A0A077ZGZ2_TRITR Loading...

MgsA C and AAA domain containing protein

Functions as a modulator for initiation or reinitiation events during DNA polymerase delta-mediated DNA synthesis. Has an intrinsic ATPase activity that functions as a sensor of DNA damage or of arrested replication forks and regulates the extent of DNA synthesis.

AlphaFold DB , UniProt , Accession A0A077ZGZ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 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
1M33.1Very low35.7Very low241 Ų241151.1 Ų151.1100%1.18773%0.73SS**  0105.80-80.9175.2-179.900108.5Q3M1-Q3 PolarHBondContact O-N 3.06Å
2R35.7Very low36.8Very low258 Ų258150.1 Ų150.197%0.97472%0.723SS**  trans-74.6117.7165.6-81.5-178.4173.1176.6-2106.7G4R2-G4 PolarHBondContact O-N 3.24Å
3Q32.3Very low38.1Very low192 Ų192153.5 Ų153.590%0.89773%0.733SS**  trans-63.7113.6172.1-77178.7-17.600108M1 S5M1-Q3 PolarHBondContact O-N 3.06Å; Q3-S5 PolarHBondContact O-N 3.33Å
4G33.7Very low40.5Very low59 Ų59149.3 Ų149.361%0.60873%0.727SS**  trans-60.6125.6174.200000110R2 E8R2-G4 PolarHBondContact O-N 3.24Å; G4-E8 WeakPolarHBondContact CA-OE2 3.26Å
5S35.8Very low43.6Very low63 Ų63144.7 Ų144.744%0.44170%0.704SS.*  trans-70.2139.7-178.1172.40000109.9Q3 F7 E8Q3-S5 PolarHBondContact O-N 3.33Å; S5-F7 PolarHBondContact O-N 2.8Å; S5-F7 PolarHBondContact OG-N 3.31Å; S5-E8 PolarHBondContact N-OE2 3.25Å; S5-E8 PolarHBondContact O-N 3.33Å
6I37Very low46.5Very low153 Ų153139.5 Ų139.579%0.78569%0.685SS**THydrogen-bonded Turntrans-53-21174.5-68.9168.2000112
7F36.4Very low49.2Very low158 Ų158131.3 Ų131.369%0.69365%0.645SS**THydrogen-bonded Turntrans-76.9-18.2175-69.6-85.8000115.2S5 S10 R11S5-F7 PolarHBondContact O-N 2.8Å; S5-F7 PolarHBondContact OG-N 3.31Å; F7-S10 PolarHBondContact O-OG 3.46Å; F7-S10 VanDerWaalsContact O-OG 3.07Å; F7-R11 PolarHBondContact O-N 2.74Å
8E37.7Very low51.5Low121 Ų121125.2 Ų125.257%0.56562%0.619SS**Hα-helixtrans-70.7-39175-76.6175.4151.300111G4 S5 S10 R11 E12G4-E8 WeakPolarHBondContact CA-OE2 3.26Å; S5-E8 PolarHBondContact N-OE2 3.25Å; S5-E8 PolarHBondContact O-N 3.33Å; E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 2.79Å; E8-R11 PolarHBondContact O-N 3.02Å; E8-E12 PolarHBondContact O-N 3.21Å
9K34Very low53.6Low169 Ų169121.5 Ų121.574%0.73560%0.604SS**Hα-helixtrans-70.4-23.1178.6-75.1-173.4176.4-178.70114.2
10S36Very low55.6Low65 Ų65118.1 Ų118.146%0.45558%0.584SS.*Hα-helixtrans-81.9-29.6174.858.80000112.4F7 E8 K13F7-S10 PolarHBondContact O-OG 3.46Å; F7-S10 VanDerWaalsContact O-OG 3.07Å; E8-S10 VanDerWaalsContact C-N 3.32Å; E8-S10 PolarHBondContact O-N 2.79Å; S10-K13 PolarHBondContact O-N 2.92Å
11R41.5Very low57.4Low183 Ų183113.6 Ų113.669%0.69156%0.563SS**Hα-helixtrans-63.8-41.2175.2-83.6-177.2161.8-176-5.1112.7F7 E8 K13 S14 E15F7-R11 PolarHBondContact O-N 2.74Å; E8-R11 PolarHBondContact O-N 3.02Å; R11-K13 PolarHBondContact O-N 3.2Å; R11-K13 VanDerWaalsContact O-N 3.1Å; R11-S14 PolarHBondContact O-N 2.69Å; R11-S14 PolarHBondContact O-OG 2.81Å; R11-E15 PolarHBondContact O-N 3.22Å
12E48.2Very low60.3Low139 Ų139105.6 Ų105.665%0.6552%0.52SS*.THydrogen-bonded Turntrans-57.8-26.9179.2-72-178.8167.600113.5E8E8-E12 PolarHBondContact O-N 3.21Å
13K54.1Low63Low195 Ų19595 Ų9585%0.84848%0.484SS*.THydrogen-bonded Turntrans-82.3-13.7179.9-75.7-171.2177.6-177.20114.6S10 R11S10-K13 PolarHBondContact O-N 2.92Å; R11-K13 PolarHBondContact O-N 3.2Å; R11-K13 VanDerWaalsContact O-N 3.1Å
14S72.1Confident65.8Low94 Ų9491.1 Ų91.166%0.65747%0.466SS*.THydrogen-bonded Turntrans-113.61.2-176.160.90000114R11R11-S14 PolarHBondContact O-N 2.69Å; R11-S14 PolarHBondContact O-OG 2.81Å
15E85.8Confident68.6Low80 Ų8090.8 Ų90.837%0.37445%0.452SS..  trans-71.8130.8179.6-75.5-175.5-176.300111.2R11 R20R11-E15 PolarHBondContact O-N 3.22Å; E15-R20 HydrophobicContact CB-CG 3.76Å; E15-R20 WeakPolarHBondContact O-CD 3.48Å; E15-R20 PolarHBondContact O-NE 3.43Å
16P90.4Very high71.3Confident62 Ų6288.6 Ų88.640%0.40344%0.435SS..  trans-56.8149.9175.7-23.532.5000111.8A18 T19 R20P16-A18 PolarHBondContact O-N 2.97Å; P16-T19 WeakPolarHBondContact O-CB 3.46Å; P16-T19 PolarHBondContact O-N 2.82Å; P16-R20 PolarHBondContact O-N 3.4Å
17L92.4Very high73.9Confident0 Ų087 Ų870%043%0.428CS..Hα-helixtrans-50.6-45.8179.8-176.268.9000111.2T19 R20 V21 A178 G184 F185 L212 L215 E216L17-T19 PolarHBondContact O-N 2.72Å; L17-R20 PolarHBondContact O-N 2.96Å; L17-V21 HydrophobicContact CD1-CG1 3.74Å; L17-V21 HydrophobicContact CG-CG1 4.33Å; L17-V21 HydrophobicContact CG-CG2 4.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.31Å; L17-V21 PolarHBondContact O-N 3.48Å; L17-A178 HydrophobicContact CD2-CB 4.48Å; L17-G184 WeakPolarHBondContact CD1-O 3.03Å; L17-F185 HydrophobicContact CD1-CE1 4.41Å; L17-F185 HydrophobicContact CD1-CE2 4.08Å; L17-F185 HydrophobicContact CD1-CZ 4Å; L17-F185 HydrophobicContact CD2-CE2 3.97Å; L17-F185 HydrophobicContact CD2-CZ 3.65Å; L17-F185 HydrophobicContact CG-CZ 4.44Å; L17-L212 HydrophobicContact CD2-CB 4.28Å; L17-L212 HydrophobicContact CD2-CD2 3.96Å; L17-L212 WeakPolarHBondContact CD2-O 3.4Å; L17-L212 HydrophobicContact CG-CD2 4.37Å; L17-L215 HydrophobicContact CD2-CB 4.47Å; L17-L215 HydrophobicContact CD2-CD2 4.05Å; L17-L215 HydrophobicContact CD2-CG 4.33Å; L17-E216 HydrophobicContact CB-CB 3.85Å; L17-E216 VanDerWaalsContact CB-CD 3.48Å; L17-E216 HydrophobicContact CB-CG 4.11Å; L17-E216 WeakPolarHBondContact CB-OE1 3.42Å; L17-E216 HydrophobicContact CD2-CB 4.13Å; L17-E216 PolarHBondContact N-OE1 3.25Å; L17-E216 PolarHBondContact N-OE2 3.04Å
18A91.4Very high76.6Confident21 Ų2183 Ų8317%0.17442%0.415CS..Hα-helixtrans-56.3-23.8178.800000114.9P16 R209 L212P16-A18 PolarHBondContact O-N 2.97Å; A18-R209 HydrophobicContact CB-CG 4.4Å; A18-L212 HydrophobicContact CB-CB 4.14Å; A18-L212 HydrophobicContact CB-CD1 4.03Å
19T91.5Very high79.2Confident56 Ų5678.4 Ų78.434%0.34439%0.393SS..Hα-helixtrans-87.6-43.1173.2-58.30000111.2P16 L17 R22P16-T19 WeakPolarHBondContact O-CB 3.46Å; P16-T19 PolarHBondContact O-N 2.82Å; L17-T19 PolarHBondContact O-N 2.72Å; T19-R22 WeakPolarHBondContact O-CB 3.41Å; T19-R22 PolarHBondContact O-N 2.98Å
20R92.6Very high82.1Confident52 Ų5270.9 Ų70.920%0.19636%0.361CS..Hα-helixtrans-65.4-39.6-177.2-65.7-172.6-72.4128.9-1.9113.3E15 P16 L17 R22 K183 G184 E216E15-R20 HydrophobicContact CB-CG 3.76Å; E15-R20 WeakPolarHBondContact O-CD 3.48Å; E15-R20 PolarHBondContact O-NE 3.43Å; P16-R20 PolarHBondContact O-N 3.4Å; L17-R20 PolarHBondContact O-N 2.96Å; R20-R22 VanDerWaalsContact C-N 3.33Å; R20-K183 PolarHBondContact NH1-O 2.84Å; R20-K183 WeakPolarHBondContact O-CB 3.43Å; R20-K183 WeakPolarHBondContact O-CD 3.48Å; R20-G184 PolarHBondContact NH1-O 2.84Å; R20-G184 PolarHBondContact NH2-O 3.43Å; R20-E216 IonicContact CZ-OE1 3.68Å; R20-E216 IonicContact NH2-OE1 2.79Å; R20-E216 PolarHBondContact NH2-OE1 3.17Å
21V93.3Very high84.8Confident25 Ų2568.1 Ų68.115%0.15234%0.343CS..THydrogen-bonded Turntrans-93.616.1180-55.10000113.4L17 P23 A178 L212L17-V21 HydrophobicContact CD1-CG1 3.74Å; L17-V21 HydrophobicContact CG-CG1 4.33Å; L17-V21 HydrophobicContact CG-CG2 4.29Å; L17-V21 WeakPolarHBondContact O-CG2 3.31Å; L17-V21 PolarHBondContact O-N 3.48Å; V21-P23 WeakPolarHBondContact O-CD 3.42Å; V21-A178 HydrophobicContact CB-CB 4.41Å; V21-A178 HydrophobicContact CG1-CB 4.18Å; V21-A178 HydrophobicContact CG2-CB 4.01Å; V21-L212 HydrophobicContact CG2-CD1 3.82Å; V21-L212 HydrophobicContact CG2-CD2 3.94Å
22R93.6Very high87.3Confident72 Ų7259.8 Ų59.827%0.27231%0.312SS..  trans-59.1126.2179.8-177175.5-68.5153.45.1110.2T19 R20 T66 R69T19-R22 WeakPolarHBondContact O-CB 3.41Å; T19-R22 PolarHBondContact O-N 2.98Å; R20-R22 VanDerWaalsContact C-N 3.33Å; R22-T66 HydrophobicContact CG-CG2 3.72Å; R22-R69 VanDerWaalsContact NH1-NE 3.16Å
23P93.5Very high89.4Confident35 Ų3558 Ų5823%0.22731%0.311CS..  trans-53.8137.8174.4-29.535.1000112.8V21 D28 T66 I70V21-P23 WeakPolarHBondContact O-CD 3.42Å; P23-D28 HydrophobicContact CB-CB 3.9Å; P23-D28 WeakPolarHBondContact CG-O 3.16Å; P23-T66 HydrophobicContact CB-CG2 4.11Å; P23-T66 HydrophobicContact CG-CG2 4.15Å; P23-I70 HydrophobicContact CB-CD1 4.14Å
24E91.1Very high91.2Very high111 Ų11152 Ų5252%0.51929%0.286SS..  trans-101.3-25178.2-68.8-179.1178.300112.4K183E24-K183 IonicContact OE1-NZ 3.1Å; E24-K183 PolarHBondContact OE1-NZ 2.87Å; E24-K183 IonicContact OE2-NZ 2.81Å
25T92.9Very high92.2Very high53 Ų5348.7 Ų48.733%0.32526%0.26SS..SBendtrans-122.7165-179.775.30000111.5D27 D28T25-D27 PolarHBondContact O-N 3.49Å; T25-D27 PolarHBondContact OG1-N 3.46Å; T25-D28 PolarHBondContact O-N 3.42Å; T25-D28 VanDerWaalsContact OG1-CG 3.3Å; T25-D28 PolarHBondContact OG1-N 3.28Å; T25-D28 PolarHBondContact OG1-OD2 3.42Å
26L92.3Very high92.6Very high16 Ų1645.5 Ų45.58%0.08425%0.246CC..SBendtrans-66.1-26.7173.9-70.9179.5000112.8D28 F29 L36 R43 I46 E47 L67 I70L26-D28 VanDerWaalsContact C-N 3.31Å; L26-F29 PolarHBondContact O-N 2.99Å; L26-L36 HydrophobicContact CD2-CD1 4.49Å; L26-L36 HydrophobicContact CD2-CD2 4.16Å; L26-R43 HydrophobicContact CD1-CG 4.35Å; L26-I46 HydrophobicContact CD1-CB 4.13Å; L26-I46 HydrophobicContact CD1-CD1 4.36Å; L26-I46 HydrophobicContact CD1-CG2 3.82Å; L26-I46 HydrophobicContact CD2-CD1 4.21Å; L26-I46 HydrophobicContact CG-CG2 4.49Å; L26-E47 HydrophobicContact CD1-CG 4.43Å; L26-L67 HydrophobicContact CD2-CD1 3.88Å; L26-I70 HydrophobicContact CD2-CG2 3.77Å; L26-I70 HydrophobicContact CG-CG2 3.88Å
27D91.3Very high92.6Very high119 Ų11943.4 Ų43.464%0.63624%0.235SC*.THydrogen-bonded Turntrans-75.7-23.6-179.1-66.8-34.6000112T25 R43T25-D27 PolarHBondContact O-N 3.49Å; T25-D27 PolarHBondContact OG1-N 3.46Å; D27-R43 IonicContact OD1-CZ 4Å; D27-R43 IonicContact OD1-NH1 3.82Å; D27-R43 IonicContact OD1-NH2 3.46Å; D27-R43 PolarHBondContact OD1-NH2 3.41Å
28D91.9Very high92.4Very high76 Ų7652.2 Ų52.241%0.40627%0.274SS..THydrogen-bonded Turntrans-86.8-7.4173.2-55.3-48.9000112.8P23 T25 L26P23-D28 HydrophobicContact CB-CB 3.9Å; P23-D28 WeakPolarHBondContact CG-O 3.16Å; T25-D28 PolarHBondContact O-N 3.42Å; T25-D28 VanDerWaalsContact OG1-CG 3.3Å; T25-D28 PolarHBondContact OG1-N 3.28Å; T25-D28 PolarHBondContact OG1-OD2 3.42Å; L26-D28 VanDerWaalsContact C-N 3.31Å
29F93.9Very high92.3Very high23 Ų2353.7 Ų53.710%0.10129%0.291CS..  trans-82.6120.6-177.9-169.1-81.3000110.6L26 Q32 L36 T66 L67 I70L26-F29 PolarHBondContact O-N 2.99Å; F29-Q32 HydrophobicContact CE1-CB 4.22Å; F29-Q32 HydrophobicContact CE1-CG 3.77Å; F29-Q32 HydrophobicContact CZ-CG 4.4Å; F29-L36 HydrophobicContact CD1-CD1 3.48Å; F29-L36 VanDerWaalsContact CD1-CD1 3.48Å; F29-L36 HydrophobicContact CE1-CD1 3.71Å; F29-L36 HydrophobicContact CG-CD1 4.11Å; F29-L36 HydrophobicContact CZ-CD1 4.48Å; F29-T66 HydrophobicContact CD2-CG2 3.99Å; F29-T66 HydrophobicContact CE2-CG2 4.04Å; F29-L67 HydrophobicContact CE2-CB 4.05Å; F29-L67 HydrophobicContact CZ-CB 4.43Å; F29-I70 HydrophobicContact CB-CD1 4.2Å; F29-I70 HydrophobicContact CD2-CD1 3.7Å; F29-I70 HydrophobicContact CG-CD1 4.38Å
30V93.5Very high92.4Very high11 Ų1155.6 Ų55.67%0.06730%0.295CS..  trans-92.2138.9-176.8-1740000111.5D170 Q173 L174V30-D170 HydrophobicContact CG1-CB 3.9Å; V30-D170 VanDerWaalsContact CG1-O 3.26Å; V30-D170 WeakPolarHBondContact CG1-O 3.32Å; V30-Q173 HydrophobicContact CG1-CB 4.23Å; V30-Q173 HydrophobicContact CG1-CG 4.28Å; V30-Q173 HydrophobicContact CG2-CG 4.29Å; V30-L174 HydrophobicContact CB-CB 4.33Å; V30-L174 HydrophobicContact CB-CD1 4.44Å; V30-L174 HydrophobicContact CG1-CB 4.36Å; V30-L174 HydrophobicContact CG2-CB 4.23Å
31G92.8Very high92.3Very high8 Ų858 Ų588%0.08231%0.311CS..SBendtrans81-168.1-179.500000114.6T33G31-T33 PolarHBondContact O-N 3.09Å
