A0A096NS05_PAPAN Loading...

Zinc finger protein 1 homolog

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096NS05, Species PAPAN (Papio anubis, Olive baboon), Gene ZFP1, Length 407 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
1M30.1Very low36.7Very low244 Ų244127.1 Ų127.1100%1.20271%0.714SS**  01090-86.1168.8145.200108.1K3M1-K3 PolarHBondContact O-N 2.9Å
2N31Very low37.5Very low172 Ų172125.5 Ų125.592%0.9270%0.703SS**  trans-61.2126.7-179.8-81.1-20.4000110.8
3K30.5Very low38Very low206 Ų206119.5 Ų119.590%0.89667%0.671SS**  trans-104105.8156.1-82-173.7175.5-179.10107.5M1 Q5M1-K3 PolarHBondContact O-N 2.9Å; K3-Q5 PolarHBondContact O-N 3.24Å
4S30.9Very low38.3Very low112 Ų112112.8 Ų112.878%0.78363%0.634SS**  trans-51.9124.9169.542.90000109.5G6S4-G6 PolarHBondContact O-N 3.35Å
5Q38.5Very low39Very low181 Ų181110.9 Ų110.985%0.84663%0.626SS**  trans-62.6115.1160.9-74.9176.7-21.200106.7K3 S7K3-Q5 PolarHBondContact O-N 3.24Å; Q5-S7 PolarHBondContact O-N 3.38Å; Q5-S7 VanDerWaalsContact O-N 3.12Å
6G36.3Very low39.3Very low69 Ų69111.5 Ų111.571%0.71163%0.627SS**  trans-58.5116.6174.900000109.6S4 V8S4-G6 PolarHBondContact O-N 3.35Å; G6-V8 PolarHBondContact O-N 3.47Å
7S42.8Very low39.8Very low96 Ų96109.6 Ų109.667%0.67161%0.611SS**  trans-62.4116.7167.2168.90000108.1Q5 S9Q5-S7 PolarHBondContact O-N 3.38Å; Q5-S7 VanDerWaalsContact O-N 3.12Å; S7-S9 PolarHBondContact O-N 2.96Å
8V40.6Very low40.1Very low92 Ų92107.4 Ų107.456%0.55860%0.601SS**  trans-73.2111.1169.3-179.50000107.2G6 D12 V13G6-V8 PolarHBondContact O-N 3.47Å; V8-D12 HydrophobicContact CG1-CB 4.02Å; V8-V13 HydrophobicContact CG1-CG1 4.09Å
9S43.1Very low39.9Very low39 Ų39108.6 Ų108.627%0.27360%0.601SS.*  trans-86.5162.1179.164.70000111S7 T11 D12S7-S9 PolarHBondContact O-N 2.96Å; S9-T11 PolarHBondContact O-N 3.2Å; S9-T11 PolarHBondContact OG-OG1 3.42Å; S9-D12 PolarHBondContact N-OD2 3.23Å; S9-D12 WeakPolarHBondContact O-CB 3.38Å; S9-D12 PolarHBondContact O-N 3.26Å; S9-D12 PolarHBondContact OG-OD2 3.06Å
10F40.7Very low40Very low85 Ų85109.5 Ų109.537%0.37360%0.6SS.*G310 helixtrans-56.8-34.7174.6-174.9-108.6000111.8D12 V13 T14 N40 Y41 L44F10-D12 PolarHBondContact O-N 3.42Å; F10-V13 HydrophobicContact CD2-CG2 4.46Å; F10-V13 VanDerWaalsContact O-CG2 3.23Å; F10-V13 WeakPolarHBondContact O-CG2 2.93Å; F10-V13 PolarHBondContact O-N 2.87Å; F10-V13 VanDerWaalsContact O-N 3.13Å; F10-T14 HydrophobicContact CD1-CG2 3.43Å; F10-T14 VanDerWaalsContact CD1-CG2 3.43Å; F10-T14 HydrophobicContact CD2-CG2 4.4Å; F10-T14 HydrophobicContact CE1-CG2 3.18Å; F10-T14 HydrophobicContact CE2-CG2 4.18Å; F10-T14 HydrophobicContact CG-CG2 4.05Å; F10-T14 HydrophobicContact CZ-CG2 3.59Å; F10-T14 WeakPolarHBondContact O-CG2 3.21Å; F10-T14 PolarHBondContact O-N 2.91Å; F10-N40 HydrophobicContact CE2-CB 4.46Å; F10-Y41 HydrophobicContact CD2-CD2 4.21Å; F10-Y41 HydrophobicContact CE2-CD2 4.17Å; F10-Y41 HydrophobicContact CE2-CG 4.45Å; F10-L44 HydrophobicContact CB-CD1 4.04Å; F10-L44 HydrophobicContact CD2-CD1 3.6Å; F10-L44 HydrophobicContact CG-CD1 4.3Å
11T39.6Very low40.1Very low102 Ų102108.7 Ų108.763%0.62659%0.593SS**G310 helixtrans-65.5-20175.841.90000114.2S9 V13 T14S9-T11 PolarHBondContact O-N 3.2Å; S9-T11 PolarHBondContact OG-OG1 3.42Å; T11-V13 VanDerWaalsContact C-N 3.28Å; T11-T14 WeakPolarHBondContact CA-OG1 3.18Å; T11-T14 PolarHBondContact O-OG1 3.03Å
12D46.4Very low41Very low108 Ų108101.3 Ų101.358%0.57855%0.551SS**G310 helixtrans-81-11.6176.4-60.5-47000112.6V8 S9 F10V8-D12 HydrophobicContact CG1-CB 4.02Å; S9-D12 PolarHBondContact N-OD2 3.23Å; S9-D12 WeakPolarHBondContact O-CB 3.38Å; S9-D12 PolarHBondContact O-N 3.26Å; S9-D12 PolarHBondContact OG-OD2 3.06Å; F10-D12 PolarHBondContact O-N 3.42Å
13V43.7Very low41.6Very low48 Ų4899.1 Ų99.129%0.29154%0.536SS..THydrogen-bonded Turntrans-125.1-1.5-176.8-60.80000113.3V8 F10 T11 N40 L44V8-V13 HydrophobicContact CG1-CG1 4.09Å; F10-V13 HydrophobicContact CD2-CG2 4.46Å; F10-V13 VanDerWaalsContact O-CG2 3.23Å; F10-V13 WeakPolarHBondContact O-CG2 2.93Å; F10-V13 PolarHBondContact O-N 2.87Å; F10-V13 VanDerWaalsContact O-N 3.13Å; T11-V13 VanDerWaalsContact C-N 3.28Å; V13-N40 HydrophobicContact CG2-CB 4.28Å; V13-N40 PolarHBondContact O-ND2 3.4Å; V13-L44 HydrophobicContact CG2-CD1 3.48Å; V13-L44 VanDerWaalsContact CG2-CD1 3.48Å; V13-L44 HydrophobicContact CG2-CG 4.42Å
14T41.9Very low42.3Very low25 Ų2596.9 Ų96.915%0.15353%0.528CS..  trans-77152.917152.30000110.5F10 T11 M37F10-T14 HydrophobicContact CD1-CG2 3.43Å; F10-T14 VanDerWaalsContact CD1-CG2 3.43Å; F10-T14 HydrophobicContact CD2-CG2 4.4Å; F10-T14 HydrophobicContact CE1-CG2 3.18Å; F10-T14 HydrophobicContact CE2-CG2 4.18Å; F10-T14 HydrophobicContact CG-CG2 4.05Å; F10-T14 HydrophobicContact CZ-CG2 3.59Å; F10-T14 WeakPolarHBondContact O-CG2 3.21Å; F10-T14 PolarHBondContact O-N 2.91Å; T11-T14 WeakPolarHBondContact CA-OG1 3.18Å; T11-T14 PolarHBondContact O-OG1 3.03Å; T14-M37 HydrophobicContact CG2-SD 4.07Å
15V48.3Very low42.9Very low84 Ų8492.8 Ų92.851%0.50950%0.498SS..  trans-116.599.6170.9176.10000105.4Y33 M37V15-Y33 HydrophobicContact CB-CE2 4.47Å; V15-Y33 WeakPolarHBondContact O-CE2 3.42Å; V15-Y33 PolarHBondContact O-OH 3.39Å; V15-M37 HydrophobicContact CB-CE 4.2Å; V15-M37 HydrophobicContact CG2-CE 4.32Å
16D45Very low43Very low121 Ų12187.3 Ų87.365%0.64747%0.474SS*.PPolyproline II helixtrans-83.2137.4-177-58.9-41.2000110.1
17F46.7Very low43.1Very low79 Ų7988.5 Ų88.535%0.34647%0.469SS..PPolyproline II helixtrans-103.5140.4171.1-71.6-77.3000109.3E21 W22 L25 Y33F17-E21 HydrophobicContact CB-CB 4.32Å; F17-E21 HydrophobicContact CD1-CB 3.96Å; F17-W22 HydrophobicContact CB-CB 4.34Å; F17-W22 HydrophobicContact CB-CE3 4.01Å; F17-W22 AromaticContact CD2-CE3 3.74Å; F17-W22 HydrophobicContact CD2-CE3 3.74Å; F17-W22 AromaticContact CD2-CZ3 3.87Å; F17-W22 HydrophobicContact CD2-CZ3 3.87Å; F17-W22 HydrophobicContact CE2-CZ3 4.41Å; F17-W22 HydrophobicContact CG-CE3 4.12Å; F17-L25 HydrophobicContact CD1-CD1 4.45Å; F17-L25 HydrophobicContact CD2-CD1 4.14Å; F17-L25 HydrophobicContact CE1-CD1 4.27Å; F17-L25 HydrophobicContact CE1-CD2 4.37Å; F17-L25 HydrophobicContact CE2-CD1 3.93Å; F17-L25 HydrophobicContact CG-CD1 4.38Å; F17-L25 HydrophobicContact CZ-CD1 4Å; F17-L25 HydrophobicContact CZ-CD2 4.45Å; F17-Y33 HydrophobicContact CD2-CD2 4.01Å; F17-Y33 AromaticContact CD2-CE2 3.84Å; F17-Y33 HydrophobicContact CD2-CE2 3.84Å; F17-Y33 AromaticContact CE2-CD2 3.44Å; F17-Y33 HydrophobicContact CE2-CD2 3.44Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.44Å; F17-Y33 AromaticContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CG 4.04Å
18T46Very low42.9Very low70 Ų7088 Ų8843%0.42947%0.466SS..PPolyproline II helixtrans-67.4162.7163.760.20000110.4E20 E21 W22T18-E20 VanDerWaalsContact C-N 3.28Å; T18-E20 PolarHBondContact O-N 3.43Å; T18-E21 WeakPolarHBondContact CB-OE2 3.29Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.43Å; T18-E21 PolarHBondContact N-OE2 2.82Å; T18-E21 PolarHBondContact O-N 3Å; T18-E21 WeakPolarHBondContact OG1-CB 3.48Å; T18-E21 WeakPolarHBondContact OG1-CG 3.38Å; T18-E21 PolarHBondContact OG1-N 3.35Å; T18-E21 PolarHBondContact OG1-OE2 3.08Å; T18-W22 WeakPolarHBondContact O-CB 3.46Å; T18-W22 PolarHBondContact O-N 3.14Å
19Q36.7Very low42.9Very low131 Ų13187.9 Ų87.961%0.61246%0.459SS*.Hα-helixtrans-61.7-39.6-178.3-175.8172.4-17.700111.4W22 E23Q19-W22 PolarHBondContact O-N 3.23Å; Q19-E23 WeakPolarHBondContact O-CG 3.38Å; Q19-E23 PolarHBondContact O-N 2.83Å; Q19-E23 VanDerWaalsContact O-N 3.13Å
20E41.6Very low42.9Very low125 Ų12589.8 Ų89.858%0.58446%0.461SS*.Hα-helixtrans-66.8-36.3177.1-61.180.4-173.900112.4T18 Q24T18-E20 VanDerWaalsContact C-N 3.28Å; T18-E20 PolarHBondContact O-N 3.43Å; E20-Q24 WeakPolarHBondContact O-CG 3.41Å; E20-Q24 PolarHBondContact O-NE2 2.85Å
21E41.7Very low43Very low93 Ų9390.6 Ų90.644%0.43547%0.468SS..Hα-helixtrans-72.7-36.4176.1-71.1166.3146.900111.8F17 T18 Q24F17-E21 HydrophobicContact CB-CB 4.32Å; F17-E21 HydrophobicContact CD1-CB 3.96Å; T18-E21 WeakPolarHBondContact CB-OE2 3.29Å; T18-E21 WeakPolarHBondContact CG2-OE2 3.43Å; T18-E21 PolarHBondContact N-OE2 2.82Å; T18-E21 PolarHBondContact O-N 3Å; T18-E21 WeakPolarHBondContact OG1-CB 3.48Å; T18-E21 WeakPolarHBondContact OG1-CG 3.38Å; T18-E21 PolarHBondContact OG1-N 3.35Å; T18-E21 PolarHBondContact OG1-OE2 3.08Å; E21-Q24 PolarHBondContact O-N 3.08Å
22W48.3Very low43.1Very low89 Ų8990.3 Ų90.334%0.33746%0.462SS..Hα-helixtrans-67.4-38.6178.9-173.3-97.9000112.5F17 T18 Q19 Q24 L25 R30 Y33F17-W22 HydrophobicContact CB-CB 4.34Å; F17-W22 HydrophobicContact CB-CE3 4.01Å; F17-W22 AromaticContact CD2-CE3 3.74Å; F17-W22 HydrophobicContact CD2-CE3 3.74Å; F17-W22 AromaticContact CD2-CZ3 3.87Å; F17-W22 HydrophobicContact CD2-CZ3 3.87Å; F17-W22 HydrophobicContact CE2-CZ3 4.41Å; F17-W22 HydrophobicContact CG-CE3 4.12Å; T18-W22 WeakPolarHBondContact O-CB 3.46Å; T18-W22 PolarHBondContact O-N 3.14Å; Q19-W22 PolarHBondContact O-N 3.23Å; W22-Q24 PolarHBondContact O-N 3.2Å; W22-L25 HydrophobicContact CD2-CD1 4.32Å; W22-L25 HydrophobicContact CE3-CD1 3.73Å; W22-L25 HydrophobicContact CZ3-CD1 4.04Å; W22-L25 WeakPolarHBondContact O-CB 3.35Å; W22-L25 PolarHBondContact O-N 3.12Å; W22-R30 HydrophobicContact CH2-CG 4.47Å; W22-R30 HydrophobicContact CZ2-CB 4.38Å; W22-R30 HydrophobicContact CZ2-CG 4.14Å; W22-R30 PolarHBondContact O-NE 2.9Å; W22-R30 PolarHBondContact O-NH2 3.32Å; W22-Y33 AromaticContact CH2-CD1 3.34Å; W22-Y33 HydrophobicContact CH2-CD1 3.34Å; W22-Y33 AromaticContact CH2-CE1 3.68Å; W22-Y33 HydrophobicContact CH2-CE1 3.68Å; W22-Y33 HydrophobicContact CH2-CG 4.17Å; W22-Y33 AromaticContact CZ3-CD1 3.29Å; W22-Y33 HydrophobicContact CZ3-CD1 3.29Å; W22-Y33 AromaticContact CZ3-CE1 3.44Å; W22-Y33 HydrophobicContact CZ3-CE1 3.44Å; W22-Y33 VanDerWaalsContact CZ3-CE1 3.44Å; W22-Y33 AromaticContact CZ3-CG 3.84Å; W22-Y33 HydrophobicContact CZ3-CG 3.84Å
23E43.4Very low43Very low127 Ų12787.5 Ų87.559%0.59344%0.443SS*.Hα-helixtrans-65.4-26.1177.4-75.8178.5-171.700112.5Q19 R30Q19-E23 WeakPolarHBondContact O-CG 3.38Å; Q19-E23 PolarHBondContact O-N 2.83Å; Q19-E23 VanDerWaalsContact O-N 3.13Å; E23-R30 PolarHBondContact O-NH2 3.47Å; E23-R30 VanDerWaalsContact O-NH2 3.13Å
24Q46.7Very low42.9Very low158 Ų15890.5 Ų90.574%0.73846%0.456SS*.THydrogen-bonded Turntrans-81.3-12.2176.4-67.5175.931.400114.1E20 E21 W22E20-Q24 WeakPolarHBondContact O-CG 3.41Å; E20-Q24 PolarHBondContact O-NE2 2.85Å; E21-Q24 PolarHBondContact O-N 3.08Å; W22-Q24 PolarHBondContact O-N 3.2Å
25L42.4Very low42.9Very low27 Ų2791.9 Ų91.914%0.14146%0.462CS..SBendtrans-75.6133178.6-61.3179.2000111.8F17 W22 Q29 R30F17-L25 HydrophobicContact CD1-CD1 4.45Å; F17-L25 HydrophobicContact CD2-CD1 4.14Å; F17-L25 HydrophobicContact CE1-CD1 4.27Å; F17-L25 HydrophobicContact CE1-CD2 4.37Å; F17-L25 HydrophobicContact CE2-CD1 3.93Å; F17-L25 HydrophobicContact CG-CD1 4.38Å; F17-L25 HydrophobicContact CZ-CD1 4Å; F17-L25 HydrophobicContact CZ-CD2 4.45Å; W22-L25 HydrophobicContact CD2-CD1 4.32Å; W22-L25 HydrophobicContact CE3-CD1 3.73Å; W22-L25 HydrophobicContact CZ3-CD1 4.04Å; W22-L25 WeakPolarHBondContact O-CB 3.35Å; W22-L25 PolarHBondContact O-N 3.12Å; L25-Q29 HydrophobicContact CB-CB 4.2Å; L25-Q29 HydrophobicContact CD2-CB 4.26Å; L25-R30 HydrophobicContact CB-CG 3.69Å; L25-R30 HydrophobicContact CD1-CG 4.29Å; L25-R30 PolarHBondContact O-NE 3.31Å; L25-R30 VanDerWaalsContact O-NE 3.17Å; L25-R30 PolarHBondContact O-NH2 3.08Å; L25-R30 VanDerWaalsContact O-NH2 3.12Å
26D41.8Very low42.7Very low66 Ų6690.5 Ų90.535%0.35345%0.454SS..  trans-72.7160.6171.882.569.6000111.5S28 Q29 R30D26-S28 PolarHBondContact O-N 3.47Å; D26-S28 VanDerWaalsContact O-N 3.12Å; D26-S28 WeakPolarHBondContact OD1-CA 3.47Å; D26-S28 WeakPolarHBondContact OD1-CB 3.23Å; D26-S28 PolarHBondContact OD1-N 2.86Å; D26-S28 PolarHBondContact OD1-OG 3.25Å; D26-Q29 WeakPolarHBondContact O-CB 2.91Å; D26-Q29 PolarHBondContact O-N 3.08Å; D26-Q29 PolarHBondContact OD1-N 3.33Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.38Å; D26-Q29 PolarHBondContact OD2-NE2 3.18Å; D26-Q29 PolarHBondContact OD2-OE1 3.46Å; D26-R30 PolarHBondContact O-N 2.77Å
27P38.5Very low42.9Very low93 Ų9385.7 Ų85.760%0.60443%0.428SS*.Hα-helixtrans-54.3-33.7-177.6-27.635.7000114.7I31P27-I31 WeakPolarHBondContact O-CD1 3.4Å; P27-I31 VanDerWaalsContact O-CG1 3.23Å; P27-I31 WeakPolarHBondContact O-CG1 3.49Å; P27-I31 PolarHBondContact O-N 3.34Å; P27-I31 VanDerWaalsContact O-N 3.16Å
28S38.6Very low42.8Very low87 Ų8787.1 Ų87.161%0.60844%0.438SS*.Hα-helixtrans-73.3-34.5178.7-52.10000112.1D26 L32D26-S28 PolarHBondContact O-N 3.47Å; D26-S28 VanDerWaalsContact O-N 3.12Å; D26-S28 WeakPolarHBondContact OD1-CA 3.47Å; D26-S28 WeakPolarHBondContact OD1-CB 3.23Å; D26-S28 PolarHBondContact OD1-N 2.86Å; D26-S28 PolarHBondContact OD1-OG 3.25Å; S28-L32 WeakPolarHBondContact O-CB 3.46Å; S28-L32 PolarHBondContact O-N 3.21Å
29Q40.7Very low42.7Very low89 Ų8987.5 Ų87.542%0.41644%0.435SS..Hα-helixtrans-69.9-38.6175.1-71170.7-17.700111.9L25 D26 L32 Y33L25-Q29 HydrophobicContact CB-CB 4.2Å; L25-Q29 HydrophobicContact CD2-CB 4.26Å; D26-Q29 WeakPolarHBondContact O-CB 2.91Å; D26-Q29 PolarHBondContact O-N 3.08Å; D26-Q29 PolarHBondContact OD1-N 3.33Å; D26-Q29 WeakPolarHBondContact OD2-CG 3.38Å; D26-Q29 PolarHBondContact OD2-NE2 3.18Å; D26-Q29 PolarHBondContact OD2-OE1 3.46Å; Q29-L32 PolarHBondContact O-N 3.23Å; Q29-Y33 WeakPolarHBondContact O-CB 3.2Å; Q29-Y33 PolarHBondContact O-N 3.25Å
30R42.9Very low43Very low79 Ų7983.1 Ų83.130%0.29842%0.416SS..Hα-helixtrans-65-39.8175.1-66.9-179.6-180151.97.7112.3W22 E23 L25 D26 Y33 M34W22-R30 HydrophobicContact CH2-CG 4.47Å; W22-R30 HydrophobicContact CZ2-CB 4.38Å; W22-R30 HydrophobicContact CZ2-CG 4.14Å; W22-R30 PolarHBondContact O-NE 2.9Å; W22-R30 PolarHBondContact O-NH2 3.32Å; E23-R30 PolarHBondContact O-NH2 3.47Å; E23-R30 VanDerWaalsContact O-NH2 3.13Å; L25-R30 HydrophobicContact CB-CG 3.69Å; L25-R30 HydrophobicContact CD1-CG 4.29Å; L25-R30 PolarHBondContact O-NE 3.31Å; L25-R30 VanDerWaalsContact O-NE 3.17Å; L25-R30 PolarHBondContact O-NH2 3.08Å; L25-R30 VanDerWaalsContact O-NH2 3.12Å; D26-R30 PolarHBondContact O-N 2.77Å; R30-Y33 PolarHBondContact O-N 3.09Å; R30-M34 PolarHBondContact O-N 2.79Å; R30-M34 VanDerWaalsContact O-N 3.09Å
31I41.1Very low43.1Very low101 Ų10183.1 Ų83.152%0.51841%0.411SS..Hα-helixtrans-64.4-46.5173.9-69.1165.3000110.5P27 Y33 M34 D35P27-I31 WeakPolarHBondContact O-CD1 3.4Å; P27-I31 VanDerWaalsContact O-CG1 3.23Å; P27-I31 WeakPolarHBondContact O-CG1 3.49Å; P27-I31 PolarHBondContact O-N 3.34Å; P27-I31 VanDerWaalsContact O-N 3.16Å; I31-Y33 VanDerWaalsContact C-N 3.29Å; I31-Y33 PolarHBondContact O-N 3.22Å; I31-M34 PolarHBondContact O-N 3.47Å; I31-D35 PolarHBondContact O-N 2.86Å
32L42.3Very low43Very low96 Ų9681.8 Ų81.850%0.50341%0.412SS..Hα-helixtrans-60.9-39.6177.6-179.662.7000112S28 Q29 D35 V36S28-L32 WeakPolarHBondContact O-CB 3.46Å; S28-L32 PolarHBondContact O-N 3.21Å; Q29-L32 PolarHBondContact O-N 3.23Å; L32-D35 PolarHBondContact O-N 3.1Å; L32-V36 HydrophobicContact CD1-CG2 4.33Å; L32-V36 VanDerWaalsContact O-CG2 3.24Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 2.99Å
33Y45.5Very low42.9Very low49 Ų4981.5 Ų81.519%0.19242%0.417CS..Hα-helixtrans-60.8-47.8175172.6-99.5000112.1V15 F17 W22 Q29 R30 I31 D35 V36 M37V15-Y33 HydrophobicContact CB-CE2 4.47Å; V15-Y33 WeakPolarHBondContact O-CE2 3.42Å; V15-Y33 PolarHBondContact O-OH 3.39Å; F17-Y33 HydrophobicContact CD2-CD2 4.01Å; F17-Y33 AromaticContact CD2-CE2 3.84Å; F17-Y33 HydrophobicContact CD2-CE2 3.84Å; F17-Y33 AromaticContact CE2-CD2 3.44Å; F17-Y33 HydrophobicContact CE2-CD2 3.44Å; F17-Y33 VanDerWaalsContact CE2-CD2 3.44Å; F17-Y33 AromaticContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CE2 3.67Å; F17-Y33 HydrophobicContact CE2-CG 4.04Å; W22-Y33 AromaticContact CH2-CD1 3.34Å; W22-Y33 HydrophobicContact CH2-CD1 3.34Å; W22-Y33 AromaticContact CH2-CE1 3.68Å; W22-Y33 HydrophobicContact CH2-CE1 3.68Å; W22-Y33 HydrophobicContact CH2-CG 4.17Å; W22-Y33 AromaticContact CZ3-CD1 3.29Å; W22-Y33 HydrophobicContact CZ3-CD1 3.29Å; W22-Y33 AromaticContact CZ3-CE1 3.44Å; W22-Y33 HydrophobicContact CZ3-CE1 3.44Å; W22-Y33 VanDerWaalsContact CZ3-CE1 3.44Å; W22-Y33 AromaticContact CZ3-CG 3.84Å; W22-Y33 HydrophobicContact CZ3-CG 3.84Å; Q29-Y33 WeakPolarHBondContact O-CB 3.2Å; Q29-Y33 PolarHBondContact O-N 3.25Å; R30-Y33 PolarHBondContact O-N 3.09Å; I31-Y33 VanDerWaalsContact C-N 3.29Å; I31-Y33 PolarHBondContact O-N 3.22Å; Y33-D35 VanDerWaalsContact C-N 3.32Å; Y33-D35 PolarHBondContact O-N 3.38Å; Y33-V36 PolarHBondContact O-N 3.14Å; Y33-M37 HydrophobicContact CD1-CG 4.3Å; Y33-M37 HydrophobicContact CD2-CE 4.38Å; Y33-M37 HydrophobicContact CD2-CG 4.14Å; Y33-M37 HydrophobicContact CE1-CG 3.9Å; Y33-M37 HydrophobicContact CE2-CE 3.95Å; Y33-M37 HydrophobicContact CE2-CG 3.66Å; Y33-M37 HydrophobicContact CE2-SD 4.04Å; Y33-M37 HydrophobicContact CG-CG 4.48Å; Y33-M37 WeakPolarHBondContact O-CG 3.39Å; Y33-M37 PolarHBondContact O-N 3.2Å
34M41.6Very low42.9Very low112 Ų11277 Ų7755%0.55240%0.397SS*.Hα-helixtrans-58.9-43.7176.3-79179.358.600111.8R30 I31 V36 M37 L38R30-M34 PolarHBondContact O-N 2.79Å; R30-M34 VanDerWaalsContact O-N 3.09Å; I31-M34 PolarHBondContact O-N 3.47Å; M34-V36 VanDerWaalsContact C-N 3.34Å; M34-V36 PolarHBondContact O-N 3.23Å; M34-M37 PolarHBondContact O-N 2.89Å; M34-L38 WeakPolarHBondContact O-CB 3.49Å; M34-L38 VanDerWaalsContact O-CG 3.3Å; M34-L38 WeakPolarHBondContact O-CG 3.46Å; M34-L38 PolarHBondContact O-N 3.35Å
35D42.1Very low42.5Very low54 Ų5472.5 Ų72.529%0.28938%0.378SS..Hα-helixtrans-61.4-42.1178.3-74.9-13.7000111.9I31 L32 Y33 E39I31-D35 PolarHBondContact O-N 2.86Å; L32-D35 PolarHBondContact O-N 3.1Å; Y33-D35 VanDerWaalsContact C-N 3.32Å; Y33-D35 PolarHBondContact O-N 3.38Å; D35-E39 WeakPolarHBondContact O-CB 3.39Å; D35-E39 PolarHBondContact O-N 2.83Å
36V44Very low42.3Very low55 Ų5574 Ų7433%0.33339%0.391SS..Hα-helixtrans-69.6-39.6179.3174.70000111.6L32 Y33 M34 E39 N40L32-V36 HydrophobicContact CD1-CG2 4.33Å; L32-V36 VanDerWaalsContact O-CG2 3.24Å; L32-V36 WeakPolarHBondContact O-CG2 3.37Å; L32-V36 PolarHBondContact O-N 2.99Å; Y33-V36 PolarHBondContact O-N 3.14Å; M34-V36 VanDerWaalsContact C-N 3.34Å; M34-V36 PolarHBondContact O-N 3.23Å; V36-E39 PolarHBondContact O-N 3.01Å; V36-N40 VanDerWaalsContact O-CG 3.29Å; V36-N40 PolarHBondContact O-N 3.13Å
37M49Very low42.1Very low20 Ų2074.9 Ų74.910%0.09940%0.398CS..Hα-helixtrans-68-37.5177.4-69.2-58.2110.500112.2T14 V15 Y33 M34 N40 Y41T14-M37 HydrophobicContact CG2-SD 4.07Å; V15-M37 HydrophobicContact CB-CE 4.2Å; V15-M37 HydrophobicContact CG2-CE 4.32Å; Y33-M37 HydrophobicContact CD1-CG 4.3Å; Y33-M37 HydrophobicContact CD2-CE 4.38Å; Y33-M37 HydrophobicContact CD2-CG 4.14Å; Y33-M37 HydrophobicContact CE1-CG 3.9Å; Y33-M37 HydrophobicContact CE2-CE 3.95Å; Y33-M37 HydrophobicContact CE2-CG 3.66Å; Y33-M37 HydrophobicContact CE2-SD 4.04Å; Y33-M37 HydrophobicContact CG-CG 4.48Å; Y33-M37 WeakPolarHBondContact O-CG 3.39Å; Y33-M37 PolarHBondContact O-N 3.2Å; M34-M37 PolarHBondContact O-N 2.89Å; M37-N40 PolarHBondContact O-N 2.89Å; M37-Y41 WeakPolarHBondContact O-CB 3.37Å; M37-Y41 PolarHBondContact O-N 3.14Å
38L43.4Very low41.9Very low109 Ų10976.1 Ų76.157%0.57140%0.396SS*.Hα-helixtrans-66.2-38173.6-72.9170.7000112.1M34 Y41 S42M34-L38 WeakPolarHBondContact O-CB 3.49Å; M34-L38 VanDerWaalsContact O-CG 3.3Å; M34-L38 WeakPolarHBondContact O-CG 3.46Å; M34-L38 PolarHBondContact O-N 3.35Å; L38-Y41 PolarHBondContact O-N 3.4Å; L38-S42 WeakPolarHBondContact O-CB 3.2Å; L38-S42 PolarHBondContact O-N 2.86Å
39E44.7Very low41.4Very low77 Ų7775.8 Ų75.836%0.3639%0.39SS..Hα-helixtrans-64.4-43.3173.5-176.1175176.500111.4D35 V36 Y41 S42 N43D35-E39 WeakPolarHBondContact O-CB 3.39Å; D35-E39 PolarHBondContact O-N 2.83Å; V36-E39 PolarHBondContact O-N 3.01Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.47Å; E39-S42 PolarHBondContact O-N 2.78Å; E39-N43 WeakPolarHBondContact O-CB 3.46Å; E39-N43 PolarHBondContact O-N 3.05Å; E39-N43 PolarHBondContact O-ND2 3.21Å
40N43.8Very low40.6Very low39 Ų3980.4 Ų80.421%0.20940%0.404CS..Hα-helixtrans-61.5-42.4176-73-10.6000111.8F10 V13 V36 M37 N43 L44F10-N40 HydrophobicContact CE2-CB 4.46Å; V13-N40 HydrophobicContact CG2-CB 4.28Å; V13-N40 PolarHBondContact O-ND2 3.4Å; V36-N40 VanDerWaalsContact O-CG 3.29Å; V36-N40 PolarHBondContact O-N 3.13Å; M37-N40 PolarHBondContact O-N 2.89Å; N40-N43 PolarHBondContact O-N 3.01Å; N40-L44 PolarHBondContact O-N 3.19Å
41Y42.2Very low39.9Very low125 Ų12582.9 Ų82.949%0.4942%0.417SS..Hα-helixtrans-63.7-46.5176-177.9-108000112.2F10 M37 L38 E39 N43 L44 L45F10-Y41 HydrophobicContact CD2-CD2 4.21Å; F10-Y41 HydrophobicContact CE2-CD2 4.17Å; F10-Y41 HydrophobicContact CE2-CG 4.45Å; M37-Y41 WeakPolarHBondContact O-CB 3.37Å; M37-Y41 PolarHBondContact O-N 3.14Å; L38-Y41 PolarHBondContact O-N 3.4Å; E39-Y41 VanDerWaalsContact C-N 3.34Å; E39-Y41 PolarHBondContact O-N 3.47Å; Y41-N43 VanDerWaalsContact C-N 3.32Å; Y41-N43 PolarHBondContact O-N 3.27Å; Y41-L44 PolarHBondContact O-N 3.26Å; Y41-L45 HydrophobicContact CD1-CD1 3.85Å; Y41-L45 HydrophobicContact CD1-CG 4.46Å; Y41-L45 HydrophobicContact CE1-CD1 3.3Å; Y41-L45 HydrophobicContact CE1-CG 4.08Å; Y41-L45 HydrophobicContact CE2-CD1 4.44Å; Y41-L45 HydrophobicContact CE2-CG 4.39Å; Y41-L45 WeakPolarHBondContact O-CG 3.49Å; Y41-L45 PolarHBondContact O-N 3.38Å
42S41.1Very low39.2Very low65 Ų6580.8 Ų80.846%0.45542%0.415SS..Hα-helixtrans-64.3-36.2178.9-1740000112.7L38 E39 S46L38-S42 WeakPolarHBondContact O-CB 3.2Å; L38-S42 PolarHBondContact O-N 2.86Å; E39-S42 PolarHBondContact O-N 2.78Å; S42-S46 WeakPolarHBondContact O-CB 3.31Å; S42-S46 PolarHBondContact O-N 3.18Å; S42-S46 PolarHBondContact O-OG 3.46Å
