolarHBondContact OD2-NE2 2.73Å
299P51.2Low86.5Confident195 Ų19590.5 Ų90.5100%1.26641%0.413SS*.  trans-60.40-179.825.8-33.5000112.8

Retrieved 299 of 299 residues in 1274.9 ms (Link to these results)

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