32Q93.7Very high92.3Very high8 Ų856.8 Ų56.84%0.03730%0.304CS..  trans55.732.2179.8-46.9-58.1-31.500114.2F29 H34 L35 L36 L163 N164F29-Q32 HydrophobicContact CE1-CB 4.22Å; F29-Q32 HydrophobicContact CE1-CG 3.77Å; F29-Q32 HydrophobicContact CZ-CG 4.4Å; Q32-H34 PolarHBondContact O-N 3.42Å; Q32-H34 VanDerWaalsContact O-N 3.1Å; Q32-H34 PolarHBondContact OE1-CE1 3.32Å; Q32-L35 PolarHBondContact O-N 3.47Å; Q32-L36 HydrophobicContact CB-CD1 4.24Å; Q32-L36 HydrophobicContact CB-CG 4.44Å; Q32-L36 PolarHBondContact O-N 2.85Å; Q32-L163 HydrophobicContact CG-CD2 4.26Å; Q32-L163 HydrophobicContact CG-CG 4.32Å; Q32-N164 PolarHBondContact NE2-O 3.2Å
33T92.3Very high92.3Very high101 Ų10154.8 Ų54.862%0.6230%0.296SS*.Hα-helixtrans-60.7-23.5-176580000113.2G31 L35 G37G31-T33 PolarHBondContact O-N 3.09Å; T33-L35 VanDerWaalsContact C-N 3.27Å; T33-L35 PolarHBondContact O-N 2.94Å; T33-G37 VanDerWaalsContact O-CA 3.27Å; T33-G37 WeakPolarHBondContact O-CA 3.36Å; T33-G37 PolarHBondContact O-N 3.15Å
34H92.6Very high92.3Very high70 Ų7057.3 Ų57.332%0.32431%0.305SS..Hα-helixtrans-66.3-26.5172.863.7-65.4000113.3Q32 K40 V162 N164Q32-H34 PolarHBondContact O-N 3.42Å; Q32-H34 VanDerWaalsContact O-N 3.1Å; Q32-H34 PolarHBondContact OE1-CE1 3.32Å; H34-K40 WeakPolarHBondContact O-CD 3.31Å; H34-K40 WeakPolarHBondContact O-CG 3.02Å; H34-V162 PolarHBondContact NE2-O 2.97Å; H34-N164 PolarHBondContact CE1-ND2 3.43Å
35L93.6Very high92.3Very high24 Ų2452.8 Ų52.813%0.12628%0.284CS..Hα-helixtrans-103.9-37.6177.2-65.9-179000113.3Q32 T33 K40 L42 R43 F161 V162 L163Q32-L35 PolarHBondContact O-N 3.47Å; T33-L35 VanDerWaalsContact C-N 3.27Å; T33-L35 PolarHBondContact O-N 2.94Å; L35-K40 WeakPolarHBondContact O-CB 3.11Å; L35-L42 HydrophobicContact CB-CB 4.34Å; L35-L42 HydrophobicContact CB-CD2 4.23Å; L35-L42 HydrophobicContact CD1-CD2 4.34Å; L35-L42 WeakPolarHBondContact O-CB 3.33Å; L35-R43 PolarHBondContact O-N 3.32Å; L35-F161 HydrophobicContact CD1-CB 4.11Å; L35-F161 HydrophobicContact CD2-CD1 3.99Å; L35-V162 WeakPolarHBondContact CD1-O 3.24Å; L35-L163 HydrophobicContact CD1-CD1 4.34Å; L35-L163 HydrophobicContact CD1-CG 4.42Å
36L93.8Very high92.3Very high12 Ų1250.3 Ų50.36%0.06327%0.269CS..Hα-helixtrans-110.92.9-170.7-60.1179000113.8L26 F29 Q32 L42 R43 I46 L67L26-L36 HydrophobicContact CD2-CD1 4.49Å; L26-L36 HydrophobicContact CD2-CD2 4.16Å; F29-L36 HydrophobicContact CD1-CD1 3.48Å; F29-L36 VanDerWaalsContact CD1-CD1 3.48Å; F29-L36 HydrophobicContact CE1-CD1 3.71Å; F29-L36 HydrophobicContact CG-CD1 4.11Å; F29-L36 HydrophobicContact CZ-CD1 4.48Å; Q32-L36 HydrophobicContact CB-CD1 4.24Å; Q32-L36 HydrophobicContact CB-CG 4.44Å; Q32-L36 PolarHBondContact O-N 2.85Å; L36-L42 HydrophobicContact CD2-CB 4.33Å; L36-L42 HydrophobicContact CD2-CD2 3.93Å; L36-L42 HydrophobicContact CD2-CG 3.93Å; L36-R43 WeakPolarHBondContact O-CD 3.16Å; L36-R43 PolarHBondContact O-NH1 3.4Å; L36-I46 HydrophobicContact CD2-CD1 4.33Å; L36-L67 HydrophobicContact CD1-CD1 3.95Å; L36-L67 HydrophobicContact CD1-CD2 4.41Å; L36-L67 HydrophobicContact CD2-CD1 4.19Å
37G90.7Very high92.3Very high18 Ų1854 Ų5419%0.18629%0.286CS..SBendtrans-61.4158.9169.500000111.9T33 G39 K40T33-G37 VanDerWaalsContact O-CA 3.27Å; T33-G37 WeakPolarHBondContact O-CA 3.36Å; T33-G37 PolarHBondContact O-N 3.15Å; G37-G39 PolarHBondContact O-N 2.6Å; G37-K40 VanDerWaalsContact O-CB 3.27Å; G37-K40 WeakPolarHBondContact O-CB 3.27Å; G37-K40 VanDerWaalsContact O-CG 3.31Å; G37-K40 WeakPolarHBondContact O-CG 3.49Å; G37-K40 PolarHBondContact O-N 3.48Å
38K88.8Confident92.3Very high185 Ų18553.1 Ų53.180%0.80428%0.281SS*.THydrogen-bonded Turntrans-57131.3176-66.9-174.4178.4-1780110.4K40K38-K40 VanDerWaalsContact C-N 3.3Å; K38-K40 PolarHBondContact O-N 3.07Å
39G89.5Confident92.3Very high53 Ų5352.7 Ų52.755%0.54628%0.279SS..THydrogen-bonded Turntrans75.110.9-177.700000115.3G37 E44G37-G39 PolarHBondContact O-N 2.6Å; G39-E44 WeakPolarHBondContact CA-OE1 3.38Å
40K93.3Very high92.2Very high95 Ų9561 Ų6141%0.41331%0.309SS..  trans-87.1147.4174.3-62.7-60.7-171.5176.50111H34 L35 G37 K38 L42 R43 E44H34-K40 WeakPolarHBondContact O-CD 3.31Å; H34-K40 WeakPolarHBondContact O-CG 3.02Å; L35-K40 WeakPolarHBondContact O-CB 3.11Å; G37-K40 VanDerWaalsContact O-CB 3.27Å; G37-K40 WeakPolarHBondContact O-CB 3.27Å; G37-K40 VanDerWaalsContact O-CG 3.31Å; G37-K40 WeakPolarHBondContact O-CG 3.49Å; G37-K40 PolarHBondContact O-N 3.48Å; K38-K40 VanDerWaalsContact C-N 3.3Å; K38-K40 PolarHBondContact O-N 3.07Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.43Å; K40-R43 PolarHBondContact O-N 3.39Å; K40-R43 VanDerWaalsContact O-N 3.15Å; K40-E44 WeakPolarHBondContact O-CG 3.36Å; K40-E44 PolarHBondContact O-N 2.91Å
41L90.1Very high92.1Very high102 Ų10261.1 Ų61.153%0.53431%0.31SS..Hα-helixtrans-52.7-46.3-171.8-179.964.9000113.5E44 I45 F161L41-E44 PolarHBondContact O-N 3.28Å; L41-I45 HydrophobicContact CD1-CD1 3.79Å; L41-I45 HydrophobicContact CD1-CG1 4.25Å; L41-I45 HydrophobicContact CG-CD1 3.8Å; L41-I45 WeakPolarHBondContact O-CB 3.39Å; L41-I45 WeakPolarHBondContact O-CD1 3.39Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 3.39Å; L41-F161 HydrophobicContact CD2-CE1 4.4Å
42L92.9Very high92.1Very high1 Ų162.8 Ų62.81%0.00532%0.32CS..Hα-helixtrans-69.2-43.5-177.2-177.856.8000110.9L35 L36 K40 E44 I45 I46 M54 F56 L67 F161L35-L42 HydrophobicContact CB-CB 4.34Å; L35-L42 HydrophobicContact CB-CD2 4.23Å; L35-L42 HydrophobicContact CD1-CD2 4.34Å; L35-L42 WeakPolarHBondContact O-CB 3.33Å; L36-L42 HydrophobicContact CD2-CB 4.33Å; L36-L42 HydrophobicContact CD2-CD2 3.93Å; L36-L42 HydrophobicContact CD2-CG 3.93Å; K40-L42 VanDerWaalsContact C-N 3.34Å; K40-L42 PolarHBondContact O-N 3.43Å; L42-E44 PolarHBondContact O-N 3.23Å; L42-I45 PolarHBondContact O-N 3.05Å; L42-I46 HydrophobicContact CD1-CD1 3.87Å; L42-I46 HydrophobicContact CD1-CG1 4.19Å; L42-I46 HydrophobicContact CG-CD1 3.83Å; L42-I46 WeakPolarHBondContact O-CD1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 2.98Å; L42-I46 VanDerWaalsContact O-N 3.09Å; L42-M54 HydrophobicContact CD1-CE 4.35Å; L42-M54 HydrophobicContact CD1-SD 4.14Å; L42-F56 HydrophobicContact CD2-CE1 4.01Å; L42-L67 HydrophobicContact CD2-CD2 4.01Å; L42-F161 HydrophobicContact CB-CD1 4.3Å; L42-F161 HydrophobicContact CB-CE1 3.98Å; L42-F161 HydrophobicContact CB-CZ 4.36Å; L42-F161 HydrophobicContact CD1-CD2 4.23Å; L42-F161 HydrophobicContact CD1-CE1 4.27Å; L42-F161 HydrophobicContact CD1-CE2 3.85Å; L42-F161 HydrophobicContact CD1-CZ 3.87Å; L42-F161 HydrophobicContact CD2-CD1 4.3Å; L42-F161 HydrophobicContact CD2-CG 4.24Å
43R93.7Very high92.2Very high30 Ų3062.8 Ų62.811%0.11332%0.322CS..Hα-helixtrans-57.9-47.8173.8179.7156.3-178.2153.513.6112L26 D27 L35 L36 K40 I45 I46 E47L26-R43 HydrophobicContact CD1-CG 4.35Å; D27-R43 IonicContact OD1-CZ 4Å; D27-R43 IonicContact OD1-NH1 3.82Å; D27-R43 IonicContact OD1-NH2 3.46Å; D27-R43 PolarHBondContact OD1-NH2 3.41Å; L35-R43 PolarHBondContact O-N 3.32Å; L36-R43 WeakPolarHBondContact O-CD 3.16Å; L36-R43 PolarHBondContact O-NH1 3.4Å; K40-R43 PolarHBondContact O-N 3.39Å; K40-R43 VanDerWaalsContact O-N 3.15Å; R43-I45 PolarHBondContact O-N 2.93Å; R43-I46 PolarHBondContact O-N 3.43Å; R43-E47 VanDerWaalsContact CG-CD 3.49Å; R43-E47 HydrophobicContact CG-CG 4.1Å; R43-E47 WeakPolarHBondContact CG-OE1 3.47Å; R43-E47 IonicContact CZ-OE1 3.42Å; R43-E47 IonicContact NE-OE1 3.61Å; R43-E47 PolarHBondContact NE-OE1 3.27Å; R43-E47 IonicContact NE-OE2 3.16Å; R43-E47 IonicContact NH2-OE1 2.61Å; R43-E47 PolarHBondContact NH2-OE1 2.74Å; R43-E47 WeakPolarHBondContact O-CB 3.44Å; R43-E47 WeakPolarHBondContact O-CG 3.4Å; R43-E47 PolarHBondContact O-N 2.73Å
44E92.8Very high92.4Very high88 Ų8858 Ų5841%0.41129%0.292SS..Hα-helixtrans-62.2-40.3178.9-71.6-177.3171.300112.8G39 K40 L41 L42 I46 N48G39-E44 WeakPolarHBondContact CA-OE1 3.38Å; K40-E44 WeakPolarHBondContact O-CG 3.36Å; K40-E44 PolarHBondContact O-N 2.91Å; L41-E44 PolarHBondContact O-N 3.28Å; L42-E44 PolarHBondContact O-N 3.23Å; E44-I46 VanDerWaalsContact C-N 3.3Å; E44-I46 PolarHBondContact O-N 2.95Å; E44-N48 VanDerWaalsContact O-CB 3.26Å; E44-N48 WeakPolarHBondContact O-CB 3.38Å; E44-N48 PolarHBondContact O-N 3.34Å; E44-N48 PolarHBondContact O-ND2 3.24Å
45I92.7Very high92.6Very high16 Ų1654.7 Ų54.78%0.08228%0.277CS..Hα-helixtrans-62.9-39.6177.3-74.6169.5000111L41 L42 R43 D49 R50 V51 F161L41-I45 HydrophobicContact CD1-CD1 3.79Å; L41-I45 HydrophobicContact CD1-CG1 4.25Å; L41-I45 HydrophobicContact CG-CD1 3.8Å; L41-I45 WeakPolarHBondContact O-CB 3.39Å; L41-I45 WeakPolarHBondContact O-CD1 3.39Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 3.39Å; L42-I45 PolarHBondContact O-N 3.05Å; R43-I45 PolarHBondContact O-N 2.93Å; I45-D49 PolarHBondContact O-N 2.82Å; I45-R50 WeakPolarHBondContact CG2-O 3.41Å; I45-R50 PolarHBondContact O-N 2.66Å; I45-V51 HydrophobicContact CG2-CB 4.43Å; I45-V51 HydrophobicContact CG2-CG2 4.16Å; I45-F161 HydrophobicContact CD1-CZ 4.48Å
46I93.1Very high92.8Very high1 Ų153.5 Ų53.51%0.00527%0.271CS..Hα-helixtrans-73.8-48.7-179.4-61.6166.2000110.8L26 L36 L42 R43 E44 N48 D49 V51 L67 I71 Q74L26-I46 HydrophobicContact CD1-CB 4.13Å; L26-I46 HydrophobicContact CD1-CD1 4.36Å; L26-I46 HydrophobicContact CD1-CG2 3.82Å; L26-I46 HydrophobicContact CD2-CD1 4.21Å; L26-I46 HydrophobicContact CG-CG2 4.49Å; L36-I46 HydrophobicContact CD2-CD1 4.33Å; L42-I46 HydrophobicContact CD1-CD1 3.87Å; L42-I46 HydrophobicContact CD1-CG1 4.19Å; L42-I46 HydrophobicContact CG-CD1 3.83Å; L42-I46 WeakPolarHBondContact O-CD1 3.27Å; L42-I46 WeakPolarHBondContact O-CG1 3.5Å; L42-I46 PolarHBondContact O-N 2.98Å; L42-I46 VanDerWaalsContact O-N 3.09Å; R43-I46 PolarHBondContact O-N 3.43Å; E44-I46 VanDerWaalsContact C-N 3.3Å; E44-I46 PolarHBondContact O-N 2.95Å; I46-N48 VanDerWaalsContact C-N 3.27Å; I46-N48 PolarHBondContact O-N 2.97Å; I46-D49 PolarHBondContact O-N 3.4Å; I46-V51 HydrophobicContact CG1-CG2 4.46Å; I46-L67 HydrophobicContact CD1-CD1 4.35Å; I46-I71 HydrophobicContact CD1-CD1 3.79Å; I46-I71 HydrophobicContact CD1-CG1 3.57Å; I46-I71 HydrophobicContact CG1-CD1 4.13Å; I46-I71 HydrophobicContact CG1-CG1 3.8Å; I46-I71 HydrophobicContact CG2-CG1 4.3Å; I46-Q74 HydrophobicContact CG2-CB 4.17Å; I46-Q74 HydrophobicContact CG2-CG 4.08Å
47E91.5Very high92.8Very high94 Ų9455 Ų5544%0.43928%0.275SS..Hα-helixtrans-63.1-32.3-179.1-73.6177.8165.300112.4L26 R43L26-E47 HydrophobicContact CD1-CG 4.43Å; R43-E47 VanDerWaalsContact CG-CD 3.49Å; R43-E47 HydrophobicContact CG-CG 4.1Å; R43-E47 WeakPolarHBondContact CG-OE1 3.47Å; R43-E47 IonicContact CZ-OE1 3.42Å; R43-E47 IonicContact NE-OE1 3.61Å; R43-E47 PolarHBondContact NE-OE1 3.27Å; R43-E47 IonicContact NE-OE2 3.16Å; R43-E47 IonicContact NH2-OE1 2.61Å; R43-E47 PolarHBondContact NH2-OE1 2.74Å; R43-E47 WeakPolarHBondContact O-CB 3.44Å; R43-E47 WeakPolarHBondContact O-CG 3.4Å; R43-E47 PolarHBondContact O-N 2.73Å
48N91.8Very high92.7Very high100 Ų10054.2 Ų54.254%0.53527%0.268SS..THydrogen-bonded Turntrans-915.7178.3-66.4-60.9000114.5E44 I46 R50E44-N48 VanDerWaalsContact O-CB 3.26Å; E44-N48 WeakPolarHBondContact O-CB 3.38Å; E44-N48 PolarHBondContact O-N 3.34Å; E44-N48 PolarHBondContact O-ND2 3.24Å; I46-N48 VanDerWaalsContact C-N 3.27Å; I46-N48 PolarHBondContact O-N 2.97Å; N48-R50 HydrophobicContact CB-CG 4.13Å; N48-R50 WeakPolarHBondContact O-CG 3.44Å; N48-R50 PolarHBondContact O-N 2.61Å
49D91.3Very high92.6Very high67 Ų6747.7 Ų47.736%0.35824%0.244SC..THydrogen-bonded Turntrans51.141.7-176.5-17219.7000113.2I45 I46 T75 K108I45-D49 PolarHBondContact O-N 2.82Å; I46-D49 PolarHBondContact O-N 3.4Å; D49-T75 HydrophobicContact CB-CG2 4.47Å; D49-T75 VanDerWaalsContact OD1-CB 3.31Å; D49-T75 WeakPolarHBondContact OD1-CB 3.34Å; D49-T75 WeakPolarHBondContact OD1-CG2 3.27Å; D49-K108 IonicContact OD1-NZ 2.74Å; D49-K108 PolarHBondContact OD1-NZ 3.42Å; D49-K108 IonicContact OD2-NZ 3.31Å; D49-K108 PolarHBondContact OD2-NZ 3.09Å
50R91Very high92.5Very high196 Ų19647.9 Ų47.974%0.7424%0.236SC*.  trans-108.425.8178.2-64.9-172.9-178.9-177.20.1112.6I45 N48 S52I45-R50 WeakPolarHBondContact CG2-O 3.41Å; I45-R50 PolarHBondContact O-N 2.66Å; N48-R50 HydrophobicContact CB-CG 4.13Å; N48-R50 WeakPolarHBondContact O-CG 3.44Å; N48-R50 PolarHBondContact O-N 2.61Å; R50-S52 PolarHBondContact O-N 3.28Å