43N44.9Very low38.4Very low83 Ų8381.1 Ų81.144%0.44442%0.417SS..Hα-helixtrans-67.7-40.2175-74.2-35.5000111.8E39 N40 Y41 S46 V47E39-N43 WeakPolarHBondContact O-CB 3.46Å; E39-N43 PolarHBondContact O-N 3.05Å; E39-N43 PolarHBondContact O-ND2 3.21Å; N40-N43 PolarHBondContact O-N 3.01Å; Y41-N43 VanDerWaalsContact C-N 3.32Å; Y41-N43 PolarHBondContact O-N 3.27Å; N43-S46 PolarHBondContact O-N 3.42Å; N43-V47 WeakPolarHBondContact O-CG2 3.4Å; N43-V47 PolarHBondContact O-N 3.35Å; N43-V47 VanDerWaalsContact O-N 3.16Å
44L43.2Very low37.7Very low32 Ų3285 Ų8517%0.16844%0.441CS..Hα-helixtrans-65.1-44.7175-81.8163.7000112.3F10 V13 N40 Y41 S46 V47 E48F10-L44 HydrophobicContact CB-CD1 4.04Å; F10-L44 HydrophobicContact CD2-CD1 3.6Å; F10-L44 HydrophobicContact CG-CD1 4.3Å; V13-L44 HydrophobicContact CG2-CD1 3.48Å; V13-L44 VanDerWaalsContact CG2-CD1 3.48Å; V13-L44 HydrophobicContact CG2-CG 4.42Å; N40-L44 PolarHBondContact O-N 3.19Å; Y41-L44 PolarHBondContact O-N 3.26Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.02Å; L44-V47 WeakPolarHBondContact O-CA 3.28Å; L44-V47 WeakPolarHBondContact O-CB 3.49Å; L44-V47 PolarHBondContact O-N 3.39Å; L44-E48 PolarHBondContact O-N 3.3Å
45L38.2Very low37.1Very low64 Ų6486.1 Ų86.134%0.33545%0.445SS..Hα-helixtrans-59.8-37.7173.9-74178.4000112.3Y41 V47 E48 V49Y41-L45 HydrophobicContact CD1-CD1 3.85Å; Y41-L45 HydrophobicContact CD1-CG 4.46Å; Y41-L45 HydrophobicContact CE1-CD1 3.3Å; Y41-L45 HydrophobicContact CE1-CG 4.08Å; Y41-L45 HydrophobicContact CE2-CD1 4.44Å; Y41-L45 HydrophobicContact CE2-CG 4.39Å; Y41-L45 WeakPolarHBondContact O-CG 3.49Å; Y41-L45 PolarHBondContact O-N 3.38Å; L45-V47 PolarHBondContact O-N 3.27Å; L45-E48 PolarHBondContact O-N 2.82Å; L45-V49 VanDerWaalsContact O-CG2 3.26Å; L45-V49 WeakPolarHBondContact O-CG2 3.34Å; L45-V49 PolarHBondContact O-N 2.86Å
46S38.4Very low36.4Very low59 Ų5990.8 Ų90.841%0.41347%0.467SS..Hα-helixtrans-65.6-30.2176.2-59.70000112.2S42 N43 L44 W50S42-S46 WeakPolarHBondContact O-CB 3.31Å; S42-S46 PolarHBondContact O-N 3.18Å; S42-S46 PolarHBondContact O-OG 3.46Å; N43-S46 PolarHBondContact O-N 3.42Å; L44-S46 VanDerWaalsContact C-N 3.27Å; L44-S46 PolarHBondContact O-N 3.02Å; S46-W50 PolarHBondContact O-N 3.36Å
47V39Very low35.9Very low84 Ų8497 Ų9751%0.50949%0.492SS..Hα-helixtrans-75.5-32.8174.31740000111.5N43 L44 L45N43-V47 WeakPolarHBondContact O-CG2 3.4Å; N43-V47 PolarHBondContact O-N 3.35Å; N43-V47 VanDerWaalsContact O-N 3.16Å; L44-V47 WeakPolarHBondContact O-CA 3.28Å; L44-V47 WeakPolarHBondContact O-CB 3.49Å; L44-V47 PolarHBondContact O-N 3.39Å; L45-V47 PolarHBondContact O-N 3.27Å
48E32.5Very low35.1Very low119 Ų119105.2 Ų105.256%0.55652%0.522SS*.Hα-helixtrans-76.3-38.7176.4-70.8-175.216000113.3L44 L45 W50 K51 A52L44-E48 PolarHBondContact O-N 3.3Å; L45-E48 PolarHBondContact O-N 2.82Å; E48-W50 VanDerWaalsContact C-N 3.25Å; E48-W50 PolarHBondContact O-N 2.77Å; E48-K51 WeakPolarHBondContact O-CB 3.49Å; E48-K51 PolarHBondContact O-N 2.82Å; E48-A52 PolarHBondContact O-N 2.77Å
49V27.9Very low34.3Very low81 Ų81106.9 Ų106.949%0.49153%0.532SS..Hα-helixtrans-61.1-36.2175.4170.60000111.3L45 K51 A52 D53L45-V49 VanDerWaalsContact O-CG2 3.26Å; L45-V49 WeakPolarHBondContact O-CG2 3.34Å; L45-V49 PolarHBondContact O-N 2.86Å; V49-K51 VanDerWaalsContact C-N 3.27Å; V49-K51 PolarHBondContact O-N 3.38Å; V49-A52 PolarHBondContact O-N 3.42Å; V49-D53 PolarHBondContact O-N 2.99Å; V49-D53 VanDerWaalsContact O-N 3.13Å
50W24.6Very low33.8Very low185 Ų185112.9 Ų112.970%0.70156%0.559SS**Hα-helixtrans-64.8-29.5173.8-82.950.5000113.3S46 E48S46-W50 PolarHBondContact O-N 3.36Å; E48-W50 VanDerWaalsContact C-N 3.25Å; E48-W50 PolarHBondContact O-N 2.77Å
51K27.9Very low33.2Very low132 Ų132121.6 Ų121.657%0.57459%0.589SS**Hα-helixtrans-75.8-30175.3-66.6177.2-179.9176.70112.2E48 V49E48-K51 WeakPolarHBondContact O-CB 3.49Å; E48-K51 PolarHBondContact O-N 2.82Å; V49-K51 VanDerWaalsContact C-N 3.27Å; V49-K51 PolarHBondContact O-N 3.38Å
52A26.3Very low32.7Very low57 Ų57121.2 Ų121.247%0.47160%0.596SS.*Hα-helixtrans-74.9-37178.100000112.5E48 V49 D54 Q55 M56E48-A52 PolarHBondContact O-N 2.77Å; V49-A52 PolarHBondContact O-N 3.42Å; A52-D54 VanDerWaalsContact C-N 3.3Å; A52-D54 PolarHBondContact O-N 2.7Å; A52-Q55 PolarHBondContact O-N 3.06Å; A52-M56 PolarHBondContact O-N 2.83Å
53D27.1Very low32.3Very low102 Ų102122.7 Ų122.755%0.54560%0.604SS.*Hα-helixtrans-64.6-33.4175.6-76.1-18.3000112.1V49 Q55V49-D53 PolarHBondContact O-N 2.99Å; V49-D53 VanDerWaalsContact O-N 3.13Å; D53-Q55 VanDerWaalsContact C-N 3.29Å; D53-Q55 PolarHBondContact O-N 3.17Å
54D30.5Very low31.9Very low132 Ų132123.7 Ų123.771%0.70661%0.609SS**THydrogen-bonded Turntrans-70.3-19.8176.2-87.1-8.3000113.6A52A52-D54 VanDerWaalsContact C-N 3.3Å; A52-D54 PolarHBondContact O-N 2.7Å
55Q28.6Very low31.3Very low135 Ų135128.8 Ų128.863%0.63163%0.632SS**THydrogen-bonded Turntrans-93.1-19.1-179.1-152.981.223.800112.9A52 D53 E57A52-Q55 PolarHBondContact O-N 3.06Å; D53-Q55 VanDerWaalsContact C-N 3.29Å; D53-Q55 PolarHBondContact O-N 3.17Å; Q55-E57 PolarHBondContact O-N 3.24Å
56M26.6Very low31Very low151 Ų151133.6 Ų133.674%0.74465%0.653SS**THydrogen-bonded Turntrans-77.4-10-172.2-99.9-179.464.900115.7A52 R58A52-M56 PolarHBondContact O-N 2.83Å; M56-R58 VanDerWaalsContact C-N 3.31Å; M56-R58 PolarHBondContact O-N 3.41Å
57E34.5Very low30.6Very low186 Ų186133 Ų13387%0.86965%0.652SS**THydrogen-bonded Turntrans-83.15.7-179.8-78.1-162155.200114.9Q55Q55-E57 PolarHBondContact O-N 3.24Å
58R32Very low30.3Very low193 Ų193137.3 Ų137.373%0.72866%0.659SS**SBendtrans-118.3-6.2-172-79.6-167.9-71.7-155-3.8119.7M56M56-R58 VanDerWaalsContact C-N 3.31Å; M56-R58 PolarHBondContact O-N 3.41Å
59D26.1Very low30.1Very low144 Ų144138 Ų13877%0.7766%0.662SS**  trans-129.5116.3178.4-86.2-35.3000113.6R61D59-R61 PolarHBondContact O-N 2.88Å; D59-R61 VanDerWaalsContact O-N 3.11Å
60H35.2Very low30.1Very low203 Ų203141.6 Ų141.694%0.9467%0.671SS**  trans-75.885.6170.6-77.3-19.9000111.3
61R30.9Very low30.4Very low221 Ų221137.8 Ų137.883%0.83466%0.664SS**  trans-139.2134.4157.8-108.8-176.3-74-138.8-0.7111D59 P63D59-R61 PolarHBondContact O-N 2.88Å; D59-R61 VanDerWaalsContact O-N 3.11Å; R61-P63 WeakPolarHBondContact O-CD 3.39Å
62N31.8Very low30.6Very low117 Ų117137 Ų13763%0.62667%0.665SS**  trans-65.8115.7-168.7-167.50000112D64N62-D64 VanDerWaalsContact C-N 3.29Å; N62-D64 PolarHBondContact O-N 3.03Å
63P32.2Very low30.7Very low96 Ų96140 Ų14062%0.62367%0.673SS**Hα-helixtrans-70.7-16.5-174.6-19.132.2000115.4R61 E65 A67R61-P63 WeakPolarHBondContact O-CD 3.39Å; P63-E65 PolarHBondContact O-N 3.48Å; P63-A67 PolarHBondContact O-N 3.35Å
64D35.3Very low30.8Very low104 Ų104140.5 Ų140.556%0.55667%0.67SS**Hα-helixtrans-76.2-19.7-169.8-103.9-0.7000114.2N62 R68N62-D64 VanDerWaalsContact C-N 3.29Å; N62-D64 PolarHBondContact O-N 3.03Å; D64-R68 WeakPolarHBondContact O-CB 3.48Å; D64-R68 WeakPolarHBondContact O-CD 3.46Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-N 3.06Å
65E32Very low31Very low140 Ų140140.3 Ų140.365%0.65467%0.669SS**Hα-helixtrans-87.6-36.4-176.6-150.4158.3-162.700111.9P63 Q69P63-E65 PolarHBondContact O-N 3.48Å; E65-Q69 PolarHBondContact O-N 3.41Å; E65-Q69 VanDerWaalsContact O-N 3.15Å
66Q31.1Very low31.3Very low164 Ų164142.2 Ų142.277%0.76668%0.678SS**Hα-helixtrans-71.7-37.4173.1-89.5-179.8-9.400112.9R68 Q69 F70Q66-R68 VanDerWaalsContact C-N 3.31Å; Q66-R68 PolarHBondContact O-N 3.05Å; Q66-Q69 PolarHBondContact O-N 2.89Å; Q66-F70 WeakPolarHBondContact O-CB 3.37Å; Q66-F70 PolarHBondContact O-N 2.99Å
67A31.2Very low31.5Very low48 Ų48137.9 Ų137.940%0.39766%0.66SS.*Hα-helixtrans-66-35.3176.200000112.1P63 F70 L71P63-A67 PolarHBondContact O-N 3.35Å; A67-F70 PolarHBondContact O-N 3.22Å; A67-L71 WeakPolarHBondContact O-CB 3.47Å; A67-L71 WeakPolarHBondContact O-CD1 3.37Å; A67-L71 PolarHBondContact O-N 3.45Å; A67-L71 VanDerWaalsContact O-N 3.08Å
68R31.5Very low31.6Very low174 Ų174133.7 Ų133.766%0.65765%0.649SS**Hα-helixtrans-67.6-40.9173.8-77.8177.3-177.4-159.92.1112.1D64 Q66 F70 L71 I72D64-R68 WeakPolarHBondContact O-CB 3.48Å; D64-R68 WeakPolarHBondContact O-CD 3.46Å; D64-R68 WeakPolarHBondContact O-CG 3.4Å; D64-R68 PolarHBondContact O-N 3.06Å; Q66-R68 VanDerWaalsContact C-N 3.31Å; Q66-R68 PolarHBondContact O-N 3.05Å; R68-F70 VanDerWaalsContact C-N 3.32Å; R68-F70 PolarHBondContact O-N 3.39Å; R68-L71 PolarHBondContact O-N 3.4Å; R68-I72 WeakPolarHBondContact O-CD1 3.25Å; R68-I72 VanDerWaalsContact O-CG1 3.29Å; R68-I72 WeakPolarHBondContact O-CG1 3.36Å; R68-I72 PolarHBondContact O-N 3.47Å
69Q28.5Very low31.8Very low133 Ų133131.1 Ų131.162%0.62165%0.648SS**Hα-helixtrans-62.9-37.9174.5-141.495.922.900112.1E65 Q66 L73E65-Q69 PolarHBondContact O-N 3.41Å; E65-Q69 VanDerWaalsContact O-N 3.15Å; Q66-Q69 PolarHBondContact O-N 2.89Å; Q69-L73 PolarHBondContact O-N 3.48Å
70F28.5Very low32.4Very low156 Ų156133.5 Ų133.568%0.68466%0.655SS**Hα-helixtrans-73.2-32-179.3-144.4-91.1000113.4Q66 A67 R68 K74Q66-F70 WeakPolarHBondContact O-CB 3.37Å; Q66-F70 PolarHBondContact O-N 2.99Å; A67-F70 PolarHBondContact O-N 3.22Å; R68-F70 VanDerWaalsContact C-N 3.32Å; R68-F70 PolarHBondContact O-N 3.39Å; F70-K74 PolarHBondContact O-N 2.7Å
71L30.6Very low32.5Very low105 Ų105130.6 Ų130.655%0.5564%0.641SS.*Hα-helixtrans-74.6-31.9176.5-87156.8000112.9A67 R68A67-L71 WeakPolarHBondContact O-CB 3.47Å; A67-L71 WeakPolarHBondContact O-CD1 3.37Å; A67-L71 PolarHBondContact O-N 3.45Å; A67-L71 VanDerWaalsContact O-N 3.08Å; R68-L71 PolarHBondContact O-N 3.4Å
72I32.3Very low32.8Very low115 Ų115125 Ų12559%0.5962%0.62SS**Hα-helixtrans-70.8-41.7178.8-67.6167.3000111R68 K74R68-I72 WeakPolarHBondContact O-CD1 3.25Å; R68-I72 VanDerWaalsContact O-CG1 3.29Å; R68-I72 WeakPolarHBondContact O-CG1 3.36Å; R68-I72 PolarHBondContact O-N 3.47Å; I72-K74 VanDerWaalsContact C-N 3.33Å; I72-K74 PolarHBondContact O-N 3.4Å
73L28.2Very low32.9Very low122 Ų122122.3 Ų122.364%0.63962%0.621SS**Hα-helixtrans-68.7-26.9177.2-88152.5000114Q69 N75 T77Q69-L73 PolarHBondContact O-N 3.48Å; L73-N75 VanDerWaalsContact C-N 3.28Å; L73-N75 PolarHBondContact O-N 2.94Å; L73-T77 PolarHBondContact O-OG1 3.18Å
74K30Very low33.1Very low112 Ų112123.5 Ų123.549%0.48762%0.622SS.*Hα-helixtrans-69.2-24.6-178.5-160.8176.2-176.5179.30112.7F70 I72 R82F70-K74 PolarHBondContact O-N 2.7Å; I72-K74 VanDerWaalsContact C-N 3.33Å; I72-K74 PolarHBondContact O-N 3.4Å; K74-R82 PolarHBondContact O-NH2 3.33Å
75N33.9Very low33Very low128 Ų128124.1 Ų124.168%0.68462%0.624SS**THydrogen-bonded Turntrans-1015.6-168.5-69.6-16.9000114.8L73L73-N75 VanDerWaalsContact C-N 3.28Å; L73-N75 PolarHBondContact O-N 2.94Å
76Q34.2Very low32.9Very low174 Ų174125.2 Ų125.281%0.81363%0.627SS**SBendtrans-131.96.4-177.2-71.5-175.8-23.300115.9
77T31.1Very low33.1Very low61 Ų61120 Ų12037%0.37462%0.618SS.*SBendtrans-118.1136179.242.90000112.9L73L73-T77 PolarHBondContact O-OG1 3.18Å
78P36.6Very low33.3Very low97 Ų97125.2 Ų125.263%0.6363%0.631SS**  trans-60.3151.7177.6-23.234.1000113.8E80P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 3.47Å
79I37.2Very low33.3Very low140 Ų140120.7 Ų120.772%0.71863%0.631SS**G310 helixtrans-65.7-23.9-166.3-68.1168.6000113.5E81I79-E81 VanDerWaalsContact C-N 3.33Å; I79-E81 PolarHBondContact O-N 3.35Å
80E37.3Very low33.6Very low194 Ų194119.7 Ų119.791%0.90763%0.63SS**G310 helixtrans-73.9-17.6-173.8-67.8176.2169.200114P78P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 3.47Å
81E37.4Very low33.7Very low141 Ų141119.7 Ų119.766%0.65964%0.637SS**G310 helixtrans-99.50.6-179.3-69.4-173.9162.800114.6I79 G83I79-E81 VanDerWaalsContact C-N 3.33Å; I79-E81 PolarHBondContact O-N 3.35Å; E81-G83 VanDerWaalsContact C-N 3.3Å; E81-G83 PolarHBondContact O-N 3.18Å
82R37.1Very low33.8Very low103 Ų103121.9 Ų121.939%0.38965%0.648SS.*Hα-helixtrans-73.7-16.1-177.2-84-173.4-172.2160.45.4115.1K74K74-R82 PolarHBondContact O-NH2 3.33Å
83G33.8Very low33.4Very low62 Ų62123.7 Ų123.764%0.63966%0.659SS**Hα-helixtrans-67.4-40178.700000112.9E81 F86E81-G83 VanDerWaalsContact C-N 3.3Å; E81-G83 PolarHBondContact O-N 3.18Å; G83-F86 PolarHBondContact O-N 3.06Å
84D36.9Very low33.5Very low121 Ų121123 Ų12365%0.64766%0.66SS**Hα-helixtrans-80.4-23.2-170.5-125.430.9000113.4
85L32.9Very low33.4Very low116 Ų116124.3 Ų124.361%0.60767%0.672SS**Hα-helixtrans-76.9-28.4174.2-80.8159.7000112.8G87 K88 A89L85-G87 VanDerWaalsContact C-N 3.34Å; L85-K88 PolarHBondContact O-N 3.31Å; L85-A89 PolarHBondContact O-N 3.03Å
86F31.6Very low33Very low164 Ų164128.4 Ų128.472%0.71969%0.685SS**Hα-helixtrans-69.5-33.1178.9-139.8-93.7000111.8G83G83-F86 PolarHBondContact O-N 3.06Å
87G34.2Very low32.5Very low55 Ų55126.1 Ų126.157%0.56768%0.682SS**Hα-helixtrans-72.7-39.417400000113.7L85L85-G87 VanDerWaalsContact C-N 3.34Å
88K35.3Very low32.3Very low156 Ų156127.7 Ų127.768%0.67870%0.696SS**Hα-helixtrans-73.2-27.5-178.8-73.7174.3-179.2165.30113.8L85 L90L85-K88 PolarHBondContact O-N 3.31Å; K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.24Å
89A31.9Very low32Very low79 Ų79131.5 Ų131.565%0.65371%0.71SS**THydrogen-bonded Turntrans-74.7-14.4-178.800000114.6L85L85-A89 PolarHBondContact O-N 3.03Å
90L35.2Very low31.5Very low113 Ų113135.6 Ų135.659%0.59272%0.716SS**THydrogen-bonded Turntrans-99.2-1.3-174.7-69.9173.1000114.6K88 L92K88-L90 VanDerWaalsContact C-N 3.3Å; K88-L90 PolarHBondContact O-N 3.24Å; L90-L92 PolarHBondContact O-N 3.43Å
91N30.9Very low31.1Very low155 Ų155135.2 Ų135.283%0.82972%0.715SS**THydrogen-bonded Turntrans44.739.4174.8-119.13.7000114.5N93N91-N93 PolarHBondContact O-N 3.07Å
92L31.2Very low30.4Very low151 Ų151135 Ų13579%0.79172%0.722SS**  trans-86.3101.6169.6-71.3166.2000107.5L90 T94L90-L92 PolarHBondContact O-N 3.43Å; L92-T94 PolarHBondContact O-N 2.93Å
93N25.2Very low30.1Very low154 Ų154135.3 Ų135.382%0.82474%0.738SS**  trans-60.3123.3170.8-102.8-23000109.8N91N91-N93 PolarHBondContact O-N 3.07Å
94T29.3Very low29.6Very low108 Ų108143 Ų14366%0.66375%0.749SS**  trans-1.5115.5154.144.70000117.3L92L92-T94 PolarHBondContact O-N 2.93Å
95D27.6Very low29.2Very low138 Ų138146.5 Ų146.574%0.73876%0.759SS**  176.793.6106.8-84.5-23.3000110.3
96F25.5Very low29Very low215 Ų215151.3 Ų151.394%0.94377%0.77SS**  trans-142.394.2153.9-105.8-81.2000109.9
97V24.2Very low29Very low125 Ų125146.9 Ų146.976%0.75875%0.754SS**  trans-73135.8163.2165.90000108.6
98S28Very low28.8Very low95 Ų95151.2 Ų151.266%0.66476%0.763SS**  trans79.775.2161.4-63.20000119.7
99L29Very low28.5Very low177 Ų177152.5 Ų152.593%0.92777%0.765SS**  trans-112.838.1135.7-83.9168.3000110.9
100R27.2Very low28.3Very low226 Ų226155.2 Ų155.285%0.85376%0.764SS**  trans-75.4128.8150.7-91.3-175.3-179.1-178.61.1106.2
101Q29.7Very low28.1Very low186 Ų186155.8 Ų155.887%0.86976%0.762SS**  trans100.761.1173.1-53.7176.85.200116.7
102V22.7Very low28Very low135 Ų135152.3 Ų152.382%0.81875%0.747SS**  -140.8119.9129.1-172.30000108.2
103P30.1Very low28Very low110 Ų110150.2 Ų150.271%0.71474%0.736SS**  trans-10594.7-167.136.4-27.6000112.4
104Y24.1Very low28.2Very low225 Ų225149.8 Ų149.888%0.88273%0.727SS**  trans-143.4107157.7-93.2-81.7000110.5
105K27.3Very low28.1Very low194 Ų194152.8 Ų152.884%0.84373%0.727SS**  trans-57.9148.5-178.5-84.5176.4168.1-177.90112.6D107K105-D107 VanDerWaalsContact C-N 3.33Å; K105-D107 PolarHBondContact O-N 3.45Å
106Y28.2Very low28.3Very low217 Ų217150.1 Ų150.185%0.85171%0.713SS**  trans-39.286.9149.1-90.4-105.2000112.5
107D31.9Very low28.5Very low71 Ų71142.6 Ų142.638%0.3869%0.687SS.*  trans-124.4-1.2-179.3-15633.6000113.6K105 K111K105-D107 VanDerWaalsContact C-N 3.33Å; K105-D107 PolarHBondContact O-N 3.45Å; D107-K111 WeakPolarHBondContact O-CB 3.38Å; D107-K111 WeakPolarHBondContact O-CD 3.28Å; D107-K111 WeakPolarHBondContact O-CG 3.27Å; D107-K111 PolarHBondContact O-N 2.9Å; D107-K111 WeakPolarHBondContact OD2-CE 3.36Å; D107-K111 IonicContact OD2-NZ 3.57Å; D107-K111 PolarHBondContact OD2-NZ 3.47Å
108L29.8Very low28.9Very low145 Ų145141.3 Ų141.376%0.75968%0.675SS**Hα-helixtrans-88.8-27.7176.6-126.579.9000113.6T112L108-T112 PolarHBondContact O-N 3.1Å; L108-T112 PolarHBondContact O-OG1 3.25Å
109Y29.2Very low29Very low184 Ų184141.7 Ų141.772%0.72267%0.67SS**Hα-helixtrans-79.1-35.7176.6-151.5-97.9000111.6L113Y109-L113 HydrophobicContact CD1-CD1 3.87Å; Y109-L113 HydrophobicContact CE1-CD1 3.91Å; Y109-L113 PolarHBondContact O-N 3Å
110E28.7Very low29.1Very low135 Ų135140.1 Ų140.163%0.63166%0.661SS**Hα-helixtrans-74.4-37.9175.3-75.9-169159.400113T112 L113 K114E110-T112 VanDerWaalsContact C-N 3.3Å; E110-T112 PolarHBondContact O-N 3.34Å; E110-L113 PolarHBondContact O-N 3.04Å; E110-K114 WeakPolarHBondContact O-CB 3.35Å; E110-K114 PolarHBondContact O-N 3.24Å
111K30.5Very low29.4Very low125 Ų125135.9 Ų135.954%0.54366%0.656SS.*Hα-helixtrans-62.5-36.7174.1-86.1172.8173.6143.30112.8D107 Y115D107-K111 WeakPolarHBondContact O-CB 3.38Å; D107-K111 WeakPolarHBondContact O-CD 3.28Å; D107-K111 WeakPolarHBondContact O-CG 3.27Å; D107-K111 PolarHBondContact O-N 2.9Å; D107-K111 WeakPolarHBondContact OD2-CE 3.36Å; D107-K111 IonicContact OD2-NZ 3.57Å; D107-K111 PolarHBondContact OD2-NZ 3.47Å; K111-Y115 VanDerWaalsContact O-CB 3.32Å; K111-Y115 WeakPolarHBondContact O-CB 3.31Å; K111-Y115 PolarHBondContact O-N 3.27Å
112T28.5Very low29.4Very low83 Ų83130.7 Ų130.751%0.50964%0.64SS.*Hα-helixtrans-69.6-33.6176.5-48.70000111.4L108 E110 N116L108-T112 PolarHBondContact O-N 3.1Å; L108-T112 PolarHBondContact O-OG1 3.25Å; E110-T112 VanDerWaalsContact C-N 3.3Å; E110-T112 PolarHBondContact O-N 3.34Å; T112-N116 WeakPolarHBondContact O-CB 3.4Å; T112-N116 VanDerWaalsContact O-CG 3.27Å; T112-N116 PolarHBondContact O-ND2 3.13Å
113L30.7Very low29.7Very low106 Ų106131.5 Ų131.556%0.55564%0.64SS**Hα-helixtrans-78.9-34.2175.7-79.1162.6000113.3Y109 E110 N116 S117Y109-L113 HydrophobicContact CD1-CD1 3.87Å; Y109-L113 HydrophobicContact CE1-CD1 3.91Å; Y109-L113 PolarHBondContact O-N 3Å; E110-L113 PolarHBondContact O-N 3.04Å; L113-N116 PolarHBondContact O-N 3.46Å; L113-S117 WeakPolarHBondContact O-CB 3.26Å; L113-S117 PolarHBondContact O-N 2.93Å
114K30Very low29.8Very low146 Ų146137.7 Ų137.764%0.63565%0.649SS**Hα-helixtrans-74.4-39.8179.6-156.3170.2-174.8178.20112.4E110 N116 S117 D118E110-K114 WeakPolarHBondContact O-CB 3.35Å; E110-K114 PolarHBondContact O-N 3.24Å; K114-N116 PolarHBondContact O-N 2.88Å; K114-S117 PolarHBondContact O-N 3.45Å; K114-S117 VanDerWaalsContact O-N 3.12Å; K114-D118 PolarHBondContact O-N 3.38Å
115Y27.1Very low30.2Very low170 Ų170131.3 Ų131.367%0.66764%0.637SS**Hα-helixtrans-59.5-36.9171.4-172-97.8000112K111 L119K111-Y115 VanDerWaalsContact O-CB 3.32Å; K111-Y115 WeakPolarHBondContact O-CB 3.31Å; K111-Y115 PolarHBondContact O-N 3.27Å; Y115-L119 PolarHBondContact O-N 3.17Å
116N31.6Very low30Very low83 Ų83132.7 Ų132.744%0.44464%0.639SS.*Hα-helixtrans-77.3-25.2176.5-73.9-37.7000113.6T112 L113 K114 L120T112-N116 WeakPolarHBondContact O-CB 3.4Å; T112-N116 VanDerWaalsContact O-CG 3.27Å; T112-N116 PolarHBondContact O-ND2 3.13Å; L113-N116 PolarHBondContact O-N 3.46Å; K114-N116 PolarHBondContact O-N 2.88Å; N116-L120 WeakPolarHBondContact O-CD1 3.29Å; N116-L120 WeakPolarHBondContact O-CG 3.37Å
117S31.1Very low30.2Very low57 Ų57127.2 Ų127.240%0.39964%0.638SS.*Hα-helixtrans-75.8-39.6174.3173.40000112.3L113 K114 L120 N121L113-S117 WeakPolarHBondContact O-CB 3.26Å; L113-S117 PolarHBondContact O-N 2.93Å; K114-S117 PolarHBondContact O-N 3.45Å; K114-S117 VanDerWaalsContact O-N 3.12Å; S117-L120 PolarHBondContact O-N 2.98Å; S117-N121 PolarHBondContact O-N 3.47Å
118D31.5Very low30Very low97 Ų97127.2 Ų127.252%0.51965%0.654SS.*Hα-helixtrans-75.9-27.5-178.6-66.1-22.4000112.1K114 L120 N121 S122K114-D118 PolarHBondContact O-N 3.38Å; D118-L120 VanDerWaalsContact C-N 3.31Å; D118-N121 PolarHBondContact O-N 3.15Å; D118-S122 PolarHBondContact O-OG 3.2Å; D118-S122 VanDerWaalsContact O-OG 3.08Å
119L29.9Very low29.8Very low104 Ų104130.5 Ų130.555%0.54566%0.663SS.*Hα-helixtrans-71.1-25.8171.3-150.279000112.6Y115Y115-L119 PolarHBondContact O-N 3.17Å
120L31.8Very low30.1Very low143 Ų143130.7 Ų130.775%0.74967%0.67SS**Hα-helixtrans-79.1-22.5176.3-82.6165.4000113.3N116 S117 D118N116-L120 WeakPolarHBondContact O-CD1 3.29Å; N116-L120 WeakPolarHBondContact O-CG 3.37Å; S117-L120 PolarHBondContact O-N 2.98Å; D118-L120 VanDerWaalsContact C-N 3.31Å
121N33.7Very low29.9Very low137 Ų137131 Ų13173%0.73368%0.681SS**Hα-helixtrans-97.5-7.5-178.6-77.9-27.9000114.8S117 D118S117-N121 PolarHBondContact O-N 3.47Å; D118-N121 PolarHBondContact O-N 3.15Å
122S29.4Very low30.3Very low78 Ų78132.7 Ų132.755%0.54570%0.696SS.*SBendtrans-98.1-5-17547.60000115.9D118D118-S122 PolarHBondContact O-OG 3.2Å; D118-S122 VanDerWaalsContact O-OG 3.08Å
123N28.1Very low30.5Very low152 Ų152137.5 Ų137.581%0.81371%0.713SS**  trans-106.454.9177.7-85-33.9000113.8
124R33.6Very low30.2Very low240 Ų240138 Ų13891%0.90672%0.724SS**SBendtrans-118.7112.2151.7-136.8-178.9-158.3178.55.5107.4
125S31.1Very low30.1Very low90 Ų90137.8 Ų137.863%0.62973%0.73SS**SBendtrans94.992175.7-162.70000115.8
126Y23.9Very low30.3Very low224 Ų224137.7 Ų137.788%0.87874%0.736SS**  178.6128.7102.7-105.2-84.3000109.8
127A31.7Very low30.2Very low102 Ų102142.7 Ų142.784%0.84375%0.754SS**  trans-73.8138.2171.800000110.2
128G27.7Very low30.1Very low70 Ų70142.2 Ų142.272%0.72276%0.758SS**  trans144.2113.1159.100000116.3
129K27.1Very low30Very low214 Ų214145.4 Ų145.493%0.9377%0.767SS**  trans85.4132.9153.4-60.7-178.1178.91790118.7
130Q35.3Very low30Very low188 Ų188143.6 Ų143.688%0.87977%0.767SS**  trans-62.3145.4-176.4-70.3161.6-34.100113.2
131T23.8Very low29.8Very low141 Ų141143.3 Ų143.387%0.86577%0.766SS**  -169.9149.7121.921.70000109.4
132D38.3Very low29.4Very low161 Ų161143.9 Ų143.986%0.86177%0.768SS**  trans-60164.4-165.2-68.7-63.6000116.4
133E32.6Very low29.3Very low184 Ų184150.2 Ų150.286%0.8678%0.782SS**  trans10073.6177.5-61.2-172.317100116.6