51V92Very high92.4Very high14 Ų1444 Ų449%0.08522%0.223CC..  trans-63.2127.9-174.3-1770000110.1I45 I46 M54 I71 T75 I137I45-V51 HydrophobicContact CG2-CB 4.43Å; I45-V51 HydrophobicContact CG2-CG2 4.16Å; I46-V51 HydrophobicContact CG1-CG2 4.46Å; V51-M54 HydrophobicContact CG1-CE 3.52Å; V51-I71 HydrophobicContact CB-CG2 4.37Å; V51-I71 HydrophobicContact CG1-CG2 3.72Å; V51-I71 HydrophobicContact CG2-CG2 3.86Å; V51-T75 HydrophobicContact CB-CG2 4.42Å; V51-T75 HydrophobicContact CG2-CG2 3.67Å; V51-I137 HydrophobicContact CB-CD1 4.5Å; V51-I137 HydrophobicContact CG1-CG2 3.98Å; V51-I137 WeakPolarHBondContact O-CD1 3.49Å
52S93.1Very high92.5Very high43 Ų4339.3 Ų39.330%0.30120%0.198SC..  trans-112.2171.1171.666.70000110.2R50 M54R50-S52 PolarHBondContact O-N 3.28Å; S52-M54 WeakPolarHBondContact O-CE 3.49Å; S52-M54 PolarHBondContact O-N 3.13Å
53S96.2Very high92.6Very high9 Ų940 Ų406%0.06321%0.206CC..  trans-54.5140.4172.4-630000111.4V131 L138 S158 K159S53-V131 WeakPolarHBondContact OG-CG1 3.47Å; S53-L138 CarbonylContact C-O 3.57Å; S53-L138 WeakPolarHBondContact CA-O 3.2Å; S53-L138 PolarHBondContact OG-N 3.24Å; S53-S158 WeakPolarHBondContact O-CA 3.5Å; S53-K159 PolarHBondContact O-N 2.77Å
54M96.7Very high92.6Very high0 Ų039.2 Ų39.20%020%0.204CC..EExtended strand (participates in β ladder)trans-152.2158.8-174.864.8-174.37300112.8L42 V51 S52 F56 I71 L138 I139 G140 K159 F161L42-M54 HydrophobicContact CD1-CE 4.35Å; L42-M54 HydrophobicContact CD1-SD 4.14Å; V51-M54 HydrophobicContact CG1-CE 3.52Å; S52-M54 WeakPolarHBondContact O-CE 3.49Å; S52-M54 PolarHBondContact O-N 3.13Å; M54-F56 HydrophobicContact CG-CE1 4.29Å; M54-F56 HydrophobicContact CG-CZ 4.22Å; M54-F56 HydrophobicContact SD-CE1 3.57Å; M54-F56 VanDerWaalsContact SD-CE1 3.57Å; M54-F56 HydrophobicContact SD-CE2 4.3Å; M54-F56 HydrophobicContact SD-CZ 3.38Å; M54-F56 WeakPolarHBondContact SD-CZ 3.18Å; M54-I71 HydrophobicContact SD-CD1 4.12Å; M54-L138 PolarHBondContact N-O 3.22Å; M54-I139 HydrophobicContact CG-CG1 4.03Å; M54-I139 HydrophobicContact CG-CG2 4.22Å; M54-I139 VanDerWaalsContact O-CA 3.31Å; M54-I139 WeakPolarHBondContact O-CA 3.43Å; M54-G140 PolarHBondContact O-N 2.99Å; M54-K159 CarbonylContact C-O 3.56Å; M54-K159 WeakPolarHBondContact CA-O 3.4Å; M54-K159 HydrophobicContact CB-CB 4.47Å; M54-K159 VanDerWaalsContact CB-O 3.24Å; M54-K159 WeakPolarHBondContact CB-O 3.25Å; M54-F161 HydrophobicContact CB-CD2 3.98Å; M54-F161 HydrophobicContact CB-CE2 3.95Å; M54-F161 HydrophobicContact CE-CE2 4.35Å; M54-F161 HydrophobicContact SD-CD2 4.12Å; M54-F161 HydrophobicContact SD-CE2 4.05Å
55I96.3Very high92.7Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-120.4122.7174-55.8-61.9000108.2I116 G140 T142 P146 I150 L155 K159 V160 F161I55-I116 HydrophobicContact CD1-CD1 4.24Å; I55-G140 CarbonylContact C-O 3.49Å; I55-G140 WeakPolarHBondContact CA-O 3.22Å; I55-T142 HydrophobicContact CG2-CG2 4.01Å; I55-P146 HydrophobicContact CG2-CB 4.27Å; I55-I150 HydrophobicContact CD1-CD1 4.04Å; I55-I150 HydrophobicContact CG1-CD1 4.16Å; I55-I150 HydrophobicContact CG2-CD1 3.8Å; I55-L155 HydrophobicContact CG1-CD2 4.4Å; I55-K159 PolarHBondContact N-O 3.32Å; I55-V160 HydrophobicContact CB-CG2 4.37Å; I55-V160 WeakPolarHBondContact O-CA 3.41Å; I55-F161 PolarHBondContact O-N 3.46Å
56F97.1Very high92.8Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-89.5114.9168.1-64.6-41.1000109.5L42 M54 K64 L67 A68 I71 I139 G140 A141 T142 F161 L163L42-F56 HydrophobicContact CD2-CE1 4.01Å; M54-F56 HydrophobicContact CG-CE1 4.29Å; M54-F56 HydrophobicContact CG-CZ 4.22Å; M54-F56 HydrophobicContact SD-CE1 3.57Å; M54-F56 VanDerWaalsContact SD-CE1 3.57Å; M54-F56 HydrophobicContact SD-CE2 4.3Å; M54-F56 HydrophobicContact SD-CZ 3.38Å; M54-F56 WeakPolarHBondContact SD-CZ 3.18Å; F56-K64 HydrophobicContact CB-CB 4.18Å; F56-K64 HydrophobicContact CB-CD 4.13Å; F56-K64 HydrophobicContact CB-CG 4Å; F56-L67 HydrophobicContact CD1-CD2 4.4Å; F56-L67 HydrophobicContact CE1-CD2 3.8Å; F56-L67 HydrophobicContact CE1-CG 4.49Å; F56-L67 HydrophobicContact CE2-CB 4.25Å; F56-L67 HydrophobicContact CE2-CD2 4.09Å; F56-L67 HydrophobicContact CE2-CG 4.05Å; F56-L67 HydrophobicContact CZ-CD2 3.62Å; F56-L67 HydrophobicContact CZ-CG 3.82Å; F56-A68 HydrophobicContact CE2-CB 4.39Å; F56-I71 HydrophobicContact CE2-CD1 4.25Å; F56-I71 HydrophobicContact CZ-CD1 3.72Å; F56-I139 HydrophobicContact CD2-CG2 3.6Å; F56-I139 HydrophobicContact CE2-CG2 3.44Å; F56-I139 VanDerWaalsContact CE2-CG2 3.44Å; F56-I139 HydrophobicContact CZ-CG2 4.3Å; F56-G140 PolarHBondContact N-O 3.04Å; F56-A141 WeakPolarHBondContact O-CA 3.31Å; F56-T142 PolarHBondContact O-N 3.31Å; F56-F161 HydrophobicContact CD1-CB 4.01Å; F56-F161 HydrophobicContact CE1-CB 4.25Å; F56-F161 HydrophobicContact CE1-CD2 4.17Å; F56-L163 HydrophobicContact CB-CD1 3.85Å; F56-L163 HydrophobicContact CD1-CD1 3.69Å; F56-L163 HydrophobicContact CG-CD1 4.03Å
57W94.5Very high92.9Very high42 Ų4236.3 Ų36.316%0.15919%0.193CC..EExtended strand (participates in β ladder)trans-112.5126.6176.6169.933.2000109.5T142 N145 P146 V160 F161 V162 L163 E252W57-T142 WeakPolarHBondContact CA-O 3.43Å; W57-T142 HydrophobicContact CB-CG2 4.1Å; W57-T142 HydrophobicContact CG-CG2 4.44Å; W57-N145 HydrophobicContact CH2-CB 4.47Å; W57-N145 HydrophobicContact CZ2-CB 3.93Å; W57-P146 HydrophobicContact CB-CG 4.33Å; W57-P146 VanDerWaalsContact CD2-CD 3.42Å; W57-P146 HydrophobicContact CD2-CG 4.18Å; W57-P146 HydrophobicContact CE3-CG 4.02Å; W57-P146 HydrophobicContact CG-CG 4.33Å; W57-V160 HydrophobicContact CB-CG1 4.49Å; W57-V160 HydrophobicContact CE3-CG1 4.38Å; W57-F161 PolarHBondContact N-O 2.83Å; W57-V162 HydrophobicContact CE3-CG2 3.68Å; W57-V162 HydrophobicContact CZ3-CG2 3.99Å; W57-V162 CarbonylContact O-C 3.5Å; W57-V162 WeakPolarHBondContact O-CA 3.3Å; W57-L163 PolarHBondContact O-N 3.5Å; W57-E252 VanDerWaalsContact CE2-OE2 3.23Å; W57-E252 VanDerWaalsContact CZ2-CD 3.45Å; W57-E252 VanDerWaalsContact CZ2-OE1 3.25Å; W57-E252 WeakPolarHBondContact CZ2-OE1 3.34Å; W57-E252 WeakPolarHBondContact CZ2-OE2 3.43Å; W57-E252 PolarHBondContact NE1-OE2 2.94Å
58G89Confident93.1Very high3 Ų331.9 Ų31.93%0.03117%0.172CC..  trans171.2175.2173.600000112.6K64 T142 T143 L163G58-K64 PolarHBondContact O-NZ 3.44Å; G58-T142 PolarHBondContact N-O 2.93Å; G58-T142 VanDerWaalsContact N-O 3.07Å; G58-T143 WeakPolarHBondContact O-CA 3.28Å; G58-L163 WeakPolarHBondContact CA-O 3.37Å
59P85.6Confident93.2Very high47 Ų4731.1 Ų31.131%0.30516%0.162SC..  trans-56.4165-179.2-2534.2000114V62 K64 L163 Q165P59-V62 HydrophobicContact CB-CG1 4Å; P59-V62 HydrophobicContact CG-CG1 4.35Å; P59-V62 VanDerWaalsContact O-CG2 3.25Å; P59-V62 WeakPolarHBondContact O-CG2 3.46Å; P59-K64 PolarHBondContact O-NZ 2.83Å; P59-L163 WeakPolarHBondContact CD-O 3.23Å; P59-Q165 HydrophobicContact CG-CB 4.39Å
60P87.7Confident93.4Very high58 Ų5828 Ų2838%0.37715%0.145SC..THydrogen-bonded Turntrans-59.2155.5169.527.4-35000111.3V62P60-V62 PolarHBondContact O-N 2.78Å
61G90.4Very high93.5Very high14 Ų1418.6 Ų18.614%0.14411%0.11CC..THydrogen-bonded Turntrans75.7-10.517400000117.5G63 D207 A208G61-G63 PolarHBondContact O-N 3.45Å; G61-G63 VanDerWaalsContact O-N 3.09Å; G61-D207 VanDerWaalsContact CA-OD1 3.24Å; G61-D207 WeakPolarHBondContact CA-OD1 3.45Å; G61-A208 WeakPolarHBondContact O-CB 3.36Å
62V93.5Very high93.6Very high2 Ų218 Ų181%0.01211%0.106CC..SBendtrans-75.64.9-175.9-54.10000115.4P59 P60 K64 L163 N164P59-V62 HydrophobicContact CB-CG1 4Å; P59-V62 HydrophobicContact CG-CG1 4.35Å; P59-V62 VanDerWaalsContact O-CG2 3.25Å; P59-V62 WeakPolarHBondContact O-CG2 3.46Å; P60-V62 PolarHBondContact O-N 2.78Å; V62-K64 HydrophobicContact CG2-CG 3.94Å; V62-L163 HydrophobicContact CB-CB 4.4Å; V62-L163 HydrophobicContact CG2-CB 3.67Å; V62-L163 HydrophobicContact CG2-CD2 3.96Å; V62-L163 HydrophobicContact CG2-CG 4.48Å; V62-N164 VanDerWaalsContact CG1-O 3.3Å; V62-N164 WeakPolarHBondContact CG1-O 3.33Å
63G93.7Very high93.6Very high17 Ų1721 Ų2118%0.17512%0.119CC..SBendtrans94.313.5173.400000117.1G61 T65 T66 L67G61-G63 PolarHBondContact O-N 3.45Å; G61-G63 VanDerWaalsContact O-N 3.09Å; G63-T65 PolarHBondContact O-N 3.36Å; G63-T66 WeakPolarHBondContact O-CB 3.38Å; G63-T66 PolarHBondContact O-N 3.41Å; G63-T66 VanDerWaalsContact O-N 3.1Å; G63-L67 WeakPolarHBondContact O-CB 3.26Å; G63-L67 PolarHBondContact O-N 3.4Å
64K95.1Very high93.4Very high12 Ų1225.3 Ų25.35%0.05214%0.138CC..Hα-helixtrans-48.7-53.8178.9-59.3-173.7-68.5-92.30113.6F56 G58 P59 V62 T66 L67 A68 A141 L163F56-K64 HydrophobicContact CB-CB 4.18Å; F56-K64 HydrophobicContact CB-CD 4.13Å; F56-K64 HydrophobicContact CB-CG 4Å; G58-K64 PolarHBondContact O-NZ 3.44Å; P59-K64 PolarHBondContact O-NZ 2.83Å; V62-K64 HydrophobicContact CG2-CG 3.94Å; K64-T66 PolarHBondContact O-N 2.78Å; K64-L67 PolarHBondContact O-N 3.49Å; K64-A68 PolarHBondContact O-N 3.22Å; K64-A68 VanDerWaalsContact O-N 3.12Å; K64-A141 HydrophobicContact CB-CB 3.97Å; K64-A141 HydrophobicContact CD-CB 4Å; K64-L163 HydrophobicContact CG-CD2 4.09Å
65T93.7Very high93Very high21 Ų2125.7 Ų25.713%0.12914%0.14CC..Hα-helixtrans-65.5-37.5179.3-41.40000112.4G63 R69 F112G63-T65 PolarHBondContact O-N 3.36Å; T65-R69 WeakPolarHBondContact O-CG 3.47Å; T65-R69 PolarHBondContact O-N 3.44Å; T65-F112 HydrophobicContact CG2-CD1 4.48Å; T65-F112 HydrophobicContact CG2-CE1 3.75Å; T65-F112 HydrophobicContact CG2-CZ 4.14Å
66T94.7Very high92.8Very high23 Ų2334.8 Ų34.814%0.14118%0.18CC..Hα-helixtrans-65.8-46.9177.8-62.90000110.3R22 P23 F29 G63 K64 A68 R69 I70R22-T66 HydrophobicContact CG-CG2 3.72Å; P23-T66 HydrophobicContact CB-CG2 4.11Å; P23-T66 HydrophobicContact CG-CG2 4.15Å; F29-T66 HydrophobicContact CD2-CG2 3.99Å; F29-T66 HydrophobicContact CE2-CG2 4.04Å; G63-T66 WeakPolarHBondContact O-CB 3.38Å; G63-T66 PolarHBondContact O-N 3.41Å; G63-T66 VanDerWaalsContact O-N 3.1Å; K64-T66 PolarHBondContact O-N 2.78Å; T66-A68 VanDerWaalsContact C-N 3.35Å; T66-A68 PolarHBondContact O-N 3.13Å; T66-R69 WeakPolarHBondContact O-CB 3.49Å; T66-R69 PolarHBondContact O-N 2.87Å; T66-R69 VanDerWaalsContact O-N 3.09Å; T66-I70 HydrophobicContact CG2-CD1 3.92Å; T66-I70 HydrophobicContact CG2-CG1 4.46Å; T66-I70 WeakPolarHBondContact O-CG1 3.48Å; T66-I70 PolarHBondContact O-N 3.22Å
67L95.5Very high92.4Very high1 Ų135.5 Ų35.51%0.00518%0.184CC..Hα-helixtrans-60.6-44179.4-174.455.9000111.4L26 F29 L36 L42 I46 F56 G63 K64 R69 I70 I71 L163L26-L67 HydrophobicContact CD2-CD1 3.88Å; F29-L67 HydrophobicContact CE2-CB 4.05Å; F29-L67 HydrophobicContact CZ-CB 4.43Å; L36-L67 HydrophobicContact CD1-CD1 3.95Å; L36-L67 HydrophobicContact CD1-CD2 4.41Å; L36-L67 HydrophobicContact CD2-CD1 4.19Å; L42-L67 HydrophobicContact CD2-CD2 4.01Å; I46-L67 HydrophobicContact CD1-CD1 4.35Å; F56-L67 HydrophobicContact CD1-CD2 4.4Å; F56-L67 HydrophobicContact CE1-CD2 3.8Å; F56-L67 HydrophobicContact CE1-CG 4.49Å; F56-L67 HydrophobicContact CE2-CB 4.25Å; F56-L67 HydrophobicContact CE2-CD2 4.09Å; F56-L67 HydrophobicContact CE2-CG 4.05Å; F56-L67 HydrophobicContact CZ-CD2 3.62Å; F56-L67 HydrophobicContact CZ-CG 3.82Å; G63-L67 WeakPolarHBondContact O-CB 3.26Å; G63-L67 PolarHBondContact O-N 3.4Å; K64-L67 PolarHBondContact O-N 3.49Å; L67-R69 VanDerWaalsContact C-N 3.25Å; L67-R69 PolarHBondContact O-N 2.95Å; L67-I70 PolarHBondContact O-N 2.95Å; L67-I71 HydrophobicContact CD1-CD1 4.49Å; L67-I71 HydrophobicContact CG-CD1 4.18Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.27Å; L67-L163 HydrophobicContact CD2-CD2 4.42Å
68A95.7Very high92.4Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-57.1-38.217500000112.9F56 K64 T66 A72 F79 F112 I139F56-A68 HydrophobicContact CE2-CB 4.39Å; K64-A68 PolarHBondContact O-N 3.22Å; K64-A68 VanDerWaalsContact O-N 3.12Å; T66-A68 VanDerWaalsContact C-N 3.35Å; T66-A68 PolarHBondContact O-N 3.13Å; A68-A72 PolarHBondContact O-N 2.84Å; A68-A72 VanDerWaalsContact O-N 3.13Å; A68-F79 HydrophobicContact CB-CE2 4.06Å; A68-F79 HydrophobicContact CB-CZ 4.31Å; A68-F112 HydrophobicContact CB-CD2 3.32Å; A68-F112 HydrophobicContact CB-CE2 3.64Å; A68-F112 HydrophobicContact CB-CG 4.01Å; A68-I139 HydrophobicContact CB-CD1 4.25Å; A68-I139 HydrophobicContact CB-CG2 3.95Å