134C25.8Very low29.2Very low117 Ų117150.1 Ų150.179%0.79178%0.78SS**  trans-112.7101.5155.1-161.30000109.1
135N27.7Very low28.9Very low141 Ų141148 Ų14875%0.75478%0.778SS**  trans-63.9143.7175.1-74.8-24.2000110.9F137N135-F137 PolarHBondContact O-N 3.4Å
136E31.5Very low28.8Very low168 Ų168152.1 Ų152.179%0.78579%0.787SS**G310 helixtrans-54.62.3-163.3-67.5-166.4128.700118.6G138E136-G138 VanDerWaalsContact C-N 3.33Å; E136-G138 PolarHBondContact O-N 3.05Å
137F28.8Very low28.9Very low189 Ų189150.7 Ų150.783%0.82979%0.788SS**G310 helixtrans-69.7-26.8175.3-107-92.9000113.8N135 K139N135-F137 PolarHBondContact O-N 3.4Å; F137-K139 VanDerWaalsContact C-N 3.32Å; F137-K139 PolarHBondContact O-N 3.35Å
138G28.6Very low28.9Very low47 Ų47155.4 Ų155.449%0.48579%0.79SS.*G310 helixtrans-70-22.9-178.600000114.7E136E136-G138 VanDerWaalsContact C-N 3.33Å; E136-G138 PolarHBondContact O-N 3.05Å
139K30.5Very low28.8Very low163 Ų163158.2 Ų158.271%0.70979%0.793SS**G310 helixtrans-82.2-22.5-178-69.5178.9-178.1171.80113.3F137F137-K139 VanDerWaalsContact C-N 3.32Å; F137-K139 PolarHBondContact O-N 3.35Å
140A29.2Very low28.6Very low66 Ų66156.8 Ų156.855%0.54579%0.789SS.*G310 helixtrans-75.8-25.5-173.800000114.2
141L27.1Very low28.1Very low137 Ų137153.2 Ų153.272%0.71779%0.792SS**G310 helixtrans-78.1-18.5-175.5-86.6162.1000114.4Y143L141-Y143 VanDerWaalsContact C-N 3.33Å; L141-Y143 PolarHBondContact O-N 3.06Å
142L26.6Very low28.1Very low150 Ų150149.8 Ų149.879%0.78578%0.784SS**G310 helixtrans-74.8-20.1-179.8-87.5160.4000113.6
143Y25.6Very low27.4Very low211 Ų211148.9 Ų148.983%0.82778%0.784SS**G310 helixtrans-84.5-12.4-175.6-112.5-86.4000114.8L141L141-Y143 VanDerWaalsContact C-N 3.33Å; L141-Y143 PolarHBondContact O-N 3.06Å
144L27.4Very low27.1Very low150 Ų150148.1 Ų148.179%0.78578%0.781SS**G310 helixtrans-90.60.1-173.2-83.9160.2000114.8
145K25.8Very low26.8Very low196 Ų196153.4 Ų153.485%0.85279%0.785SS**G310 helixtrans-98.6-1.7-175-140.4176.5-174.9178.20115.1
146Q30Very low26.8Very low175 Ų175150.4 Ų150.482%0.81878%0.776SS**  trans-126.898.7179.1-73.8179.1-13.400109.4
147E26.1Very low26.3Very low195 Ų195151.5 Ų151.591%0.91178%0.781SS**  trans168.674.3144.3-92175.3-163.200109.6
148K31.1Very low26.2Very low201 Ų201153 Ų15387%0.87478%0.783SS**  trans-106.6108.6145.1-84.5-175177.6-179.80105.6
149T25.3Very low26Very low128 Ų128158 Ų15879%0.78580%0.798SS**SBendtrans171131.1135.435.90000111.8
150H24.2Very low26.3Very low185 Ų185159 Ų15986%0.85680%0.803SS**  trans6792.6160.4-66.3-69.2000120.5
151A24.9Very low26.4Very low113 Ų113163.6 Ų163.693%0.93482%0.818SS**  trans-82.2132.2149.300000109.8
152G24.1Very low26.7Very low68 Ų68160.9 Ų160.970%0.70182%0.823SS**  trans-139.1143.2165.800000109.4
153V22.9Very low27Very low142 Ų142163.6 Ų163.686%0.86183%0.828SS**  trans9797.9170.1-163.80000116.9
154E25.8Very low27.4Very low169 Ų169158.1 Ų158.179%0.7983%0.827SS**  trans-48144.5152.2-111.1173156.800113.9
155Y20.4Very low27.9Very low227 Ų227158.6 Ų158.689%0.8983%0.829SS**  trans-145.7125137.2-110.7-84.6000109.4
156S26.7Very low28.2Very low79 Ų79153.9 Ų153.955%0.55282%0.821SS**  trans-107.3136.8175.756.70000109.4
157E21.9Very low28.4Very low191 Ų191152.4 Ų152.489%0.89381%0.814SS**  trans-136.5122.6160.2-80.3-169.8159.600109.2
158Y25.3Very low28.4Very low220 Ų220150.3 Ų150.386%0.86380%0.802SS**  trans-102.6146.5171.9-73.5-89.1000109.8
159N25.2Very low28.2Very low151 Ų151144 Ų14481%0.80779%0.788SS**  trans-138.1144.1150.3-163.73.7000112.3N161N159-N161 PolarHBondContact O-N 3.3Å
160K36.3Very low28.4Very low185 Ų185140.9 Ų140.980%0.80478%0.775SS**SBendtrans-70.195.5-170.6-61.2167.2179.8175.50111
161N31.7Very low28.7Very low163 Ų163135.4 Ų135.487%0.87275%0.751SS**SBendtrans179.637.7143.5-85.9-12000112.3N159 K163N159-N161 PolarHBondContact O-N 3.3Å; N161-K163 PolarHBondContact O-N 3.29Å
162G33.9Very low28.8Very low80 Ų80136 Ų13683%0.82573%0.732SS**SBendtrans69.94.3140.600000120.5
163K32.7Very low29.2Very low206 Ų206140.7 Ų140.790%0.89673%0.733SS**  trans-145.899167.2-76-170.1178.7177.10112.8N161N161-K163 PolarHBondContact O-N 3.29Å
164A34.8Very low29.4Very low96 Ų96140.5 Ų140.579%0.79372%0.723SS**  trans-155.346.2162.800000113.8
165L36Very low29.5Very low160 Ų160137 Ų13784%0.83871%0.707SS**  trans-145.579.4171.4-79.5169.9000111.7
166S33.5Very low30Very low98 Ų98133.7 Ų133.769%0.68570%0.697SS**SBendtrans-144.7-27.1156.773.90000112.4
167H32.8Very low30.3Very low144 Ų144135.4 Ų135.467%0.66770%0.699SS**Hα-helixtrans-76.3-33.6179.8-135-100.3000113.2I171H167-I171 WeakPolarHBondContact ND1-CD1 3.38Å; H167-I171 VanDerWaalsContact O-CB 3.3Å; H167-I171 WeakPolarHBondContact O-CB 3.49Å; H167-I171 VanDerWaalsContact O-CD1 3.28Å; H167-I171 WeakPolarHBondContact O-CD1 3.28Å; H167-I171 WeakPolarHBondContact O-CG1 3.36Å; H167-I171 PolarHBondContact O-N 3.12Å
168K27Very low31Very low151 Ų151132.8 Ų132.866%0.65768%0.684SS**Hα-helixtrans-71.9-36.5-178.2-100.9-177.3177.8179.20113.8I171 F172K168-I171 PolarHBondContact O-N 3.31Å; K168-F172 WeakPolarHBondContact O-CB 3.43Å; K168-F172 WeakPolarHBondContact O-CD2 3.43Å; K168-F172 PolarHBondContact O-N 3.35Å
169A27.3Very low31.6Very low69 Ų69129 Ų12957%0.5768%0.679SS**Hα-helixtrans-73-35.4179.100000112.4F172 K173A169-F172 PolarHBondContact O-N 3.35Å; A169-K173 PolarHBondContact O-N 3.04Å
170A28.8Very low32.5Very low62 Ų62129.4 Ų129.451%0.51268%0.68SS.*Hα-helixtrans-68.9-40.3170.600000111.6F172 K173 H174A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.27Å; A170-K173 PolarHBondContact O-N 2.89Å; A170-H174 VanDerWaalsContact O-CB 3.3Å; A170-H174 WeakPolarHBondContact O-CB 3.39Å; A170-H174 PolarHBondContact O-N 2.79Å
171I30Very low32.9Very low69 Ų69124.3 Ų124.335%0.35467%0.665SS.*Hα-helixtrans-61-41.4170.7-71.4165000110.7H167 K168 H174 Q175H167-I171 WeakPolarHBondContact ND1-CD1 3.38Å; H167-I171 VanDerWaalsContact O-CB 3.3Å; H167-I171 WeakPolarHBondContact O-CB 3.49Å; H167-I171 VanDerWaalsContact O-CD1 3.28Å; H167-I171 WeakPolarHBondContact O-CD1 3.28Å; H167-I171 WeakPolarHBondContact O-CG1 3.36Å; H167-I171 PolarHBondContact O-N 3.12Å; K168-I171 PolarHBondContact O-N 3.31Å; I171-H174 CarbonylContact O-C 3.55Å; I171-H174 PolarHBondContact O-N 3.1Å; I171-Q175 HydrophobicContact CG2-CG 4.18Å; I171-Q175 VanDerWaalsContact O-CB 3.23Å; I171-Q175 WeakPolarHBondContact O-CB 3.39Å; I171-Q175 VanDerWaalsContact O-CG 3.28Å; I171-Q175 WeakPolarHBondContact O-CG 3.35Å; I171-Q175 PolarHBondContact O-N 3.38Å
172F27.9Very low33.7Very low125 Ų125124.8 Ų124.855%0.54866%0.662SS.*Hα-helixtrans-68.7-35.8177.4-105-85000113K168 A169 A170 Q175 K176K168-F172 WeakPolarHBondContact O-CB 3.43Å; K168-F172 WeakPolarHBondContact O-CD2 3.43Å; K168-F172 PolarHBondContact O-N 3.35Å; A169-F172 PolarHBondContact O-N 3.35Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.27Å; F172-Q175 PolarHBondContact O-N 3.36Å; F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.31Å
173K32.5Very low34.9Very low167 Ų167124 Ų12473%0.72664%0.642SS**Hα-helixtrans-67.2-40.9169.9-94.5-175.7174.6179.90111.7A169 A170 Q175 K176 I177A169-K173 PolarHBondContact O-N 3.04Å; A170-K173 PolarHBondContact O-N 2.89Å; K173-Q175 VanDerWaalsContact C-N 3.32Å; K173-Q175 PolarHBondContact O-N 3.49Å; K173-K176 PolarHBondContact O-N 3.21Å; K173-I177 WeakPolarHBondContact O-CG1 3.46Å; K173-I177 PolarHBondContact O-N 2.83Å
174H27.7Very low36.4Very low139 Ų139117.8 Ų117.864%0.64462%0.615SS**Hα-helixtrans-69.7-28.6176.2-159.574.1000112.6A170 I171A170-H174 VanDerWaalsContact O-CB 3.3Å; A170-H174 WeakPolarHBondContact O-CB 3.39Å; A170-H174 PolarHBondContact O-N 2.79Å; I171-H174 CarbonylContact O-C 3.55Å; I171-H174 PolarHBondContact O-N 3.1Å
175Q26.9Very low37.8Very low95 Ų95117.5 Ų117.544%0.44460%0.599SS.*Hα-helixtrans-83-28.7174.2-78.2176.1-22.800113.3I171 F172 K173 K178I171-Q175 HydrophobicContact CG2-CG 4.18Å; I171-Q175 VanDerWaalsContact O-CB 3.23Å; I171-Q175 WeakPolarHBondContact O-CB 3.39Å; I171-Q175 VanDerWaalsContact O-CG 3.28Å; I171-Q175 WeakPolarHBondContact O-CG 3.35Å; I171-Q175 PolarHBondContact O-N 3.38Å; F172-Q175 PolarHBondContact O-N 3.36Å; K173-Q175 VanDerWaalsContact C-N 3.32Å; K173-Q175 PolarHBondContact O-N 3.49Å; Q175-K178 WeakPolarHBondContact O-CB 3.46Å; Q175-K178 PolarHBondContact O-N 3.14Å
176K31.2Very low39.7Very low157 Ų157109.9 Ų109.968%0.68356%0.559SS**Hα-helixtrans-75-28.8175-97.2-175.9171.8-178.80113.6F172 K173 K178F172-K176 WeakPolarHBondContact O-CB 3.48Å; F172-K176 PolarHBondContact O-N 3.31Å; K173-K176 PolarHBondContact O-N 3.21Å; K176-K178 VanDerWaalsContact C-N 3.26Å; K176-K178 PolarHBondContact O-N 2.76Å
177I33.5Very low41.8Very low115 Ų115110.1 Ų110.159%0.5956%0.557SS**G310 helixtrans-73.7-20.4172.8-62.3169.2000111.4K173 N179K173-I177 WeakPolarHBondContact O-CG1 3.46Å; K173-I177 PolarHBondContact O-N 2.83Å; I177-N179 PolarHBondContact O-N 3.42Å
178K36.3Very low43.7Very low136 Ų136110 Ų11059%0.59155%0.551SS**G310 helixtrans-65.5-16.2175.5-89.8-176.5171.2-173.10114.9Q175 K176Q175-K178 WeakPolarHBondContact O-CB 3.46Å; Q175-K178 PolarHBondContact O-N 3.14Å; K176-K178 VanDerWaalsContact C-N 3.26Å; K176-K178 PolarHBondContact O-N 2.76Å
179N37.6Very low46.3Very low142 Ų142105 Ų10576%0.75954%0.535SS*.G310 helixtrans-107.310.5-170.9-70.2-11.6000114.6I177I177-N179 PolarHBondContact O-N 3.42Å
180L43.8Very low48.4Very low158 Ų158107.8 Ų107.883%0.82754%0.54SS*.SBendtrans-124.3-4.5179.8-83.7154.1000114.4
181V43.9Very low50.1Low79 Ų79110.8 Ų110.848%0.47954%0.542SS..SBendtrans-136.2126176.5-175.10000107.8P183V181-P183 WeakPolarHBondContact O-CD 3.44Å; V181-P183 VanDerWaalsContact O-N 3.1Å
182Q48.9Very low51.3Low173 Ų173110.3 Ų110.381%0.80855%0.548SS*.  trans-54.6117.9172.8-173.8174.95.900108.6F184Q182-F184 PolarHBondContact O-N 2.81Å
183P60Low52.8Low62 Ų62106.4 Ų106.440%0.40353%0.531SS..  trans-66.3135.8-17421.3-29.2000111V181 I185 A192V181-P183 WeakPolarHBondContact O-CD 3.44Å; V181-P183 VanDerWaalsContact O-N 3.1Å; P183-I185 PolarHBondContact O-N 2.81Å; P183-A192 HydrophobicContact CB-CB 3.84Å
184F63.8Low53.7Low76 Ų76101 Ų10133%0.33352%0.515SS..EExtended strand (participates in β ladder)trans-77.4110.5173.5-66.6-79.9000108.9Q182 F193 K196 L199Q182-F184 PolarHBondContact O-N 2.81Å; F184-F193 PolarHBondContact N-O 3.06Å; F184-F193 PolarHBondContact O-N 3.23Å; F184-K196 HydrophobicContact CD1-CB 4.02Å; F184-K196 HydrophobicContact CD1-CG 4.28Å; F184-K196 HydrophobicContact CD2-CB 4.35Å; F184-K196 VanDerWaalsContact CD2-N 3.31Å; F184-K196 HydrophobicContact CE1-CB 3.82Å; F184-K196 HydrophobicContact CE1-CD 4.38Å; F184-K196 HydrophobicContact CE1-CG 4.21Å; F184-K196 HydrophobicContact CE2-CB 4.16Å; F184-K196 HydrophobicContact CG-CB 4.28Å; F184-K196 HydrophobicContact CZ-CB 3.89Å; F184-L199 HydrophobicContact CB-CB 4Å; F184-L199 HydrophobicContact CB-CD2 3.74Å; F184-L199 HydrophobicContact CB-CG 4.45Å
185I64.6Low55Low91 Ų9199.6 Ų99.647%0.46751%0.506SS..EExtended strand (participates in β ladder)trans-95.6136.5-173.9-57.5173000110.8P183 T187 D190 K191 L199P183-I185 PolarHBondContact O-N 2.81Å; I185-T187 PolarHBondContact O-N 3.1Å; I185-D190 HydrophobicContact CG2-CB 4.42Å; I185-K191 WeakPolarHBondContact CA-O 3.45Å; I185-L199 WeakPolarHBondContact O-CD2 3.48Å
186C74.9Confident56.5Low0 Ų0101 Ų1010%051%0.511CS..  trans-77.5118.3172.5-1750000111.6Y188 C189 D190 K191 F193 L199 H202C186-Y188 PolarHBondContact O-N 2.83Å; C186-Y188 VanDerWaalsContact O-N 3.08Å; C186-C189 PolarHBondContact O-N 3.02Å; C186-D190 VanDerWaalsContact O-CA 3.25Å; C186-D190 WeakPolarHBondContact O-CA 3.43Å; C186-D190 PolarHBondContact O-N 2.84Å; C186-K191 PolarHBondContact N-O 3.47Å; C186-F193 HydrophobicContact CB-CE2 4.18Å; C186-L199 VanDerWaalsContact CA-CD1 3.44Å; C186-L199 HydrophobicContact CB-CD1 3.59Å; C186-H202 PolarHBondContact SG-CD2 3.28Å; C186-H202 PolarHBondContact SG-NE2 2.89Å; C186-H202 VanDerWaalsContact SG-NE2 3.4Å
187T78.4Confident57.9Low102 Ų10294.9 Ų94.963%0.62649%0.488SS*.THydrogen-bonded Turntrans-64.5-11.3178.854.10000114.9I185I185-T187 PolarHBondContact O-N 3.1Å
188Y72.9Confident59.1Low142 Ų14292.5 Ų92.556%0.55748%0.476SS*.THydrogen-bonded Turntrans-100-23.5-179.1-65.2-80.5000113.8C186 H206 T207C186-Y188 PolarHBondContact O-N 2.83Å; C186-Y188 VanDerWaalsContact O-N 3.08Å; Y188-H206 HydrophobicContact CD1-CB 4.24Å; Y188-H206 HydrophobicContact CD2-CB 3.89Å; Y188-H206 HydrophobicContact CE2-CB 4.38Å; Y188-H206 HydrophobicContact CG-CB 3.81Å; Y188-H206 AromaticContact CG-CG 3.86Å; Y188-T207 HydrophobicContact CE2-CG2 4.46Å
189C80.1Confident60.6Low46 Ų4686.7 Ų86.731%0.31145%0.451SS..THydrogen-bonded Turntrans-151.615.1-17476.30000114.2C186 K191 H202 H206C186-C189 PolarHBondContact O-N 3.02Å; C189-K191 PolarHBondContact O-N 3.37Å; C189-H202 PolarHBondContact SG-NE2 3.06Å; C189-H206 PolarHBondContact SG-NE2 2.74Å
190D73.4Confident62.2Low128 Ų12883.7 Ų83.768%0.68444%0.435SS*.  trans52.520.6175.3-55-42.4000116.1I185 C186I185-D190 HydrophobicContact CG2-CB 4.42Å; C186-D190 VanDerWaalsContact O-CA 3.25Å; C186-D190 WeakPolarHBondContact O-CA 3.43Å; C186-D190 PolarHBondContact O-N 2.84Å
191K63.2Low63.3Low124 Ų12477.1 Ų77.154%0.53940%0.402SS..  trans-73.5130.4174.5-75.1-177.6-177.1-178.90110I185 C186 C189 F193I185-K191 WeakPolarHBondContact CA-O 3.45Å; C186-K191 PolarHBondContact N-O 3.47Å; C189-K191 PolarHBondContact O-N 3.37Å; K191-F193 HydrophobicContact CB-CE2 3.67Å; K191-F193 HydrophobicContact CB-CZ 3.87Å; K191-F193 WeakPolarHBondContact O-CD2 3Å; K191-F193 VanDerWaalsContact O-CE2 3.26Å; K191-F193 WeakPolarHBondContact O-CE2 3.42Å
192A56.5Low64.7Low59 Ų5974.3 Ų74.349%0.48838%0.384SS..EExtended strand (participates in β ladder)trans-91.4135.3177.500000111.6P183P183-A192 HydrophobicContact CB-CB 3.84Å
193F58.1Low65.8Low43 Ų4369.2 Ų69.219%0.18936%0.359CS..EExtended strand (participates in β ladder)trans-123.3146.8178-61.2-88.3000110.5F184 C186 K191 F195 L198 L199 H202F184-F193 PolarHBondContact N-O 3.06Å; F184-F193 PolarHBondContact O-N 3.23Å; C186-F193 HydrophobicContact CB-CE2 4.18Å; K191-F193 HydrophobicContact CB-CE2 3.67Å; K191-F193 HydrophobicContact CB-CZ 3.87Å; K191-F193 WeakPolarHBondContact O-CD2 3Å; K191-F193 VanDerWaalsContact O-CE2 3.26Å; K191-F193 WeakPolarHBondContact O-CE2 3.42Å; F193-F195 VanDerWaalsContact C-N 3.3Å; F193-L198 HydrophobicContact CB-CB 4.16Å; F193-L198 HydrophobicContact CD1-CB 3.9Å; F193-L198 HydrophobicContact CG-CB 4.32Å; F193-L199 HydrophobicContact CB-CB 4.21Å; F193-L199 HydrophobicContact CD2-CB 3.96Å; F193-L199 HydrophobicContact CD2-CD1 3.74Å; F193-L199 HydrophobicContact CD2-CG 4.46Å; F193-L199 HydrophobicContact CE2-CD1 3.99Å; F193-L199 HydrophobicContact CG-CB 4.22Å; F193-H202 HydrophobicContact CE1-CB 3.78Å; F193-H202 AromaticContact CE1-CG 3.94Å; F193-H202 HydrophobicContact CE2-CB 3.88Å; F193-H202 AromaticContact CE2-CD2 3.39Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.48Å; F193-H202 AromaticContact CE2-CG 3.57Å; F193-H202 HydrophobicContact CZ-CB 3.4Å; F193-H202 AromaticContact CZ-CD2 3.41Å; F193-H202 VanDerWaalsContact CZ-CD2 3.41Å; F193-H202 WeakPolarHBondContact CZ-CD2 3.27Å; F193-H202 AromaticContact CZ-CG 3.1Å; F193-H202 AromaticContact CZ-ND1 3.52Å; F193-H202 AromaticContact CZ-NE2 3.96Å
194S52.4Low66.8Low55 Ų5568.5 Ų68.539%0.38535%0.348SS..SBendtrans-73.8-21.1177.852.60000113.3
195F54Low67.3Low108 Ų10870.7 Ų70.747%0.47436%0.362SS..SBendtrans-136.5148.5-178-58.4-75.4000111.6F193 S197 L198 L199F193-F195 VanDerWaalsContact C-N 3.3Å; F195-S197 VanDerWaalsContact C-N 3.31Å; F195-S197 PolarHBondContact O-N 3.31Å; F195-L198 HydrophobicContact CB-CD1 4.39Å; F195-L198 HydrophobicContact CB-CG 4.31Å; F195-L198 HydrophobicContact CD2-CD1 3.93Å; F195-L198 PolarHBondContact O-N 3.18Å; F195-L199 PolarHBondContact O-N 3.15Å
196K58.9Low67.9Low125 Ų12569.9 Ų69.954%0.54336%0.356SS..Hα-helixtrans-63.6-36.2177.6-169.9178.4177.9-178.80111.8F184 L198 L199 I200F184-K196 HydrophobicContact CD1-CB 4.02Å; F184-K196 HydrophobicContact CD1-CG 4.28Å; F184-K196 HydrophobicContact CD2-CB 4.35Å; F184-K196 VanDerWaalsContact CD2-N 3.31Å; F184-K196 HydrophobicContact CE1-CB 3.82Å; F184-K196 HydrophobicContact CE1-CD 4.38Å; F184-K196 HydrophobicContact CE1-CG 4.21Å; F184-K196 HydrophobicContact CE2-CB 4.16Å; F184-K196 HydrophobicContact CG-CB 4.28Å; F184-K196 HydrophobicContact CZ-CB 3.89Å; K196-L198 PolarHBondContact O-N 3.36Å; K196-L199 PolarHBondContact O-N 3.07Å; K196-I200 HydrophobicContact CG-CD1 4.02Å; K196-I200 HydrophobicContact CG-CG1 4.45Å; K196-I200 VanDerWaalsContact O-CG1 3.3Å; K196-I200 WeakPolarHBondContact O-CG1 3.37Å; K196-I200 PolarHBondContact O-N 2.77Å
197S61.1Low68.1Low28 Ų2872.8 Ų72.820%0.19637%0.374CS..Hα-helixtrans-58.6-44.517657.60000112.3F195 I200 S201F195-S197 VanDerWaalsContact C-N 3.31Å; F195-S197 PolarHBondContact O-N 3.31Å; S197-I200 PolarHBondContact O-N 2.93Å; S197-S201 WeakPolarHBondContact O-CB 3.5Å; S197-S201 PolarHBondContact O-N 3.35Å
198L58.7Low68Low66 Ų6670.1 Ų70.135%0.34637%0.367SS..Hα-helixtrans-65.9-39.8176.3-65.8179.3000111.8F193 F195 K196 S201 H202F193-L198 HydrophobicContact CB-CB 4.16Å; F193-L198 HydrophobicContact CD1-CB 3.9Å; F193-L198 HydrophobicContact CG-CB 4.32Å; F195-L198 HydrophobicContact CB-CD1 4.39Å; F195-L198 HydrophobicContact CB-CG 4.31Å; F195-L198 HydrophobicContact CD2-CD1 3.93Å; F195-L198 PolarHBondContact O-N 3.18Å; K196-L198 PolarHBondContact O-N 3.36Å; L198-S201 PolarHBondContact O-N 3.3Å; L198-H202 WeakPolarHBondContact O-CB 3.34Å; L198-H202 PolarHBondContact O-N 3.37Å
199L67.8Low68.2Low13 Ų1368.7 Ų68.77%0.06837%0.365CS..Hα-helixtrans-63.2-47.2173.6172.461.6000111.5F184 I185 C186 F193 F195 K196 S201 H202 K203F184-L199 HydrophobicContact CB-CB 4Å; F184-L199 HydrophobicContact CB-CD2 3.74Å; F184-L199 HydrophobicContact CB-CG 4.45Å; I185-L199 WeakPolarHBondContact O-CD2 3.48Å; C186-L199 VanDerWaalsContact CA-CD1 3.44Å; C186-L199 HydrophobicContact CB-CD1 3.59Å; F193-L199 HydrophobicContact CB-CB 4.21Å; F193-L199 HydrophobicContact CD2-CB 3.96Å; F193-L199 HydrophobicContact CD2-CD1 3.74Å; F193-L199 HydrophobicContact CD2-CG 4.46Å; F193-L199 HydrophobicContact CE2-CD1 3.99Å; F193-L199 HydrophobicContact CG-CB 4.22Å; F195-L199 PolarHBondContact O-N 3.15Å; K196-L199 PolarHBondContact O-N 3.07Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 2.93Å; L199-H202 PolarHBondContact O-N 3.21Å; L199-K203 HydrophobicContact CD1-CD 4.49Å; L199-K203 HydrophobicContact CD1-CG 4.16Å; L199-K203 HydrophobicContact CG-CD 4.47Å; L199-K203 WeakPolarHBondContact O-CG 3.03Å; L199-K203 PolarHBondContact O-N 2.82Å
200I70.8Confident68.3Low79 Ų7972 Ų7241%0.40537%0.374SS..Hα-helixtrans-59-46177.7-70.7166000109.9K196 S197 H202 K203 R204K196-I200 HydrophobicContact CG-CD1 4.02Å; K196-I200 HydrophobicContact CG-CG1 4.45Å; K196-I200 VanDerWaalsContact O-CG1 3.3Å; K196-I200 WeakPolarHBondContact O-CG1 3.37Å; K196-I200 PolarHBondContact O-N 2.77Å; S197-I200 PolarHBondContact O-N 2.93Å; I200-H202 VanDerWaalsContact C-N 3.31Å; I200-H202 PolarHBondContact O-N 2.82Å; I200-K203 PolarHBondContact O-N 3.34Å; I200-R204 PolarHBondContact O-N 3.22Å
201S67.4Low68.5Low21 Ų2169.5 Ų69.515%0.14737%0.365CS..Hα-helixtrans-66.3-34.7178.4-164.10000112.8S197 L198 L199 R204 H223S197-S201 WeakPolarHBondContact O-CB 3.5Å; S197-S201 PolarHBondContact O-N 3.35Å; L198-S201 PolarHBondContact O-N 3.3Å; L199-S201 VanDerWaalsContact C-N 3.3Å; L199-S201 PolarHBondContact O-N 2.93Å; S201-R204 WeakPolarHBondContact O-CB 3.11Å; S201-R204 PolarHBondContact O-N 3.31Å; S201-H223 PolarHBondContact OG-CE1 3.34Å; S201-H223 PolarHBondContact OG-ND1 3.08Å
202H72.5Confident69.2Low19 Ų1967.1 Ų67.19%0.08835%0.353CS..Hα-helixtrans-68.7-38.6174.4168.873.1000112.2C186 C189 F193 L198 L199 I200 R204 I205 H206C186-H202 PolarHBondContact SG-CD2 3.28Å; C186-H202 PolarHBondContact SG-NE2 2.89Å; C186-H202 VanDerWaalsContact SG-NE2 3.4Å; C189-H202 PolarHBondContact SG-NE2 3.06Å; F193-H202 HydrophobicContact CE1-CB 3.78Å; F193-H202 AromaticContact CE1-CG 3.94Å; F193-H202 HydrophobicContact CE2-CB 3.88Å; F193-H202 AromaticContact CE2-CD2 3.39Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.48Å; F193-H202 AromaticContact CE2-CG 3.57Å; F193-H202 HydrophobicContact CZ-CB 3.4Å; F193-H202 AromaticContact CZ-CD2 3.41Å; F193-H202 VanDerWaalsContact CZ-CD2 3.41Å; F193-H202 WeakPolarHBondContact CZ-CD2 3.27Å; F193-H202 AromaticContact CZ-CG 3.1Å; F193-H202 AromaticContact CZ-ND1 3.52Å; F193-H202 AromaticContact CZ-NE2 3.96Å; L198-H202 WeakPolarHBondContact O-CB 3.34Å; L198-H202 PolarHBondContact O-N 3.37Å; L199-H202 PolarHBondContact O-N 3.21Å; I200-H202 VanDerWaalsContact C-N 3.31Å; I200-H202 PolarHBondContact O-N 2.82Å; H202-R204 PolarHBondContact O-N 3.16Å; H202-R204 VanDerWaalsContact O-N 3.15Å; H202-I205 VanDerWaalsContact O-CB 3.29Å; H202-I205 WeakPolarHBondContact O-CB 3.43Å; H202-I205 WeakPolarHBondContact O-CG1 3.25Å; H202-I205 PolarHBondContact O-N 3.3Å; H202-H206 AromaticContact CE1-NE2 3.66Å; H202-H206 AromaticContact NE2-CD2 3.79Å; H202-H206 AromaticContact NE2-NE2 3.18Å; H202-H206 PolarHBondContact NE2-NE2 3Å; H202-H206 VanDerWaalsContact NE2-NE2 3.18Å
203K72.4Confident70.6Confident67 Ų6768.3 Ų68.329%0.29135%0.349SS..Hα-helixtrans-57.2-28.6176.8-78.7-177.9174.7-169.70112.6L199 I200 I205 H206 T207L199-K203 HydrophobicContact CD1-CD 4.49Å; L199-K203 HydrophobicContact CD1-CG 4.16Å; L199-K203 HydrophobicContact CG-CD 4.47Å; L199-K203 WeakPolarHBondContact O-CG 3.03Å; L199-K203 PolarHBondContact O-N 2.82Å; I200-K203 PolarHBondContact O-N 3.34Å; K203-I205 PolarHBondContact O-N 3.13Å; K203-I205 VanDerWaalsContact O-N 3.13Å; K203-H206 PolarHBondContact O-N 3.17Å; K203-T207 PolarHBondContact O-N 3.47Å; K203-T207 PolarHBondContact O-OG1 3.26Å