69R94.7Very high92.6Very high84 Ų8439.1 Ų39.132%0.31720%0.202SC..Hα-helixtrans-71.3-41.5176.7-73178.1175.4-84-0.4112.7R22 T65 T66 L67 I71 A72 N73 F79R22-R69 VanDerWaalsContact NH1-NE 3.16Å; T65-R69 WeakPolarHBondContact O-CG 3.47Å; T65-R69 PolarHBondContact O-N 3.44Å; T66-R69 WeakPolarHBondContact O-CB 3.49Å; T66-R69 PolarHBondContact O-N 2.87Å; T66-R69 VanDerWaalsContact O-N 3.09Å; L67-R69 VanDerWaalsContact C-N 3.25Å; L67-R69 PolarHBondContact O-N 2.95Å; R69-I71 VanDerWaalsContact C-N 3.28Å; R69-I71 PolarHBondContact O-N 2.93Å; R69-A72 PolarHBondContact O-N 3.34Å; R69-N73 PolarHBondContact O-N 2.94Å; R69-F79 HydrophobicContact CG-CD1 4.34Å; R69-F79 HydrophobicContact CG-CE1 3.76Å; R69-F79 HydrophobicContact CG-CE2 4.36Å; R69-F79 HydrophobicContact CG-CZ 3.75Å
70I94.5Very high92.9Very high1 Ų138.5 Ų38.51%0.00520%0.195CC..Hα-helixtrans-59.4-44.1175-65.7165.6000109.8P23 L26 F29 T66 L67 A72 N73 Q74P23-I70 HydrophobicContact CB-CD1 4.14Å; L26-I70 HydrophobicContact CD2-CG2 3.77Å; L26-I70 HydrophobicContact CG-CG2 3.88Å; F29-I70 HydrophobicContact CB-CD1 4.2Å; F29-I70 HydrophobicContact CD2-CD1 3.7Å; F29-I70 HydrophobicContact CG-CD1 4.38Å; T66-I70 HydrophobicContact CG2-CD1 3.92Å; T66-I70 HydrophobicContact CG2-CG1 4.46Å; T66-I70 WeakPolarHBondContact O-CG1 3.48Å; T66-I70 PolarHBondContact O-N 3.22Å; L67-I70 PolarHBondContact O-N 2.95Å; I70-A72 VanDerWaalsContact C-N 3.34Å; I70-A72 PolarHBondContact O-N 3.2Å; I70-N73 PolarHBondContact O-N 2.97Å; I70-Q74 WeakPolarHBondContact O-CB 3.41Å; I70-Q74 PolarHBondContact O-N 3.41Å
71I94.9Very high93.1Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-58.5-46.1176.8-66.8172.9000111I46 V51 M54 F56 L67 R69 Q74 T75 I110 I139I46-I71 HydrophobicContact CD1-CD1 3.79Å; I46-I71 HydrophobicContact CD1-CG1 3.57Å; I46-I71 HydrophobicContact CG1-CD1 4.13Å; I46-I71 HydrophobicContact CG1-CG1 3.8Å; I46-I71 HydrophobicContact CG2-CG1 4.3Å; V51-I71 HydrophobicContact CB-CG2 4.37Å; V51-I71 HydrophobicContact CG1-CG2 3.72Å; V51-I71 HydrophobicContact CG2-CG2 3.86Å; M54-I71 HydrophobicContact SD-CD1 4.12Å; F56-I71 HydrophobicContact CE2-CD1 4.25Å; F56-I71 HydrophobicContact CZ-CD1 3.72Å; L67-I71 HydrophobicContact CD1-CD1 4.49Å; L67-I71 HydrophobicContact CG-CD1 4.18Å; L67-I71 WeakPolarHBondContact O-CG1 3.43Å; L67-I71 PolarHBondContact O-N 3.27Å; R69-I71 VanDerWaalsContact C-N 3.28Å; R69-I71 PolarHBondContact O-N 2.93Å; I71-Q74 PolarHBondContact O-N 2.9Å; I71-T75 HydrophobicContact CG2-CG2 4.42Å; I71-T75 WeakPolarHBondContact O-CB 3.36Å; I71-T75 VanDerWaalsContact O-CG2 3.32Å; I71-T75 WeakPolarHBondContact O-CG2 3.29Å; I71-T75 PolarHBondContact O-N 3.1Å; I71-T75 PolarHBondContact O-OG1 3.31Å; I71-I110 HydrophobicContact CG2-CD1 3.84Å; I71-I139 HydrophobicContact CB-CD1 4.46Å; I71-I139 HydrophobicContact CD1-CD1 4.22Å; I71-I139 HydrophobicContact CG2-CD1 4.22Å
72A93.9Very high92.9Very high1 Ų139.2 Ų39.21%0.00819%0.192CC..Hα-helixtrans-63.8-41.8178.500000113.1A68 R69 I70 T75 K76 S77 F79 I110A68-A72 PolarHBondContact O-N 2.84Å; A68-A72 VanDerWaalsContact O-N 3.13Å; R69-A72 PolarHBondContact O-N 3.34Å; I70-A72 VanDerWaalsContact C-N 3.34Å; I70-A72 PolarHBondContact O-N 3.2Å; A72-T75 PolarHBondContact O-OG1 2.67Å; A72-K76 PolarHBondContact O-N 3.37Å; A72-S77 PolarHBondContact O-N 2.88Å; A72-F79 HydrophobicContact CB-CB 3.8Å; A72-F79 HydrophobicContact CB-CD2 3.54Å; A72-F79 HydrophobicContact CB-CE2 4.44Å; A72-F79 HydrophobicContact CB-CG 4Å; A72-I110 HydrophobicContact CB-CD1 4.01Å
73N92.5Very high92.1Very high106 Ų10641.4 Ų41.457%0.56721%0.208SC*.Hα-helixtrans-63.5-46.3176.1-71.9-11.4000111.6R69 I70 T75 K76R69-N73 PolarHBondContact O-N 2.94Å; I70-N73 PolarHBondContact O-N 2.97Å; N73-T75 PolarHBondContact O-N 3.19Å; N73-K76 PolarHBondContact O-N 3.49Å
74Q91.7Very high91.1Very high100 Ų10041 Ų4147%0.46720%0.203SC..Hα-helixtrans-66.2-38.5-178-167.268.716.200112.2I46 I70 I71 K76I46-Q74 HydrophobicContact CG2-CB 4.17Å; I46-Q74 HydrophobicContact CG2-CG 4.08Å; I70-Q74 WeakPolarHBondContact O-CB 3.41Å; I70-Q74 PolarHBondContact O-N 3.41Å; I71-Q74 PolarHBondContact O-N 2.9Å; Q74-K76 VanDerWaalsContact C-N 3.3Å
75T89.3Confident89.8Confident8 Ų846.1 Ų46.15%0.04924%0.235CC..THydrogen-bonded Turntrans-85.7-1.2178.759.70000113.6D49 V51 I71 A72 N73 S77D49-T75 HydrophobicContact CB-CG2 4.47Å; D49-T75 VanDerWaalsContact OD1-CB 3.31Å; D49-T75 WeakPolarHBondContact OD1-CB 3.34Å; D49-T75 WeakPolarHBondContact OD1-CG2 3.27Å; V51-T75 HydrophobicContact CB-CG2 4.42Å; V51-T75 HydrophobicContact CG2-CG2 3.67Å; I71-T75 HydrophobicContact CG2-CG2 4.42Å; I71-T75 WeakPolarHBondContact O-CB 3.36Å; I71-T75 VanDerWaalsContact O-CG2 3.32Å; I71-T75 WeakPolarHBondContact O-CG2 3.29Å; I71-T75 PolarHBondContact O-N 3.1Å; I71-T75 PolarHBondContact O-OG1 3.31Å; A72-T75 PolarHBondContact O-OG1 2.67Å; N73-T75 PolarHBondContact O-N 3.19Å; T75-S77 PolarHBondContact O-N 3.41Å; T75-S77 PolarHBondContact OG1-OG 2.96Å
76K90.5Very high88.8Confident191 Ų19150.3 Ų50.383%0.8326%0.261SS*.THydrogen-bonded Turntrans51.837.2-174.9-56.8178.9-177.71760112.7A72 N73 Q74A72-K76 PolarHBondContact O-N 3.37Å; N73-K76 PolarHBondContact O-N 3.49Å; Q74-K76 VanDerWaalsContact C-N 3.3Å
77S90.3Very high87.9Confident14 Ų1449.8 Ų49.810%0.09826%0.258CS..  trans-88.7149.3-179.6-59.80000111A72 T75 F79 K108A72-S77 PolarHBondContact O-N 2.88Å; T75-S77 PolarHBondContact O-N 3.41Å; T75-S77 PolarHBondContact OG1-OG 2.96Å; S77-F79 PolarHBondContact O-N 2.96Å; S77-K108 CarbonylContact C-O 3.51Å; S77-K108 VanDerWaalsContact CA-O 3.27Å; S77-K108 WeakPolarHBondContact CA-O 3.33Å; S77-K108 WeakPolarHBondContact CB-O 3.5Å; S77-K108 WeakPolarHBondContact OG-CB 3.45Å
78E92.8Very high87.2Confident75 Ų7551.3 Ų51.335%0.3527%0.274SS..EExtended strand (participates in β ladder)trans-64.7126.8165-176.3179.1-162.900109.2I80 N102 T107 K108 T109 I110E78-I80 HydrophobicContact CG-CG1 4.3Å; E78-N102 PolarHBondContact OE2-ND2 3.45Å; E78-T107 HydrophobicContact CB-CG2 4.18Å; E78-K108 PolarHBondContact N-O 3.07Å; E78-T109 HydrophobicContact CB-CG2 4.43Å; E78-T109 CarbonylContact O-C 3.6Å; E78-T109 WeakPolarHBondContact O-CA 3.35Å; E78-T109 PolarHBondContact OE2-OG1 3.29Å; E78-I110 PolarHBondContact O-N 3.44Å
79F93.7Very high86.7Confident46 Ų4654.5 Ų54.520%0.20229%0.291CS..EExtended strand (participates in β ladder)trans-106114.5-177.6-173.9-103.4000111.1A68 R69 A72 S77 N81 I110 F112A68-F79 HydrophobicContact CB-CE2 4.06Å; A68-F79 HydrophobicContact CB-CZ 4.31Å; R69-F79 HydrophobicContact CG-CD1 4.34Å; R69-F79 HydrophobicContact CG-CE1 3.76Å; R69-F79 HydrophobicContact CG-CE2 4.36Å; R69-F79 HydrophobicContact CG-CZ 3.75Å; A72-F79 HydrophobicContact CB-CB 3.8Å; A72-F79 HydrophobicContact CB-CD2 3.54Å; A72-F79 HydrophobicContact CB-CE2 4.44Å; A72-F79 HydrophobicContact CB-CG 4Å; S77-F79 PolarHBondContact O-N 2.96Å; F79-N81 HydrophobicContact CE1-CB 4.06Å; F79-I110 HydrophobicContact CD2-CB 4.35Å; F79-I110 HydrophobicContact CD2-CG2 3.96Å; F79-I110 HydrophobicContact CE2-CG2 4.18Å; F79-F112 HydrophobicContact CE1-CB 4.34Å; F79-F112 HydrophobicContact CE2-CB 3.51Å; F79-F112 HydrophobicContact CE2-CG 4.23Å; F79-F112 HydrophobicContact CZ-CB 3.39Å; F79-F112 HydrophobicContact CZ-CD1 4.11Å; F79-F112 AromaticContact CZ-CG 3.82Å; F79-F112 HydrophobicContact CZ-CG 3.82Å
80I92.7Very high86.4Confident34 Ų3458.7 Ų58.717%0.17431%0.311CS..EExtended strand (participates in β ladder)trans-111.8123.7177.5-50.2-179000109E78 F82 V95 T109 I110 F112E78-I80 HydrophobicContact CG-CG1 4.3Å; I80-F82 HydrophobicContact CG2-CD2 4.33Å; I80-F82 HydrophobicContact CG2-CE2 3.89Å; I80-V95 HydrophobicContact CD1-CG1 3.56Å; I80-V95 HydrophobicContact CG2-CG1 3.8Å; I80-T109 HydrophobicContact CD1-CG2 3.58Å; I80-T109 HydrophobicContact CG1-CG2 3.99Å; I80-I110 PolarHBondContact N-O 3.42Å; I80-F112 PolarHBondContact O-N 3.12Å
81N91.2Very high86Confident78 Ų7863.7 Ų63.742%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-104.2123.2-178.8-176.115.1000110.7F79 F112F79-N81 HydrophobicContact CE1-CB 4.06Å; N81-F112 WeakPolarHBondContact OD1-CD1 3.4Å
82F86Confident85.7Confident9 Ų963.7 Ų63.74%0.03933%0.334CS..EExtended strand (participates in β ladder)trans-107129.6169.5-75.5-84.6000110.4I80 I92 V95 M96 V111 F112 V113 D114I80-F82 HydrophobicContact CG2-CD2 4.33Å; I80-F82 HydrophobicContact CG2-CE2 3.89Å; F82-I92 HydrophobicContact CD1-CG1 4.21Å; F82-I92 HydrophobicContact CE1-CG1 3.9Å; F82-I92 HydrophobicContact CZ-CG1 4.46Å; F82-V95 HydrophobicContact CE1-CG2 4.36Å; F82-V95 HydrophobicContact CE2-CB 4.3Å; F82-V95 HydrophobicContact CE2-CG1 3.8Å; F82-V95 HydrophobicContact CZ-CB 3.63Å; F82-V95 HydrophobicContact CZ-CG1 3.63Å; F82-V95 HydrophobicContact CZ-CG2 3.75Å; F82-M96 HydrophobicContact CE2-CE 3.91Å; F82-M96 HydrophobicContact CZ-CE 4.23Å; F82-V111 HydrophobicContact CD2-CG1 3.59Å; F82-V111 HydrophobicContact CE2-CG1 3.74Å; F82-F112 PolarHBondContact N-O 3.43Å; F82-V113 HydrophobicContact CB-CG2 4.24Å; F82-D114 PolarHBondContact O-N 2.83Å; F82-D114 VanDerWaalsContact O-N 3.13Å
83S77.8Confident85.4Confident48 Ų4868.9 Ų68.934%0.33636%0.357SS..EExtended strand (participates in β ladder)trans-90.2122.5163171.70000108.8V85 T86 S87S83-V85 PolarHBondContact O-N 3.25Å; S83-V85 VanDerWaalsContact O-N 3.07Å; S83-V85 PolarHBondContact OG-N 3.49Å; S83-T86 PolarHBondContact O-N 2.94Å; S83-S87 WeakPolarHBondContact O-CB 3.48Å; S83-S87 PolarHBondContact O-N 3.31Å; S83-S87 VanDerWaalsContact O-N 3.15Å; S83-S87 PolarHBondContact O-OG 2.92Å
84A71Confident85.2Confident10 Ų1067.7 Ų67.78%0.08335%0.353CS..THydrogen-bonded Turntrans-63.8-13.9179.700000113.7V113 D114 E115 R118 F119A84-V113 HydrophobicContact CB-CG1 4.48Å; A84-D114 VanDerWaalsContact CB-O 3.3Å; A84-D114 WeakPolarHBondContact CB-O 3.29Å; A84-D114 PolarHBondContact N-O 3.49Å; A84-E115 VanDerWaalsContact CB-O 3.31Å; A84-E115 WeakPolarHBondContact CB-O 3.45Å; A84-R118 HydrophobicContact CB-CB 3.88Å; A84-F119 HydrophobicContact CB-CD1 3.67Å; A84-F119 HydrophobicContact CB-CE1 3.67Å; A84-F119 HydrophobicContact CB-CG 4.23Å; A84-F119 HydrophobicContact CB-CZ 4.13Å; A84-F119 WeakPolarHBondContact O-CE1 3.41Å
85V69.5Low85.1Confident119 Ų11964.4 Ų64.472%0.72134%0.34SS*.THydrogen-bonded Turntrans-83.3-34.3179.7-175.90000112.5S83S83-V85 PolarHBondContact O-N 3.25Å; S83-V85 VanDerWaalsContact O-N 3.07Å; S83-V85 PolarHBondContact OG-N 3.49Å
86T71.6Confident85.2Confident109 Ų10964 Ų6467%0.66934%0.338SS*.THydrogen-bonded Turntrans-106.9-18.4-171.958.30000113.6S83S83-T86 PolarHBondContact O-N 2.94Å
87S75.7Confident85.2Confident12 Ų1261.2 Ų61.28%0.08433%0.326CS..  trans-92.1119.6-165.5-47.30000112.6S83 E91 Q123S83-S87 WeakPolarHBondContact O-CB 3.48Å; S83-S87 PolarHBondContact O-N 3.31Å; S83-S87 VanDerWaalsContact O-N 3.15Å; S83-S87 PolarHBondContact O-OG 2.92Å; S87-E91 WeakPolarHBondContact CA-OE2 3.26Å; S87-Q123 PolarHBondContact O-NE2 2.74Å
88G81.7Confident85.1Confident33 Ų3364.8 Ų64.834%0.3434%0.343SS..  trans-82.2159.7176.600000113.3K90 E91 I92G88-K90 PolarHBondContact O-N 3.13Å; G88-K90 VanDerWaalsContact O-N 3.15Å; G88-E91 PolarHBondContact N-OE2 3.3Å; G88-E91 PolarHBondContact O-N 3.05Å; G88-E91 VanDerWaalsContact O-N 3.15Å; G88-I92 WeakPolarHBondContact O-CG1 3.15Å; G88-I92 PolarHBondContact O-N 3.21Å
89I85.4Confident84.9Confident67 Ų6761.2 Ų61.234%0.34433%0.327SS..Hα-helixtrans-59.7-27.8178-162.8166.2000113.5K93 A126I89-K93 WeakPolarHBondContact O-CG 3.47Å; I89-K93 PolarHBondContact O-N 3.09Å; I89-K93 VanDerWaalsContact O-N 3.13Å; I89-A126 HydrophobicContact CG1-CB 4.41Å
90K87Confident84.8Confident171 Ų17162.8 Ų62.874%0.74334%0.335SS*.Hα-helixtrans-68-45.6176.4-72.9-174.6178.6179.70111.6G88 K93 T94G88-K90 PolarHBondContact O-N 3.13Å; G88-K90 VanDerWaalsContact O-N 3.15Å; K90-K93 PolarHBondContact O-N 3.4Å; K90-T94 PolarHBondContact O-N 3.05Å; K90-T94 PolarHBondContact O-OG1 2.87Å; K90-T94 VanDerWaalsContact O-OG1 3.13Å