204R81.4Confident71.9Confident46 Ų4666.3 Ų66.317%0.17434%0.34CS..Hα-helixtrans-58.3-22.9173.4-60.1179.3-176.7158.54.5113.9I200 S201 H202 H206 T207 G208 E209 S222I200-R204 PolarHBondContact O-N 3.22Å; S201-R204 WeakPolarHBondContact O-CB 3.11Å; S201-R204 PolarHBondContact O-N 3.31Å; H202-R204 PolarHBondContact O-N 3.16Å; H202-R204 VanDerWaalsContact O-N 3.15Å; R204-H206 VanDerWaalsContact C-N 3.33Å; R204-T207 WeakPolarHBondContact CA-OG1 3.37Å; R204-G208 WeakPolarHBondContact O-CA 3.15Å; R204-G208 PolarHBondContact O-N 3.04Å; R204-E209 HydrophobicContact CB-CB 4.48Å; R204-E209 HydrophobicContact CG-CB 4.25Å; R204-S222 WeakPolarHBondContact CD-O 3.38Å; R204-S222 PolarHBondContact NH1-O 3.15Å
205I74.5Confident73.5Confident122 Ų12269.8 Ų69.863%0.62635%0.354SS*.Hα-helixtrans-68.4-36.8174.3-58.6176.2000110.5H202 K203H202-I205 VanDerWaalsContact O-CB 3.29Å; H202-I205 WeakPolarHBondContact O-CB 3.43Å; H202-I205 WeakPolarHBondContact O-CG1 3.25Å; H202-I205 PolarHBondContact O-N 3.3Å; K203-I205 PolarHBondContact O-N 3.13Å; K203-I205 VanDerWaalsContact O-N 3.13Å
206H76.9Confident75.1Confident75 Ų7569.7 Ų69.735%0.34736%0.362SS..Hα-helixtrans-85.4-42.1-178.1-59.5-63.9000112Y188 C189 H202 K203 R204 G208Y188-H206 HydrophobicContact CD1-CB 4.24Å; Y188-H206 HydrophobicContact CD2-CB 3.89Å; Y188-H206 HydrophobicContact CE2-CB 4.38Å; Y188-H206 HydrophobicContact CG-CB 3.81Å; Y188-H206 AromaticContact CG-CG 3.86Å; C189-H206 PolarHBondContact SG-NE2 2.74Å; H202-H206 AromaticContact CE1-NE2 3.66Å; H202-H206 AromaticContact NE2-CD2 3.79Å; H202-H206 AromaticContact NE2-NE2 3.18Å; H202-H206 PolarHBondContact NE2-NE2 3Å; H202-H206 VanDerWaalsContact NE2-NE2 3.18Å; K203-H206 PolarHBondContact O-N 3.17Å; R204-H206 VanDerWaalsContact C-N 3.33Å; H206-G208 VanDerWaalsContact C-N 3.31Å
207T78.4Confident76.5Confident60 Ų6066.1 Ų66.137%0.36835%0.352SS..Hα-helixtrans-78.8-16.7-179.661.90000112.9Y188 K203 R204 E209Y188-T207 HydrophobicContact CE2-CG2 4.46Å; K203-T207 PolarHBondContact O-N 3.47Å; K203-T207 PolarHBondContact O-OG1 3.26Å; R204-T207 WeakPolarHBondContact CA-OG1 3.37Å; T207-E209 PolarHBondContact O-N 3.3Å; T207-E209 WeakPolarHBondContact OG1-CG 2.91Å; T207-E209 PolarHBondContact OG1-N 2.99Å
208G77.3Confident77.8Confident46 Ų4671 Ų7147%0.47437%0.37SS..  trans71.56.3-175.400000114R204 H206 K210R204-G208 WeakPolarHBondContact O-CA 3.15Å; R204-G208 PolarHBondContact O-N 3.04Å; H206-G208 VanDerWaalsContact C-N 3.31Å; G208-K210 PolarHBondContact O-N 2.93Å
209E77.3Confident79Confident113 Ų11374 Ų7453%0.52838%0.38SS..  trans-58.8126.7179.3-77.4176.2-169.400111.6R204 T207R204-E209 HydrophobicContact CB-CB 4.48Å; R204-E209 HydrophobicContact CG-CB 4.25Å; T207-E209 PolarHBondContact O-N 3.3Å; T207-E209 WeakPolarHBondContact OG1-CG 2.91Å; T207-E209 PolarHBondContact OG1-N 2.99Å
210K80.8Confident79.6Confident115 Ų11576.1 Ų76.150%0.539%0.394SS..  trans-129.876.7178.7-70.5172.8-179.1179.40110.1G208 Y212 T220 F221G208-K210 PolarHBondContact O-N 2.93Å; K210-Y212 PolarHBondContact O-N 3.13Å; K210-Y212 VanDerWaalsContact O-N 3.14Å; K210-T220 WeakPolarHBondContact CB-OG1 3.45Å; K210-T220 WeakPolarHBondContact CD-OG1 3.41Å; K210-T220 WeakPolarHBondContact O-CB 3.47Å; K210-F221 CarbonylContact C-O 3.53Å; K210-F221 VanDerWaalsContact CA-O 3.29Å; K210-F221 WeakPolarHBondContact CA-O 3.39Å
211P77.8Confident79.8Confident76 Ų7674.2 Ų74.249%0.49438%0.383SS..  trans-67.2-16.5-170.1-21.534.3000114.6
212Y79Confident80Confident74 Ų7474.7 Ų74.729%0.2939%0.386SS..EExtended strand (participates in β ladder)trans-102.9106.1-172.6-55.4-76.5000110.5K210 T220 F221 K224K210-Y212 PolarHBondContact O-N 3.13Å; K210-Y212 VanDerWaalsContact O-N 3.14Å; Y212-T220 CarbonylContact O-C 3.57Å; Y212-T220 VanDerWaalsContact O-CA 3.31Å; Y212-T220 WeakPolarHBondContact O-CA 3.38Å; Y212-F221 WeakPolarHBondContact CD2-O 3.45Å; Y212-F221 PolarHBondContact N-O 3.3Å; Y212-F221 VanDerWaalsContact N-O 3.11Å; Y212-F221 PolarHBondContact O-N 3.18Å; Y212-K224 HydrophobicContact CD1-CB 3.91Å; Y212-K224 HydrophobicContact CD1-CG 4.27Å; Y212-K224 VanDerWaalsContact CD2-N 3.32Å; Y212-K224 HydrophobicContact CE1-CB 3.73Å; Y212-K224 HydrophobicContact CE1-CD 4.5Å; Y212-K224 HydrophobicContact CE1-CG 4.26Å; Y212-K224 HydrophobicContact CE2-CB 4.36Å; Y212-K224 HydrophobicContact CG-CB 4.31Å
213E84.3Confident80Confident83 Ų8377.3 Ų77.339%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-95.3140.9179.7-173.1-178.1124.600112.3K218 T220 L227E213-K218 HydrophobicContact CG-CD 4.48Å; E213-K218 WeakPolarHBondContact OE1-CD 3.34Å; E213-K218 WeakPolarHBondContact OE1-CE 3.38Å; E213-K218 IonicContact OE1-NZ 3.09Å; E213-K218 PolarHBondContact OE1-NZ 3.49Å; E213-T220 HydrophobicContact CB-CG2 4.15Å; E213-T220 HydrophobicContact CG-CG2 4.13Å; E213-L227 WeakPolarHBondContact O-CD2 3.39Å
214C85.9Confident79.8Confident1 Ų180.5 Ų80.51%0.00741%0.412CS..  trans-82.4118.8168.2-177.90000110.9V216 K218 K219 F221 L227 H234C214-V216 PolarHBondContact O-N 3.34Å; C214-V216 VanDerWaalsContact O-N 3.13Å; C214-K218 WeakPolarHBondContact O-CA 3.37Å; C214-K218 PolarHBondContact O-N 3.08Å; C214-K219 WeakPolarHBondContact CB-O 3.43Å; C214-K219 PolarHBondContact N-O 3.4Å; C214-F221 HydrophobicContact CB-CE2 4.31Å; C214-L227 HydrophobicContact CB-CD1 3.68Å; C214-H234 PolarHBondContact SG-NE2 2.94Å; C214-H234 VanDerWaalsContact SG-NE2 3.38Å
215N87Confident79.4Confident128 Ų12881 Ų8168%0.68443%0.426SS*.THydrogen-bonded Turntrans-63.2-21.4-179.5-63.9-18.3000114.4
216V86.7Confident79.3Confident107 Ų10778.3 Ų78.365%0.64841%0.413SS*.THydrogen-bonded Turntrans-87.2-49.4-177.4-178.20000112.3C214 H234C214-V216 PolarHBondContact O-N 3.34Å; C214-V216 VanDerWaalsContact O-N 3.13Å; V216-H234 HydrophobicContact CG1-CB 4.44Å; V216-H234 HydrophobicContact CG2-CB 4.48Å
217C88.8Confident79.3Confident49 Ų4975.6 Ų75.633%0.33140%0.401SS..THydrogen-bonded Turntrans-116.45.5-173.273.20000114.1K219 H230C217-K219 PolarHBondContact O-N 3.42Å; C217-H230 PolarHBondContact SG-NE2 3.33Å
218K88.6Confident79.2Confident132 Ų13276.5 Ų76.557%0.57440%0.403SS*.  trans60.113.1177.6-55.7-60.9-172178.20115.1E213 C214E213-K218 HydrophobicContact CG-CD 4.48Å; E213-K218 WeakPolarHBondContact OE1-CD 3.34Å; E213-K218 WeakPolarHBondContact OE1-CE 3.38Å; E213-K218 IonicContact OE1-NZ 3.09Å; E213-K218 PolarHBondContact OE1-NZ 3.49Å; C214-K218 WeakPolarHBondContact O-CA 3.37Å; C214-K218 PolarHBondContact O-N 3.08Å
219K82.8Confident79.1Confident127 Ų12779 Ų7955%0.55240%0.4SS*.  trans-71.5137.1172.9-74.2-176.1179.2-179.80110.8C214 C217 F221C214-K219 WeakPolarHBondContact CB-O 3.43Å; C214-K219 PolarHBondContact N-O 3.4Å; C217-K219 PolarHBondContact O-N 3.42Å; K219-F221 HydrophobicContact CB-CE2 3.99Å; K219-F221 HydrophobicContact CB-CZ 4.07Å; K219-F221 WeakPolarHBondContact O-CE2 3.47Å
220T80.1Confident79.2Confident58 Ų5874.5 Ų74.536%0.35638%0.38SS..EExtended strand (participates in β ladder)trans-106.6148-178.559.70000112.1K210 Y212 E213K210-T220 WeakPolarHBondContact CB-OG1 3.45Å; K210-T220 WeakPolarHBondContact CD-OG1 3.41Å; K210-T220 WeakPolarHBondContact O-CB 3.47Å; Y212-T220 CarbonylContact O-C 3.57Å; Y212-T220 VanDerWaalsContact O-CA 3.31Å; Y212-T220 WeakPolarHBondContact O-CA 3.38Å; E213-T220 HydrophobicContact CB-CG2 4.15Å; E213-T220 HydrophobicContact CG-CG2 4.13Å
221F75.5Confident79.1Confident40 Ų4072.5 Ų72.518%0.17537%0.372CS..EExtended strand (participates in β ladder)trans-132146.8-176.1-58.5-88.9000110.8K210 Y212 C214 K219 H223 N226 L227 H230K210-F221 CarbonylContact C-O 3.53Å; K210-F221 VanDerWaalsContact CA-O 3.29Å; K210-F221 WeakPolarHBondContact CA-O 3.39Å; Y212-F221 WeakPolarHBondContact CD2-O 3.45Å; Y212-F221 PolarHBondContact N-O 3.3Å; Y212-F221 VanDerWaalsContact N-O 3.11Å; Y212-F221 PolarHBondContact O-N 3.18Å; C214-F221 HydrophobicContact CB-CE2 4.31Å; K219-F221 HydrophobicContact CB-CE2 3.99Å; K219-F221 HydrophobicContact CB-CZ 4.07Å; K219-F221 WeakPolarHBondContact O-CE2 3.47Å; F221-H223 VanDerWaalsContact C-N 3.32Å; F221-N226 HydrophobicContact CB-CB 4.35Å; F221-N226 HydrophobicContact CD1-CB 4.02Å; F221-N226 HydrophobicContact CG-CB 4.46Å; F221-L227 HydrophobicContact CB-CB 4.33Å; F221-L227 HydrophobicContact CD2-CB 3.85Å; F221-L227 HydrophobicContact CD2-CD1 3.72Å; F221-L227 HydrophobicContact CD2-CG 4.38Å; F221-L227 HydrophobicContact CE2-CD1 3.82Å; F221-L227 HydrophobicContact CG-CB 4.21Å; F221-H230 HydrophobicContact CE1-CB 3.83Å; F221-H230 HydrophobicContact CE2-CB 3.92Å; F221-H230 AromaticContact CE2-CD2 3.57Å; F221-H230 AromaticContact CE2-CG 3.7Å; F221-H230 HydrophobicContact CZ-CB 3.38Å; F221-H230 AromaticContact CZ-CD2 3.51Å; F221-H230 AromaticContact CZ-CG 3.17Å; F221-H230 AromaticContact CZ-ND1 3.62Å
222S71.8Confident79.5Confident30 Ų3071.5 Ų71.521%0.2136%0.358CS..SBendtrans-77.7-17.2176.751.90000113.5R204R204-S222 WeakPolarHBondContact CD-O 3.38Å; R204-S222 PolarHBondContact NH1-O 3.15Å
223H71.8Confident79.6Confident75 Ų7573.4 Ų73.435%0.34737%0.372SS..SBendtrans-136.2140.8179.3-59.7-98.9000111.7S201 F221 A225 N226 L227S201-H223 PolarHBondContact OG-CE1 3.34Å; S201-H223 PolarHBondContact OG-ND1 3.08Å; F221-H223 VanDerWaalsContact C-N 3.32Å; H223-A225 VanDerWaalsContact C-N 3.33Å; H223-A225 PolarHBondContact O-N 2.83Å; H223-N226 WeakPolarHBondContact O-CB 3.49Å; H223-N226 PolarHBondContact O-N 2.81Å; H223-N226 VanDerWaalsContact O-N 3.11Å; H223-L227 PolarHBondContact O-N 2.9Å
224K70.1Confident79.6Confident133 Ų13373 Ų7358%0.57837%0.37SS*.Hα-helixtrans-58.5-41.3177-168.8177.4179.3-1780112.5Y212 N226 L227 I228Y212-K224 HydrophobicContact CD1-CB 3.91Å; Y212-K224 HydrophobicContact CD1-CG 4.27Å; Y212-K224 VanDerWaalsContact CD2-N 3.32Å; Y212-K224 HydrophobicContact CE1-CB 3.73Å; Y212-K224 HydrophobicContact CE1-CD 4.5Å; Y212-K224 HydrophobicContact CE1-CG 4.26Å; Y212-K224 HydrophobicContact CE2-CB 4.36Å; Y212-K224 HydrophobicContact CG-CB 4.31Å; K224-N226 PolarHBondContact O-N 3.1Å; K224-L227 WeakPolarHBondContact O-CB 3.29Å; K224-L227 PolarHBondContact O-N 2.81Å; K224-I228 HydrophobicContact CG-CD1 4.23Å; K224-I228 WeakPolarHBondContact O-CG1 3.44Å; K224-I228 PolarHBondContact O-N 3.11Å
225A71Confident79.5Confident57 Ų5777 Ų7747%0.47140%0.395SS..Hα-helixtrans-58.6-33.7177.600000112.9H223 K229H223-A225 VanDerWaalsContact C-N 3.33Å; H223-A225 PolarHBondContact O-N 2.83Å; A225-K229 WeakPolarHBondContact O-CB 3.39Å; A225-K229 VanDerWaalsContact O-CG 3.26Å; A225-K229 WeakPolarHBondContact O-CG 3.43Å; A225-K229 PolarHBondContact O-N 3.08Å
226N73.6Confident79.3Confident65 Ų6573.1 Ų73.135%0.34839%0.385SS..Hα-helixtrans-74.8-35.3177-68.4-23000111.8F221 H223 K224 H230F221-N226 HydrophobicContact CB-CB 4.35Å; F221-N226 HydrophobicContact CD1-CB 4.02Å; F221-N226 HydrophobicContact CG-CB 4.46Å; H223-N226 WeakPolarHBondContact O-CB 3.49Å; H223-N226 PolarHBondContact O-N 2.81Å; H223-N226 VanDerWaalsContact O-N 3.11Å; K224-N226 PolarHBondContact O-N 3.1Å; N226-H230 VanDerWaalsContact O-CB 3.29Å; N226-H230 WeakPolarHBondContact O-CB 3.5Å; N226-H230 PolarHBondContact O-N 3.38Å
227L77Confident79.1Confident18 Ų1873.3 Ų73.39%0.09438%0.379CS..Hα-helixtrans-62.7-46.8171.3172.762.1000111.3E213 C214 F221 H223 K224 K229 H230 Q231E213-L227 WeakPolarHBondContact O-CD2 3.39Å; C214-L227 HydrophobicContact CB-CD1 3.68Å; F221-L227 HydrophobicContact CB-CB 4.33Å; F221-L227 HydrophobicContact CD2-CB 3.85Å; F221-L227 HydrophobicContact CD2-CD1 3.72Å; F221-L227 HydrophobicContact CD2-CG 4.38Å; F221-L227 HydrophobicContact CE2-CD1 3.82Å; F221-L227 HydrophobicContact CG-CB 4.21Å; H223-L227 PolarHBondContact O-N 2.9Å; K224-L227 WeakPolarHBondContact O-CB 3.29Å; K224-L227 PolarHBondContact O-N 2.81Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-K229 PolarHBondContact O-N 3.13Å; L227-H230 CarbonylContact O-C 3.25Å; L227-H230 WeakPolarHBondContact O-CA 3.23Å; L227-H230 WeakPolarHBondContact O-CB 3.44Å; L227-H230 PolarHBondContact O-N 2.93Å; L227-Q231 HydrophobicContact CD1-CG 4.19Å; L227-Q231 HydrophobicContact CG-CG 4.5Å; L227-Q231 WeakPolarHBondContact O-CG 3.37Å; L227-Q231 PolarHBondContact O-N 2.79Å
228I75.9Confident78.9Confident80 Ų8076.8 Ų76.841%0.4139%0.388SS..Hα-helixtrans-59.8-46177.6-66.1168.6000110.6K224 H230 Q231K224-I228 HydrophobicContact CG-CD1 4.23Å; K224-I228 WeakPolarHBondContact O-CG1 3.44Å; K224-I228 PolarHBondContact O-N 3.11Å; I228-H230 VanDerWaalsContact C-N 3.28Å; I228-H230 PolarHBondContact O-N 3.11Å; I228-Q231 PolarHBondContact O-N 3.06Å
229K75.1Confident78.5Confident97 Ų9773.4 Ų73.442%0.42238%0.38SS..Hα-helixtrans-58.8-39.8173.8-78.7173.9-172.4176.10112.2A225 L227 R232A225-K229 WeakPolarHBondContact O-CB 3.39Å; A225-K229 VanDerWaalsContact O-CG 3.26Å; A225-K229 WeakPolarHBondContact O-CG 3.43Å; A225-K229 PolarHBondContact O-N 3.08Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-K229 PolarHBondContact O-N 3.13Å; K229-R232 WeakPolarHBondContact O-CB 3.42Å
230H79.3Confident78.5Confident20 Ų2070 Ų709%0.09337%0.365CS..Hα-helixtrans-68.6-39177.917072.4000112.8C217 F221 N226 L227 I228 R232 I233 H234C217-H230 PolarHBondContact SG-NE2 3.33Å; F221-H230 HydrophobicContact CE1-CB 3.83Å; F221-H230 HydrophobicContact CE2-CB 3.92Å; F221-H230 AromaticContact CE2-CD2 3.57Å; F221-H230 AromaticContact CE2-CG 3.7Å; F221-H230 HydrophobicContact CZ-CB 3.38Å; F221-H230 AromaticContact CZ-CD2 3.51Å; F221-H230 AromaticContact CZ-CG 3.17Å; F221-H230 AromaticContact CZ-ND1 3.62Å; N226-H230 VanDerWaalsContact O-CB 3.29Å; N226-H230 WeakPolarHBondContact O-CB 3.5Å; N226-H230 PolarHBondContact O-N 3.38Å; L227-H230 CarbonylContact O-C 3.25Å; L227-H230 WeakPolarHBondContact O-CA 3.23Å; L227-H230 WeakPolarHBondContact O-CB 3.44Å; L227-H230 PolarHBondContact O-N 2.93Å; I228-H230 VanDerWaalsContact C-N 3.28Å; I228-H230 PolarHBondContact O-N 3.11Å; H230-R232 PolarHBondContact O-N 3.14Å; H230-R232 VanDerWaalsContact O-N 3.13Å; H230-I233 VanDerWaalsContact O-CB 3.28Å; H230-I233 WeakPolarHBondContact O-CB 3.49Å; H230-I233 WeakPolarHBondContact O-CG1 3.27Å; H230-I233 PolarHBondContact O-N 3.13Å; H230-H234 AromaticContact CD2-NE2 3.89Å; H230-H234 AromaticContact CE1-NE2 3.75Å; H230-H234 AromaticContact NE2-CD2 3.94Å; H230-H234 AromaticContact NE2-CE1 3.97Å; H230-H234 AromaticContact NE2-NE2 3.08Å; H230-H234 PolarHBondContact NE2-NE2 2.75Å
231Q79.9Confident78.6Confident73 Ų7373.2 Ų73.234%0.34138%0.376SS..Hα-helixtrans-58-28-179.6-77170.4-37.600112.7L227 I228 I233 H234 T235L227-Q231 HydrophobicContact CD1-CG 4.19Å; L227-Q231 HydrophobicContact CG-CG 4.5Å; L227-Q231 WeakPolarHBondContact O-CG 3.37Å; L227-Q231 PolarHBondContact O-N 2.79Å; I228-Q231 PolarHBondContact O-N 3.06Å; Q231-I233 PolarHBondContact O-N 2.89Å; Q231-I233 VanDerWaalsContact O-N 3.11Å; Q231-H234 PolarHBondContact O-N 2.8Å; Q231-T235 PolarHBondContact O-N 3.38Å; Q231-T235 VanDerWaalsContact O-N 3.15Å
232R84.3Confident79.2Confident54 Ų5471.3 Ų71.320%0.20437%0.368CS..Hα-helixtrans-58-23.1173.2-61.1179.9-173.5175.6-1.9114.1K229 H230 H234 T235 G236 E237 T250K229-R232 WeakPolarHBondContact O-CB 3.42Å; H230-R232 PolarHBondContact O-N 3.14Å; H230-R232 VanDerWaalsContact O-N 3.13Å; R232-H234 VanDerWaalsContact C-N 3.3Å; R232-T235 WeakPolarHBondContact CA-OG1 3.46Å; R232-G236 WeakPolarHBondContact O-CA 3.26Å; R232-G236 PolarHBondContact O-N 3.49Å; R232-E237 HydrophobicContact CG-CB 4.5Å; R232-T250 PolarHBondContact NH1-O 2.93Å
233I82.6Confident79.6Confident114 Ų11475.1 Ų75.159%0.58539%0.392SS*.Hα-helixtrans-67.5-35.5174.8-60.1177000110.5H230 Q231H230-I233 VanDerWaalsContact O-CB 3.28Å; H230-I233 WeakPolarHBondContact O-CB 3.49Å; H230-I233 WeakPolarHBondContact O-CG1 3.27Å; H230-I233 PolarHBondContact O-N 3.13Å; Q231-I233 PolarHBondContact O-N 2.89Å; Q231-I233 VanDerWaalsContact O-N 3.11Å
234H84.6Confident80.3Confident74 Ų7477.5 Ų77.534%0.34340%0.403SS..Hα-helixtrans-83.4-39.2-179-56.4-55.8000112.1C214 V216 H230 Q231 R232 G236C214-H234 PolarHBondContact SG-NE2 2.94Å; C214-H234 VanDerWaalsContact SG-NE2 3.38Å; V216-H234 HydrophobicContact CG1-CB 4.44Å; V216-H234 HydrophobicContact CG2-CB 4.48Å; H230-H234 AromaticContact CD2-NE2 3.89Å; H230-H234 AromaticContact CE1-NE2 3.75Å; H230-H234 AromaticContact NE2-CD2 3.94Å; H230-H234 AromaticContact NE2-CE1 3.97Å; H230-H234 AromaticContact NE2-NE2 3.08Å; H230-H234 PolarHBondContact NE2-NE2 2.75Å; Q231-H234 PolarHBondContact O-N 2.8Å; R232-H234 VanDerWaalsContact C-N 3.3Å; H234-G236 VanDerWaalsContact C-N 3.31Å
235T83.1Confident81.2Confident87 Ų8773.9 Ų73.953%0.53439%0.394SS..Hα-helixtrans-78.2-18.117961.90000112.9Q231 R232 E237Q231-T235 PolarHBondContact O-N 3.38Å; Q231-T235 VanDerWaalsContact O-N 3.15Å; R232-T235 WeakPolarHBondContact CA-OG1 3.46Å; T235-E237 PolarHBondContact O-N 3.15Å; T235-E237 WeakPolarHBondContact OG1-CG 3.44Å; T235-E237 PolarHBondContact OG1-N 3.49Å
236G82.9Confident81.9Confident46 Ų4673 Ų7347%0.47439%0.391SS..  trans71.16.1-174.500000113.7R232 H234 K238R232-G236 WeakPolarHBondContact O-CA 3.26Å; R232-G236 PolarHBondContact O-N 3.49Å; H234-G236 VanDerWaalsContact C-N 3.31Å; G236-K238 PolarHBondContact O-N 3.28Å
237E82.9Confident82.6Confident111 Ų11176 Ų7652%0.51940%0.401SS..  trans-59.3126.6179.5-77177.1-173.500111.3R232 T235 P239R232-E237 HydrophobicContact CG-CB 4.5Å; T235-E237 PolarHBondContact O-N 3.15Å; T235-E237 WeakPolarHBondContact OG1-CG 3.44Å; T235-E237 PolarHBondContact OG1-N 3.49Å; E237-P239 WeakPolarHBondContact O-CD 3.45Å
238K84.2Confident83.1Confident121 Ų12176.9 Ų76.953%0.52641%0.411SS..  trans-125.578.9177.1-70.9167.1177.3-176.90109.3G236 F240 A248 F249 T250G236-K238 PolarHBondContact O-N 3.28Å; K238-F240 PolarHBondContact O-N 2.84Å; K238-F240 VanDerWaalsContact O-N 3.13Å; K238-A248 HydrophobicContact CB-CB 3.52Å; K238-A248 HydrophobicContact CD-CB 4.21Å; K238-A248 WeakPolarHBondContact CD-O 3.47Å; K238-A248 HydrophobicContact CG-CB 4.48Å; K238-F249 CarbonylContact C-O 3.51Å; K238-F249 VanDerWaalsContact C-O 3.25Å; K238-F249 VanDerWaalsContact CA-O 3.26Å; K238-F249 WeakPolarHBondContact CA-O 3.34Å; K238-T250 HydrophobicContact CG-CG2 3.9Å
239P80.1Confident83.3Confident62 Ų6275.1 Ų75.140%0.40340%0.4SS..  trans-67-15.1-171.7-2234.8000114.5E237E237-P239 WeakPolarHBondContact O-CD 3.45Å
240F82.4Confident83.4Confident54 Ų5472.1 Ų72.124%0.23739%0.39CS..EExtended strand (participates in β ladder)trans-108.598.4-170.6-53.9-71000110.4K238 A248 F249 T250 Q252 L255K238-F240 PolarHBondContact O-N 2.84Å; K238-F240 VanDerWaalsContact O-N 3.13Å; F240-A248 CarbonylContact O-C 3.47Å; F240-A248 WeakPolarHBondContact O-CA 3.4Å; F240-F249 HydrophobicContact CB-CB 4.36Å; F240-F249 WeakPolarHBondContact CD2-O 3.36Å; F240-F249 PolarHBondContact N-O 3.22Å; F240-F249 PolarHBondContact O-N 2.88Å; F240-T250 WeakPolarHBondContact CE2-O 3.46Å; F240-Q252 HydrophobicContact CD1-CB 4Å; F240-Q252 HydrophobicContact CD2-CB 4.48Å; F240-Q252 VanDerWaalsContact CD2-N 3.26Å; F240-Q252 HydrophobicContact CE1-CB 3.8Å; F240-Q252 HydrophobicContact CE1-CG 4.46Å; F240-Q252 HydrophobicContact CE2-CB 4.3Å; F240-Q252 VanDerWaalsContact CE2-N 3.29Å; F240-Q252 HydrophobicContact CG-CB 4.31Å; F240-Q252 HydrophobicContact CZ-CB 3.95Å; F240-L255 HydrophobicContact CB-CB 4.15Å; F240-L255 HydrophobicContact CB-CD2 3.92Å
241E83.3Confident83.2Confident126 Ų12674 Ų7459%0.58940%0.398SS*.EExtended strand (participates in β ladder)trans-96.9138.1-178.3-167.4174.8164.800112.1G246 A248E241-G246 WeakPolarHBondContact OE1-CA 3.37Å; E241-A248 HydrophobicContact CB-CB 4.47Å; E241-A248 HydrophobicContact CG-CB 4.49Å
242C86.6Confident83Confident0 Ų074.3 Ų74.30%040%0.4CS..  trans-79.1119.1173.4179.40000110.2E244 C245 G246 K247 F249 L255 H262C242-E244 PolarHBondContact O-N 3.43Å; C242-C245 PolarHBondContact O-N 2.84Å; C242-C245 VanDerWaalsContact SG-SG 3.7Å; C242-G246 WeakPolarHBondContact O-CA 3.27Å; C242-G246 PolarHBondContact O-N 3.08Å; C242-K247 WeakPolarHBondContact CB-O 3.39Å; C242-K247 PolarHBondContact N-O 3.37Å; C242-F249 HydrophobicContact CB-CE2 4.4Å; C242-L255 HydrophobicContact CB-CD1 3.6Å; C242-H262 PolarHBondContact SG-NE2 3.19Å
243P81.1Confident82.5Confident110 Ų11075.1 Ų75.171%0.71441%0.414SS*.THydrogen-bonded Turntrans-65.4-24.8-176.625.8-34.2000113.2
244E85.6Confident82.3Confident125 Ų12573.2 Ų73.258%0.58441%0.405SS*.THydrogen-bonded Turntrans-83.3-27.9-175.5-64.5174.3-123.800113.7C242 H262C242-E244 PolarHBondContact O-N 3.43Å; E244-H262 IonicContact OE1-CD2 3.14Å; E244-H262 WeakPolarHBondContact OE2-CB 3.47Å; E244-H262 IonicContact OE2-CD2 3.24Å; E244-H262 PolarHBondContact OE2-CD2 3.01Å; E244-H262 IonicContact OE2-CG 3.58Å; E244-H262 VanDerWaalsContact OE2-CG 3.27Å
245C89.9Confident82Confident57 Ų5770.2 Ų70.239%0.38539%0.392SS..THydrogen-bonded Turntrans-137.75-174.672.60000115C242 K247 H258C242-C245 PolarHBondContact O-N 2.84Å; C242-C245 VanDerWaalsContact SG-SG 3.7Å; C245-K247 PolarHBondContact O-N 3.2Å; C245-K247 VanDerWaalsContact O-N 3.1Å; C245-H258 PolarHBondContact SG-NE2 3.3Å
246G86Confident81.7Confident40 Ų4069 Ų6941%0.41238%0.381SS..  trans66.86.6179.500000114.9E241 C242 A248E241-G246 WeakPolarHBondContact OE1-CA 3.37Å; C242-G246 WeakPolarHBondContact O-CA 3.27Å; C242-G246 PolarHBondContact O-N 3.08Å; G246-A248 PolarHBondContact O-N 3.09Å
247K87.1Confident81.4Confident127 Ų12768.8 Ų68.855%0.55237%0.371SS*.  trans-72.8124.1178.9-76.8-178.8-179.4171.40110.5C242 C245 F249C242-K247 WeakPolarHBondContact CB-O 3.39Å; C242-K247 PolarHBondContact N-O 3.37Å; C245-K247 PolarHBondContact O-N 3.2Å; C245-K247 VanDerWaalsContact O-N 3.1Å; K247-F249 HydrophobicContact CB-CE2 4.02Å; K247-F249 HydrophobicContact CB-CZ 4.15Å; K247-F249 WeakPolarHBondContact O-CD2 3.42Å; K247-F249 VanDerWaalsContact O-CE2 3.25Å; K247-F249 WeakPolarHBondContact O-CE2 3.43Å