91E86.5Confident84.6Confident107 Ų10766.4 Ų66.450%0.535%0.351SS..Hα-helixtrans-63.8-44.2179.1-66.7170.8168.100110.9S87 G88 K93 T94 V95S87-E91 WeakPolarHBondContact CA-OE2 3.26Å; G88-E91 PolarHBondContact N-OE2 3.3Å; G88-E91 PolarHBondContact O-N 3.05Å; G88-E91 VanDerWaalsContact O-N 3.15Å; E91-K93 VanDerWaalsContact C-N 3.34Å; E91-K93 PolarHBondContact O-N 2.95Å; E91-T94 PolarHBondContact O-N 2.89Å; E91-V95 WeakPolarHBondContact O-CG2 3.47Å; E91-V95 PolarHBondContact O-N 3.04Å
92I88.2Confident84.5Confident0 Ų064.8 Ų64.80%034%0.342CS..Hα-helixtrans-53.2-53.7173.6-64.3170000109.6F82 G88 T94 V95 M96 F119 A126 F127F82-I92 HydrophobicContact CD1-CG1 4.21Å; F82-I92 HydrophobicContact CE1-CG1 3.9Å; F82-I92 HydrophobicContact CZ-CG1 4.46Å; G88-I92 WeakPolarHBondContact O-CG1 3.15Å; G88-I92 PolarHBondContact O-N 3.21Å; I92-T94 VanDerWaalsContact C-N 3.33Å; I92-T94 PolarHBondContact O-N 2.81Å; I92-V95 PolarHBondContact O-N 3.34Å; I92-M96 HydrophobicContact CG2-CG 4.12Å; I92-M96 VanDerWaalsContact O-CG 3.22Å; I92-M96 WeakPolarHBondContact O-CG 3.42Å; I92-M96 PolarHBondContact O-N 2.89Å; I92-F119 HydrophobicContact CD1-CE1 4.37Å; I92-F119 HydrophobicContact CD1-CE2 3.81Å; I92-F119 HydrophobicContact CD1-CZ 3.68Å; I92-A126 HydrophobicContact CG2-CB 4.14Å; I92-F127 HydrophobicContact CD1-CE2 4.23Å; I92-F127 HydrophobicContact CD1-CZ 3.97Å; I92-F127 HydrophobicContact CG1-CZ 4.12Å; I92-F127 HydrophobicContact CG2-CD1 4.21Å; I92-F127 HydrophobicContact CG2-CE1 3.61Å; I92-F127 HydrophobicContact CG2-CE2 4.21Å; I92-F127 HydrophobicContact CG2-CZ 3.61Å
93K87.8Confident84.5Confident110 Ų11069.4 Ų69.448%0.47836%0.359SS..Hα-helixtrans-60.9-37.6-178.9-76-177.3179.1-173.70113.7I89 K90 E91 K97I89-K93 WeakPolarHBondContact O-CG 3.47Å; I89-K93 PolarHBondContact O-N 3.09Å; I89-K93 VanDerWaalsContact O-N 3.13Å; K90-K93 PolarHBondContact O-N 3.4Å; E91-K93 VanDerWaalsContact C-N 3.34Å; E91-K93 PolarHBondContact O-N 2.95Å; K93-K97 WeakPolarHBondContact O-CG 3.37Å; K93-K97 PolarHBondContact O-N 3.49Å
94T89.8Confident84.9Confident81 Ų8172.1 Ų72.150%0.49737%0.374SS..Hα-helixtrans-64.3-51.9177.6-58.90000110.5K90 E91 I92 M96 K97 D98K90-T94 PolarHBondContact O-N 3.05Å; K90-T94 PolarHBondContact O-OG1 2.87Å; K90-T94 VanDerWaalsContact O-OG1 3.13Å; E91-T94 PolarHBondContact O-N 2.89Å; I92-T94 VanDerWaalsContact C-N 3.33Å; I92-T94 PolarHBondContact O-N 2.81Å; T94-M96 VanDerWaalsContact C-N 3.31Å; T94-M96 PolarHBondContact O-N 3.06Å; T94-K97 WeakPolarHBondContact O-CB 3.19Å; T94-K97 PolarHBondContact O-N 2.95Å; T94-K97 VanDerWaalsContact O-N 3.13Å; T94-D98 PolarHBondContact O-N 3.38Å
95V89.4Confident85.6Confident31 Ų3178.6 Ų78.619%0.18840%0.401CS..Hα-helixtrans-63.3-37.5-179.8172.90000112I80 F82 E91 I92 K97 D98 A99I80-V95 HydrophobicContact CD1-CG1 3.56Å; I80-V95 HydrophobicContact CG2-CG1 3.8Å; F82-V95 HydrophobicContact CE1-CG2 4.36Å; F82-V95 HydrophobicContact CE2-CB 4.3Å; F82-V95 HydrophobicContact CE2-CG1 3.8Å; F82-V95 HydrophobicContact CZ-CB 3.63Å; F82-V95 HydrophobicContact CZ-CG1 3.63Å; F82-V95 HydrophobicContact CZ-CG2 3.75Å; E91-V95 WeakPolarHBondContact O-CG2 3.47Å; E91-V95 PolarHBondContact O-N 3.04Å; I92-V95 PolarHBondContact O-N 3.34Å; V95-K97 VanDerWaalsContact C-N 3.3Å; V95-K97 PolarHBondContact O-N 3.46Å; V95-D98 PolarHBondContact O-N 3.42Å; V95-A99 WeakPolarHBondContact O-CB 3.24Å; V95-A99 PolarHBondContact O-N 2.88Å
96M90.9Very high86.4Confident0 Ų076.1 Ų76.10%040%0.399CS..Hα-helixtrans-63.7-36.7176.7-67.7-48.988.300112.1F82 I92 T94 A99 E100 V111 F127 Y130 I136F82-M96 HydrophobicContact CE2-CE 3.91Å; F82-M96 HydrophobicContact CZ-CE 4.23Å; I92-M96 HydrophobicContact CG2-CG 4.12Å; I92-M96 VanDerWaalsContact O-CG 3.22Å; I92-M96 WeakPolarHBondContact O-CG 3.42Å; I92-M96 PolarHBondContact O-N 2.89Å; T94-M96 VanDerWaalsContact C-N 3.31Å; T94-M96 PolarHBondContact O-N 3.06Å; M96-A99 PolarHBondContact O-N 2.86Å; M96-E100 WeakPolarHBondContact O-CB 3.09Å; M96-E100 PolarHBondContact O-N 3.28Å; M96-V111 HydrophobicContact CE-CG1 4.08Å; M96-V111 HydrophobicContact CE-CG2 3.69Å; M96-V111 HydrophobicContact SD-CG2 4.42Å; M96-F127 HydrophobicContact CE-CD1 4.36Å; M96-F127 HydrophobicContact CE-CE1 4.1Å; M96-F127 HydrophobicContact CG-CD1 4.49Å; M96-F127 HydrophobicContact SD-CD1 3.66Å; M96-F127 HydrophobicContact SD-CE1 4Å; M96-Y130 HydrophobicContact CB-CD1 3.84Å; M96-Y130 HydrophobicContact CB-CD2 3.59Å; M96-Y130 HydrophobicContact CB-CE1 3.68Å; M96-Y130 HydrophobicContact CB-CE2 3.41Å; M96-Y130 VanDerWaalsContact CB-CE2 3.41Å; M96-Y130 HydrophobicContact CB-CG 3.79Å; M96-Y130 VanDerWaalsContact CB-CZ 3.44Å; M96-Y130 HydrophobicContact CG-CD2 3.64Å; M96-Y130 HydrophobicContact CG-CE2 3.75Å; M96-Y130 HydrophobicContact CG-CG 4.11Å; M96-Y130 HydrophobicContact SD-CD2 4.3Å; M96-Y130 HydrophobicContact SD-CG 4.4Å; M96-I136 HydrophobicContact SD-CD1 3.64Å; M96-I136 HydrophobicContact SD-CG1 4.42Å; M96-I136 HydrophobicContact SD-CG2 4.09Å
97K89.4Confident87.2Confident132 Ų13273.7 Ų73.757%0.57438%0.384SS*.Hα-helixtrans-66.9-40.2173.8-73.5179.3176.7-169.90111.9K93 T94 V95 A99 E100 H101K93-K97 WeakPolarHBondContact O-CG 3.37Å; K93-K97 PolarHBondContact O-N 3.49Å; T94-K97 WeakPolarHBondContact O-CB 3.19Å; T94-K97 PolarHBondContact O-N 2.95Å; T94-K97 VanDerWaalsContact O-N 3.13Å; V95-K97 VanDerWaalsContact C-N 3.3Å; V95-K97 PolarHBondContact O-N 3.46Å; K97-A99 VanDerWaalsContact C-N 3.34Å; K97-E100 PolarHBondContact O-N 3.25Å; K97-H101 PolarHBondContact O-N 2.93Å
98D89Confident87.9Confident88 Ų8877.3 Ų77.347%0.47140%0.398SS..Hα-helixtrans-64.2-41176.1-64-20.9000110.8T94 V95 H101 N102T94-D98 PolarHBondContact O-N 3.38Å; V95-D98 PolarHBondContact O-N 3.42Å; D98-H101 WeakPolarHBondContact O-CB 3.16Å; D98-H101 PolarHBondContact O-N 2.97Å; D98-N102 WeakPolarHBondContact O-CB 3.38Å; D98-N102 VanDerWaalsContact O-CG 3.29Å; D98-N102 PolarHBondContact O-N 3.06Å
99A89.5Confident88.5Confident0 Ų075.9 Ų75.90%038%0.383CS..Hα-helixtrans-63.7-42.6175.200000112.6V95 M96 K97 H101 N102 R103 T109 I136V95-A99 WeakPolarHBondContact O-CB 3.24Å; V95-A99 PolarHBondContact O-N 2.88Å; M96-A99 PolarHBondContact O-N 2.86Å; K97-A99 VanDerWaalsContact C-N 3.34Å; A99-H101 VanDerWaalsContact C-N 3.31Å; A99-H101 PolarHBondContact O-N 3.47Å; A99-N102 PolarHBondContact O-N 2.98Å; A99-R103 PolarHBondContact O-N 2.89Å; A99-T109 HydrophobicContact CB-CG2 3.84Å; A99-I136 HydrophobicContact CB-CG2 3.56Å
100E89.7Confident89Confident80 Ų8072.7 Ų72.737%0.37437%0.366SS..Hα-helixtrans-61-40.5173.5-178.5170.1-118.600111.9M96 K97 R103 Y130 N133M96-E100 WeakPolarHBondContact O-CB 3.09Å; M96-E100 PolarHBondContact O-N 3.28Å; K97-E100 PolarHBondContact O-N 3.25Å; E100-R103 PolarHBondContact O-N 3.37Å; E100-Y130 HydrophobicContact CB-CD1 4.35Å; E100-Y130 HydrophobicContact CB-CE1 4.4Å; E100-N133 PolarHBondContact OE1-ND2 3.26Å
101H90.2Very high89.4Confident110 Ų11064.5 Ų64.551%0.50933%0.331SS..Hα-helixtrans-65-47173.9-172.660.2000111.9K97 D98 A99 R103 T104 F105K97-H101 PolarHBondContact O-N 2.93Å; D98-H101 WeakPolarHBondContact O-CB 3.16Å; D98-H101 PolarHBondContact O-N 2.97Å; A99-H101 VanDerWaalsContact C-N 3.31Å; A99-H101 PolarHBondContact O-N 3.47Å; H101-R103 PolarHBondContact O-N 3.4Å; H101-T104 WeakPolarHBondContact O-CB 3.49Å; H101-T104 PolarHBondContact O-N 3.37Å; H101-T104 PolarHBondContact O-OG1 2.81Å; H101-F105 AromaticContact CD2-CE2 3.81Å; H101-F105 AromaticContact CE1-CE2 3.64Å; H101-F105 AromaticContact NE2-CE2 3.43Å; H101-F105 WeakPolarHBondContact NE2-CE2 3.33Å; H101-F105 AromaticContact NE2-CZ 3.93Å; H101-F105 WeakPolarHBondContact O-CD2 3.46Å
102N87.7Confident89.9Confident43 Ų4359.4 Ų59.423%0.2331%0.307CS..Hα-helixtrans-59.3-34.2178.8-75.5-9.7000112.4E78 D98 A99 T104 F105 T107E78-N102 PolarHBondContact OE2-ND2 3.45Å; D98-N102 WeakPolarHBondContact O-CB 3.38Å; D98-N102 VanDerWaalsContact O-CG 3.29Å; D98-N102 PolarHBondContact O-N 3.06Å; A99-N102 PolarHBondContact O-N 2.98Å; N102-T104 VanDerWaalsContact C-N 3.26Å; N102-T104 PolarHBondContact O-N 2.99Å; N102-F105 WeakPolarHBondContact O-CB 3.42Å; N102-F105 PolarHBondContact O-N 3.46Å; N102-T107 PolarHBondContact O-N 3.38Å
103R86.2Confident90.1Very high106 Ų10659.4 Ų59.440%0.431%0.307SS..Hα-helixtrans-63.5-30.2174.9-176.5166.5175.8-14512.4113.5A99 E100 H101 F105 G106 N133 G134 S135A99-R103 PolarHBondContact O-N 2.89Å; E100-R103 PolarHBondContact O-N 3.37Å; H101-R103 PolarHBondContact O-N 3.4Å; R103-F105 PolarHBondContact O-N 3.47Å; R103-G106 PolarHBondContact O-N 3.31Å; R103-N133 VanDerWaalsContact NH1-C 3.27Å; R103-N133 PolarHBondContact NH1-O 2.92Å; R103-N133 PolarHBondContact NH2-O 2.89Å; R103-G134 WeakPolarHBondContact CD-O 3.35Å; R103-G134 PolarHBondContact NE-O 3.1Å; R103-G134 VanDerWaalsContact NE-O 3.13Å; R103-G134 PolarHBondContact NH1-O 3.07Å; R103-G134 PolarHBondContact NH2-O 2.89Å; R103-S135 VanDerWaalsContact CD-CA 3.47Å; R103-S135 PolarHBondContact NH1-OG 2.84Å
104T86.1Confident90.3Very high105 Ų10556 Ų5664%0.64429%0.294SS*.Hα-helixtrans-63.8-21.2174.269.90000112.6H101 N102H101-T104 WeakPolarHBondContact O-CB 3.49Å; H101-T104 PolarHBondContact O-N 3.37Å; H101-T104 PolarHBondContact O-OG1 2.81Å; N102-T104 VanDerWaalsContact C-N 3.26Å; N102-T104 PolarHBondContact O-N 2.99Å
105F87.1Confident90.4Very high147 Ų14755 Ų5565%0.64528%0.283SS*.THydrogen-bonded Turntrans-93.86.2172.3-58.2-78.9000113.6H101 N102 R103 T107H101-F105 AromaticContact CD2-CE2 3.81Å; H101-F105 AromaticContact CE1-CE2 3.64Å; H101-F105 AromaticContact NE2-CE2 3.43Å; H101-F105 WeakPolarHBondContact NE2-CE2 3.33Å; H101-F105 AromaticContact NE2-CZ 3.93Å; H101-F105 WeakPolarHBondContact O-CD2 3.46Å; N102-F105 WeakPolarHBondContact O-CB 3.42Å; N102-F105 PolarHBondContact O-N 3.46Å; R103-F105 PolarHBondContact O-N 3.47Å; F105-T107 VanDerWaalsContact C-N 3.35Å
106G86.3Confident90.5Very high66 Ų6653.5 Ų53.568%0.6827%0.274SS*.THydrogen-bonded Turntrans82.17.6179.500000114.8R103R103-G106 PolarHBondContact O-N 3.31Å
107T88.1Confident90.3Very high58 Ų5854.3 Ų54.336%0.35628%0.278SS..  trans-79.6124.5176.8-550000110E78 N102 F105E78-T107 HydrophobicContact CB-CG2 4.18Å; N102-T107 PolarHBondContact O-N 3.38Å; F105-T107 VanDerWaalsContact C-N 3.35Å
108K90.5Very high90.4Very high88 Ų8854.8 Ų54.838%0.38328%0.276SS..  trans-78.7134169.8-68.4177.8178.3177.70109.2D49 S77 E78D49-K108 IonicContact OD1-NZ 2.74Å; D49-K108 PolarHBondContact OD1-NZ 3.42Å; D49-K108 IonicContact OD2-NZ 3.31Å; D49-K108 PolarHBondContact OD2-NZ 3.09Å; S77-K108 CarbonylContact C-O 3.51Å; S77-K108 VanDerWaalsContact CA-O 3.27Å; S77-K108 WeakPolarHBondContact CA-O 3.33Å; S77-K108 WeakPolarHBondContact CB-O 3.5Å; S77-K108 WeakPolarHBondContact OG-CB 3.45Å; E78-K108 PolarHBondContact N-O 3.07Å
109T94.7Very high90.4Very high3 Ų350.8 Ų50.82%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-117.7122.3177.2-55.40000110.2E78 I80 A99 V111 I136 I137E78-T109 HydrophobicContact CB-CG2 4.43Å; E78-T109 CarbonylContact O-C 3.6Å; E78-T109 WeakPolarHBondContact O-CA 3.35Å; E78-T109 PolarHBondContact OE2-OG1 3.29Å; I80-T109 HydrophobicContact CD1-CG2 3.58Å; I80-T109 HydrophobicContact CG1-CG2 3.99Å; A99-T109 HydrophobicContact CB-CG2 3.84Å; T109-V111 HydrophobicContact CG2-CG2 4.34Å; T109-I136 WeakPolarHBondContact O-CA 3.43Å; T109-I137 PolarHBondContact O-N 3.44Å
110I95.4Very high90.4Very high0 Ų055.1 Ų55.10%028%0.278CS..EExtended strand (participates in β ladder)trans-97.7123.8170.8-67.6-178.8000108.6I71 A72 E78 F79 I80 I137 I139I71-I110 HydrophobicContact CG2-CD1 3.84Å; A72-I110 HydrophobicContact CB-CD1 4.01Å; E78-I110 PolarHBondContact O-N 3.44Å; F79-I110 HydrophobicContact CD2-CB 4.35Å; F79-I110 HydrophobicContact CD2-CG2 3.96Å; F79-I110 HydrophobicContact CE2-CG2 4.18Å; I80-I110 PolarHBondContact N-O 3.42Å; I110-I137 WeakPolarHBondContact CA-O 3.46Å; I110-I137 HydrophobicContact CG1-CB 4.07Å; I110-I137 HydrophobicContact CG1-CD1 4.48Å; I110-I137 HydrophobicContact CG1-CG2 4.31Å; I110-I139 HydrophobicContact CD1-CD1 4.47Å; I110-I139 HydrophobicContact CG2-CD1 3.64Å; I110-I139 HydrophobicContact CG2-CG1 3.93Å