248A87.5Confident81.4Confident36 Ų3665 Ų6530%0.29835%0.353SS..EExtended strand (participates in β ladder)trans-99.5145.2179.700000113.3K238 F240 E241 G246K238-A248 HydrophobicContact CB-CB 3.52Å; K238-A248 HydrophobicContact CD-CB 4.21Å; K238-A248 WeakPolarHBondContact CD-O 3.47Å; K238-A248 HydrophobicContact CG-CB 4.48Å; F240-A248 CarbonylContact O-C 3.47Å; F240-A248 WeakPolarHBondContact O-CA 3.4Å; E241-A248 HydrophobicContact CB-CB 4.47Å; E241-A248 HydrophobicContact CG-CB 4.49Å; G246-A248 PolarHBondContact O-N 3.09Å
249F81.2Confident81.1Confident44 Ų4462.2 Ų62.219%0.19334%0.342CS..EExtended strand (participates in β ladder)trans-127.5150.8-176.4-59.5-88.2000111.5K238 F240 C242 K247 N254 L255 H258K238-F249 CarbonylContact C-O 3.51Å; K238-F249 VanDerWaalsContact C-O 3.25Å; K238-F249 VanDerWaalsContact CA-O 3.26Å; K238-F249 WeakPolarHBondContact CA-O 3.34Å; F240-F249 HydrophobicContact CB-CB 4.36Å; F240-F249 WeakPolarHBondContact CD2-O 3.36Å; F240-F249 PolarHBondContact N-O 3.22Å; F240-F249 PolarHBondContact O-N 2.88Å; C242-F249 HydrophobicContact CB-CE2 4.4Å; K247-F249 HydrophobicContact CB-CE2 4.02Å; K247-F249 HydrophobicContact CB-CZ 4.15Å; K247-F249 WeakPolarHBondContact O-CD2 3.42Å; K247-F249 VanDerWaalsContact O-CE2 3.25Å; K247-F249 WeakPolarHBondContact O-CE2 3.43Å; F249-N254 HydrophobicContact CB-CB 4.21Å; F249-N254 HydrophobicContact CD1-CB 3.87Å; F249-N254 HydrophobicContact CG-CB 4.26Å; F249-L255 HydrophobicContact CB-CB 4.43Å; F249-L255 HydrophobicContact CD2-CB 3.87Å; F249-L255 HydrophobicContact CD2-CD1 3.84Å; F249-L255 HydrophobicContact CD2-CG 4.46Å; F249-L255 HydrophobicContact CE2-CD1 3.96Å; F249-L255 HydrophobicContact CG-CB 4.32Å; F249-H258 HydrophobicContact CE1-CB 3.94Å; F249-H258 HydrophobicContact CE2-CB 3.79Å; F249-H258 AromaticContact CE2-CD2 3.41Å; F249-H258 VanDerWaalsContact CE2-CD2 3.41Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.42Å; F249-H258 AromaticContact CE2-CG 3.6Å; F249-H258 HydrophobicContact CZ-CB 3.36Å; F249-H258 AromaticContact CZ-CD2 3.46Å; F249-H258 VanDerWaalsContact CZ-CD2 3.46Å; F249-H258 WeakPolarHBondContact CZ-CD2 3.38Å; F249-H258 AromaticContact CZ-CG 3.17Å; F249-H258 AromaticContact CZ-ND1 3.69Å
250T77.1Confident81.3Confident33 Ų3362.3 Ų62.320%0.20233%0.334CS..SBendtrans-78-21.7177.955.70000113.2R232 K238 F240R232-T250 PolarHBondContact NH1-O 2.93Å; K238-T250 HydrophobicContact CG-CG2 3.9Å; F240-T250 WeakPolarHBondContact CE2-O 3.46Å
251H74.4Confident81.2Confident59 Ų5962.7 Ų62.727%0.27335%0.347SS..SBendtrans-133.6139.4-178.7-56.3-71.3000111.5S253 N254 L255H251-S253 VanDerWaalsContact C-N 3.3Å; H251-S253 PolarHBondContact O-N 3.11Å; H251-N254 WeakPolarHBondContact O-CB 3.4Å; H251-N254 PolarHBondContact O-N 3.36Å; H251-N254 VanDerWaalsContact O-N 3.08Å; H251-L255 PolarHBondContact O-N 2.85Å
252Q75.3Confident81.1Confident81 Ų8159.9 Ų59.938%0.37933%0.334SS..Hα-helixtrans-58.9-38.9177.9-176.664.9-3.200112.6F240 N254 L255 I256F240-Q252 HydrophobicContact CD1-CB 4Å; F240-Q252 HydrophobicContact CD2-CB 4.48Å; F240-Q252 VanDerWaalsContact CD2-N 3.26Å; F240-Q252 HydrophobicContact CE1-CB 3.8Å; F240-Q252 HydrophobicContact CE1-CG 4.46Å; F240-Q252 HydrophobicContact CE2-CB 4.3Å; F240-Q252 VanDerWaalsContact CE2-N 3.29Å; F240-Q252 HydrophobicContact CG-CB 4.31Å; F240-Q252 HydrophobicContact CZ-CB 3.95Å; Q252-N254 PolarHBondContact O-N 3.35Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 3.1Å; Q252-L255 VanDerWaalsContact O-N 3.09Å; Q252-I256 HydrophobicContact CG-CD1 4.04Å; Q252-I256 HydrophobicContact CG-CG1 4.5Å; Q252-I256 WeakPolarHBondContact O-CG1 3.33Å; Q252-I256 PolarHBondContact O-N 3.15Å
253S74.3Confident80.8Confident71 Ų7164.6 Ų64.650%0.49736%0.357SS..Hα-helixtrans-57.3-35176.957.20000112.7H251 V257H251-S253 VanDerWaalsContact C-N 3.3Å; H251-S253 PolarHBondContact O-N 3.11Å; S253-V257 VanDerWaalsContact O-CG2 3.3Å; S253-V257 WeakPolarHBondContact O-CG2 3.45Å; S253-V257 PolarHBondContact O-N 3.03Å; S253-V257 VanDerWaalsContact O-N 3.11Å
254N77.9Confident80.3Confident74 Ų7468.7 Ų68.740%0.39637%0.366SS..Hα-helixtrans-74.4-36.1179.6-64.4-10.6000111.1F249 H251 Q252 H258F249-N254 HydrophobicContact CB-CB 4.21Å; F249-N254 HydrophobicContact CD1-CB 3.87Å; F249-N254 HydrophobicContact CG-CB 4.26Å; H251-N254 WeakPolarHBondContact O-CB 3.4Å; H251-N254 PolarHBondContact O-N 3.36Å; H251-N254 VanDerWaalsContact O-N 3.08Å; Q252-N254 PolarHBondContact O-N 3.35Å; N254-H258 VanDerWaalsContact O-CB 3.23Å; N254-H258 WeakPolarHBondContact O-CB 3.17Å; N254-H258 PolarHBondContact O-N 3.47Å
255L79.8Confident79.7Confident11 Ų1171 Ų716%0.05838%0.375CS..Hα-helixtrans-62.6-48.5172.6172.760.4000111F240 C242 F249 H251 Q252 V257 H258 Q259F240-L255 HydrophobicContact CB-CB 4.15Å; F240-L255 HydrophobicContact CB-CD2 3.92Å; C242-L255 HydrophobicContact CB-CD1 3.6Å; F249-L255 HydrophobicContact CB-CB 4.43Å; F249-L255 HydrophobicContact CD2-CB 3.87Å; F249-L255 HydrophobicContact CD2-CD1 3.84Å; F249-L255 HydrophobicContact CD2-CG 4.46Å; F249-L255 HydrophobicContact CE2-CD1 3.96Å; F249-L255 HydrophobicContact CG-CB 4.32Å; H251-L255 PolarHBondContact O-N 2.85Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 3.1Å; Q252-L255 VanDerWaalsContact O-N 3.09Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 2.98Å; L255-H258 CarbonylContact O-C 3.44Å; L255-H258 WeakPolarHBondContact O-CA 3.45Å; L255-H258 WeakPolarHBondContact O-CB 3.37Å; L255-H258 PolarHBondContact O-N 2.86Å; L255-Q259 HydrophobicContact CD1-CG 4.14Å; L255-Q259 WeakPolarHBondContact O-CG 3.47Å; L255-Q259 PolarHBondContact O-N 2.84Å
256I76.4Confident79.3Confident62 Ų6272.1 Ų72.132%0.31837%0.373SS..Hα-helixtrans-58-44.4178.4-67.5166.4000111.2Q252 H258 Q259Q252-I256 HydrophobicContact CG-CD1 4.04Å; Q252-I256 HydrophobicContact CG-CG1 4.5Å; Q252-I256 WeakPolarHBondContact O-CG1 3.33Å; Q252-I256 PolarHBondContact O-N 3.15Å; I256-H258 VanDerWaalsContact C-N 3.33Å; I256-Q259 PolarHBondContact O-N 3.15Å
257V75.7Confident79.2Confident41 Ų4173.6 Ų73.625%0.24838%0.375CS..Hα-helixtrans-65.6-38.8176.2167.50000111.3S253 L255 R260 Q279S253-V257 VanDerWaalsContact O-CG2 3.3Å; S253-V257 WeakPolarHBondContact O-CG2 3.45Å; S253-V257 PolarHBondContact O-N 3.03Å; S253-V257 VanDerWaalsContact O-N 3.11Å; L255-V257 VanDerWaalsContact C-N 3.3Å; L255-V257 PolarHBondContact O-N 2.98Å; V257-R260 WeakPolarHBondContact O-CB 3.31Å; V257-R260 PolarHBondContact O-N 3.49Å; V257-Q279 VanDerWaalsContact CG1-CD 3.48Å; V257-Q279 HydrophobicContact CG1-CG 3.96Å
258H82.7Confident79.1Confident31 Ų3170.9 Ų70.914%0.14436%0.362CS..Hα-helixtrans-65.3-40.1177.5169.667.5000112.7C245 F249 N254 L255 I256 R260 A261 H262C245-H258 PolarHBondContact SG-NE2 3.3Å; F249-H258 HydrophobicContact CE1-CB 3.94Å; F249-H258 HydrophobicContact CE2-CB 3.79Å; F249-H258 AromaticContact CE2-CD2 3.41Å; F249-H258 VanDerWaalsContact CE2-CD2 3.41Å; F249-H258 WeakPolarHBondContact CE2-CD2 3.42Å; F249-H258 AromaticContact CE2-CG 3.6Å; F249-H258 HydrophobicContact CZ-CB 3.36Å; F249-H258 AromaticContact CZ-CD2 3.46Å; F249-H258 VanDerWaalsContact CZ-CD2 3.46Å; F249-H258 WeakPolarHBondContact CZ-CD2 3.38Å; F249-H258 AromaticContact CZ-CG 3.17Å; F249-H258 AromaticContact CZ-ND1 3.69Å; N254-H258 VanDerWaalsContact O-CB 3.23Å; N254-H258 WeakPolarHBondContact O-CB 3.17Å; N254-H258 PolarHBondContact O-N 3.47Å; L255-H258 CarbonylContact O-C 3.44Å; L255-H258 WeakPolarHBondContact O-CA 3.45Å; L255-H258 WeakPolarHBondContact O-CB 3.37Å; L255-H258 PolarHBondContact O-N 2.86Å; I256-H258 VanDerWaalsContact C-N 3.33Å; H258-R260 PolarHBondContact O-N 3.27Å; H258-R260 VanDerWaalsContact O-N 3.15Å; H258-A261 WeakPolarHBondContact O-CB 3.39Å; H258-A261 PolarHBondContact O-N 3.11Å; H258-H262 AromaticContact CD2-NE2 3.85Å; H258-H262 AromaticContact CE1-CE1 3.96Å; H258-H262 AromaticContact CE1-NE2 3.73Å; H258-H262 AromaticContact NE2-CE1 3.75Å; H258-H262 AromaticContact NE2-NE2 3.15Å; H258-H262 PolarHBondContact NE2-NE2 3.47Å; H258-H262 VanDerWaalsContact NE2-NE2 3.15Å
259Q79Confident79.2Confident63 Ų6375.1 Ų75.129%0.29438%0.376SS..Hα-helixtrans-57.7-29.5177.9-74.6170.5-4900112.2L255 I256 A261 H262L255-Q259 HydrophobicContact CD1-CG 4.14Å; L255-Q259 WeakPolarHBondContact O-CG 3.47Å; L255-Q259 PolarHBondContact O-N 2.84Å; I256-Q259 PolarHBondContact O-N 3.15Å; Q259-A261 PolarHBondContact O-N 3.15Å; Q259-A261 VanDerWaalsContact O-N 3.1Å; Q259-H262 PolarHBondContact O-N 2.96Å
260R83.6Confident79.7Confident63 Ų6373 Ų7324%0.23837%0.367CS..THydrogen-bonded Turntrans-63.8-14.9173.3-56.4177.6-171.7174.8-0.5114V257 H258 H262 M263 A278V257-R260 WeakPolarHBondContact O-CB 3.31Å; V257-R260 PolarHBondContact O-N 3.49Å; H258-R260 PolarHBondContact O-N 3.27Å; H258-R260 VanDerWaalsContact O-N 3.15Å; R260-H262 VanDerWaalsContact C-N 3.34Å; R260-M263 HydrophobicContact CB-SD 4.31Å; R260-M263 HydrophobicContact CG-SD 4.22Å; R260-A278 HydrophobicContact CB-CB 4.07Å; R260-A278 WeakPolarHBondContact CD-O 3.42Å; R260-A278 PolarHBondContact NH1-O 3.29Å; R260-A278 VanDerWaalsContact NH1-O 3.08Å
261A81.5Confident80.4Confident62 Ų6276.6 Ų76.651%0.51239%0.393SS..THydrogen-bonded Turntrans-77.1-22.4173.500000112.6H258 Q259H258-A261 WeakPolarHBondContact O-CB 3.39Å; H258-A261 PolarHBondContact O-N 3.11Å; Q259-A261 PolarHBondContact O-N 3.15Å; Q259-A261 VanDerWaalsContact O-N 3.1Å
262H80.9Confident81.1Confident67 Ų6779.2 Ų79.231%0.3141%0.405SS..THydrogen-bonded Turntrans-88.8-16.9176.6-54.3-51.5000113C242 E244 H258 Q259 R260 E264C242-H262 PolarHBondContact SG-NE2 3.19Å; E244-H262 IonicContact OE1-CD2 3.14Å; E244-H262 WeakPolarHBondContact OE2-CB 3.47Å; E244-H262 IonicContact OE2-CD2 3.24Å; E244-H262 PolarHBondContact OE2-CD2 3.01Å; E244-H262 IonicContact OE2-CG 3.58Å; E244-H262 VanDerWaalsContact OE2-CG 3.27Å; H258-H262 AromaticContact CD2-NE2 3.85Å; H258-H262 AromaticContact CE1-CE1 3.96Å; H258-H262 AromaticContact CE1-NE2 3.73Å; H258-H262 AromaticContact NE2-CE1 3.75Å; H258-H262 AromaticContact NE2-NE2 3.15Å; H258-H262 PolarHBondContact NE2-NE2 3.47Å; H258-H262 VanDerWaalsContact NE2-NE2 3.15Å; Q259-H262 PolarHBondContact O-N 2.96Å; R260-H262 VanDerWaalsContact C-N 3.34Å; H262-E264 PolarHBondContact O-N 3.25Å
263M80.2Confident81.9Confident99 Ų9977.9 Ų77.949%0.48840%0.404SS..SBendtrans-66.8130.9173.9-60.1176.876.800111R260 K265R260-M263 HydrophobicContact CB-SD 4.31Å; R260-M263 HydrophobicContact CG-SD 4.22Å; M263-K265 VanDerWaalsContact C-N 3.26Å; M263-K265 PolarHBondContact O-N 3.43Å
264E69.4Low82.6Confident196 Ų19676.5 Ų76.592%0.91640%0.401SS*.SBendtrans-60.4-37.2176.7-63.8-175167.500112.4H262H262-E264 PolarHBondContact O-N 3.25Å
265K73Confident83.1Confident173 Ų17378.8 Ų78.875%0.75241%0.408SS*.SBendtrans-115.4115.7175.9-68-173.9-179.3-179.60109.8M263M263-K265 VanDerWaalsContact C-N 3.26Å; M263-K265 PolarHBondContact O-N 3.43Å
266K83.3Confident83.5Confident82 Ų8281 Ų8136%0.35742%0.421SS..  trans-76.3143.6177.3-54.9177176176.40110.2Y268 F277 A278K266-Y268 VanDerWaalsContact C-N 3.25Å; K266-Y268 PolarHBondContact O-N 2.95Å; K266-Y268 VanDerWaalsContact O-N 3.1Å; K266-F277 WeakPolarHBondContact CB-O 3.25Å; K266-A278 HydrophobicContact CD-CB 4.18Å
267P82.1Confident83.9Confident71 Ų7179.7 Ų79.746%0.46141%0.413SS..SBendtrans-67-17.5-166.5-23.134.1000116.1
268Y85.9Confident84.3Confident69 Ų6978.3 Ų78.327%0.27141%0.406SS..EExtended strand (participates in β ladder)trans-113.9105.2-172-57-77.2000110.7K266 T276 F277 A278 K280K266-Y268 VanDerWaalsContact C-N 3.25Å; K266-Y268 PolarHBondContact O-N 2.95Å; K266-Y268 VanDerWaalsContact O-N 3.1Å; Y268-T276 CarbonylContact O-C 3.57Å; Y268-T276 VanDerWaalsContact O-CA 3.31Å; Y268-T276 WeakPolarHBondContact O-CA 3.13Å; Y268-F277 WeakPolarHBondContact CB-O 3.42Å; Y268-F277 WeakPolarHBondContact CD2-O 3.12Å; Y268-F277 PolarHBondContact N-O 3.22Å; Y268-F277 VanDerWaalsContact N-O 3.17Å; Y268-F277 PolarHBondContact O-N 3.07Å; Y268-A278 WeakPolarHBondContact CE2-O 3.18Å; Y268-K280 HydrophobicContact CD1-CB 3.99Å; Y268-K280 HydrophobicContact CD1-CG 4.36Å; Y268-K280 HydrophobicContact CE1-CB 3.68Å; Y268-K280 HydrophobicContact CE1-CG 4.22Å; Y268-K280 HydrophobicContact CE2-CB 4.42Å; Y268-K280 VanDerWaalsContact CE2-N 3.34Å; Y268-K280 HydrophobicContact CG-CB 4.49Å
269E89.8Confident84.2Confident126 Ų12679.4 Ų79.459%0.58941%0.412SS*.EExtended strand (participates in β ladder)trans-98.9141.2-179.9-172175.8163.100112.2T276 L283E269-T276 HydrophobicContact CB-CG2 4.14Å; E269-T276 HydrophobicContact CG-CG2 4.07Å; E269-L283 WeakPolarHBondContact O-CD2 3.36Å
270C91.8Very high84.4Confident0 Ų083.1 Ų83.10%043%0.427CS..  trans-84.8115.8170.2178.70000110.5E272 C273 G274 K275 F277 L283 H290C270-E272 PolarHBondContact O-N 2.85Å; C270-E272 VanDerWaalsContact O-N 3.15Å; C270-C273 PolarHBondContact O-N 3.28Å; C270-C273 VanDerWaalsContact SG-SG 3.65Å; C270-G274 WeakPolarHBondContact O-CA 3.37Å; C270-G274 PolarHBondContact O-N 3.43Å; C270-K275 WeakPolarHBondContact CB-O 3.29Å; C270-K275 PolarHBondContact N-O 3.38Å; C270-F277 HydrophobicContact CB-CE2 4.25Å; C270-L283 HydrophobicContact CB-CD1 3.64Å; C270-H290 PolarHBondContact SG-NE2 3.32Å
271S90.5Very high84.3Confident107 Ų10785.6 Ų85.675%0.74844%0.439SS*.THydrogen-bonded Turntrans-59-25.2179.151.70000114.6
272E90.3Very high84.6Confident114 Ų11485.7 Ų85.753%0.53343%0.429SS..THydrogen-bonded Turntrans-88.9-24.6-175.2-63.4-178.4-129.800113.8C270 H290C270-E272 PolarHBondContact O-N 2.85Å; C270-E272 VanDerWaalsContact O-N 3.15Å; E272-H290 IonicContact OE1-CD2 3.17Å; E272-H290 WeakPolarHBondContact OE2-CB 3.44Å; E272-H290 IonicContact OE2-CD2 2.7Å; E272-H290 IonicContact OE2-CG 3.91Å; E272-H290 VanDerWaalsContact OE2-CG 3.25Å
273C91.9Very high85Confident54 Ų5483.4 Ų83.437%0.36542%0.419SS..THydrogen-bonded Turntrans-139.66.5-176.272.50000115.1C270 K275 H286C270-C273 PolarHBondContact O-N 3.28Å; C270-C273 VanDerWaalsContact SG-SG 3.65Å; C273-K275 PolarHBondContact O-N 3.32Å; C273-H286 PolarHBondContact SG-NE2 3.34Å
274G88.4Confident85.4Confident41 Ų4181.6 Ų81.642%0.42341%0.414SS..  trans66.74178.500000115.3C270C270-G274 WeakPolarHBondContact O-CA 3.37Å; C270-G274 PolarHBondContact O-N 3.43Å
275K88.8Confident86.2Confident123 Ų12373.5 Ų73.554%0.53538%0.378SS..  trans-70.8134.8-179.7-73.8179.6-177168.30111C270 C273 F277C270-K275 WeakPolarHBondContact CB-O 3.29Å; C270-K275 PolarHBondContact N-O 3.38Å; C273-K275 PolarHBondContact O-N 3.32Å; K275-F277 HydrophobicContact CB-CE2 3.93Å; K275-F277 HydrophobicContact CB-CZ 4.03Å; K275-F277 WeakPolarHBondContact O-CE2 3.5Å
276T87.4Confident87.1Confident56 Ų5666.1 Ų66.134%0.34435%0.346SS..EExtended strand (participates in β ladder)trans-105.8145.4-178.963.10000112.7Y268 E269Y268-T276 CarbonylContact O-C 3.57Å; Y268-T276 VanDerWaalsContact O-CA 3.31Å; Y268-T276 WeakPolarHBondContact O-CA 3.13Å; E269-T276 HydrophobicContact CB-CG2 4.14Å; E269-T276 HydrophobicContact CG-CG2 4.07Å
277F86Confident87.4Confident35 Ų3565.2 Ų65.215%0.15434%0.343CS..EExtended strand (participates in β ladder)trans-132.2147.5-173.8-60.3-85.1000111K266 Y268 C270 K275 Q279 E282 L283 H286K266-F277 WeakPolarHBondContact CB-O 3.25Å; Y268-F277 WeakPolarHBondContact CB-O 3.42Å; Y268-F277 WeakPolarHBondContact CD2-O 3.12Å; Y268-F277 PolarHBondContact N-O 3.22Å; Y268-F277 VanDerWaalsContact N-O 3.17Å; Y268-F277 PolarHBondContact O-N 3.07Å; C270-F277 HydrophobicContact CB-CE2 4.25Å; K275-F277 HydrophobicContact CB-CE2 3.93Å; K275-F277 HydrophobicContact CB-CZ 4.03Å; K275-F277 WeakPolarHBondContact O-CE2 3.5Å; F277-Q279 VanDerWaalsContact C-N 3.32Å; F277-E282 HydrophobicContact CB-CB 3.99Å; F277-E282 HydrophobicContact CD1-CB 3.81Å; F277-E282 HydrophobicContact CG-CB 4.16Å; F277-L283 HydrophobicContact CB-CB 4.29Å; F277-L283 HydrophobicContact CD2-CB 3.88Å; F277-L283 HydrophobicContact CD2-CD1 3.83Å; F277-L283 HydrophobicContact CD2-CG 4.46Å; F277-L283 HydrophobicContact CE2-CD1 4Å; F277-L283 HydrophobicContact CG-CB 4.24Å; F277-H286 HydrophobicContact CE1-CB 3.86Å; F277-H286 HydrophobicContact CE2-CB 3.87Å; F277-H286 AromaticContact CE2-CD2 3.43Å; F277-H286 VanDerWaalsContact CE2-CD2 3.43Å; F277-H286 WeakPolarHBondContact CE2-CD2 2.96Å; F277-H286 AromaticContact CE2-CG 3.62Å; F277-H286 HydrophobicContact CZ-CB 3.4Å; F277-H286 VanDerWaalsContact CZ-CB 3.4Å; F277-H286 AromaticContact CZ-CD2 3.42Å; F277-H286 VanDerWaalsContact CZ-CD2 3.42Å; F277-H286 WeakPolarHBondContact CZ-CD2 3.37Å; F277-H286 AromaticContact CZ-CG 3.14Å; F277-H286 AromaticContact CZ-ND1 3.6Å; F277-H286 AromaticContact CZ-NE2 3.98Å
278A82.9Confident87.7Confident12 Ų1263.8 Ų63.810%0.09933%0.328CS..SBendtrans-79.9-22.5-175.800000111.4R260 K266 Y268 E282R260-A278 HydrophobicContact CB-CB 4.07Å; R260-A278 WeakPolarHBondContact CD-O 3.42Å; R260-A278 PolarHBondContact NH1-O 3.29Å; R260-A278 VanDerWaalsContact NH1-O 3.08Å; K266-A278 HydrophobicContact CD-CB 4.18Å; Y268-A278 WeakPolarHBondContact CE2-O 3.18Å; A278-E282 PolarHBondContact N-OE2 3.36Å
279Q82.3Confident87.9Confident55 Ų5565.4 Ų65.426%0.25734%0.341SS..SBendtrans-134145.8-178.1-56.2-173.150.100112V257 F277 F281 E282 L283V257-Q279 VanDerWaalsContact CG1-CD 3.48Å; V257-Q279 HydrophobicContact CG1-CG 3.96Å; F277-Q279 VanDerWaalsContact C-N 3.32Å; Q279-F281 VanDerWaalsContact C-N 3.31Å; Q279-F281 HydrophobicContact CB-CD1 3.74Å; Q279-F281 HydrophobicContact CB-CE1 3.82Å; Q279-F281 HydrophobicContact CG-CE1 4.27Å; Q279-F281 PolarHBondContact O-N 2.93Å; Q279-E282 HydrophobicContact CB-CG 4.14Å; Q279-E282 PolarHBondContact N-OE2 2.81Å; Q279-E282 WeakPolarHBondContact O-CB 3.5Å; Q279-E282 PolarHBondContact O-N 2.74Å; Q279-E282 VanDerWaalsContact O-N 3.13Å; Q279-L283 PolarHBondContact O-N 3.1Å
280K82.5Confident87.9Confident140 Ų14062.8 Ų62.861%0.60933%0.328SS*.Hα-helixtrans-57.5-41.4-179.6-171.9176.2179.2178.30112.7Y268 E282 L283 T284Y268-K280 HydrophobicContact CD1-CB 3.99Å; Y268-K280 HydrophobicContact CD1-CG 4.36Å; Y268-K280 HydrophobicContact CE1-CB 3.68Å; Y268-K280 HydrophobicContact CE1-CG 4.22Å; Y268-K280 HydrophobicContact CE2-CB 4.42Å; Y268-K280 VanDerWaalsContact CE2-N 3.34Å; Y268-K280 HydrophobicContact CG-CB 4.49Å; K280-E282 PolarHBondContact O-N 3.11Å; K280-L283 WeakPolarHBondContact O-CB 3.29Å; K280-L283 PolarHBondContact O-N 2.84Å; K280-T284 PolarHBondContact O-N 2.88Å; K280-T284 PolarHBondContact O-OG1 3.06Å
281F82.1Confident87.8Confident116 Ų11667.2 Ų67.251%0.50936%0.356SS..Hα-helixtrans-64.1-31.1-178.687.7-97.3000112.4Q279 T285Q279-F281 VanDerWaalsContact C-N 3.31Å; Q279-F281 HydrophobicContact CB-CD1 3.74Å; Q279-F281 HydrophobicContact CB-CE1 3.82Å; Q279-F281 HydrophobicContact CG-CE1 4.27Å; Q279-F281 PolarHBondContact O-N 2.93Å; F281-T285 WeakPolarHBondContact O-CB 3.42Å; F281-T285 PolarHBondContact O-N 3.18Å; F281-T285 PolarHBondContact O-OG1 3.35Å
282E86.7Confident87.7Confident63 Ų6364 Ų6429%0.29434%0.34SS..Hα-helixtrans-68-44.5177.2-62.9176.5154.500109.9F277 A278 Q279 K280 T285 H286F277-E282 HydrophobicContact CB-CB 3.99Å; F277-E282 HydrophobicContact CD1-CB 3.81Å; F277-E282 HydrophobicContact CG-CB 4.16Å; A278-E282 PolarHBondContact N-OE2 3.36Å; Q279-E282 HydrophobicContact CB-CG 4.14Å; Q279-E282 PolarHBondContact N-OE2 2.81Å; Q279-E282 WeakPolarHBondContact O-CB 3.5Å; Q279-E282 PolarHBondContact O-N 2.74Å; Q279-E282 VanDerWaalsContact O-N 3.13Å; K280-E282 PolarHBondContact O-N 3.11Å; E282-T285 PolarHBondContact O-N 3.46Å; E282-H286 VanDerWaalsContact O-CB 3.27Å; E282-H286 WeakPolarHBondContact O-CB 3.31Å; E282-H286 PolarHBondContact O-N 2.86Å
283L89.8Confident87.6Confident20 Ų2063.5 Ų63.511%0.10534%0.337CS..Hα-helixtrans-59.4-50.5172.8172.162.2000111E269 C270 F277 Q279 K280 T285 H286 Q287E269-L283 WeakPolarHBondContact O-CD2 3.36Å; C270-L283 HydrophobicContact CB-CD1 3.64Å; F277-L283 HydrophobicContact CB-CB 4.29Å; F277-L283 HydrophobicContact CD2-CB 3.88Å; F277-L283 HydrophobicContact CD2-CD1 3.83Å; F277-L283 HydrophobicContact CD2-CG 4.46Å; F277-L283 HydrophobicContact CE2-CD1 4Å; F277-L283 HydrophobicContact CG-CB 4.24Å; Q279-L283 PolarHBondContact O-N 3.1Å; K280-L283 WeakPolarHBondContact O-CB 3.29Å; K280-L283 PolarHBondContact O-N 2.84Å; L283-T285 VanDerWaalsContact C-N 3.27Å; L283-T285 PolarHBondContact O-N 3.44Å; L283-H286 CarbonylContact O-C 3.46Å; L283-H286 WeakPolarHBondContact O-CA 3.29Å; L283-H286 WeakPolarHBondContact O-CB 3.36Å; L283-H286 PolarHBondContact O-N 2.74Å; L283-Q287 HydrophobicContact CD1-CG 4.06Å; L283-Q287 HydrophobicContact CG-CG 4.44Å; L283-Q287 WeakPolarHBondContact O-CG 3.47Å; L283-Q287 PolarHBondContact O-N 3.24Å
284T87.8Confident87.5Confident61 Ų6166.5 Ų66.537%0.37434%0.341SS..Hα-helixtrans-58-41.5178.4-56.80000111.8K280 H286K280-T284 PolarHBondContact O-N 2.88Å; K280-T284 PolarHBondContact O-OG1 3.06Å; T284-H286 VanDerWaalsContact C-N 3.33Å
285T87.7Confident87.6Confident25 Ų2567.5 Ų67.515%0.15334%0.34CS..Hα-helixtrans-69.6-33.4176.8-54.60000112.1F281 E282 L283 R288 K307F281-T285 WeakPolarHBondContact O-CB 3.42Å; F281-T285 PolarHBondContact O-N 3.18Å; F281-T285 PolarHBondContact O-OG1 3.35Å; E282-T285 PolarHBondContact O-N 3.46Å; L283-T285 VanDerWaalsContact C-N 3.27Å; L283-T285 PolarHBondContact O-N 3.44Å; T285-R288 WeakPolarHBondContact O-CB 3.38Å; T285-K307 HydrophobicContact CG2-CD 4.12Å; T285-K307 VanDerWaalsContact CG2-CE 3.42Å; T285-K307 HydrophobicContact CG2-CG 3.57Å
286H90.1Very high87.8Confident18 Ų1865.1 Ų65.18%0.08333%0.328CS..Hα-helixtrans-69.4-41.2176.3169.870.7000112.4C273 F277 E282 L283 T284 R288 I289 H290C273-H286 PolarHBondContact SG-NE2 3.34Å; F277-H286 HydrophobicContact CE1-CB 3.86Å; F277-H286 HydrophobicContact CE2-CB 3.87Å; F277-H286 AromaticContact CE2-CD2 3.43Å; F277-H286 VanDerWaalsContact CE2-CD2 3.43Å; F277-H286 WeakPolarHBondContact CE2-CD2 2.96Å; F277-H286 AromaticContact CE2-CG 3.62Å; F277-H286 HydrophobicContact CZ-CB 3.4Å; F277-H286 VanDerWaalsContact CZ-CB 3.4Å; F277-H286 AromaticContact CZ-CD2 3.42Å; F277-H286 VanDerWaalsContact CZ-CD2 3.42Å; F277-H286 WeakPolarHBondContact CZ-CD2 3.37Å; F277-H286 AromaticContact CZ-CG 3.14Å; F277-H286 AromaticContact CZ-ND1 3.6Å; F277-H286 AromaticContact CZ-NE2 3.98Å; E282-H286 VanDerWaalsContact O-CB 3.27Å; E282-H286 WeakPolarHBondContact O-CB 3.31Å; E282-H286 PolarHBondContact O-N 2.86Å; L283-H286 CarbonylContact O-C 3.46Å; L283-H286 WeakPolarHBondContact O-CA 3.29Å; L283-H286 WeakPolarHBondContact O-CB 3.36Å; L283-H286 PolarHBondContact O-N 2.74Å; T284-H286 VanDerWaalsContact C-N 3.33Å; H286-R288 PolarHBondContact O-N 3.2Å; H286-R288 VanDerWaalsContact O-N 3.1Å; H286-I289 VanDerWaalsContact O-CB 3.25Å; H286-I289 WeakPolarHBondContact O-CB 3.39Å; H286-I289 WeakPolarHBondContact O-CG1 3.28Å; H286-I289 PolarHBondContact O-N 3.23Å; H286-H290 AromaticContact NE2-NE2 3.37Å; H286-H290 PolarHBondContact NE2-NE2 3.44Å
287Q89.7Confident88.1Confident64 Ų6467.3 Ų67.330%0.29933%0.334SS..Hα-helixtrans-55.7-28.9177.9-76.4172.5-44.600112.3L283 I289 H290 T291L283-Q287 HydrophobicContact CD1-CG 4.06Å; L283-Q287 HydrophobicContact CG-CG 4.44Å; L283-Q287 WeakPolarHBondContact O-CG 3.47Å; L283-Q287 PolarHBondContact O-N 3.24Å; Q287-I289 PolarHBondContact O-N 3.19Å; Q287-I289 VanDerWaalsContact O-N 3.13Å; Q287-H290 PolarHBondContact O-N 3.47Å; Q287-T291 PolarHBondContact O-N 2.98Å; Q287-T291 VanDerWaalsContact O-N 3.17Å
288R90.3Very high88.5Confident40 Ų4065.7 Ų65.715%0.15133%0.327CS..Hα-helixtrans-59-24173.7-60.9-173.8174.3140.56.9114.4T285 H286 H290 T291 G292 E293 F306T285-R288 WeakPolarHBondContact O-CB 3.38Å; H286-R288 PolarHBondContact O-N 3.2Å; H286-R288 VanDerWaalsContact O-N 3.1Å; R288-H290 PolarHBondContact O-N 3.43Å; R288-T291 WeakPolarHBondContact CA-OG1 3.38Å; R288-G292 WeakPolarHBondContact O-CA 3.49Å; R288-G292 PolarHBondContact O-N 3.21Å; R288-E293 HydrophobicContact CG-CB 4.42Å; R288-E293 IonicContact NE-OE2 3.35Å; R288-E293 PolarHBondContact O-N 2.92Å; R288-F306 HydrophobicContact CB-CD1 3.61Å; R288-F306 HydrophobicContact CB-CE1 4.12Å; R288-F306 PolarHBondContact NH1-O 3.44Å; R288-F306 WeakPolarHBondContact O-CE1 3.28Å
289I88.9Confident89Confident103 Ų10372.2 Ų72.253%0.52836%0.36SS..Hα-helixtrans-64.8-35175.8-62.3175000110.5H286 Q287H286-I289 VanDerWaalsContact O-CB 3.25Å; H286-I289 WeakPolarHBondContact O-CB 3.39Å; H286-I289 WeakPolarHBondContact O-CG1 3.28Å; H286-I289 PolarHBondContact O-N 3.23Å; Q287-I289 PolarHBondContact O-N 3.19Å; Q287-I289 VanDerWaalsContact O-N 3.13Å
290H89.8Confident89.5Confident71 Ų7175.4 Ų75.433%0.32938%0.375SS..Hα-helixtrans-84.9-40.8-179.3-50.8-55000112.2C270 E272 H286 Q287 R288 G292C270-H290 PolarHBondContact SG-NE2 3.32Å; E272-H290 IonicContact OE1-CD2 3.17Å; E272-H290 WeakPolarHBondContact OE2-CB 3.44Å; E272-H290 IonicContact OE2-CD2 2.7Å; E272-H290 IonicContact OE2-CG 3.91Å; E272-H290 VanDerWaalsContact OE2-CG 3.25Å; H286-H290 AromaticContact NE2-NE2 3.37Å; H286-H290 PolarHBondContact NE2-NE2 3.44Å; Q287-H290 PolarHBondContact O-N 3.47Å; R288-H290 PolarHBondContact O-N 3.43Å; H290-G292 PolarHBondContact O-N 2.84Å
291T89.3Confident90Very high94 Ų9471 Ų7158%0.57736%0.362SS*.Hα-helixtrans-73.7-17.3177.165.90000113.2Q287 R288 E293Q287-T291 PolarHBondContact O-N 2.98Å; Q287-T291 VanDerWaalsContact O-N 3.17Å; R288-T291 WeakPolarHBondContact CA-OG1 3.38Å; T291-E293 PolarHBondContact O-N 2.75Å; T291-E293 WeakPolarHBondContact OG1-CB 3.23Å; T291-E293 PolarHBondContact OG1-N 3.49Å
292G88.1Confident90.5Very high40 Ų4068.4 Ų68.441%0.41236%0.361SS..  trans72.72-173.800000114.3R288 H290 R294R288-G292 WeakPolarHBondContact O-CA 3.49Å; R288-G292 PolarHBondContact O-N 3.21Å; H290-G292 PolarHBondContact O-N 2.84Å; G292-R294 PolarHBondContact O-N 3.46Å
293E89.7Confident90.8Very high103 Ų10371.4 Ų71.448%0.48137%0.373SS..  trans-62.4121.2-177.4-170.9-158.3175.200111.1R288 T291 P295 F306R288-E293 HydrophobicContact CG-CB 4.42Å; R288-E293 IonicContact NE-OE2 3.35Å; R288-E293 PolarHBondContact O-N 2.92Å; T291-E293 PolarHBondContact O-N 2.75Å; T291-E293 WeakPolarHBondContact OG1-CB 3.23Å; T291-E293 PolarHBondContact OG1-N 3.49Å; E293-P295 HydrophobicContact CG-CG 3.92Å; E293-P295 WeakPolarHBondContact O-CD 3.41Å; E293-P295 WeakPolarHBondContact OE1-CG 3.36Å; E293-F306 WeakPolarHBondContact O-CD1 3.46Å; E293-F306 VanDerWaalsContact O-CE1 3.27Å; E293-F306 WeakPolarHBondContact O-CE1 3.41Å
294R89.5Confident90.9Very high117 Ų11773 Ų7344%0.44238%0.384SS..  trans-125.978.8179.2-67.8167.7117.3107.51.9110.5G292 Y296 T304 F305 F306G292-R294 PolarHBondContact O-N 3.46Å; R294-Y296 PolarHBondContact O-N 3.49Å; R294-T304 WeakPolarHBondContact CD-OG1 3.45Å; R294-T304 PolarHBondContact NE-O 3.39Å; R294-F305 CarbonylContact C-O 3.53Å; R294-F305 WeakPolarHBondContact CA-O 2.97Å; R294-F306 HydrophobicContact CG-CD1 3.63Å; R294-F306 HydrophobicContact CG-CD2 4.43Å; R294-F306 HydrophobicContact CG-CE1 3.37Å; R294-F306 HydrophobicContact CG-CE2 4.24Å; R294-F306 HydrophobicContact CG-CG 4.17Å; R294-F306 HydrophobicContact CG-CZ 3.73Å; R294-F306 VanDerWaalsContact CZ-CZ 3.45Å; R294-F306 VanDerWaalsContact NH1-CE2 3.29Å
295P89.9Confident91Very high61 Ų6171.9 Ų71.940%0.39637%0.374SS..  trans-66.5-14.8-169.1-22.934.9000114.8E293E293-P295 HydrophobicContact CG-CG 3.92Å; E293-P295 WeakPolarHBondContact O-CD 3.41Å; E293-P295 WeakPolarHBondContact OE1-CG 3.36Å
296Y93.1Very high91Very high73 Ų7372.6 Ų72.629%0.28638%0.375SS..EExtended strand (participates in β ladder)trans-105.296.6-171.6-57.2-73.2000109.7R294 T304 F305 K307 K308R294-Y296 PolarHBondContact O-N 3.49Å; Y296-T304 CarbonylContact O-C 3.41Å; Y296-T304 WeakPolarHBondContact O-CA 3.42Å; Y296-F305 WeakPolarHBondContact CB-O 3.49Å; Y296-F305 WeakPolarHBondContact CD2-O 3.26Å; Y296-F305 PolarHBondContact N-O 3.3Å; Y296-F305 WeakPolarHBondContact O-CD2 3.36Å; Y296-F305 PolarHBondContact O-N 3.28Å; Y296-K307 VanDerWaalsContact CD2-C 3.42Å; Y296-K308 HydrophobicContact CD1-CB 3.84Å; Y296-K308 HydrophobicContact CD1-CG 4.18Å; Y296-K308 VanDerWaalsContact CD2-N 3.35Å; Y296-K308 HydrophobicContact CE1-CB 3.61Å; Y296-K308 HydrophobicContact CE1-CD 4.36Å; Y296-K308 HydrophobicContact CE1-CG 4.13Å; Y296-K308 HydrophobicContact CE2-CB 4.37Å; Y296-K308 HydrophobicContact CG-CB 4.3Å
297E94.9Very high90.8Very high103 Ų10376.8 Ų76.848%0.48139%0.393SS..EExtended strand (participates in β ladder)trans-91.3143.2178.3-171.1173.1163.100112.2T304 L311E297-T304 HydrophobicContact CB-CG2 3.97Å; E297-T304 HydrophobicContact CG-CG2 3.89Å; E297-L311 WeakPolarHBondContact O-CD2 3.39Å
298C94.4Very high90.8Very high0 Ų080 Ų800%041%0.406CS..  trans-89.1115169.2179.20000110.3E300 C301 A302 K303 F305 L311 H318C298-E300 PolarHBondContact O-N 2.81Å; C298-E300 VanDerWaalsContact O-N 3.08Å; C298-C301 PolarHBondContact O-N 3.13Å; C298-A302 WeakPolarHBondContact O-CA 3.2Å; C298-A302 PolarHBondContact O-N 2.95Å; C298-K303 WeakPolarHBondContact CB-O 3.4Å; C298-K303 PolarHBondContact N-O 3.43Å; C298-F305 HydrophobicContact CB-CE2 4.32Å; C298-L311 HydrophobicContact CB-CD1 3.61Å; C298-H318 PolarHBondContact SG-NE2 3.39Å
299N92.9Very high90.7Very high150 Ų15081 Ų8180%0.80242%0.42SS*.THydrogen-bonded Turntrans-60.8-20.9-179.4-60.5-10.7000114.2
300E92.2Very high90.9Very high121 Ų12179.5 Ų79.557%0.56541%0.412SS*.THydrogen-bonded Turntrans-90-26.6-175.8-64.5176.8-12200113.7C298 H318C298-E300 PolarHBondContact O-N 2.81Å; C298-E300 VanDerWaalsContact O-N 3.08Å; E300-H318 IonicContact OE1-CD2 2.81Å; E300-H318 WeakPolarHBondContact OE2-CB 3.3Å; E300-H318 IonicContact OE2-CD2 3.93Å; E300-H318 PolarHBondContact OE2-CD2 3.4Å; E300-H318 IonicContact OE2-CG 3.25Å; E300-H318 VanDerWaalsContact OE2-CG 3.25Å
301C93.8Very high91Very high49 Ų4977 Ų7733%0.33140%0.401SS..THydrogen-bonded Turntrans-138.813.818071.40000114.6C298 K303 H314C298-C301 PolarHBondContact O-N 3.13Å; C301-K303 PolarHBondContact O-N 3.5Å; C301-H314 PolarHBondContact SG-NE2 3.05Å
302A91.9Very high91.1Very high60 Ų6076.4 Ų76.450%0.49639%0.394SS..  trans53.512.4-177.900000115.2C298 T304C298-A302 WeakPolarHBondContact O-CA 3.2Å; C298-A302 PolarHBondContact O-N 2.95Å; A302-T304 PolarHBondContact O-N 3.23Å
303K92.5Very high91.2Very high126 Ų12677.3 Ų77.355%0.54839%0.389SS..  trans-70.6132.7177.4-77.9-178-176.6172.50110.4C298 C301 F305C298-K303 WeakPolarHBondContact CB-O 3.4Å; C298-K303 PolarHBondContact N-O 3.43Å; C301-K303 PolarHBondContact O-N 3.5Å; K303-F305 HydrophobicContact CB-CE2 4.03Å; K303-F305 HydrophobicContact CB-CZ 4.14Å; K303-F305 VanDerWaalsContact O-CE2 3.31Å; K303-F305 WeakPolarHBondContact O-CE2 3.42Å
304T92.3Very high91.3Very high53 Ų5373.3 Ų73.333%0.32537%0.37SS..EExtended strand (participates in β ladder)trans-109.7142.7-175.156.60000112.9R294 Y296 E297 A302R294-T304 WeakPolarHBondContact CD-OG1 3.45Å; R294-T304 PolarHBondContact NE-O 3.39Å; Y296-T304 CarbonylContact O-C 3.41Å; Y296-T304 WeakPolarHBondContact O-CA 3.42Å; E297-T304 HydrophobicContact CB-CG2 3.97Å; E297-T304 HydrophobicContact CG-CG2 3.89Å; A302-T304 PolarHBondContact O-N 3.23Å
305F90.4Very high91.5Very high38 Ų3871 Ų7117%0.16736%0.364CS..EExtended strand (participates in β ladder)trans-128.1149.6-173.1-58.4-89.1000112.1R294 Y296 C298 K303 N310 L311 H314R294-F305 CarbonylContact C-O 3.53Å; R294-F305 WeakPolarHBondContact CA-O 2.97Å; Y296-F305 WeakPolarHBondContact CB-O 3.49Å; Y296-F305 WeakPolarHBondContact CD2-O 3.26Å; Y296-F305 PolarHBondContact N-O 3.3Å; Y296-F305 WeakPolarHBondContact O-CD2 3.36Å; Y296-F305 PolarHBondContact O-N 3.28Å; C298-F305 HydrophobicContact CB-CE2 4.32Å; K303-F305 HydrophobicContact CB-CE2 4.03Å; K303-F305 HydrophobicContact CB-CZ 4.14Å; K303-F305 VanDerWaalsContact O-CE2 3.31Å; K303-F305 WeakPolarHBondContact O-CE2 3.42Å; F305-N310 HydrophobicContact CB-CB 4.24Å; F305-N310 HydrophobicContact CD1-CB 3.86Å; F305-N310 HydrophobicContact CG-CB 4.3Å; F305-L311 HydrophobicContact CB-CB 4.44Å; F305-L311 HydrophobicContact CD2-CB 3.88Å; F305-L311 HydrophobicContact CD2-CD1 3.88Å; F305-L311 HydrophobicContact CD2-CG 4.49Å; F305-L311 HydrophobicContact CE2-CD1 3.96Å; F305-L311 HydrophobicContact CG-CB 4.31Å; F305-H314 HydrophobicContact CE1-CB 3.92Å; F305-H314 HydrophobicContact CE2-CB 3.9Å; F305-H314 AromaticContact CE2-CD2 3.49Å; F305-H314 VanDerWaalsContact CE2-CD2 3.49Å; F305-H314 WeakPolarHBondContact CE2-CD2 3.26Å; F305-H314 AromaticContact CE2-CG 3.7Å; F305-H314 HydrophobicContact CZ-CB 3.39Å; F305-H314 AromaticContact CZ-CD2 3.46Å; F305-H314 VanDerWaalsContact CZ-CD2 3.46Å; F305-H314 WeakPolarHBondContact CZ-CD2 3.26Å; F305-H314 AromaticContact CZ-CG 3.2Å; F305-H314 AromaticContact CZ-ND1 3.72Å
306F86.8Confident91.5Very high41 Ų4169.8 Ų69.818%0.1835%0.353CS..SBendtrans-76.6-21.7175.9-62.5-68.4000114.1R288 E293 R294R288-F306 HydrophobicContact CB-CD1 3.61Å; R288-F306 HydrophobicContact CB-CE1 4.12Å; R288-F306 PolarHBondContact NH1-O 3.44Å; R288-F306 WeakPolarHBondContact O-CE1 3.28Å; E293-F306 WeakPolarHBondContact O-CD1 3.46Å; E293-F306 VanDerWaalsContact O-CE1 3.27Å; E293-F306 WeakPolarHBondContact O-CE1 3.41Å; R294-F306 HydrophobicContact CG-CD1 3.63Å; R294-F306 HydrophobicContact CG-CD2 4.43Å; R294-F306 HydrophobicContact CG-CE1 3.37Å; R294-F306 HydrophobicContact CG-CE2 4.24Å; R294-F306 HydrophobicContact CG-CG 4.17Å; R294-F306 HydrophobicContact CG-CZ 3.73Å; R294-F306 VanDerWaalsContact CZ-CZ 3.45Å; R294-F306 VanDerWaalsContact NH1-CE2 3.29Å
307K87.1Confident91.3Very high106 Ų10671.2 Ų71.246%0.46136%0.364SS..SBendtrans-131.9136.3-176.1-69.4-177.8178-178.10110.4T285 Y296 S309 N310 L311T285-K307 HydrophobicContact CG2-CD 4.12Å; T285-K307 VanDerWaalsContact CG2-CE 3.42Å; T285-K307 HydrophobicContact CG2-CG 3.57Å; Y296-K307 VanDerWaalsContact CD2-C 3.42Å; K307-S309 VanDerWaalsContact C-N 3.27Å; K307-S309 PolarHBondContact O-N 2.86Å; K307-N310 HydrophobicContact CB-CB 4.43Å; K307-N310 WeakPolarHBondContact O-CB 3.43Å; K307-N310 PolarHBondContact O-N 2.86Å; K307-L311 PolarHBondContact O-N 3.49Å
308K89.2Confident91.1Very high130 Ų13069.6 Ų69.657%0.56536%0.356SS*.Hα-helixtrans-56.8-39.2174.2-169.7173.9179.4174.50112.7Y296 N310 L311 I312Y296-K308 HydrophobicContact CD1-CB 3.84Å; Y296-K308 HydrophobicContact CD1-CG 4.18Å; Y296-K308 VanDerWaalsContact CD2-N 3.35Å; Y296-K308 HydrophobicContact CE1-CB 3.61Å; Y296-K308 HydrophobicContact CE1-CD 4.36Å; Y296-K308 HydrophobicContact CE1-CG 4.13Å; Y296-K308 HydrophobicContact CE2-CB 4.37Å; Y296-K308 HydrophobicContact CG-CB 4.3Å; K308-N310 PolarHBondContact O-N 3.36Å; K308-L311 WeakPolarHBondContact O-CB 3.37Å; K308-L311 PolarHBondContact O-N 2.92Å; K308-I312 HydrophobicContact CG-CD1 4.13Å; K308-I312 WeakPolarHBondContact O-CG1 3.45Å; K308-I312 PolarHBondContact O-N 3.42Å
309S89.1Confident90.7Very high63 Ų6373.4 Ų73.444%0.44138%0.38SS..Hα-helixtrans-57.7-37.2176.857.80000112.6K307 I312 I313K307-S309 VanDerWaalsContact C-N 3.27Å; K307-S309 PolarHBondContact O-N 2.86Å; S309-I312 PolarHBondContact O-N 3.28Å; S309-I313 WeakPolarHBondContact O-CB 3.42Å; S309-I313 WeakPolarHBondContact O-CD1 3.44Å; S309-I313 VanDerWaalsContact O-CG1 3.27Å; S309-I313 WeakPolarHBondContact O-CG1 3.38Å; S309-I313 PolarHBondContact O-N 3.48Å
310N91.1Very high90.3Very high70 Ų7068.4 Ų68.437%0.37436%0.364SS..Hα-helixtrans-72.6-37.6-179.7-64.92.3000110.9F305 K307 K308 I313 H314F305-N310 HydrophobicContact CB-CB 4.24Å; F305-N310 HydrophobicContact CD1-CB 3.86Å; F305-N310 HydrophobicContact CG-CB 4.3Å; K307-N310 HydrophobicContact CB-CB 4.43Å; K307-N310 WeakPolarHBondContact O-CB 3.43Å; K307-N310 PolarHBondContact O-N 2.86Å; K308-N310 PolarHBondContact O-N 3.36Å; N310-I313 PolarHBondContact O-N 2.75Å; N310-H314 VanDerWaalsContact O-CB 3.28Å; N310-H314 WeakPolarHBondContact O-CB 3.49Å; N310-H314 PolarHBondContact O-N 3.03Å
311L93.4Very high90Very high19 Ų1966.7 Ų66.710%0.09936%0.356CS..Hα-helixtrans-60.6-48.7172171.861.7000111.1E297 C298 F305 K307 K308 I313 H314 Q315E297-L311 WeakPolarHBondContact O-CD2 3.39Å; C298-L311 HydrophobicContact CB-CD1 3.61Å; F305-L311 HydrophobicContact CB-CB 4.44Å; F305-L311 HydrophobicContact CD2-CB 3.88Å; F305-L311 HydrophobicContact CD2-CD1 3.88Å; F305-L311 HydrophobicContact CD2-CG 4.49Å; F305-L311 HydrophobicContact CE2-CD1 3.96Å; F305-L311 HydrophobicContact CG-CB 4.31Å; K307-L311 PolarHBondContact O-N 3.49Å; K308-L311 WeakPolarHBondContact O-CB 3.37Å; K308-L311 PolarHBondContact O-N 2.92Å; L311-I313 VanDerWaalsContact C-N 3.3Å; L311-I313 PolarHBondContact O-N 3.28Å; L311-H314 WeakPolarHBondContact O-CA 3.49Å; L311-H314 WeakPolarHBondContact O-CB 3.47Å; L311-H314 PolarHBondContact O-N 3.02Å; L311-Q315 HydrophobicContact CD1-CG 4.07Å; L311-Q315 HydrophobicContact CG-CG 4.47Å; L311-Q315 WeakPolarHBondContact O-CG 3.4Å; L311-Q315 PolarHBondContact O-N 3.22Å
312I91.3Very high89.7Confident82 Ų8270.4 Ų70.442%0.42137%0.366SS..Hα-helixtrans-58.9-43.3179.2-67.5167.6000111.1K308 S309 H314K308-I312 HydrophobicContact CG-CD1 4.13Å; K308-I312 WeakPolarHBondContact O-CG1 3.45Å; K308-I312 PolarHBondContact O-N 3.42Å; S309-I312 PolarHBondContact O-N 3.28Å; I312-H314 VanDerWaalsContact C-N 3.33Å
313I90.3Very high89.5Confident59 Ų5975.3 Ų75.330%0.30337%0.372SS..Hα-helixtrans-64.5-40.7176.1-73.4168.6000111.1S309 N310 L311 K316 Q335S309-I313 WeakPolarHBondContact O-CB 3.42Å; S309-I313 WeakPolarHBondContact O-CD1 3.44Å; S309-I313 VanDerWaalsContact O-CG1 3.27Å; S309-I313 WeakPolarHBondContact O-CG1 3.38Å; S309-I313 PolarHBondContact O-N 3.48Å; N310-I313 PolarHBondContact O-N 2.75Å; L311-I313 VanDerWaalsContact C-N 3.3Å; L311-I313 PolarHBondContact O-N 3.28Å; I313-K316 WeakPolarHBondContact O-CB 3.45Å; I313-K316 PolarHBondContact O-N 2.98Å; I313-Q335 HydrophobicContact CG2-CG 4.26Å
314H92.2Very high89.6Confident19 Ų1973.4 Ų73.49%0.08836%0.362CS..Hα-helixtrans-65.4-41.1178.9168.969.9000112.2C301 F305 N310 L311 I312 K316 I317 H318C301-H314 PolarHBondContact SG-NE2 3.05Å; F305-H314 HydrophobicContact CE1-CB 3.92Å; F305-H314 HydrophobicContact CE2-CB 3.9Å; F305-H314 AromaticContact CE2-CD2 3.49Å; F305-H314 VanDerWaalsContact CE2-CD2 3.49Å; F305-H314 WeakPolarHBondContact CE2-CD2 3.26Å; F305-H314 AromaticContact CE2-CG 3.7Å; F305-H314 HydrophobicContact CZ-CB 3.39Å; F305-H314 AromaticContact CZ-CD2 3.46Å; F305-H314 VanDerWaalsContact CZ-CD2 3.46Å; F305-H314 WeakPolarHBondContact CZ-CD2 3.26Å; F305-H314 AromaticContact CZ-CG 3.2Å; F305-H314 AromaticContact CZ-ND1 3.72Å; N310-H314 VanDerWaalsContact O-CB 3.28Å; N310-H314 WeakPolarHBondContact O-CB 3.49Å; N310-H314 PolarHBondContact O-N 3.03Å; L311-H314 WeakPolarHBondContact O-CA 3.49Å; L311-H314 WeakPolarHBondContact O-CB 3.47Å; L311-H314 PolarHBondContact O-N 3.02Å; I312-H314 VanDerWaalsContact C-N 3.33Å; H314-K316 PolarHBondContact O-N 3.38Å; H314-K316 VanDerWaalsContact O-N 3.14Å; H314-I317 WeakPolarHBondContact O-CB 3.46Å; H314-I317 WeakPolarHBondContact O-CG1 3.33Å; H314-I317 PolarHBondContact O-N 3.03Å; H314-H318 AromaticContact CD2-NE2 3.95Å; H314-H318 AromaticContact CE1-NE2 3.83Å; H314-H318 AromaticContact NE2-CE1 3.83Å; H314-H318 AromaticContact NE2-NE2 3.23Å; H314-H318 PolarHBondContact NE2-NE2 3.35Å
315Q91.8Very high89.7Confident67 Ų6777 Ų7731%0.31338%0.375SS..Hα-helixtrans-57.1-30.1178.3-75.3172.5-46.900112.5L311 I317 H318 T319L311-Q315 HydrophobicContact CD1-CG 4.07Å; L311-Q315 HydrophobicContact CG-CG 4.47Å; L311-Q315 WeakPolarHBondContact O-CG 3.4Å; L311-Q315 PolarHBondContact O-N 3.22Å; Q315-I317 PolarHBondContact O-N 3.26Å; Q315-I317 VanDerWaalsContact O-N 3.13Å; Q315-H318 PolarHBondContact O-N 3.45Å; Q315-T319 PolarHBondContact O-N 2.95Å
316K90.9Very high89.9Confident36 Ų3675.2 Ų75.216%0.15737%0.368CS..Hα-helixtrans-62.3-18.9174.5-61.8-179.1178.5-174.50114.2I313 H314 H318 T319 G320 E321 I334I313-K316 WeakPolarHBondContact O-CB 3.45Å; I313-K316 PolarHBondContact O-N 2.98Å; H314-K316 PolarHBondContact O-N 3.38Å; H314-K316 VanDerWaalsContact O-N 3.14Å; K316-H318 VanDerWaalsContact C-N 3.33Å; K316-T319 WeakPolarHBondContact CA-OG1 3.35Å; K316-G320 PolarHBondContact O-N 3.03Å; K316-G320 VanDerWaalsContact O-N 3.14Å; K316-E321 PolarHBondContact O-N 2.94Å; K316-I334 HydrophobicContact CB-CG2 3.64Å; K316-I334 HydrophobicContact CD-CG2 3.78Å; K316-I334 HydrophobicContact CG-CG2 4.37Å
317I89.3Confident90.2Very high103 Ų10378.7 Ų78.753%0.52840%0.397SS..Hα-helixtrans-68.3-38.4174-62.1171.1000109.9H314 Q315 I334H314-I317 WeakPolarHBondContact O-CB 3.46Å; H314-I317 WeakPolarHBondContact O-CG1 3.33Å; H314-I317 PolarHBondContact O-N 3.03Å; Q315-I317 PolarHBondContact O-N 3.26Å; Q315-I317 VanDerWaalsContact O-N 3.13Å; I317-I334 HydrophobicContact CB-CD1 4.39Å; I317-I334 HydrophobicContact CG1-CD1 3.61Å
318H89.5Confident90.5Very high69 Ų6979 Ų7932%0.31940%0.4SS..Hα-helixtrans-78.4-38.5-179.2-51.8-52.8000112.3C298 E300 H314 Q315 K316 G320C298-H318 PolarHBondContact SG-NE2 3.39Å; E300-H318 IonicContact OE1-CD2 2.81Å; E300-H318 WeakPolarHBondContact OE2-CB 3.3Å; E300-H318 IonicContact OE2-CD2 3.93Å; E300-H318 PolarHBondContact OE2-CD2 3.4Å; E300-H318 IonicContact OE2-CG 3.25Å; E300-H318 VanDerWaalsContact OE2-CG 3.25Å; H314-H318 AromaticContact CD2-NE2 3.95Å; H314-H318 AromaticContact CE1-NE2 3.83Å; H314-H318 AromaticContact NE2-CE1 3.83Å; H314-H318 AromaticContact NE2-NE2 3.23Å; H314-H318 PolarHBondContact NE2-NE2 3.35Å; Q315-H318 PolarHBondContact O-N 3.45Å; K316-H318 VanDerWaalsContact C-N 3.33Å; H318-G320 PolarHBondContact O-N 3.44Å
319T87.8Confident90.8Very high80 Ų8075.4 Ų75.449%0.49139%0.391SS..Hα-helixtrans-73.5-14.2176.367.90000113.1Q315 K316 E321Q315-T319 PolarHBondContact O-N 2.95Å; K316-T319 WeakPolarHBondContact CA-OG1 3.35Å; T319-E321 PolarHBondContact O-N 3.47Å; T319-E321 WeakPolarHBondContact OG1-CB 3.25Å; T319-E321 WeakPolarHBondContact OG1-CG 3.48Å; T319-E321 PolarHBondContact OG1-N 2.94Å
320G84.3Confident90.9Very high46 Ų4674.2 Ų74.247%0.47439%0.388SS..  trans696.8-174.700000114.3K316 H318 K322K316-G320 PolarHBondContact O-N 3.03Å; K316-G320 VanDerWaalsContact O-N 3.14Å; H318-G320 PolarHBondContact O-N 3.44Å; G320-K322 PolarHBondContact O-N 3.44Å
321E85.8Confident91.1Very high85 Ų8576.8 Ų76.840%0.39740%0.396SS..  trans-63.3105.1-178.9-80.1-173.6-16000112K316 T319 R323K316-E321 PolarHBondContact O-N 2.94Å; T319-E321 PolarHBondContact O-N 3.47Å; T319-E321 WeakPolarHBondContact OG1-CB 3.25Å; T319-E321 WeakPolarHBondContact OG1-CG 3.48Å; T319-E321 PolarHBondContact OG1-N 2.94Å; E321-R323 IonicContact OE2-CZ 3.49Å; E321-R323 IonicContact OE2-NE 3.27Å; E321-R323 PolarHBondContact OE2-NE 3.4Å; E321-R323 VanDerWaalsContact OE2-NE 3.17Å; E321-R323 IonicContact OE2-NH2 3.82Å; E321-R323 PolarHBondContact OE2-NH2 3.35Å
322K86.4Confident91.1Very high126 Ų12677.8 Ų77.855%0.54841%0.405SS..  trans-113.197.1174.7-69165.5172.2-1750109.7G320 S332 F333 I334G320-K322 PolarHBondContact O-N 3.44Å; K322-S332 VanDerWaalsContact CB-CB 3.45Å; K322-S332 WeakPolarHBondContact CD-O 3.4Å; K322-F333 CarbonylContact C-O 3.22Å; K322-F333 WeakPolarHBondContact CA-O 3.3Å; K322-I334 HydrophobicContact CG-CG1 4Å
323R89.1Confident91.1Very high164 Ų16475.9 Ų75.962%0.61939%0.394SS*.  trans-86.3-12.1-172.9-56.6-174.9-166.7-171.8-2.3114.1E321 F333E321-R323 IonicContact OE2-CZ 3.49Å; E321-R323 IonicContact OE2-NE 3.27Å; E321-R323 PolarHBondContact OE2-NE 3.4Å; E321-R323 VanDerWaalsContact OE2-NE 3.17Å; E321-R323 IonicContact OE2-NH2 3.82Å; E321-R323 PolarHBondContact OE2-NH2 3.35Å; R323-F333 PolarHBondContact N-O 3.2Å
324Y93.3Very high91.2Very high86 Ų8674.5 Ų74.534%0.33739%0.386SS..EExtended strand (participates in β ladder)trans-112.895.8-172.4-59.3-76.7000109.6S332 F333 I334 N336Y324-S332 CarbonylContact O-C 3.49Å; Y324-S332 WeakPolarHBondContact O-CA 3.38Å; Y324-F333 PolarHBondContact N-O 3.03Å; Y324-F333 VanDerWaalsContact N-O 3.15Å; Y324-F333 PolarHBondContact O-N 3.37Å; Y324-I334 WeakPolarHBondContact CD2-O 3.33Å; Y324-I334 WeakPolarHBondContact CE2-O 3.3Å; Y324-N336 HydrophobicContact CD1-CB 3.76Å; Y324-N336 VanDerWaalsContact CD2-N 3.27Å; Y324-N336 HydrophobicContact CE1-CB 3.57Å; Y324-N336 HydrophobicContact CE2-CB 4.32Å; Y324-N336 VanDerWaalsContact CE2-N 3.32Å; Y324-N336 HydrophobicContact CG-CB 4.23Å