111V95.4Very high90.4Very high0 Ų059 Ų590%029%0.294CS..EExtended strand (participates in β ladder)trans-104.4109.9175.5177.90000107.8F82 M96 T109 V113 F127 I136 I137 L138 I139F82-V111 HydrophobicContact CD2-CG1 3.59Å; F82-V111 HydrophobicContact CE2-CG1 3.74Å; M96-V111 HydrophobicContact CE-CG1 4.08Å; M96-V111 HydrophobicContact CE-CG2 3.69Å; M96-V111 HydrophobicContact SD-CG2 4.42Å; T109-V111 HydrophobicContact CG2-CG2 4.34Å; V111-V113 HydrophobicContact CG1-CG2 4.19Å; V111-F127 HydrophobicContact CG1-CE1 3.99Å; V111-I136 HydrophobicContact CB-CD1 4.11Å; V111-I136 HydrophobicContact CG2-CB 3.85Å; V111-I136 HydrophobicContact CG2-CD1 3.97Å; V111-I136 HydrophobicContact CG2-CG2 3.63Å; V111-I137 PolarHBondContact N-O 3.13Å; V111-L138 HydrophobicContact CB-CD1 4.36Å; V111-L138 HydrophobicContact CG1-CD1 4.12Å; V111-L138 WeakPolarHBondContact O-CA 3.44Å; V111-I139 PolarHBondContact O-N 3.36Å
112F95.7Very high90.4Very high0 Ų056.5 Ų56.50%029%0.292CS..EExtended strand (participates in β ladder)trans-93.8127.6174.2-179.5-106.8000110.2T65 A68 F79 I80 N81 F82 D114 I139 A141T65-F112 HydrophobicContact CG2-CD1 4.48Å; T65-F112 HydrophobicContact CG2-CE1 3.75Å; T65-F112 HydrophobicContact CG2-CZ 4.14Å; A68-F112 HydrophobicContact CB-CD2 3.32Å; A68-F112 HydrophobicContact CB-CE2 3.64Å; A68-F112 HydrophobicContact CB-CG 4.01Å; F79-F112 HydrophobicContact CE1-CB 4.34Å; F79-F112 HydrophobicContact CE2-CB 3.51Å; F79-F112 HydrophobicContact CE2-CG 4.23Å; F79-F112 HydrophobicContact CZ-CB 3.39Å; F79-F112 HydrophobicContact CZ-CD1 4.11Å; F79-F112 AromaticContact CZ-CG 3.82Å; F79-F112 HydrophobicContact CZ-CG 3.82Å; I80-F112 PolarHBondContact O-N 3.12Å; N81-F112 WeakPolarHBondContact OD1-CD1 3.4Å; F82-F112 PolarHBondContact N-O 3.43Å; F112-D114 HydrophobicContact CD1-CB 4.49Å; F112-D114 HydrophobicContact CE1-CB 3.65Å; F112-D114 HydrophobicContact CZ-CB 4.14Å; F112-I139 CarbonylContact C-O 3.43Å; F112-I139 VanDerWaalsContact CA-O 3.29Å; F112-I139 WeakPolarHBondContact CA-O 3.41Å; F112-I139 HydrophobicContact CD2-CB 4.05Å; F112-I139 HydrophobicContact CD2-CG2 3.79Å; F112-I139 VanDerWaalsContact CD2-O 3.27Å; F112-I139 WeakPolarHBondContact CD2-O 3.22Å; F112-I139 HydrophobicContact CE2-CG2 4.17Å; F112-A141 HydrophobicContact CE2-CB 3.74Å; F112-A141 HydrophobicContact CZ-CB 3.65Å
113V94.2Very high90.5Very high0 Ų055.9 Ų55.90%029%0.288CS..EExtended strand (participates in β ladder)trans-118.9105.2175.8-175.10000108.2F82 A84 V111 I116 F119 F127 L138 I139 G140 A141F82-V113 HydrophobicContact CB-CG2 4.24Å; A84-V113 HydrophobicContact CB-CG1 4.48Å; V111-V113 HydrophobicContact CG1-CG2 4.19Å; V113-I116 HydrophobicContact CB-CB 4.33Å; V113-I116 HydrophobicContact CB-CD1 4.33Å; V113-I116 HydrophobicContact CB-CG1 4.33Å; V113-I116 HydrophobicContact CG1-CB 3.92Å; V113-I116 HydrophobicContact CG1-CD1 4.44Å; V113-I116 HydrophobicContact CG1-CG1 3.93Å; V113-F119 HydrophobicContact CG1-CD2 4.03Å; V113-F119 HydrophobicContact CG1-CE2 3.62Å; V113-F119 HydrophobicContact CG1-CZ 4.27Å; V113-F127 HydrophobicContact CG2-CE1 4.33Å; V113-F127 HydrophobicContact CG2-CE2 4.43Å; V113-F127 HydrophobicContact CG2-CZ 3.94Å; V113-L138 HydrophobicContact CG2-CD1 3.67Å; V113-I139 PolarHBondContact N-O 2.9Å; V113-G140 WeakPolarHBondContact O-CA 3.46Å; V113-A141 PolarHBondContact O-N 3.32Å
114D91.9Very high90.8Very high39 Ų3951 Ų5121%0.20927%0.269CS..EExtended strand (participates in β ladder)trans-76.8142.3174.5-144.11.1000110.1F82 A84 F112 I116F82-D114 PolarHBondContact O-N 2.83Å; F82-D114 VanDerWaalsContact O-N 3.13Å; A84-D114 VanDerWaalsContact CB-O 3.3Å; A84-D114 WeakPolarHBondContact CB-O 3.29Å; A84-D114 PolarHBondContact N-O 3.49Å; F112-D114 HydrophobicContact CD1-CB 4.49Å; F112-D114 HydrophobicContact CE1-CB 3.65Å; F112-D114 HydrophobicContact CZ-CB 4.14Å; D114-I116 VanDerWaalsContact C-N 3.33Å; D114-I116 PolarHBondContact O-N 3.1Å
115E90.4Very high91.1Very high58 Ų5848.9 Ų48.927%0.27125%0.254SS..THydrogen-bonded Turntrans53.745.8-178.5-57.2-65.6139.700112.8A84 H117 R118 A141A84-E115 VanDerWaalsContact CB-O 3.31Å; A84-E115 WeakPolarHBondContact CB-O 3.45Å; E115-H117 PolarHBondContact O-N 3.45Å; E115-H117 IonicContact OE2-CE1 2.6Å; E115-H117 PolarHBondContact OE2-CE1 3.06Å; E115-H117 IonicContact OE2-ND1 2.74Å; E115-H117 IonicContact OE2-NE2 3.87Å; E115-H117 PolarHBondContact OE2-NE2 3.1Å; E115-R118 HydrophobicContact CB-CG 4Å; E115-R118 VanDerWaalsContact O-CB 3.31Å; E115-R118 WeakPolarHBondContact O-CB 3.35Å; E115-R118 WeakPolarHBondContact O-CG 3.48Å; E115-R118 PolarHBondContact O-N 3.38Å; E115-A141 CarbonylContact C-O 3.6Å; E115-A141 WeakPolarHBondContact CA-O 3.46Å; E115-A141 PolarHBondContact N-O 2.93Å
116I91.8Very high91.4Very high0 Ų042.6 Ų42.60%023%0.229CC..G310 helixtrans-56.3-26.4-172.2-168.8169.4000113.9I55 V113 D114 R118 F119 L138 A141 I150 L154I55-I116 HydrophobicContact CD1-CD1 4.24Å; V113-I116 HydrophobicContact CB-CB 4.33Å; V113-I116 HydrophobicContact CB-CD1 4.33Å; V113-I116 HydrophobicContact CB-CG1 4.33Å; V113-I116 HydrophobicContact CG1-CB 3.92Å; V113-I116 HydrophobicContact CG1-CD1 4.44Å; V113-I116 HydrophobicContact CG1-CG1 3.93Å; D114-I116 VanDerWaalsContact C-N 3.33Å; D114-I116 PolarHBondContact O-N 3.1Å; I116-R118 PolarHBondContact O-N 3.07Å; I116-F119 WeakPolarHBondContact O-CB 3.33Å; I116-F119 PolarHBondContact O-N 3.04Å; I116-F119 VanDerWaalsContact O-N 3.11Å; I116-L138 HydrophobicContact CD1-CD2 4.31Å; I116-A141 PolarHBondContact N-O 3.18Å; I116-I150 HydrophobicContact CG2-CD1 3.62Å; I116-I150 HydrophobicContact CG2-CG1 4.21Å; I116-L154 HydrophobicContact CD1-CD2 4.13Å
117H88.1Confident91.7Very high18 Ų1839.4 Ų39.48%0.08320%0.197CC..G310 helixtrans-62.8-17.9175.165-102.3000113.3E115 F119 T142 E144 E149E115-H117 PolarHBondContact O-N 3.45Å; E115-H117 IonicContact OE2-CE1 2.6Å; E115-H117 PolarHBondContact OE2-CE1 3.06Å; E115-H117 IonicContact OE2-ND1 2.74Å; E115-H117 IonicContact OE2-NE2 3.87Å; E115-H117 PolarHBondContact OE2-NE2 3.1Å; H117-F119 VanDerWaalsContact C-N 3.28Å; H117-F119 PolarHBondContact O-N 2.88Å; H117-T142 PolarHBondContact ND1-OG1 3.21Å; H117-E144 HydrophobicContact CB-CB 4.29Å; H117-E144 HydrophobicContact CB-CG 4.34Å; H117-E149 HydrophobicContact CB-CB 3.56Å; H117-E149 HydrophobicContact CB-CG 4.08Å
118R89.6Confident91.9Very high141 Ų14137.7 Ų37.753%0.53219%0.185SC..G310 helixtrans-75.5-17175.9-61.8-67.9176.7160.8-0.1113A84 E115 I116A84-R118 HydrophobicContact CB-CB 3.88Å; E115-R118 HydrophobicContact CB-CG 4Å; E115-R118 VanDerWaalsContact O-CB 3.31Å; E115-R118 WeakPolarHBondContact O-CB 3.35Å; E115-R118 WeakPolarHBondContact O-CG 3.48Å; E115-R118 PolarHBondContact O-N 3.38Å; I116-R118 PolarHBondContact O-N 3.07Å
119F89.8Confident92Very high5 Ų536.8 Ų36.82%0.02219%0.188CC..SBendtrans-75.3134.3173.9-81-12000111.6A84 I92 V113 I116 H117 Q123 Q124 F127A84-F119 HydrophobicContact CB-CD1 3.67Å; A84-F119 HydrophobicContact CB-CE1 3.67Å; A84-F119 HydrophobicContact CB-CG 4.23Å; A84-F119 HydrophobicContact CB-CZ 4.13Å; A84-F119 WeakPolarHBondContact O-CE1 3.41Å; I92-F119 HydrophobicContact CD1-CE1 4.37Å; I92-F119 HydrophobicContact CD1-CE2 3.81Å; I92-F119 HydrophobicContact CD1-CZ 3.68Å; V113-F119 HydrophobicContact CG1-CD2 4.03Å; V113-F119 HydrophobicContact CG1-CE2 3.62Å; V113-F119 HydrophobicContact CG1-CZ 4.27Å; I116-F119 WeakPolarHBondContact O-CB 3.33Å; I116-F119 PolarHBondContact O-N 3.04Å; I116-F119 VanDerWaalsContact O-N 3.11Å; H117-F119 VanDerWaalsContact C-N 3.28Å; H117-F119 PolarHBondContact O-N 2.88Å; F119-Q123 HydrophobicContact CB-CB 3.8Å; F119-Q123 HydrophobicContact CD1-CB 4.17Å; F119-Q123 HydrophobicContact CD1-CG 4.48Å; F119-Q123 HydrophobicContact CD2-CB 4.13Å; F119-Q123 HydrophobicContact CG-CB 3.8Å; F119-Q124 HydrophobicContact CB-CG 3.84Å; F119-Q124 PolarHBondContact O-NE2 3.33Å; F119-F127 AromaticContact CD2-CE2 3.89Å; F119-F127 HydrophobicContact CD2-CE2 3.89Å; F119-F127 AromaticContact CE2-CE2 3.65Å; F119-F127 HydrophobicContact CE2-CE2 3.65Å; F119-F127 AromaticContact CE2-CZ 3.83Å; F119-F127 HydrophobicContact CE2-CZ 3.83Å
120N89.5Confident92Very high90 Ų9038.1 Ų38.148%0.48119%0.193SC..  trans-67.4164.6169.768.350.2000110.9A122 Q123 Q124N120-A122 VanDerWaalsContact C-N 3.27Å; N120-A122 PolarHBondContact O-N 2.99Å; N120-A122 WeakPolarHBondContact OD1-CB 3.47Å; N120-A122 PolarHBondContact OD1-N 3.17Å; N120-A122 VanDerWaalsContact OD1-N 3.1Å; N120-Q123 VanDerWaalsContact CG-OE1 3.27Å; N120-Q123 PolarHBondContact ND2-OE1 2.91Å; N120-Q123 VanDerWaalsContact ND2-OE1 3.09Å; N120-Q123 WeakPolarHBondContact O-CB 3.25Å; N120-Q123 PolarHBondContact O-N 3.39Å; N120-Q123 PolarHBondContact OD1-N 3.09Å; N120-Q124 PolarHBondContact O-N 2.89Å; N120-Q124 VanDerWaalsContact O-N 3.07Å
121K89.7Confident91.9Very high163 Ų16338.9 Ų38.971%0.70920%0.198SC*.Hα-helixtrans-52.4-42-177.8-66.7-174.8177.2-1790113.2Q123 Q124 D125K121-Q123 PolarHBondContact O-N 2.89Å; K121-Q124 PolarHBondContact O-N 3.18Å; K121-D125 WeakPolarHBondContact O-CB 3.32Å; K121-D125 PolarHBondContact O-N 3.48Å
122A89.5Confident91.7Very high57 Ų5744.1 Ų44.147%0.47122%0.222SC..Hα-helixtrans-68.2-33-179.500000113.5N120 A126N120-A122 VanDerWaalsContact C-N 3.27Å; N120-A122 PolarHBondContact O-N 2.99Å; N120-A122 WeakPolarHBondContact OD1-CB 3.47Å; N120-A122 PolarHBondContact OD1-N 3.17Å; N120-A122 VanDerWaalsContact OD1-N 3.1Å; A122-A126 PolarHBondContact O-N 3.48Å
123Q91.6Very high91.5Very high29 Ų2947.2 Ų47.214%0.13624%0.239CC..Hα-helixtrans-69.5-40.6172.9-73.8170.5-59.400111.2S87 F119 N120 K121 A126 F127S87-Q123 PolarHBondContact O-NE2 2.74Å; F119-Q123 HydrophobicContact CB-CB 3.8Å; F119-Q123 HydrophobicContact CD1-CB 4.17Å; F119-Q123 HydrophobicContact CD1-CG 4.48Å; F119-Q123 HydrophobicContact CD2-CB 4.13Å; F119-Q123 HydrophobicContact CG-CB 3.8Å; N120-Q123 VanDerWaalsContact CG-OE1 3.27Å; N120-Q123 PolarHBondContact ND2-OE1 2.91Å; N120-Q123 VanDerWaalsContact ND2-OE1 3.09Å; N120-Q123 WeakPolarHBondContact O-CB 3.25Å; N120-Q123 PolarHBondContact O-N 3.39Å; N120-Q123 PolarHBondContact OD1-N 3.09Å; K121-Q123 PolarHBondContact O-N 2.89Å; Q123-A126 WeakPolarHBondContact O-CB 3.08Å; Q123-A126 PolarHBondContact O-N 3.13Å; Q123-F127 WeakPolarHBondContact O-CD2 3.49Å; Q123-F127 WeakPolarHBondContact O-CE2 3.46Å
124Q92.7Very high91.3Very high4 Ų448.8 Ų48.82%0.01926%0.255CS..Hα-helixtrans-64.7-42.7175.7-61.8-17724.300111.5F119 N120 K121 A126 F127 E149 L154F119-Q124 HydrophobicContact CB-CG 3.84Å; F119-Q124 PolarHBondContact O-NE2 3.33Å; N120-Q124 PolarHBondContact O-N 2.89Å; N120-Q124 VanDerWaalsContact O-N 3.07Å; K121-Q124 PolarHBondContact O-N 3.18Å; Q124-A126 PolarHBondContact O-N 2.99Å; Q124-F127 WeakPolarHBondContact O-CD2 3.42Å; Q124-F127 PolarHBondContact O-N 3.27Å; Q124-E149 PolarHBondContact NE2-O 3.09Å; Q124-L154 HydrophobicContact CB-CD2 4.4Å
125D92Very high91.2Very high61 Ų6147.2 Ų47.233%0.32625%0.247SC..Hα-helixtrans-64.8-24.2179.4-68.8-17.4000113K121 F127 L128 N151K121-D125 WeakPolarHBondContact O-CB 3.32Å; K121-D125 PolarHBondContact O-N 3.48Å; D125-F127 PolarHBondContact O-N 3.34Å; D125-L128 HydrophobicContact CB-CD1 4.17Å; D125-L128 WeakPolarHBondContact O-CB 3.46Å; D125-L128 PolarHBondContact O-N 3.3Å; D125-L128 VanDerWaalsContact O-N 3.12Å; D125-L128 WeakPolarHBondContact OD1-CD1 3.47Å; D125-N151 PolarHBondContact OD1-ND2 2.83Å
126A92.2Very high91.4Very high14 Ų1444.6 Ų44.612%0.11624%0.235CC..THydrogen-bonded Turntrans-62.7-22.2177.400000113.3I89 I92 A122 Q123 Q124 Y130I89-A126 HydrophobicContact CG1-CB 4.41Å; I92-A126 HydrophobicContact CG2-CB 4.14Å; A122-A126 PolarHBondContact O-N 3.48Å; Q123-A126 WeakPolarHBondContact O-CB 3.08Å; Q123-A126 PolarHBondContact O-N 3.13Å; Q124-A126 PolarHBondContact O-N 2.99Å; A126-Y130 WeakPolarHBondContact O-CD2 3.3Å; A126-Y130 WeakPolarHBondContact O-CE2 3.35Å