325E94.8Very high91.1Very high129 Ų12976.8 Ų76.860%0.60340%0.397SS*.EExtended strand (participates in β ladder)trans-93138.9-178.7-169.6176.2166.800112
326C95.3Very high91.2Very high0 Ų077.3 Ų77.30%040%0.402CS..  trans-79.2119.51701770000109.9E328 C329 G330 K331 F333 L339 M343C326-E328 PolarHBondContact O-N 3.46Å; C326-E328 PolarHBondContact SG-N 2.96Å; C326-C329 VanDerWaalsContact SG-SG 3.6Å; C326-G330 VanDerWaalsContact O-CA 3.27Å; C326-G330 WeakPolarHBondContact O-CA 3.45Å; C326-G330 PolarHBondContact O-N 3.23Å; C326-K331 HydrophobicContact CB-CB 4.46Å; C326-K331 WeakPolarHBondContact CB-O 3.47Å; C326-K331 PolarHBondContact N-O 3.16Å; C326-F333 HydrophobicContact CB-CE2 4.47Å; C326-L339 HydrophobicContact CB-CD1 3.76Å; C326-M343 HydrophobicContact CB-SD 4.37Å
327S93.3Very high91.2Very high114 Ų11478.3 Ų78.380%0.79741%0.414SS*.THydrogen-bonded Turntrans-65.3-22.317852.70000113.9
328E92.9Very high91.4Very high112 Ų11277.1 Ų77.152%0.52341%0.406SS..THydrogen-bonded Turntrans-87.7-32-177-68.4-171.3-142.600114.1C326 M343 H346C326-E328 PolarHBondContact O-N 3.46Å; C326-E328 PolarHBondContact SG-N 2.96Å; E328-M343 HydrophobicContact CG-CE 4.24Å; E328-M343 WeakPolarHBondContact OE1-CE 3.39Å; E328-H346 WeakPolarHBondContact OE2-CB 3.45Å; E328-H346 IonicContact OE2-CE1 3.25Å; E328-H346 IonicContact OE2-CG 2.73Å; E328-H346 IonicContact OE2-ND1 3.75Å; E328-H346 PolarHBondContact OE2-ND1 3.04Å
329C94.9Very high91.7Very high55 Ų5574.9 Ų74.937%0.37240%0.396SS..THydrogen-bonded Turntrans-132.66.9-177.170.30000115.1C326 K331 H342 H346C326-C329 VanDerWaalsContact SG-SG 3.6Å; C329-K331 PolarHBondContact O-N 3.33Å; C329-K331 VanDerWaalsContact O-N 3.09Å; C329-K331 VanDerWaalsContact SG-CG 3.58Å; C329-H342 PolarHBondContact SG-NE2 3.02Å; C329-H346 PolarHBondContact SG-NE2 3.02Å
330G92.3Very high92Very high38 Ų3875.1 Ų75.139%0.39239%0.394SS..  trans67.84.417900000114.8C326 S332C326-G330 VanDerWaalsContact O-CA 3.27Å; C326-G330 WeakPolarHBondContact O-CA 3.45Å; C326-G330 PolarHBondContact O-N 3.23Å; G330-S332 PolarHBondContact O-N 3.34Å
331K93.6Very high92.5Very high124 Ų12475.8 Ų75.854%0.53939%0.385SS..  trans-71.2126179.7-74.1179.8-175.5170.30110.7C326 C329 F333C326-K331 HydrophobicContact CB-CB 4.46Å; C326-K331 WeakPolarHBondContact CB-O 3.47Å; C326-K331 PolarHBondContact N-O 3.16Å; C329-K331 PolarHBondContact O-N 3.33Å; C329-K331 VanDerWaalsContact O-N 3.09Å; C329-K331 VanDerWaalsContact SG-CG 3.58Å; K331-F333 HydrophobicContact CB-CE2 3.97Å; K331-F333 HydrophobicContact CB-CZ 4.07Å; K331-F333 VanDerWaalsContact O-CE2 3.28Å; K331-F333 WeakPolarHBondContact O-CE2 3.32Å
332S93.4Very high92.9Very high40 Ų4072.8 Ų72.828%0.2837%0.372SS..EExtended strand (participates in β ladder)trans-102.4143.6179.3-310000113K322 Y324 G330K322-S332 VanDerWaalsContact CB-CB 3.45Å; K322-S332 WeakPolarHBondContact CD-O 3.4Å; Y324-S332 CarbonylContact O-C 3.49Å; Y324-S332 WeakPolarHBondContact O-CA 3.38Å; G330-S332 PolarHBondContact O-N 3.34Å
333F92.8Very high93.3Very high42 Ų4268.9 Ų68.918%0.18436%0.356CS..EExtended strand (participates in β ladder)trans-125.6155.6-176.9-57.7-88.3000111.8K322 R323 Y324 C326 K331 Q338 L339 H342K322-F333 CarbonylContact C-O 3.22Å; K322-F333 WeakPolarHBondContact CA-O 3.3Å; R323-F333 PolarHBondContact N-O 3.2Å; Y324-F333 PolarHBondContact N-O 3.03Å; Y324-F333 VanDerWaalsContact N-O 3.15Å; Y324-F333 PolarHBondContact O-N 3.37Å; C326-F333 HydrophobicContact CB-CE2 4.47Å; K331-F333 HydrophobicContact CB-CE2 3.97Å; K331-F333 HydrophobicContact CB-CZ 4.07Å; K331-F333 VanDerWaalsContact O-CE2 3.28Å; K331-F333 WeakPolarHBondContact O-CE2 3.32Å; F333-Q338 HydrophobicContact CB-CB 3.93Å; F333-Q338 HydrophobicContact CD1-CB 3.78Å; F333-Q338 HydrophobicContact CG-CB 4.06Å; F333-L339 HydrophobicContact CD2-CB 3.93Å; F333-L339 HydrophobicContact CD2-CD1 3.93Å; F333-L339 HydrophobicContact CE2-CD1 4.04Å; F333-L339 HydrophobicContact CG-CB 4.43Å; F333-H342 HydrophobicContact CE1-CB 4.05Å; F333-H342 HydrophobicContact CE2-CB 3.87Å; F333-H342 AromaticContact CE2-CD2 3.26Å; F333-H342 WeakPolarHBondContact CE2-CD2 3.17Å; F333-H342 AromaticContact CE2-CG 3.69Å; F333-H342 HydrophobicContact CZ-CB 3.46Å; F333-H342 VanDerWaalsContact CZ-CB 3.46Å; F333-H342 AromaticContact CZ-CD2 3.31Å; F333-H342 WeakPolarHBondContact CZ-CD2 3.17Å; F333-H342 AromaticContact CZ-CG 3.28Å; F333-H342 AromaticContact CZ-NE2 3.96Å
334I90.8Very high93.6Very high29 Ų2963.2 Ų63.215%0.14933%0.334CS..SBendtrans-78.9-30.6-179.8-62.3175.6000111K316 I317 K322 Y324K316-I334 HydrophobicContact CB-CG2 3.64Å; K316-I334 HydrophobicContact CD-CG2 3.78Å; K316-I334 HydrophobicContact CG-CG2 4.37Å; I317-I334 HydrophobicContact CB-CD1 4.39Å; I317-I334 HydrophobicContact CG1-CD1 3.61Å; K322-I334 HydrophobicContact CG-CG1 4Å; Y324-I334 WeakPolarHBondContact CD2-O 3.33Å; Y324-I334 WeakPolarHBondContact CE2-O 3.3Å
335Q91.4Very high93.7Very high68 Ų6863.7 Ų63.732%0.31835%0.346SS..SBendtrans-125144-178.9-59.5179.211.500111.9I313 S337 Q338 L339I313-Q335 HydrophobicContact CG2-CG 4.26Å; Q335-S337 VanDerWaalsContact C-N 3.27Å; Q335-S337 PolarHBondContact O-N 3.38Å; Q335-S337 PolarHBondContact OE1-OG 3.13Å; Q335-Q338 HydrophobicContact CB-CG 4.13Å; Q335-Q338 WeakPolarHBondContact O-CB 3.28Å; Q335-Q338 PolarHBondContact O-N 2.81Å; Q335-Q338 VanDerWaalsContact O-N 3.1Å; Q335-L339 PolarHBondContact O-N 3.02Å
336N92.9Very high93.6Very high77 Ų7760.6 Ų60.641%0.41233%0.332SS..Hα-helixtrans-59.8-37176.3-167.439.6000112.7Y324 Q338 L339 I340Y324-N336 HydrophobicContact CD1-CB 3.76Å; Y324-N336 VanDerWaalsContact CD2-N 3.27Å; Y324-N336 HydrophobicContact CE1-CB 3.57Å; Y324-N336 HydrophobicContact CE2-CB 4.32Å; Y324-N336 VanDerWaalsContact CE2-N 3.32Å; Y324-N336 HydrophobicContact CG-CB 4.23Å; N336-Q338 PolarHBondContact O-N 2.89Å; N336-L339 WeakPolarHBondContact O-CB 3.38Å; N336-L339 PolarHBondContact O-N 3.35Å; N336-L339 VanDerWaalsContact O-N 3.12Å; N336-I340 WeakPolarHBondContact O-CG1 3.23Å; N336-I340 PolarHBondContact O-N 3.5Å
337S91.8Very high93.6Very high58 Ų5864.5 Ų64.541%0.40636%0.356SS..Hα-helixtrans-58.2-35.8176.953.30000112.7Q335 I341Q335-S337 VanDerWaalsContact C-N 3.27Å; Q335-S337 PolarHBondContact O-N 3.38Å; Q335-S337 PolarHBondContact OE1-OG 3.13Å; S337-I341 WeakPolarHBondContact O-CB 3.07Å; S337-I341 WeakPolarHBondContact O-CD1 3.49Å; S337-I341 VanDerWaalsContact O-CG1 3.23Å; S337-I341 WeakPolarHBondContact O-CG1 3.3Å; S337-I341 PolarHBondContact O-N 3Å
338Q93.6Very high93.5Very high77 Ų7761.3 Ų61.336%0.3634%0.341SS..Hα-helixtrans-69.7-42176.7-64.8169.9-21.800110.8F333 Q335 N336 I341 H342F333-Q338 HydrophobicContact CB-CB 3.93Å; F333-Q338 HydrophobicContact CD1-CB 3.78Å; F333-Q338 HydrophobicContact CG-CB 4.06Å; Q335-Q338 HydrophobicContact CB-CG 4.13Å; Q335-Q338 WeakPolarHBondContact O-CB 3.28Å; Q335-Q338 PolarHBondContact O-N 2.81Å; Q335-Q338 VanDerWaalsContact O-N 3.1Å; N336-Q338 PolarHBondContact O-N 2.89Å; Q338-I341 PolarHBondContact O-N 3.21Å; Q338-H342 VanDerWaalsContact O-CB 3.29Å; Q338-H342 WeakPolarHBondContact O-CB 3.43Å; Q338-H342 PolarHBondContact O-N 3.37Å
339L95.1Very high93.6Very high22 Ų2261.5 Ų61.512%0.11534%0.342CS..Hα-helixtrans-59.9-49.7173.4173.961.2000110.9C326 F333 Q335 N336 I341 H342 M343C326-L339 HydrophobicContact CB-CD1 3.76Å; F333-L339 HydrophobicContact CD2-CB 3.93Å; F333-L339 HydrophobicContact CD2-CD1 3.93Å; F333-L339 HydrophobicContact CE2-CD1 4.04Å; F333-L339 HydrophobicContact CG-CB 4.43Å; Q335-L339 PolarHBondContact O-N 3.02Å; N336-L339 WeakPolarHBondContact O-CB 3.38Å; N336-L339 PolarHBondContact O-N 3.35Å; N336-L339 VanDerWaalsContact O-N 3.12Å; L339-I341 VanDerWaalsContact C-N 3.33Å; L339-I341 PolarHBondContact O-N 2.72Å; L339-H342 CarbonylContact O-C 3.58Å; L339-H342 WeakPolarHBondContact O-CA 3.48Å; L339-H342 WeakPolarHBondContact O-CB 3.38Å; L339-H342 PolarHBondContact O-N 3.44Å; L339-M343 HydrophobicContact CD1-CG 4.15Å; L339-M343 HydrophobicContact CD1-SD 4.06Å; L339-M343 HydrophobicContact CG-CG 4.4Å; L339-M343 WeakPolarHBondContact O-CG 3.34Å; L339-M343 PolarHBondContact O-N 3.18Å
340I93.9Very high93.6Very high86 Ų8664.4 Ų64.444%0.44135%0.348SS..Hα-helixtrans-59-43.1178.8-64.9-62.1000111.9N336 H342 M343N336-I340 WeakPolarHBondContact O-CG1 3.23Å; N336-I340 PolarHBondContact O-N 3.5Å; I340-H342 VanDerWaalsContact C-N 3.3Å; I340-H342 PolarHBondContact O-N 3.47Å; I340-M343 PolarHBondContact O-N 3.39Å
341I94.6Very high93.7Very high59 Ų5966.1 Ų66.130%0.30335%0.353SS..Hα-helixtrans-64.4-38.7175.7-70.1166000110.8S337 Q338 L339 R344 Q363S337-I341 WeakPolarHBondContact O-CB 3.07Å; S337-I341 WeakPolarHBondContact O-CD1 3.49Å; S337-I341 VanDerWaalsContact O-CG1 3.23Å; S337-I341 WeakPolarHBondContact O-CG1 3.3Å; S337-I341 PolarHBondContact O-N 3Å; Q338-I341 PolarHBondContact O-N 3.21Å; L339-I341 VanDerWaalsContact C-N 3.33Å; L339-I341 PolarHBondContact O-N 2.72Å; I341-R344 WeakPolarHBondContact O-CB 3.47Å; I341-R344 PolarHBondContact O-N 3.07Å; I341-Q363 HydrophobicContact CG2-CG 3.88Å
342H94.8Very high93.8Very high23 Ų2363.7 Ų63.711%0.10634%0.34CS..Hα-helixtrans-67.1-39.2176.2170.655.5000112.4C329 F333 Q338 L339 I340 R344 T345 H346C329-H342 PolarHBondContact SG-NE2 3.02Å; F333-H342 HydrophobicContact CE1-CB 4.05Å; F333-H342 HydrophobicContact CE2-CB 3.87Å; F333-H342 AromaticContact CE2-CD2 3.26Å; F333-H342 WeakPolarHBondContact CE2-CD2 3.17Å; F333-H342 AromaticContact CE2-CG 3.69Å; F333-H342 HydrophobicContact CZ-CB 3.46Å; F333-H342 VanDerWaalsContact CZ-CB 3.46Å; F333-H342 AromaticContact CZ-CD2 3.31Å; F333-H342 WeakPolarHBondContact CZ-CD2 3.17Å; F333-H342 AromaticContact CZ-CG 3.28Å; F333-H342 AromaticContact CZ-NE2 3.96Å; Q338-H342 VanDerWaalsContact O-CB 3.29Å; Q338-H342 WeakPolarHBondContact O-CB 3.43Å; Q338-H342 PolarHBondContact O-N 3.37Å; L339-H342 CarbonylContact O-C 3.58Å; L339-H342 WeakPolarHBondContact O-CA 3.48Å; L339-H342 WeakPolarHBondContact O-CB 3.38Å; L339-H342 PolarHBondContact O-N 3.44Å; I340-H342 VanDerWaalsContact C-N 3.3Å; I340-H342 PolarHBondContact O-N 3.47Å; H342-R344 PolarHBondContact O-N 3.22Å; H342-T345 PolarHBondContact ND1-OG1 3.34Å; H342-T345 WeakPolarHBondContact O-CB 3.24Å; H342-T345 PolarHBondContact O-N 3.42Å; H342-T345 PolarHBondContact O-OG1 3.17Å; H342-H346 AromaticContact CE1-CD2 3.89Å; H342-H346 AromaticContact CE1-NE2 3.42Å; H342-H346 PolarHBondContact CE1-NE2 3.4Å; H342-H346 AromaticContact NE2-CD2 3.87Å; H342-H346 AromaticContact NE2-NE2 3.38Å; H342-H346 PolarHBondContact NE2-NE2 3.39Å
343M95.3Very high94Very high43 Ų4367.5 Ų67.521%0.21235%0.354CS..Hα-helixtrans-56.9-27.9176.5-68.6-52.6-59.800112.3C326 E328 L339 I340 T345 H346 T347C326-M343 HydrophobicContact CB-SD 4.37Å; E328-M343 HydrophobicContact CG-CE 4.24Å; E328-M343 WeakPolarHBondContact OE1-CE 3.39Å; L339-M343 HydrophobicContact CD1-CG 4.15Å; L339-M343 HydrophobicContact CD1-SD 4.06Å; L339-M343 HydrophobicContact CG-CG 4.4Å; L339-M343 WeakPolarHBondContact O-CG 3.34Å; L339-M343 PolarHBondContact O-N 3.18Å; I340-M343 PolarHBondContact O-N 3.39Å; M343-T345 PolarHBondContact O-N 3.47Å; M343-H346 WeakPolarHBondContact O-CB 3.46Å; M343-H346 PolarHBondContact O-N 2.89Å; M343-T347 PolarHBondContact O-N 3.49Å; M343-T347 PolarHBondContact O-OG1 3.12Å
344R95.2Very high94.2Very high45 Ų4565.6 Ų65.617%0.1735%0.345CS..Hα-helixtrans-63.8-20.3173.5-60.9178.7-179.5163.61.6114.1I341 H342 H346 G348 E349 S362I341-R344 WeakPolarHBondContact O-CB 3.47Å; I341-R344 PolarHBondContact O-N 3.07Å; H342-R344 PolarHBondContact O-N 3.22Å; R344-H346 VanDerWaalsContact C-N 3.27Å; R344-G348 WeakPolarHBondContact O-CA 3.41Å; R344-G348 PolarHBondContact O-N 3.13Å; R344-E349 HydrophobicContact CB-CB 4.41Å; R344-E349 HydrophobicContact CG-CB 4.19Å; R344-E349 PolarHBondContact O-N 3.28Å; R344-S362 WeakPolarHBondContact CD-O 3.43Å; R344-S362 PolarHBondContact NH1-O 3.12Å
345T94.4Very high94.4Very high97 Ų9770.7 Ų70.760%0.59538%0.378SS*.Hα-helixtrans-74.8-23.3173.568.50000112.2H342 M343H342-T345 PolarHBondContact ND1-OG1 3.34Å; H342-T345 WeakPolarHBondContact O-CB 3.24Å; H342-T345 PolarHBondContact O-N 3.42Å; H342-T345 PolarHBondContact O-OG1 3.17Å; M343-T345 PolarHBondContact O-N 3.47Å
346H94.2Very high94.5Very high64 Ų6472.9 Ų72.930%0.29639%0.389SS..Hα-helixtrans-85.4-51.2176.3-72.5-80.4000111.3E328 C329 H342 M343 R344 G348E328-H346 WeakPolarHBondContact OE2-CB 3.45Å; E328-H346 IonicContact OE2-CE1 3.25Å; E328-H346 IonicContact OE2-CG 2.73Å; E328-H346 IonicContact OE2-ND1 3.75Å; E328-H346 PolarHBondContact OE2-ND1 3.04Å; C329-H346 PolarHBondContact SG-NE2 3.02Å; H342-H346 AromaticContact CE1-CD2 3.89Å; H342-H346 AromaticContact CE1-NE2 3.42Å; H342-H346 PolarHBondContact CE1-NE2 3.4Å; H342-H346 AromaticContact NE2-CD2 3.87Å; H342-H346 AromaticContact NE2-NE2 3.38Å; H342-H346 PolarHBondContact NE2-NE2 3.39Å; M343-H346 WeakPolarHBondContact O-CB 3.46Å; M343-H346 PolarHBondContact O-N 2.89Å; R344-H346 VanDerWaalsContact C-N 3.27Å; H346-G348 VanDerWaalsContact C-N 3.26Å; H346-G348 PolarHBondContact O-N 3Å
347T93.4Very high94.6Very high81 Ų8171.8 Ų71.850%0.49739%0.386SS..Hα-helixtrans-74.3-17.1-178.563.40000113.5M343 E349M343-T347 PolarHBondContact O-N 3.49Å; M343-T347 PolarHBondContact O-OG1 3.12Å; T347-E349 PolarHBondContact O-N 3.07Å; T347-E349 WeakPolarHBondContact OG1-CB 3.42Å; T347-E349 WeakPolarHBondContact OG1-CG 3.36Å; T347-E349 PolarHBondContact OG1-N 2.9Å
348G92.6Very high94.7Very high48 Ų4870.9 Ų70.950%0.49539%0.386SS..  trans71.87-172.700000113.9R344 H346 K350R344-G348 WeakPolarHBondContact O-CA 3.41Å; R344-G348 PolarHBondContact O-N 3.13Å; H346-G348 VanDerWaalsContact C-N 3.26Å; H346-G348 PolarHBondContact O-N 3Å; G348-K350 PolarHBondContact O-N 2.76Å
349E94.4Very high94.8Very high115 Ų11573.1 Ų73.154%0.53739%0.394SS..  trans-58.8126.7179.8-82.6-172.117100112.1R344 T347R344-E349 HydrophobicContact CB-CB 4.41Å; R344-E349 HydrophobicContact CG-CB 4.19Å; R344-E349 PolarHBondContact O-N 3.28Å; T347-E349 PolarHBondContact O-N 3.07Å; T347-E349 WeakPolarHBondContact OG1-CB 3.42Å; T347-E349 WeakPolarHBondContact OG1-CG 3.36Å; T347-E349 PolarHBondContact OG1-N 2.9Å
350K94.7Very high94.8Very high117 Ų11775 Ų7551%0.50941%0.407SS..  trans-12976.4177.3-69.4175.2-177.7177.80110.8G348 Y352 T360 F361G348-K350 PolarHBondContact O-N 2.76Å; K350-Y352 PolarHBondContact O-N 2.69Å; K350-Y352 VanDerWaalsContact O-N 3.07Å; K350-T360 WeakPolarHBondContact CB-OG1 3.36Å; K350-T360 WeakPolarHBondContact CD-OG1 3.47Å; K350-F361 CarbonylContact C-O 3.36Å; K350-F361 VanDerWaalsContact CA-O 3.29Å; K350-F361 WeakPolarHBondContact CA-O 3.49Å
351P94.1Very high94.9Very high74 Ų7472.9 Ų72.948%0.48140%0.395SS..  trans-69.6-9.1-170-19.933.5000114.9
352Y96.4Very high94.9Very high72 Ų7271.8 Ų71.828%0.28239%0.392SS..EExtended strand (participates in β ladder)trans-110.1104.1-172.7-55-73.3000110.3K350 T360 F361 R364K350-Y352 PolarHBondContact O-N 2.69Å; K350-Y352 VanDerWaalsContact O-N 3.07Å; Y352-T360 CarbonylContact O-C 3.2Å; Y352-T360 WeakPolarHBondContact O-CA 3.45Å; Y352-F361 WeakPolarHBondContact CD2-O 3.49Å; Y352-F361 PolarHBondContact N-O 2.96Å; Y352-F361 VanDerWaalsContact N-O 3.14Å; Y352-F361 PolarHBondContact O-N 3.42Å; Y352-R364 HydrophobicContact CD1-CB 4.09Å; Y352-R364 HydrophobicContact CD1-CG 4.4Å; Y352-R364 HydrophobicContact CE1-CB 3.91Å; Y352-R364 HydrophobicContact CE1-CG 4.4Å; Y352-R364 HydrophobicContact CE2-CB 4.36Å; Y352-R364 HydrophobicContact CG-CB 4.4Å
353E96.7Very high94.9Very high121 Ų12174 Ų7457%0.56540%0.403SS*.EExtended strand (participates in β ladder)trans-93.8141.5178.7-171.1176.9167.100112T360 L367E353-T360 HydrophobicContact CB-CG2 4.16Å; E353-T360 HydrophobicContact CG-CG2 4.09Å; E353-L367 WeakPolarHBondContact O-CD2 3.19Å
354C96.8Very high94.8Very high1 Ų180.1 Ų80.11%0.00742%0.423CS..  trans-83118.1167.6177.80000109.8E356 C357 G358 K359 F361 L367C354-E356 PolarHBondContact O-N 3.25Å; C354-C357 PolarHBondContact O-N 3.12Å; C354-C357 VanDerWaalsContact SG-SG 3.62Å; C354-G358 VanDerWaalsContact O-CA 3.26Å; C354-G358 WeakPolarHBondContact O-CA 3.26Å; C354-G358 PolarHBondContact O-N 3.29Å; C354-K359 WeakPolarHBondContact CB-O 3.41Å; C354-K359 PolarHBondContact N-O 3.16Å; C354-F361 HydrophobicContact CB-CE2 4.3Å; C354-L367 HydrophobicContact CB-CD1 3.7Å
355T95Very high94.7Very high136 Ų13681.3 Ų81.383%0.83444%0.439SS*.THydrogen-bonded Turntrans-66.1-20.2179.6520000113.7
356E94.1Very high94.7Very high115 Ų11579.2 Ų79.254%0.53743%0.425SS..THydrogen-bonded Turntrans-88.6-28.8-177.5-62.4-172.1-146.200113.6C354 H374C354-E356 PolarHBondContact O-N 3.25Å; E356-H374 WeakPolarHBondContact OE2-CB 3.46Å; E356-H374 IonicContact OE2-CD2 3.27Å; E356-H374 IonicContact OE2-CG 3.81Å; E356-H374 IonicContact OE2-ND1 2.82Å; E356-H374 PolarHBondContact OE2-ND1 2.74Å
357C95.5Very high94.8Very high54 Ų5477.2 Ų77.237%0.36542%0.417SS..THydrogen-bonded Turntrans-136.16.8-177.1710000115.3C354 K359 H370 H374C354-C357 PolarHBondContact O-N 3.12Å; C354-C357 VanDerWaalsContact SG-SG 3.62Å; C357-K359 PolarHBondContact O-N 3.37Å; C357-H370 PolarHBondContact SG-NE2 2.92Å; C357-H374 PolarHBondContact SG-NE2 3.17Å
358G93.9Very high94.8Very high38 Ų3880.9 Ų80.939%0.39242%0.422SS..  trans68.11.3178.900000115.1C354 T360C354-G358 VanDerWaalsContact O-CA 3.26Å; C354-G358 WeakPolarHBondContact O-CA 3.26Å; C354-G358 PolarHBondContact O-N 3.29Å; G358-T360 PolarHBondContact O-N 3.09Å
359K95.5Very high94.9Very high125 Ų12580.5 Ų80.554%0.54341%0.408SS..  trans-68.5131.6-179.5-74-179.4-177.6172.60110.9C354 C357 F361C354-K359 WeakPolarHBondContact CB-O 3.41Å; C354-K359 PolarHBondContact N-O 3.16Å; C357-K359 PolarHBondContact O-N 3.37Å; K359-F361 HydrophobicContact CB-CE2 3.91Å; K359-F361 HydrophobicContact CB-CZ 4.03Å; K359-F361 WeakPolarHBondContact O-CD2 3.07Å; K359-F361 VanDerWaalsContact O-CE2 3.28Å; K359-F361 WeakPolarHBondContact O-CE2 3.42Å
360T96.1Very high94.9Very high62 Ų6275.9 Ų75.938%0.3839%0.386SS..EExtended strand (participates in β ladder)trans-101.5147.4-18062.10000112.3K350 Y352 E353 G358K350-T360 WeakPolarHBondContact CB-OG1 3.36Å; K350-T360 WeakPolarHBondContact CD-OG1 3.47Å; Y352-T360 CarbonylContact O-C 3.2Å; Y352-T360 WeakPolarHBondContact O-CA 3.45Å; E353-T360 HydrophobicContact CB-CG2 4.16Å; E353-T360 HydrophobicContact CG-CG2 4.09Å; G358-T360 PolarHBondContact O-N 3.09Å
361F95.1Very high94.9Very high41 Ų4172.9 Ų72.918%0.1838%0.376CS..EExtended strand (participates in β ladder)trans-133.8147.4-176.9-58.9-89.2000111.1K350 Y352 C354 K359 Q363 L367 H370K350-F361 CarbonylContact C-O 3.36Å; K350-F361 VanDerWaalsContact CA-O 3.29Å; K350-F361 WeakPolarHBondContact CA-O 3.49Å; Y352-F361 WeakPolarHBondContact CD2-O 3.49Å; Y352-F361 PolarHBondContact N-O 2.96Å; Y352-F361 VanDerWaalsContact N-O 3.14Å; Y352-F361 PolarHBondContact O-N 3.42Å; C354-F361 HydrophobicContact CB-CE2 4.3Å; K359-F361 HydrophobicContact CB-CE2 3.91Å; K359-F361 HydrophobicContact CB-CZ 4.03Å; K359-F361 WeakPolarHBondContact O-CD2 3.07Å; K359-F361 VanDerWaalsContact O-CE2 3.28Å; K359-F361 WeakPolarHBondContact O-CE2 3.42Å; F361-Q363 VanDerWaalsContact C-N 3.32Å; F361-L367 HydrophobicContact CB-CB 4.29Å; F361-L367 HydrophobicContact CD2-CB 3.88Å; F361-L367 HydrophobicContact CD2-CD1 3.71Å; F361-L367 HydrophobicContact CD2-CG 4.37Å; F361-L367 HydrophobicContact CE2-CD1 3.81Å; F361-L367 HydrophobicContact CG-CB 4.2Å; F361-H370 HydrophobicContact CE1-CB 3.9Å; F361-H370 HydrophobicContact CE2-CB 4.01Å; F361-H370 AromaticContact CE2-CD2 3.39Å; F361-H370 WeakPolarHBondContact CE2-CD2 3.39Å; F361-H370 AromaticContact CE2-CG 3.73Å; F361-H370 HydrophobicContact CZ-CB 3.46Å; F361-H370 VanDerWaalsContact CZ-CB 3.46Å; F361-H370 AromaticContact CZ-CD2 3.36Å; F361-H370 WeakPolarHBondContact CZ-CD2 3.23Å; F361-H370 AromaticContact CZ-CG 3.21Å; F361-H370 AromaticContact CZ-ND1 3.75Å; F361-H370 AromaticContact CZ-NE2 3.92Å
362S94.2Very high94.9Very high36 Ų3671.5 Ų71.525%0.25236%0.361SS..SBendtrans-78-16.9177.558.60000113.4R344R344-S362 WeakPolarHBondContact CD-O 3.43Å; R344-S362 PolarHBondContact NH1-O 3.12Å
363Q94.6Very high94.7Very high70 Ų7073.8 Ų73.833%0.32738%0.377SS..SBendtrans-134.1147.2179.8-58.3-179.32800112.5I341 F361 S365 T366 L367I341-Q363 HydrophobicContact CG2-CG 3.88Å; F361-Q363 VanDerWaalsContact C-N 3.32Å; Q363-S365 VanDerWaalsContact C-N 3.34Å; Q363-S365 PolarHBondContact O-N 3.24Å; Q363-S365 PolarHBondContact OE1-OG 3.37Å; Q363-T366 HydrophobicContact CB-CG2 4.45Å; Q363-T366 PolarHBondContact O-N 3Å; Q363-T366 PolarHBondContact O-OG1 3.48Å; Q363-L367 PolarHBondContact O-N 3.32Å
364R94.4Very high94.5Very high171 Ų17171.4 Ų71.465%0.64537%0.365SS*.Hα-helixtrans-67.5-33.7177.2-168.2176-170.1169.24.8112.8Y352 T366 L367 R368Y352-R364 HydrophobicContact CD1-CB 4.09Å; Y352-R364 HydrophobicContact CD1-CG 4.4Å; Y352-R364 HydrophobicContact CE1-CB 3.91Å; Y352-R364 HydrophobicContact CE1-CG 4.4Å; Y352-R364 HydrophobicContact CE2-CB 4.36Å; Y352-R364 HydrophobicContact CG-CB 4.4Å; R364-T366 VanDerWaalsContact C-N 3.35Å; R364-L367 PolarHBondContact O-N 3.38Å; R364-R368 PolarHBondContact O-N 3.2Å
365S93Very high94.3Very high70 Ų7075.6 Ų75.649%0.4939%0.391SS..Hα-helixtrans-62.7-41.7176.849.60000111.7Q363 R368 L369Q363-S365 VanDerWaalsContact C-N 3.34Å; Q363-S365 PolarHBondContact O-N 3.24Å; Q363-S365 PolarHBondContact OE1-OG 3.37Å; S365-R368 PolarHBondContact O-N 3.36Å; S365-L369 WeakPolarHBondContact O-CB 3.23Å; S365-L369 PolarHBondContact O-N 3.33Å
366T94.2Very high94.1Very high52 Ų5271.4 Ų71.432%0.31938%0.375SS..Hα-helixtrans-68.6-38.8176.947.80000111.8Q363 R364 L369 H370Q363-T366 HydrophobicContact CB-CG2 4.45Å; Q363-T366 PolarHBondContact O-N 3Å; Q363-T366 PolarHBondContact O-OG1 3.48Å; R364-T366 VanDerWaalsContact C-N 3.35Å; T366-L369 PolarHBondContact O-N 2.98Å; T366-H370 WeakPolarHBondContact O-CB 3.49Å; T366-H370 PolarHBondContact O-N 3.11Å
367L95.8Very high94.1Very high23 Ų2370.5 Ų70.512%0.1237%0.371CS..Hα-helixtrans-61.2-49.9171.7172.261.3000111.2E353 C354 F361 Q363 R364 L369 H370 L371E353-L367 WeakPolarHBondContact O-CD2 3.19Å; C354-L367 HydrophobicContact CB-CD1 3.7Å; F361-L367 HydrophobicContact CB-CB 4.29Å; F361-L367 HydrophobicContact CD2-CB 3.88Å; F361-L367 HydrophobicContact CD2-CD1 3.71Å; F361-L367 HydrophobicContact CD2-CG 4.37Å; F361-L367 HydrophobicContact CE2-CD1 3.81Å; F361-L367 HydrophobicContact CG-CB 4.2Å; Q363-L367 PolarHBondContact O-N 3.32Å; R364-L367 PolarHBondContact O-N 3.38Å; L367-L369 PolarHBondContact O-N 3.13Å; L367-H370 CarbonylContact O-C 3.46Å; L367-H370 WeakPolarHBondContact O-CA 3.46Å; L367-H370 WeakPolarHBondContact O-CB 3.5Å; L367-H370 PolarHBondContact O-N 3.38Å; L367-L371 HydrophobicContact CD1-CD2 4.37Å; L367-L371 HydrophobicContact CD1-CG 4.24Å; L367-L371 HydrophobicContact CG-CD1 4.5Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.21Å
368R94.2Very high93.9Very high157 Ų15773.9 Ų73.959%0.59238%0.379SS*.Hα-helixtrans-56.5-40.8178.5-179.3179.7-70.5152.6-3.8112.1R364 S365 H370 L371R364-R368 PolarHBondContact O-N 3.2Å; S365-R368 PolarHBondContact O-N 3.36Å; R368-H370 VanDerWaalsContact C-N 3.34Å; R368-L371 PolarHBondContact O-N 2.87Å
369L93.6Very high93.9Very high41 Ų4175 Ų7522%0.21538%0.379CS..Hα-helixtrans-69-35.1177.3178.456.8000112.5S365 T366 L367 R372 R391S365-L369 WeakPolarHBondContact O-CB 3.23Å; S365-L369 PolarHBondContact O-N 3.33Å; T366-L369 PolarHBondContact O-N 2.98Å; L367-L369 PolarHBondContact O-N 3.13Å; L369-R372 WeakPolarHBondContact O-CB 3.3Å; L369-R372 PolarHBondContact O-N 3.13Å; L369-R391 HydrophobicContact CD1-CG 3.51Å; L369-R391 HydrophobicContact CD2-CG 4.05Å; L369-R391 VanDerWaalsContact CD2-NE 3.27Å; L369-R391 HydrophobicContact CG-CG 4.28Å
370H94.6Very high93.8Very high17 Ų1772.6 Ų72.68%0.07937%0.367CS..Hα-helixtrans-66.4-39.5174.1166.768.6000112.3C357 F361 T366 L367 R368 R372 I373 H374C357-H370 PolarHBondContact SG-NE2 2.92Å; F361-H370 HydrophobicContact CE1-CB 3.9Å; F361-H370 HydrophobicContact CE2-CB 4.01Å; F361-H370 AromaticContact CE2-CD2 3.39Å; F361-H370 WeakPolarHBondContact CE2-CD2 3.39Å; F361-H370 AromaticContact CE2-CG 3.73Å; F361-H370 HydrophobicContact CZ-CB 3.46Å; F361-H370 VanDerWaalsContact CZ-CB 3.46Å; F361-H370 AromaticContact CZ-CD2 3.36Å; F361-H370 WeakPolarHBondContact CZ-CD2 3.23Å; F361-H370 AromaticContact CZ-CG 3.21Å; F361-H370 AromaticContact CZ-ND1 3.75Å; F361-H370 AromaticContact CZ-NE2 3.92Å; T366-H370 WeakPolarHBondContact O-CB 3.49Å; T366-H370 PolarHBondContact O-N 3.11Å; L367-H370 CarbonylContact O-C 3.46Å; L367-H370 WeakPolarHBondContact O-CA 3.46Å; L367-H370 WeakPolarHBondContact O-CB 3.5Å; L367-H370 PolarHBondContact O-N 3.38Å; R368-H370 VanDerWaalsContact C-N 3.34Å; H370-R372 PolarHBondContact O-N 2.68Å; H370-I373 VanDerWaalsContact O-CB 3.25Å; H370-I373 WeakPolarHBondContact O-CB 3.11Å; H370-I373 WeakPolarHBondContact O-CG1 3.34Å; H370-I373 PolarHBondContact O-N 3.2Å; H370-H374 AromaticContact CE1-NE2 3.61Å; H370-H374 AromaticContact NE2-CD2 3.93Å; H370-H374 AromaticContact NE2-NE2 3.35Å; H370-H374 PolarHBondContact NE2-NE2 3.41Å
371L94.5Very high93.8Very high55 Ų5575.9 Ų75.929%0.28838%0.378SS..Hα-helixtrans-56.3-26.7177-68.7174.9000113.2L367 R368 I373 H374 T375L367-L371 HydrophobicContact CD1-CD2 4.37Å; L367-L371 HydrophobicContact CD1-CG 4.24Å; L367-L371 HydrophobicContact CG-CD1 4.5Å; L367-L371 WeakPolarHBondContact O-CG 3.4Å; L367-L371 PolarHBondContact O-N 3.21Å; R368-L371 PolarHBondContact O-N 2.87Å; L371-I373 PolarHBondContact O-N 3.36Å; L371-H374 WeakPolarHBondContact O-CB 3.41Å; L371-H374 PolarHBondContact O-N 2.74Å; L371-T375 PolarHBondContact O-N 3.41Å; L371-T375 VanDerWaalsContact O-N 3.1Å; L371-T375 PolarHBondContact O-OG1 3.43Å
372R93.9Very high93.8Very high45 Ų4574 Ų7417%0.1737%0.37CS..Hα-helixtrans-63.6-20.1174-62.8-171175.6152.91.2114.5L369 H370 H374 T375 G376 E377 S390L369-R372 WeakPolarHBondContact O-CB 3.3Å; L369-R372 PolarHBondContact O-N 3.13Å; H370-R372 PolarHBondContact O-N 2.68Å; R372-H374 VanDerWaalsContact C-N 3.3Å; R372-T375 WeakPolarHBondContact CA-OG1 3.34Å; R372-G376 WeakPolarHBondContact O-CA 3.48Å; R372-G376 PolarHBondContact O-N 3.43Å; R372-E377 HydrophobicContact CB-CB 4.48Å; R372-E377 HydrophobicContact CG-CB 4.29Å; R372-E377 IonicContact NE-OE2 3.46Å; R372-E377 PolarHBondContact NE-OE2 2.82Å; R372-E377 PolarHBondContact O-N 3.38Å; R372-S390 PolarHBondContact NH1-O 3.41Å
373I92.5Very high93.7Very high120 Ų12077.6 Ų77.662%0.61540%0.395SS*.Hα-helixtrans-69.1-37.2174.6-60.3175.6000109.7H370 L371H370-I373 VanDerWaalsContact O-CB 3.25Å; H370-I373 WeakPolarHBondContact O-CB 3.11Å; H370-I373 WeakPolarHBondContact O-CG1 3.34Å; H370-I373 PolarHBondContact O-N 3.2Å; L371-I373 PolarHBondContact O-N 3.36Å
374H93.4Very high93.5Very high70 Ų7079.9 Ų79.932%0.32441%0.406SS..Hα-helixtrans-77.1-46179.4-66.7-71.3000112.3E356 C357 H370 L371 R372 G376E356-H374 WeakPolarHBondContact OE2-CB 3.46Å; E356-H374 IonicContact OE2-CD2 3.27Å; E356-H374 IonicContact OE2-CG 3.81Å; E356-H374 IonicContact OE2-ND1 2.82Å; E356-H374 PolarHBondContact OE2-ND1 2.74Å; C357-H374 PolarHBondContact SG-NE2 3.17Å; H370-H374 AromaticContact CE1-NE2 3.61Å; H370-H374 AromaticContact NE2-CD2 3.93Å; H370-H374 AromaticContact NE2-NE2 3.35Å; H370-H374 PolarHBondContact NE2-NE2 3.41Å; L371-H374 WeakPolarHBondContact O-CB 3.41Å; L371-H374 PolarHBondContact O-N 2.74Å; R372-H374 VanDerWaalsContact C-N 3.3Å; H374-G376 VanDerWaalsContact C-N 3.26Å; H374-G376 PolarHBondContact O-N 3.08Å
375T92.3Very high93.5Very high90 Ų9074.3 Ų74.355%0.55239%0.393SS*.Hα-helixtrans-76.7-14.2-179.763.60000113.4L371 R372 E377L371-T375 PolarHBondContact O-N 3.41Å; L371-T375 VanDerWaalsContact O-N 3.1Å; L371-T375 PolarHBondContact O-OG1 3.43Å; R372-T375 WeakPolarHBondContact CA-OG1 3.34Å; T375-E377 PolarHBondContact O-N 2.71Å; T375-E377 WeakPolarHBondContact OG1-CB 3.41Å; T375-E377 PolarHBondContact OG1-N 3.4Å
376G90.5Very high93.4Very high47 Ų4772.8 Ų72.849%0.48539%0.389SS..  trans68.56.9-172.600000114.4R372 H374 K378R372-G376 WeakPolarHBondContact O-CA 3.48Å; R372-G376 PolarHBondContact O-N 3.43Å; H374-G376 VanDerWaalsContact C-N 3.26Å; H374-G376 PolarHBondContact O-N 3.08Å; G376-K378 PolarHBondContact O-N 3.15Å
377E93.3Very high93.4Very high96 Ų9676.4 Ų76.445%0.44940%0.4SS..  trans-61121.8-175.8-167.5-158.1178.500111.2R372 T375 P379R372-E377 HydrophobicContact CB-CB 4.48Å; R372-E377 HydrophobicContact CG-CB 4.29Å; R372-E377 IonicContact NE-OE2 3.46Å; R372-E377 PolarHBondContact NE-OE2 2.82Å; R372-E377 PolarHBondContact O-N 3.38Å; T375-E377 PolarHBondContact O-N 2.71Å; T375-E377 WeakPolarHBondContact OG1-CB 3.41Å; T375-E377 PolarHBondContact OG1-N 3.4Å; E377-P379 HydrophobicContact CG-CG 3.85Å; E377-P379 WeakPolarHBondContact OE1-CG 3.49Å
378K92.9Very high93.3Very high125 Ų12577 Ų7754%0.54341%0.408SS..  trans-12678.2177.8-69.8170.5176.5-177.30110.8G376 Y380 A388 F389G376-K378 PolarHBondContact O-N 3.15Å; K378-Y380 PolarHBondContact O-N 3.44Å; K378-Y380 VanDerWaalsContact O-N 3.1Å; K378-A388 HydrophobicContact CB-CB 3.7Å; K378-A388 HydrophobicContact CD-CB 4.26Å; K378-A388 WeakPolarHBondContact CD-O 3.4Å; K378-F389 CarbonylContact C-O 3.56Å; K378-F389 WeakPolarHBondContact CA-O 3.45Å
379P93.3Very high93.2Very high61 Ų6171.8 Ų71.840%0.39639%0.39SS..  trans-69.5-10.4-171.8-20.733.9000115.2E377E377-P379 HydrophobicContact CG-CG 3.85Å; E377-P379 WeakPolarHBondContact OE1-CG 3.49Å
380Y94.4Very high93.1Very high75 Ų7571.8 Ų71.829%0.29439%0.393SS..EExtended strand (participates in β ladder)trans-111.596.7-170.5-55.3-72.1000109.9K378 A388 F389 R391 K392K378-Y380 PolarHBondContact O-N 3.44Å; K378-Y380 VanDerWaalsContact O-N 3.1Å; Y380-A388 CarbonylContact O-C 3.59Å; Y380-A388 WeakPolarHBondContact O-CA 3.49Å; Y380-F389 WeakPolarHBondContact CD2-O 3.21Å; Y380-F389 PolarHBondContact N-O 3.44Å; Y380-F389 PolarHBondContact O-N 3.34Å; Y380-R391 VanDerWaalsContact CD2-C 3.42Å; Y380-K392 HydrophobicContact CD1-CB 3.98Å; Y380-K392 HydrophobicContact CD1-CG 4.4Å; Y380-K392 HydrophobicContact CD2-CB 4.45Å; Y380-K392 VanDerWaalsContact CD2-N 3.3Å; Y380-K392 HydrophobicContact CE1-CB 3.83Å; Y380-K392 HydrophobicContact CE1-CG 4.42Å; Y380-K392 HydrophobicContact CE2-CB 4.29Å; Y380-K392 HydrophobicContact CG-CB 4.29Å
381E94.9Very high93Very high131 Ų13176.2 Ų76.261%0.61241%0.409SS*.EExtended strand (participates in β ladder)trans-94.1140.2179-166.6174.6168.700111.7
382C94.5Very high92.9Very high1 Ų180.2 Ų80.21%0.00742%0.424CS..  trans-79.8118.9170.7-179.40000109.8E384 C385 G386 K387 L395 H402C382-E384 PolarHBondContact O-N 3.34Å; C382-C385 PolarHBondContact O-N 3.25Å; C382-G386 VanDerWaalsContact O-CA 3.29Å; C382-G386 WeakPolarHBondContact O-CA 3.43Å; C382-G386 PolarHBondContact O-N 3Å; C382-K387 WeakPolarHBondContact CB-O 3.48Å; C382-K387 PolarHBondContact N-O 3.05Å; C382-L395 HydrophobicContact CB-CD1 3.66Å; C382-H402 PolarHBondContact SG-NE2 3.38Å; C382-H402 VanDerWaalsContact SG-NE2 3.4Å
383S92.4Very high92.8Very high112 Ų11281.7 Ų81.778%0.78344%0.442SS*.THydrogen-bonded Turntrans-62.5-24178.650.60000114
384E90.9Very high92.9Very high119 Ų11983.5 Ų83.556%0.55644%0.441SS*.THydrogen-bonded Turntrans-88.4-30.4-175.7-67.3169.9162.100113C382 H402C382-E384 PolarHBondContact O-N 3.34Å; E384-H402 WeakPolarHBondContact OE2-CB 3.38Å; E384-H402 IonicContact OE2-CD2 2.87Å; E384-H402 PolarHBondContact OE2-CD2 3.47Å; E384-H402 IonicContact OE2-CG 3.01Å; E384-H402 IonicContact OE2-NE2 3.8Å
385C94Very high92.9Very high53 Ų5380.9 Ų80.936%0.35843%0.429SS..THydrogen-bonded Turntrans-134.13.6-17476.20000115C382 K387 H398C382-C385 PolarHBondContact O-N 3.25Å; C385-K387 PolarHBondContact O-N 3.12Å; C385-K387 VanDerWaalsContact O-N 3.08Å; C385-H398 PolarHBondContact SG-NE2 3.39Å
386G91.4Very high92.9Very high39 Ų3979 Ų7940%0.40242%0.42SS..  trans68.42.118000000115C382 A388C382-G386 VanDerWaalsContact O-CA 3.29Å; C382-G386 WeakPolarHBondContact O-CA 3.43Å; C382-G386 PolarHBondContact O-N 3Å; G386-A388 PolarHBondContact O-N 2.98Å
387K93.3Very high93Very high127 Ų12780.2 Ų80.255%0.55242%0.418SS*.  trans-69.3122.7179.5-74.4-179.2-178.81740110.5C382 C385 F389C382-K387 WeakPolarHBondContact CB-O 3.48Å; C382-K387 PolarHBondContact N-O 3.05Å; C385-K387 PolarHBondContact O-N 3.12Å; C385-K387 VanDerWaalsContact O-N 3.08Å; K387-F389 HydrophobicContact CB-CE2 3.85Å; K387-F389 HydrophobicContact CB-CZ 4.01Å; K387-F389 WeakPolarHBondContact O-CD2 3.32Å; K387-F389 VanDerWaalsContact O-CE2 3.23Å; K387-F389 WeakPolarHBondContact O-CE2 3.49Å
388A94.1Very high92.9Very high37 Ų3777 Ų7731%0.30640%0.402SS..EExtended strand (participates in β ladder)trans-96.2142178.300000112.8K378 Y380 G386K378-A388 HydrophobicContact CB-CB 3.7Å; K378-A388 HydrophobicContact CD-CB 4.26Å; K378-A388 WeakPolarHBondContact CD-O 3.4Å; Y380-A388 CarbonylContact O-C 3.59Å; Y380-A388 WeakPolarHBondContact O-CA 3.49Å; G386-A388 PolarHBondContact O-N 2.98Å
389F92.4Very high92.8Very high47 Ų4774.3 Ų74.321%0.20639%0.392CS..EExtended strand (participates in β ladder)trans-129.1149.2-177.4-58.9-89.9000111.2K378 Y380 K387 R391 R394 L395 H398K378-F389 CarbonylContact C-O 3.56Å; K378-F389 WeakPolarHBondContact CA-O 3.45Å; Y380-F389 WeakPolarHBondContact CD2-O 3.21Å; Y380-F389 PolarHBondContact N-O 3.44Å; Y380-F389 PolarHBondContact O-N 3.34Å; K387-F389 HydrophobicContact CB-CE2 3.85Å; K387-F389 HydrophobicContact CB-CZ 4.01Å; K387-F389 WeakPolarHBondContact O-CD2 3.32Å; K387-F389 VanDerWaalsContact O-CE2 3.23Å; K387-F389 WeakPolarHBondContact O-CE2 3.49Å; F389-R391 VanDerWaalsContact C-N 3.32Å; F389-R394 HydrophobicContact CB-CB 4.26Å; F389-R394 HydrophobicContact CD1-CB 3.94Å; F389-R394 HydrophobicContact CG-CB 4.33Å; F389-L395 HydrophobicContact CB-CB 4.43Å; F389-L395 HydrophobicContact CD2-CB 3.94Å; F389-L395 HydrophobicContact CD2-CD1 3.89Å; F389-L395 HydrophobicContact CE2-CD1 4.01Å; F389-L395 HydrophobicContact CG-CB 4.38Å; F389-H398 HydrophobicContact CE1-CB 4.12Å; F389-H398 HydrophobicContact CE2-CB 3.87Å; F389-H398 AromaticContact CE2-CD2 3.48Å; F389-H398 VanDerWaalsContact CE2-CD2 3.48Å; F389-H398 WeakPolarHBondContact CE2-CD2 3.41Å; F389-H398 AromaticContact CE2-CG 3.7Å; F389-H398 HydrophobicContact CZ-CB 3.48Å; F389-H398 VanDerWaalsContact CZ-CB 3.48Å; F389-H398 AromaticContact CZ-CD2 3.55Å; F389-H398 AromaticContact CZ-CG 3.31Å; F389-H398 AromaticContact CZ-ND1 3.89Å
390S91.4Very high92.7Very high40 Ų4076.5 Ų76.528%0.2839%0.392SS..SBendtrans-80.4-12.5176.860.10000113.7R372R372-S390 PolarHBondContact NH1-O 3.41Å
391R92.3Very high92.4Very high110 Ų11078.1 Ų78.142%0.41541%0.41SS..SBendtrans-133.6133.7-178.6-65.5178.8-170.1-159-3.8111L369 Y380 F389 S393 R394 L395L369-R391 HydrophobicContact CD1-CG 3.51Å; L369-R391 HydrophobicContact CD2-CG 4.05Å; L369-R391 VanDerWaalsContact CD2-NE 3.27Å; L369-R391 HydrophobicContact CG-CG 4.28Å; Y380-R391 VanDerWaalsContact CD2-C 3.42Å; F389-R391 VanDerWaalsContact C-N 3.32Å; R391-S393 VanDerWaalsContact C-N 3.29Å; R391-S393 PolarHBondContact O-N 3.47Å; R391-R394 HydrophobicContact CB-CB 4.3Å; R391-R394 HydrophobicContact CB-CG 4.03Å; R391-R394 WeakPolarHBondContact O-CB 3.38Å; R391-R394 PolarHBondContact O-N 3.43Å; R391-R394 VanDerWaalsContact O-N 3.08Å; R391-L395 PolarHBondContact O-N 3.08Å
392K92.6Very high92Very high139 Ų13975.6 Ų75.660%0.60440%0.398SS*.Hα-helixtrans-57.3-40.3174.4-173.3175.5-179.8177.10112.5Y380 R394 L395 S396Y380-K392 HydrophobicContact CD1-CB 3.98Å; Y380-K392 HydrophobicContact CD1-CG 4.4Å; Y380-K392 HydrophobicContact CD2-CB 4.45Å; Y380-K392 VanDerWaalsContact CD2-N 3.3Å; Y380-K392 HydrophobicContact CE1-CB 3.83Å; Y380-K392 HydrophobicContact CE1-CG 4.42Å; Y380-K392 HydrophobicContact CE2-CB 4.29Å; Y380-K392 HydrophobicContact CG-CB 4.29Å; K392-R394 VanDerWaalsContact C-N 3.26Å; K392-R394 PolarHBondContact O-N 3.46Å; K392-L395 WeakPolarHBondContact O-CB 3.45Å; K392-L395 PolarHBondContact O-N 3.42Å; K392-L395 VanDerWaalsContact O-N 3.12Å; K392-S396 PolarHBondContact O-N 3.29Å; K392-S396 PolarHBondContact O-OG 3.05Å
393S92.6Very high91.4Very high77 Ų7780.3 Ų80.354%0.53843%0.426SS..Hα-helixtrans-61.9-33.4178.255.10000113R391 S396 V397R391-S393 VanDerWaalsContact C-N 3.29Å; R391-S393 PolarHBondContact O-N 3.47Å; S393-S396 PolarHBondContact O-N 3.44Å; S393-V397 WeakPolarHBondContact O-CG2 3.5Å; S393-V397 PolarHBondContact O-N 3.33Å
394R93.2Very high90.4Very high157 Ų15777.8 Ų77.859%0.59242%0.418SS*.Hα-helixtrans-70.1-40.2174.5-69-67.3-169.9172.60.4111.3F389 R391 K392 V397 H398F389-R394 HydrophobicContact CB-CB 4.26Å; F389-R394 HydrophobicContact CD1-CB 3.94Å; F389-R394 HydrophobicContact CG-CB 4.33Å; R391-R394 HydrophobicContact CB-CB 4.3Å; R391-R394 HydrophobicContact CB-CG 4.03Å; R391-R394 WeakPolarHBondContact O-CB 3.38Å; R391-R394 PolarHBondContact O-N 3.43Å; R391-R394 VanDerWaalsContact O-N 3.08Å; K392-R394 VanDerWaalsContact C-N 3.26Å; K392-R394 PolarHBondContact O-N 3.46Å; R394-V397 PolarHBondContact O-N 3.47Å; R394-H398 WeakPolarHBondContact O-CB 3.42Å; R394-H398 PolarHBondContact O-N 3.46Å
395L93.7Very high88.9Confident16 Ų1677.1 Ų77.18%0.08442%0.418CS..Hα-helixtrans-59.9-48.4170.9173.562.9000111.2C382 F389 R391 K392 V397 H398 Q399C382-L395 HydrophobicContact CB-CD1 3.66Å; F389-L395 HydrophobicContact CB-CB 4.43Å; F389-L395 HydrophobicContact CD2-CB 3.94Å; F389-L395 HydrophobicContact CD2-CD1 3.89Å; F389-L395 HydrophobicContact CE2-CD1 4.01Å; F389-L395 HydrophobicContact CG-CB 4.38Å; R391-L395 PolarHBondContact O-N 3.08Å; K392-L395 WeakPolarHBondContact O-CB 3.45Å; K392-L395 PolarHBondContact O-N 3.42Å; K392-L395 VanDerWaalsContact O-N 3.12Å; L395-V397 VanDerWaalsContact C-N 3.32Å; L395-V397 PolarHBondContact O-N 3.25Å; L395-H398 CarbonylContact O-C 3.5Å; L395-H398 WeakPolarHBondContact O-CA 3.47Å; L395-H398 WeakPolarHBondContact O-CB 3.29Å; L395-H398 PolarHBondContact O-N 2.73Å; L395-Q399 HydrophobicContact CD1-CG 3.99Å; L395-Q399 HydrophobicContact CG-CG 4.31Å; L395-Q399 WeakPolarHBondContact O-CG 3.47Å; L395-Q399 PolarHBondContact O-N 3.42Å
396S92.5Very high87Confident51 Ų5184 Ų8436%0.35744%0.442SS..Hα-helixtrans-61.5-37.8179.2-58.80000113K392 S393K392-S396 PolarHBondContact O-N 3.29Å; K392-S396 PolarHBondContact O-OG 3.05Å; S393-S396 PolarHBondContact O-N 3.44Å
397V92.3Very high85.3Confident72 Ų7290.3 Ų90.344%0.43648%0.476SS..Hα-helixtrans-66-41.5172.3174.10000110.7S393 R394 L395 R400S393-V397 WeakPolarHBondContact O-CG2 3.5Å; S393-V397 PolarHBondContact O-N 3.33Å; R394-V397 PolarHBondContact O-N 3.47Å; L395-V397 VanDerWaalsContact C-N 3.32Å; L395-V397 PolarHBondContact O-N 3.25Å; V397-R400 PolarHBondContact O-N 3.45Å
398H92.1Very high84.9Confident27 Ų2788.5 Ų88.513%0.12547%0.472CS..Hα-helixtrans-64.8-40.5178.1173.363.2000112.7C385 F389 R394 L395 R400 V401 H402C385-H398 PolarHBondContact SG-NE2 3.39Å; F389-H398 HydrophobicContact CE1-CB 4.12Å; F389-H398 HydrophobicContact CE2-CB 3.87Å; F389-H398 AromaticContact CE2-CD2 3.48Å; F389-H398 VanDerWaalsContact CE2-CD2 3.48Å; F389-H398 WeakPolarHBondContact CE2-CD2 3.41Å; F389-H398 AromaticContact CE2-CG 3.7Å; F389-H398 HydrophobicContact CZ-CB 3.48Å; F389-H398 VanDerWaalsContact CZ-CB 3.48Å; F389-H398 AromaticContact CZ-CD2 3.55Å; F389-H398 AromaticContact CZ-CG 3.31Å; F389-H398 AromaticContact CZ-ND1 3.89Å; R394-H398 WeakPolarHBondContact O-CB 3.42Å; R394-H398 PolarHBondContact O-N 3.46Å; L395-H398 CarbonylContact O-C 3.5Å; L395-H398 WeakPolarHBondContact O-CA 3.47Å; L395-H398 WeakPolarHBondContact O-CB 3.29Å; L395-H398 PolarHBondContact O-N 2.73Å; H398-R400 PolarHBondContact O-N 2.84Å; H398-V401 WeakPolarHBondContact O-CB 3.38Å; H398-V401 WeakPolarHBondContact O-CG2 3.36Å; H398-V401 PolarHBondContact O-N 3.44Å; H398-H402 AromaticContact CD2-NE2 3.9Å; H398-H402 AromaticContact CE1-NE2 3.65Å; H398-H402 AromaticContact NE2-CD2 3.99Å; H398-H402 AromaticContact NE2-CE1 3.94Å; H398-H402 AromaticContact NE2-NE2 3.14Å; H398-H402 PolarHBondContact NE2-NE2 2.86Å; H398-H402 VanDerWaalsContact NE2-NE2 3.14Å
399Q90.6Very high84.4Confident69 Ų6991.2 Ų91.232%0.32248%0.481SS..Hα-helixtrans-59.5-31.2178.6-74.9173.8-5100112.6L395 V401 H402 V403L395-Q399 HydrophobicContact CD1-CG 3.99Å; L395-Q399 HydrophobicContact CG-CG 4.31Å; L395-Q399 WeakPolarHBondContact O-CG 3.47Å; L395-Q399 PolarHBondContact O-N 3.42Å; Q399-V401 PolarHBondContact O-N 3.23Å; Q399-H402 PolarHBondContact O-N 3.28Å; Q399-V403 PolarHBondContact O-N 2.66Å
400R90.6Very high83.9Confident108 Ų10893.6 Ų93.641%0.40850%0.496SS..Hα-helixtrans-61.3-25.6174.2-70.8-170.4-80.8162.7-6.7113.6V397 H398 H402 V403 G404 D405V397-R400 PolarHBondContact O-N 3.45Å; H398-R400 PolarHBondContact O-N 2.84Å; R400-H402 VanDerWaalsContact C-N 3.26Å; R400-H402 PolarHBondContact O-N 3.18Å; R400-V403 PolarHBondContact O-N 2.99Å; R400-G404 PolarHBondContact O-N 3.34Å; R400-D405 HydrophobicContact CB-CB 4.48Å; R400-D405 PolarHBondContact O-N 3.42Å
401V88.4Confident83.5Confident109 Ų10996.8 Ų96.866%0.66151%0.509SS*.Hα-helixtrans-66-31.6175.9-176.60000111.4H398 Q399H398-V401 WeakPolarHBondContact O-CB 3.38Å; H398-V401 WeakPolarHBondContact O-CG2 3.36Å; H398-V401 PolarHBondContact O-N 3.44Å; Q399-V401 PolarHBondContact O-N 3.23Å
402H86.8Confident82.9Confident78 Ų7895.9 Ų95.936%0.36151%0.514SS..Hα-helixtrans-81.3-30.4179.5-60.5-58.5000112.7C382 E384 H398 Q399 R400 G404C382-H402 PolarHBondContact SG-NE2 3.38Å; C382-H402 VanDerWaalsContact SG-NE2 3.4Å; E384-H402 WeakPolarHBondContact OE2-CB 3.38Å; E384-H402 IonicContact OE2-CD2 2.87Å; E384-H402 PolarHBondContact OE2-CD2 3.47Å; E384-H402 IonicContact OE2-CG 3.01Å; E384-H402 IonicContact OE2-NE2 3.8Å; H398-H402 AromaticContact CD2-NE2 3.9Å; H398-H402 AromaticContact CE1-NE2 3.65Å; H398-H402 AromaticContact NE2-CD2 3.99Å; H398-H402 AromaticContact NE2-CE1 3.94Å; H398-H402 AromaticContact NE2-NE2 3.14Å; H398-H402 PolarHBondContact NE2-NE2 2.86Å; H398-H402 VanDerWaalsContact NE2-NE2 3.14Å; Q399-H402 PolarHBondContact O-N 3.28Å; R400-H402 VanDerWaalsContact C-N 3.26Å; R400-H402 PolarHBondContact O-N 3.18Å; H402-G404 VanDerWaalsContact C-N 3.26Å; H402-G404 PolarHBondContact O-N 3.31Å
403V82.6Confident82.3Confident99 Ų9993.1 Ų93.160%0.651%0.508SS*.Hα-helixtrans-82.1-6.6178.7-170.40000111.9Q399 R400 D405Q399-V403 PolarHBondContact O-N 2.66Å; R400-V403 PolarHBondContact O-N 2.99Å; V403-D405 PolarHBondContact O-N 3.38Å
404G71.2Confident81.6Confident59 Ų5994.2 Ų94.261%0.60851%0.506SS*.THydrogen-bonded Turntrans73.81.7-178.200000114.3R400 H402 K406R400-G404 PolarHBondContact O-N 3.34Å; H402-G404 VanDerWaalsContact C-N 3.26Å; H402-G404 PolarHBondContact O-N 3.31Å; G404-K406 VanDerWaalsContact C-N 3.29Å; G404-K406 PolarHBondContact O-N 3.2Å
405D59.7Low80.7Confident106 Ų10689.4 Ų89.457%0.56750%0.5SS*.  trans-71.583.2171.4-84.8-15.6000109.4R400 V403R400-D405 HydrophobicContact CB-CB 4.48Å; R400-D405 PolarHBondContact O-N 3.42Å; V403-D405 PolarHBondContact O-N 3.38Å
406K52.5Low79.6Confident197 Ų19795.5 Ų95.586%0.85753%0.534SS*.  trans-66.8137.6165.2-85.4-178.4179174.80109.2G404G404-K406 VanDerWaalsContact C-N 3.29Å; G404-K406 PolarHBondContact O-N 3.2Å
407P55.8Low78.4Confident171 Ų17199.5 Ų99.5100%1.1155%0.55SS**  trans-63.30178.328.5-35000113.1

Retrieved 407 of 407 residues in 89 ms (Link to these results)