127F93.5Very high91.6Very high0 Ų045.8 Ų45.80%024%0.241CC..THydrogen-bonded Turntrans-83.9-24.3176.4-61.9-75.9000113.3I92 M96 V111 V113 F119 Q123 Q124 D125 Y130 V131 I136 L138I92-F127 HydrophobicContact CD1-CE2 4.23Å; I92-F127 HydrophobicContact CD1-CZ 3.97Å; I92-F127 HydrophobicContact CG1-CZ 4.12Å; I92-F127 HydrophobicContact CG2-CD1 4.21Å; I92-F127 HydrophobicContact CG2-CE1 3.61Å; I92-F127 HydrophobicContact CG2-CE2 4.21Å; I92-F127 HydrophobicContact CG2-CZ 3.61Å; M96-F127 HydrophobicContact CE-CD1 4.36Å; M96-F127 HydrophobicContact CE-CE1 4.1Å; M96-F127 HydrophobicContact CG-CD1 4.49Å; M96-F127 HydrophobicContact SD-CD1 3.66Å; M96-F127 HydrophobicContact SD-CE1 4Å; V111-F127 HydrophobicContact CG1-CE1 3.99Å; V113-F127 HydrophobicContact CG2-CE1 4.33Å; V113-F127 HydrophobicContact CG2-CE2 4.43Å; V113-F127 HydrophobicContact CG2-CZ 3.94Å; F119-F127 AromaticContact CD2-CE2 3.89Å; F119-F127 HydrophobicContact CD2-CE2 3.89Å; F119-F127 AromaticContact CE2-CE2 3.65Å; F119-F127 HydrophobicContact CE2-CE2 3.65Å; F119-F127 AromaticContact CE2-CZ 3.83Å; F119-F127 HydrophobicContact CE2-CZ 3.83Å; Q123-F127 WeakPolarHBondContact O-CD2 3.49Å; Q123-F127 WeakPolarHBondContact O-CE2 3.46Å; Q124-F127 WeakPolarHBondContact O-CD2 3.42Å; Q124-F127 PolarHBondContact O-N 3.27Å; D125-F127 PolarHBondContact O-N 3.34Å; F127-Y130 PolarHBondContact O-N 2.97Å; F127-Y130 VanDerWaalsContact O-N 3.14Å; F127-V131 PolarHBondContact O-N 3.5Å; F127-I136 HydrophobicContact CD1-CD1 4.08Å; F127-L138 HydrophobicContact CB-CD2 4.44Å; F127-L138 HydrophobicContact CD1-CD1 4.24Å; F127-L138 HydrophobicContact CG-CD1 4.42Å
128L92.9Very high92Very high22 Ų2245 Ų4512%0.11524%0.237CC..Hα-helixtrans-54.5-49.6-169.4-72.4170.7000113.9D125 Y130 V131 E132 A153 L154D125-L128 HydrophobicContact CB-CD1 4.17Å; D125-L128 WeakPolarHBondContact O-CB 3.46Å; D125-L128 PolarHBondContact O-N 3.3Å; D125-L128 VanDerWaalsContact O-N 3.12Å; D125-L128 WeakPolarHBondContact OD1-CD1 3.47Å; L128-Y130 PolarHBondContact O-N 3.26Å; L128-V131 PolarHBondContact O-N 3.39Å; L128-E132 WeakPolarHBondContact O-CB 3.45Å; L128-E132 VanDerWaalsContact O-CG 3.31Å; L128-E132 WeakPolarHBondContact O-CG 3.34Å; L128-E132 PolarHBondContact O-N 3.06Å; L128-A153 HydrophobicContact CD1-CB 3.89Å; L128-A153 HydrophobicContact CD2-CB 4.09Å; L128-L154 HydrophobicContact CD2-CB 4.05Å; L128-L154 HydrophobicContact CD2-CD1 3.77Å; L128-L154 HydrophobicContact CG-CD1 4.48Å
129P92.6Very high92.3Very high69 Ų6938.2 Ų38.245%0.44821%0.212SC..Hα-helixtrans-59.8-34.9-177.5-23.534.9000112.9N133P129-N133 PolarHBondContact O-N 2.88Å; P129-N133 PolarHBondContact O-ND2 3.1Å; P129-N133 PolarHBondContact O-OD1 3Å
130Y93.4Very high92.6Very high31 Ų3138 Ų3812%0.12221%0.211CC..Hα-helixtrans-83.1-25.8-176.3-53.2-84.2000112.8M96 E100 A126 F127 L128 N133 G134 S135 I136M96-Y130 HydrophobicContact CB-CD1 3.84Å; M96-Y130 HydrophobicContact CB-CD2 3.59Å; M96-Y130 HydrophobicContact CB-CE1 3.68Å; M96-Y130 HydrophobicContact CB-CE2 3.41Å; M96-Y130 VanDerWaalsContact CB-CE2 3.41Å; M96-Y130 HydrophobicContact CB-CG 3.79Å; M96-Y130 VanDerWaalsContact CB-CZ 3.44Å; M96-Y130 HydrophobicContact CG-CD2 3.64Å; M96-Y130 HydrophobicContact CG-CE2 3.75Å; M96-Y130 HydrophobicContact CG-CG 4.11Å; M96-Y130 HydrophobicContact SD-CD2 4.3Å; M96-Y130 HydrophobicContact SD-CG 4.4Å; E100-Y130 HydrophobicContact CB-CD1 4.35Å; E100-Y130 HydrophobicContact CB-CE1 4.4Å; A126-Y130 WeakPolarHBondContact O-CD2 3.3Å; A126-Y130 WeakPolarHBondContact O-CE2 3.35Å; F127-Y130 PolarHBondContact O-N 2.97Å; F127-Y130 VanDerWaalsContact O-N 3.14Å; L128-Y130 PolarHBondContact O-N 3.26Å; Y130-N133 VanDerWaalsContact CA-OD1 3.26Å; Y130-N133 WeakPolarHBondContact CA-OD1 3.41Å; Y130-N133 PolarHBondContact O-OD1 2.94Å; Y130-G134 CarbonylContact O-C 3.53Å; Y130-G134 PolarHBondContact O-N 2.65Å; Y130-S135 PolarHBondContact O-N 3.25Å; Y130-I136 PolarHBondContact O-N 3.35Å; Y130-I136 VanDerWaalsContact O-N 3.1Å
131V93.5Very high92.8Very high15 Ų1533.7 Ų33.79%0.09119%0.188CC..Hα-helixtrans-73.6-42.3168.7171.60000110.1S53 F127 L128 G134 I136 L138 R157S53-V131 WeakPolarHBondContact OG-CG1 3.47Å; F127-V131 PolarHBondContact O-N 3.5Å; L128-V131 PolarHBondContact O-N 3.39Å; V131-G134 PolarHBondContact O-N 3.19Å; V131-I136 HydrophobicContact CG2-CD1 3.9Å; V131-I136 HydrophobicContact CG2-CG1 3.99Å; V131-L138 HydrophobicContact CG2-CB 3.84Å; V131-L138 HydrophobicContact CG2-CD2 4.47Å; V131-R157 HydrophobicContact CG1-CB 3.99Å
132E92.2Very high92.9Very high111 Ų11126 Ų2652%0.51915%0.154SC..Hα-helixtrans-65.6-46.3-178.7-76178.716700113.3L128 G134 R157L128-E132 WeakPolarHBondContact O-CB 3.45Å; L128-E132 VanDerWaalsContact O-CG 3.31Å; L128-E132 WeakPolarHBondContact O-CG 3.34Å; L128-E132 PolarHBondContact O-N 3.06Å; E132-G134 PolarHBondContact O-N 3.38Å; E132-R157 IonicContact OE1-CZ 2.69Å; E132-R157 IonicContact OE1-NE 3.86Å; E132-R157 PolarHBondContact OE1-NE 2.92Å; E132-R157 IonicContact OE1-NH2 3.71Å; E132-R157 PolarHBondContact OE1-NH2 3.21Å
133N90.4Very high92.8Very high65 Ų6524.3 Ų24.335%0.34814%0.138SC..Hα-helixtrans-74.5-17.3177.869.49.4000111.7E100 R103 P129 Y130 S135E100-N133 PolarHBondContact OE1-ND2 3.26Å; R103-N133 VanDerWaalsContact NH1-C 3.27Å; R103-N133 PolarHBondContact NH1-O 2.92Å; R103-N133 PolarHBondContact NH2-O 2.89Å; P129-N133 PolarHBondContact O-N 2.88Å; P129-N133 PolarHBondContact O-ND2 3.1Å; P129-N133 PolarHBondContact O-OD1 3Å; Y130-N133 VanDerWaalsContact CA-OD1 3.26Å; Y130-N133 WeakPolarHBondContact CA-OD1 3.41Å; Y130-N133 PolarHBondContact O-OD1 2.94Å; N133-S135 PolarHBondContact ND2-OG 2.93Å; N133-S135 WeakPolarHBondContact OD1-CB 3.38Å; N133-S135 PolarHBondContact OD1-N 3.06Å; N133-S135 PolarHBondContact OD1-OG 2.73Å
134G89.4Confident92.4Very high33 Ų3323.8 Ų23.834%0.3414%0.136SC..THydrogen-bonded Turntrans87.216.5-178.800000114.7R103 Y130 V131 E132 I136R103-G134 WeakPolarHBondContact CD-O 3.35Å; R103-G134 PolarHBondContact NE-O 3.1Å; R103-G134 VanDerWaalsContact NE-O 3.13Å; R103-G134 PolarHBondContact NH1-O 3.07Å; R103-G134 PolarHBondContact NH2-O 2.89Å; Y130-G134 CarbonylContact O-C 3.53Å; Y130-G134 PolarHBondContact O-N 2.65Å; V131-G134 PolarHBondContact O-N 3.19Å; E132-G134 PolarHBondContact O-N 3.38Å; G134-I136 PolarHBondContact O-N 3.14Å
135S91.2Very high91.9Very high5 Ų525.3 Ų25.34%0.03514%0.144CC..SBendtrans-67.6-25.7179-710000112.7R103 Y130 N133R103-S135 VanDerWaalsContact CD-CA 3.47Å; R103-S135 PolarHBondContact NH1-OG 2.84Å; Y130-S135 PolarHBondContact O-N 3.25Å; N133-S135 PolarHBondContact ND2-OG 2.93Å; N133-S135 WeakPolarHBondContact OD1-CB 3.38Å; N133-S135 PolarHBondContact OD1-N 3.06Å; N133-S135 PolarHBondContact OD1-OG 2.73Å
136I94.2Very high91.7Very high4 Ų422.6 Ų22.62%0.02113%0.129CC..  trans-132.6155.1171.862.2157.6000111.2M96 A99 T109 V111 F127 Y130 V131 G134 L138M96-I136 HydrophobicContact SD-CD1 3.64Å; M96-I136 HydrophobicContact SD-CG1 4.42Å; M96-I136 HydrophobicContact SD-CG2 4.09Å; A99-I136 HydrophobicContact CB-CG2 3.56Å; T109-I136 WeakPolarHBondContact O-CA 3.43Å; V111-I136 HydrophobicContact CB-CD1 4.11Å; V111-I136 HydrophobicContact CG2-CB 3.85Å; V111-I136 HydrophobicContact CG2-CD1 3.97Å; V111-I136 HydrophobicContact CG2-CG2 3.63Å; F127-I136 HydrophobicContact CD1-CD1 4.08Å; Y130-I136 PolarHBondContact O-N 3.35Å; Y130-I136 VanDerWaalsContact O-N 3.1Å; V131-I136 HydrophobicContact CG2-CD1 3.9Å; V131-I136 HydrophobicContact CG2-CG1 3.99Å; G134-I136 PolarHBondContact O-N 3.14Å; I136-L138 HydrophobicContact CD1-CB 4.3Å
137I95.4Very high91.2Very high25 Ų2525.8 Ų25.813%0.12815%0.151CC..EExtended strand (participates in β ladder)trans-102.4113159.1-65.5167.7000106.5V51 T109 I110 V111 I139V51-I137 HydrophobicContact CB-CD1 4.5Å; V51-I137 HydrophobicContact CG1-CG2 3.98Å; V51-I137 WeakPolarHBondContact O-CD1 3.49Å; T109-I137 PolarHBondContact O-N 3.44Å; I110-I137 WeakPolarHBondContact CA-O 3.46Å; I110-I137 HydrophobicContact CG1-CB 4.07Å; I110-I137 HydrophobicContact CG1-CD1 4.48Å; I110-I137 HydrophobicContact CG1-CG2 4.31Å; V111-I137 PolarHBondContact N-O 3.13Å; I137-I139 HydrophobicContact CG2-CG1 4.46Å
138L95.9Very high90.4Very high0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-85.1126.3178.7-179.470.7000110S53 M54 V111 V113 I116 F127 V131 I136 L154S53-L138 CarbonylContact C-O 3.57Å; S53-L138 WeakPolarHBondContact CA-O 3.2Å; S53-L138 PolarHBondContact OG-N 3.24Å; M54-L138 PolarHBondContact N-O 3.22Å; V111-L138 HydrophobicContact CB-CD1 4.36Å; V111-L138 HydrophobicContact CG1-CD1 4.12Å; V111-L138 WeakPolarHBondContact O-CA 3.44Å; V113-L138 HydrophobicContact CG2-CD1 3.67Å; I116-L138 HydrophobicContact CD1-CD2 4.31Å; F127-L138 HydrophobicContact CB-CD2 4.44Å; F127-L138 HydrophobicContact CD1-CD1 4.24Å; F127-L138 HydrophobicContact CG-CD1 4.42Å; V131-L138 HydrophobicContact CG2-CB 3.84Å; V131-L138 HydrophobicContact CG2-CD2 4.47Å; I136-L138 HydrophobicContact CD1-CB 4.3Å; L138-L154 HydrophobicContact CD2-CD1 3.71Å; L138-L154 HydrophobicContact CD2-CD2 3.81Å; L138-L154 HydrophobicContact CD2-CG 4.06Å
139I97Very high90.1Very high0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-115.7102.9167.9-56.8-176.7000108.1M54 F56 A68 I71 I110 V111 F112 V113 I137M54-I139 HydrophobicContact CG-CG1 4.03Å; M54-I139 HydrophobicContact CG-CG2 4.22Å; M54-I139 VanDerWaalsContact O-CA 3.31Å; M54-I139 WeakPolarHBondContact O-CA 3.43Å; F56-I139 HydrophobicContact CD2-CG2 3.6Å; F56-I139 HydrophobicContact CE2-CG2 3.44Å; F56-I139 VanDerWaalsContact CE2-CG2 3.44Å; F56-I139 HydrophobicContact CZ-CG2 4.3Å; A68-I139 HydrophobicContact CB-CD1 4.25Å; A68-I139 HydrophobicContact CB-CG2 3.95Å; I71-I139 HydrophobicContact CB-CD1 4.46Å; I71-I139 HydrophobicContact CD1-CD1 4.22Å; I71-I139 HydrophobicContact CG2-CD1 4.22Å; I110-I139 HydrophobicContact CD1-CD1 4.47Å; I110-I139 HydrophobicContact CG2-CD1 3.64Å; I110-I139 HydrophobicContact CG2-CG1 3.93Å; V111-I139 PolarHBondContact O-N 3.36Å; F112-I139 CarbonylContact C-O 3.43Å; F112-I139 VanDerWaalsContact CA-O 3.29Å; F112-I139 WeakPolarHBondContact CA-O 3.41Å; F112-I139 HydrophobicContact CD2-CB 4.05Å; F112-I139 HydrophobicContact CD2-CG2 3.79Å; F112-I139 VanDerWaalsContact CD2-O 3.27Å; F112-I139 WeakPolarHBondContact CD2-O 3.22Å; F112-I139 HydrophobicContact CE2-CG2 4.17Å; V113-I139 PolarHBondContact N-O 2.9Å; I137-I139 HydrophobicContact CG2-CG1 4.46Å
140G95.5Very high89.9Confident0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-89.1141.817300000111.3M54 I55 F56 V113M54-G140 PolarHBondContact O-N 2.99Å; I55-G140 CarbonylContact C-O 3.49Å; I55-G140 WeakPolarHBondContact CA-O 3.22Å; F56-G140 PolarHBondContact N-O 3.04Å; V113-G140 WeakPolarHBondContact O-CA 3.46Å
141A95Very high89.7Confident0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-117.4138.1169.700000110.8F56 K64 F112 V113 E115 I116F56-A141 WeakPolarHBondContact O-CA 3.31Å; K64-A141 HydrophobicContact CB-CB 3.97Å; K64-A141 HydrophobicContact CD-CB 4Å; F112-A141 HydrophobicContact CE2-CB 3.74Å; F112-A141 HydrophobicContact CZ-CB 3.65Å; V113-A141 PolarHBondContact O-N 3.32Å; E115-A141 CarbonylContact C-O 3.6Å; E115-A141 WeakPolarHBondContact CA-O 3.46Å; E115-A141 PolarHBondContact N-O 2.93Å; I116-A141 PolarHBondContact N-O 3.18Å
142T91.4Very high89.6Confident0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-149.4147.7179.4-175.60000112.1I55 F56 W57 G58 H117 E144 P146I55-T142 HydrophobicContact CG2-CG2 4.01Å; F56-T142 PolarHBondContact O-N 3.31Å; W57-T142 WeakPolarHBondContact CA-O 3.43Å; W57-T142 HydrophobicContact CB-CG2 4.1Å; W57-T142 HydrophobicContact CG-CG2 4.44Å; G58-T142 PolarHBondContact N-O 2.93Å; G58-T142 VanDerWaalsContact N-O 3.07Å; H117-T142 PolarHBondContact ND1-OG1 3.21Å; T142-E144 WeakPolarHBondContact CG2-O 3.38Å; T142-E144 PolarHBondContact OG1-N 3.04Å; T142-E144 PolarHBondContact OG1-O 3.18Å; T142-E144 VanDerWaalsContact OG1-O 3.09Å; T142-P146 HydrophobicContact CG2-CB 4.45Å
143T87.8Confident89.5Confident23 Ų2334.3 Ų34.314%0.14120%0.198CC..SBendtrans-90.5-22.216452.60000112.2G58G58-T143 WeakPolarHBondContact O-CA 3.28Å
144E82.9Confident89.6Confident18 Ų1831.2 Ų31.28%0.08418%0.182CC..SBendtrans-84151.2178.7-57.4-47.2127.600112.3H117 T142 P146 E149 G251 E252H117-E144 HydrophobicContact CB-CB 4.29Å; H117-E144 HydrophobicContact CB-CG 4.34Å; T142-E144 WeakPolarHBondContact CG2-O 3.38Å; T142-E144 PolarHBondContact OG1-N 3.04Å; T142-E144 PolarHBondContact OG1-O 3.18Å; T142-E144 VanDerWaalsContact OG1-O 3.09Å; E144-P146 WeakPolarHBondContact O-CD 3.31Å; E144-P146 VanDerWaalsContact O-N 3.11Å; E144-E149 HydrophobicContact CB-CG 3.99Å; E144-E149 HydrophobicContact CG-CG 4.44Å; E144-G251 VanDerWaalsContact OE1-CA 3.25Å; E144-G251 WeakPolarHBondContact OE1-CA 3.49Å; E144-G251 WeakPolarHBondContact OE2-CA 3.33Å; E144-E252 PolarHBondContact OE2-N 3.1Å
145N82.5Confident89.8Confident36 Ų3631.3 Ų31.319%0.19317%0.174CC..  trans-58116.6174.1-176-36.4000109.8W57 S147 F148W57-N145 HydrophobicContact CH2-CB 4.47Å; W57-N145 HydrophobicContact CZ2-CB 3.93Å; N145-S147 PolarHBondContact O-N 3.08Å; N145-S147 VanDerWaalsContact O-N 3.1Å; N145-S147 VanDerWaalsContact OD1-CB 3.26Å; N145-S147 WeakPolarHBondContact OD1-CB 3.5Å; N145-S147 PolarHBondContact OD1-N 3.49Å; N145-S147 PolarHBondContact OD1-OG 2.87Å; N145-F148 HydrophobicContact CB-CD2 3.85Å; N145-F148 HydrophobicContact CB-CE2 4.2Å; N145-F148 PolarHBondContact O-N 2.84Å
146P86.7Confident89.9Confident3 Ų335.6 Ų35.62%0.01920%0.204CC..Hα-helixtrans-63.1-25.9-171.123.3-33.3000112.7I55 W57 T142 E144 F148 I150 L155 V160I55-P146 HydrophobicContact CG2-CB 4.27Å; W57-P146 HydrophobicContact CB-CG 4.33Å; W57-P146 VanDerWaalsContact CD2-CD 3.42Å; W57-P146 HydrophobicContact CD2-CG 4.18Å; W57-P146 HydrophobicContact CE3-CG 4.02Å; W57-P146 HydrophobicContact CG-CG 4.33Å; T142-P146 HydrophobicContact CG2-CB 4.45Å; E144-P146 WeakPolarHBondContact O-CD 3.31Å; E144-P146 VanDerWaalsContact O-N 3.11Å; P146-F148 PolarHBondContact O-N 3.1Å; P146-I150 HydrophobicContact CB-CD1 3.68Å; P146-I150 HydrophobicContact CB-CG1 4.21Å; P146-I150 VanDerWaalsContact O-CB 3.28Å; P146-I150 WeakPolarHBondContact O-CB 3.27Å; P146-I150 PolarHBondContact O-N 3.13Å; P146-L155 HydrophobicContact CB-CD2 3.99Å; P146-L155 WeakPolarHBondContact O-CD1 3.48Å; P146-V160 HydrophobicContact CG-CG1 3.87Å; P146-V160 HydrophobicContact CG-CG2 4.48Å
147S81.1Confident89.9Confident82 Ų8240.1 Ų40.157%0.57322%0.221SC*.Hα-helixtrans-64.6-25.2-178.2-33.40000113.7N145N145-S147 PolarHBondContact O-N 3.08Å; N145-S147 VanDerWaalsContact O-N 3.1Å; N145-S147 VanDerWaalsContact OD1-CB 3.26Å; N145-S147 WeakPolarHBondContact OD1-CB 3.5Å; N145-S147 PolarHBondContact OD1-N 3.49Å; N145-S147 PolarHBondContact OD1-OG 2.87Å
148F77.7Confident89.8Confident169 Ų16939.5 Ų39.574%0.74122%0.219SC*.Hα-helixtrans-95-38.3-178.9-60.6-49.2000112.4N145 P146N145-F148 HydrophobicContact CB-CD2 3.85Å; N145-F148 HydrophobicContact CB-CE2 4.2Å; N145-F148 PolarHBondContact O-N 2.84Å; P146-F148 PolarHBondContact O-N 3.1Å
149E85.6Confident89.7Confident95 Ų9544 Ų4444%0.44424%0.238SC..Hα-helixtrans-103.5-17.8-169-61.7-59.5147.800114.3H117 Q124 E144H117-E149 HydrophobicContact CB-CB 3.56Å; H117-E149 HydrophobicContact CB-CG 4.08Å; Q124-E149 PolarHBondContact NE2-O 3.09Å; E144-E149 HydrophobicContact CB-CG 3.99Å; E144-E149 HydrophobicContact CG-CG 4.44Å
150I88.3Confident89.6Confident8 Ų847 Ų474%0.04126%0.257CS..SBendtrans-104.4136.7179.8-52.9-178000109.9I55 I116 P146 S152 L154 L155I55-I150 HydrophobicContact CD1-CD1 4.04Å; I55-I150 HydrophobicContact CG1-CD1 4.16Å; I55-I150 HydrophobicContact CG2-CD1 3.8Å; I116-I150 HydrophobicContact CG2-CD1 3.62Å; I116-I150 HydrophobicContact CG2-CG1 4.21Å; P146-I150 HydrophobicContact CB-CD1 3.68Å; P146-I150 HydrophobicContact CB-CG1 4.21Å; P146-I150 VanDerWaalsContact O-CB 3.28Å; P146-I150 WeakPolarHBondContact O-CB 3.27Å; P146-I150 PolarHBondContact O-N 3.13Å; I150-S152 PolarHBondContact O-N 2.8Å; I150-L154 HydrophobicContact CG2-CB 4.21Å; I150-L154 HydrophobicContact CG2-CD2 4.03Å; I150-L154 HydrophobicContact CG2-CG 4.46Å; I150-L155 HydrophobicContact CB-CD1 4.3Å; I150-L155 HydrophobicContact CB-CD2 3.93Å; I150-L155 HydrophobicContact CB-CG 3.99Å; I150-L155 HydrophobicContact CD1-CD2 4.29Å; I150-L155 HydrophobicContact CG2-CD2 3.87Å; I150-L155 HydrophobicContact CG2-CG 3.87Å
151N89.5Confident89.6Confident37 Ų3747.7 Ų47.720%0.19826%0.26CS..  trans-57.7128.9177.4-173.40.1000110.9D125 A153 L154 L155D125-N151 PolarHBondContact OD1-ND2 2.83Å; N151-A153 PolarHBondContact O-N 2.82Å; N151-A153 PolarHBondContact OD1-N 2.97Å; N151-L154 WeakPolarHBondContact O-CB 3.29Å; N151-L154 PolarHBondContact O-N 2.9Å; N151-L155 PolarHBondContact O-N 2.85Å
152S91.1Very high89.5Confident89 Ų8950.7 Ų50.762%0.62228%0.278SS*.Hα-helixtrans-43.8-37.8171.561.70000114.3I150 L154 L155 S156I150-S152 PolarHBondContact O-N 2.8Å; S152-L154 VanDerWaalsContact C-N 3.34Å; S152-L154 PolarHBondContact O-N 2.77Å; S152-L155 PolarHBondContact O-N 2.97Å; S152-S156 VanDerWaalsContact O-CB 3.28Å; S152-S156 WeakPolarHBondContact O-CB 3.37Å; S152-S156 PolarHBondContact O-N 2.93Å
153A91.8Very high89.6Confident28 Ų2850.8 Ų50.823%0.23128%0.279CS..Hα-helixtrans-64.5-37.7178.300000112.8L128 N151 R157L128-A153 HydrophobicContact CD1-CB 3.89Å; L128-A153 HydrophobicContact CD2-CB 4.09Å; N151-A153 PolarHBondContact O-N 2.82Å; N151-A153 PolarHBondContact OD1-N 2.97Å; A153-R157 WeakPolarHBondContact O-CD 3.36Å; A153-R157 PolarHBondContact O-NH1 3.05Å
154L92.6Very high89.7Confident0 Ų053.6 Ų53.60%029%0.293CS..Hα-helixtrans-78.4-39.9178.9-167.664.6000111I116 Q124 L128 L138 I150 N151 S152 S156 R157 S158I116-L154 HydrophobicContact CD1-CD2 4.13Å; Q124-L154 HydrophobicContact CB-CD2 4.4Å; L128-L154 HydrophobicContact CD2-CB 4.05Å; L128-L154 HydrophobicContact CD2-CD1 3.77Å; L128-L154 HydrophobicContact CG-CD1 4.48Å; L138-L154 HydrophobicContact CD2-CD1 3.71Å; L138-L154 HydrophobicContact CD2-CD2 3.81Å; L138-L154 HydrophobicContact CD2-CG 4.06Å; I150-L154 HydrophobicContact CG2-CB 4.21Å; I150-L154 HydrophobicContact CG2-CD2 4.03Å; I150-L154 HydrophobicContact CG2-CG 4.46Å; N151-L154 WeakPolarHBondContact O-CB 3.29Å; N151-L154 PolarHBondContact O-N 2.9Å; S152-L154 VanDerWaalsContact C-N 3.34Å; S152-L154 PolarHBondContact O-N 2.77Å; L154-S156 VanDerWaalsContact C-N 3.33Å; L154-S156 PolarHBondContact O-N 3.34Å; L154-R157 PolarHBondContact O-N 2.77Å; L154-R157 VanDerWaalsContact O-N 3.13Å; L154-S158 WeakPolarHBondContact O-CB 3.36Å; L154-S158 PolarHBondContact O-N 2.94Å; L154-S158 PolarHBondContact O-OG 2.91Å
155L93Very high89.9Confident36 Ų3657.1 Ų57.119%0.18831%0.309CS..Hα-helixtrans-60.4-41.4172.3-69.3177.6000112.1I55 P146 I150 N151 S152 R157 S158 V160I55-L155 HydrophobicContact CG1-CD2 4.4Å; P146-L155 HydrophobicContact CB-CD2 3.99Å; P146-L155 WeakPolarHBondContact O-CD1 3.48Å; I150-L155 HydrophobicContact CB-CD1 4.3Å; I150-L155 HydrophobicContact CB-CD2 3.93Å; I150-L155 HydrophobicContact CB-CG 3.99Å; I150-L155 HydrophobicContact CD1-CD2 4.29Å; I150-L155 HydrophobicContact CG2-CD2 3.87Å; I150-L155 HydrophobicContact CG2-CG 3.87Å; N151-L155 PolarHBondContact O-N 2.85Å; S152-L155 PolarHBondContact O-N 2.97Å; L155-R157 PolarHBondContact O-N 3.09Å; L155-R157 VanDerWaalsContact O-N 3.08Å; L155-S158 PolarHBondContact O-N 3.3Å; L155-S158 VanDerWaalsContact O-N 3.1Å; L155-V160 HydrophobicContact CD2-CG2 4.14Å
156S93Very high90.3Very high95 Ų9555.8 Ų55.866%0.66430%0.302SS*.THydrogen-bonded Turntrans-57.6-23.2175.4158.40000113.6S152 L154S152-S156 VanDerWaalsContact O-CB 3.28Å; S152-S156 WeakPolarHBondContact O-CB 3.37Å; S152-S156 PolarHBondContact O-N 2.93Å; L154-S156 VanDerWaalsContact C-N 3.33Å; L154-S156 PolarHBondContact O-N 3.34Å
157R93.1Very high90.5Very high98 Ų9861.6 Ų61.637%0.3733%0.329SS..THydrogen-bonded Turntrans-107.71.7-178-68159.2-179.7588.9113V131 E132 A153 L154 L155V131-R157 HydrophobicContact CG1-CB 3.99Å; E132-R157 IonicContact OE1-CZ 2.69Å; E132-R157 IonicContact OE1-NE 3.86Å; E132-R157 PolarHBondContact OE1-NE 2.92Å; E132-R157 IonicContact OE1-NH2 3.71Å; E132-R157 PolarHBondContact OE1-NH2 3.21Å; A153-R157 WeakPolarHBondContact O-CD 3.36Å; A153-R157 PolarHBondContact O-NH1 3.05Å; L154-R157 PolarHBondContact O-N 2.77Å; L154-R157 VanDerWaalsContact O-N 3.13Å; L155-R157 PolarHBondContact O-N 3.09Å; L155-R157 VanDerWaalsContact O-N 3.08Å
158S93.6Very high90.8Very high12 Ų1260.4 Ų60.48%0.08432%0.321CS..SBendtrans-127.1135.9-174.7-53.60000110.6S53 L154 L155S53-S158 WeakPolarHBondContact O-CA 3.5Å; L154-S158 WeakPolarHBondContact O-CB 3.36Å; L154-S158 PolarHBondContact O-N 2.94Å; L154-S158 PolarHBondContact O-OG 2.91Å; L155-S158 PolarHBondContact O-N 3.3Å; L155-S158 VanDerWaalsContact O-N 3.1Å
159K94.3Very high91.5Very high94 Ų9458.9 Ų58.941%0.40932%0.316SS..EExtended strand (participates in β ladder)trans-79.1130170.8-67.8-174.9178.5-179.90109.8S53 M54 I55 F161S53-K159 PolarHBondContact O-N 2.77Å; M54-K159 CarbonylContact C-O 3.56Å; M54-K159 WeakPolarHBondContact CA-O 3.4Å; M54-K159 HydrophobicContact CB-CB 4.47Å; M54-K159 VanDerWaalsContact CB-O 3.24Å; M54-K159 WeakPolarHBondContact CB-O 3.25Å; I55-K159 PolarHBondContact N-O 3.32Å; K159-F161 HydrophobicContact CB-CD2 4.39Å; K159-F161 HydrophobicContact CB-CE2 3.73Å; K159-F161 HydrophobicContact CB-CZ 4.11Å; K159-F161 HydrophobicContact CD-CZ 4.25Å
160V94.4Very high91.8Very high65 Ų6555.8 Ų55.839%0.39430%0.302SS..EExtended strand (participates in β ladder)trans-91.5125.4175.5-1770000109.2I55 W57 P146 L155I55-V160 HydrophobicContact CB-CG2 4.37Å; I55-V160 WeakPolarHBondContact O-CA 3.41Å; W57-V160 HydrophobicContact CB-CG1 4.49Å; W57-V160 HydrophobicContact CE3-CG1 4.38Å; P146-V160 HydrophobicContact CG-CG1 3.87Å; P146-V160 HydrophobicContact CG-CG2 4.48Å; L155-V160 HydrophobicContact CD2-CG2 4.14Å
161F95.7Very high92Very high14 Ų1455.4 Ų55.46%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-117.3125.4174.4-66.4-77.4000109.6L35 L41 L42 I45 M54 I55 F56 W57 K159L35-F161 HydrophobicContact CD1-CB 4.11Å; L35-F161 HydrophobicContact CD2-CD1 3.99Å; L41-F161 HydrophobicContact CD2-CE1 4.4Å; L42-F161 HydrophobicContact CB-CD1 4.3Å; L42-F161 HydrophobicContact CB-CE1 3.98Å; L42-F161 HydrophobicContact CB-CZ 4.36Å; L42-F161 HydrophobicContact CD1-CD2 4.23Å; L42-F161 HydrophobicContact CD1-CE1 4.27Å; L42-F161 HydrophobicContact CD1-CE2 3.85Å; L42-F161 HydrophobicContact CD1-CZ 3.87Å; L42-F161 HydrophobicContact CD2-CD1 4.3Å; L42-F161 HydrophobicContact CD2-CG 4.24Å; I45-F161 HydrophobicContact CD1-CZ 4.48Å; M54-F161 HydrophobicContact CB-CD2 3.98Å; M54-F161 HydrophobicContact CB-CE2 3.95Å; M54-F161 HydrophobicContact CE-CE2 4.35Å; M54-F161 HydrophobicContact SD-CD2 4.12Å; M54-F161 HydrophobicContact SD-CE2 4.05Å; I55-F161 PolarHBondContact O-N 3.46Å; F56-F161 HydrophobicContact CD1-CB 4.01Å; F56-F161 HydrophobicContact CE1-CB 4.25Å; F56-F161 HydrophobicContact CE1-CD2 4.17Å; W57-F161 PolarHBondContact N-O 2.83Å; K159-F161 HydrophobicContact CB-CD2 4.39Å; K159-F161 HydrophobicContact CB-CE2 3.73Å; K159-F161 HydrophobicContact CB-CZ 4.11Å; K159-F161 HydrophobicContact CD-CZ 4.25Å
162V93.4Very high92.2Very high63 Ų6355.1 Ų55.138%0.38230%0.299SS..EExtended strand (participates in β ladder)trans-92.2115.4-179.4-173.30000109.7H34 L35 W57H34-V162 PolarHBondContact NE2-O 2.97Å; L35-V162 WeakPolarHBondContact CD1-O 3.24Å; W57-V162 HydrophobicContact CE3-CG2 3.68Å; W57-V162 HydrophobicContact CZ3-CG2 3.99Å; W57-V162 CarbonylContact O-C 3.5Å; W57-V162 WeakPolarHBondContact O-CA 3.3Å
163L94.1Very high92.3Very high2 Ų255.4 Ų55.41%0.0129%0.29CS..PPolyproline II helixtrans-94.2123.3174-74.578.6000109Q32 L35 F56 W57 G58 P59 V62 K64 L67Q32-L163 HydrophobicContact CG-CD2 4.26Å; Q32-L163 HydrophobicContact CG-CG 4.32Å; L35-L163 HydrophobicContact CD1-CD1 4.34Å; L35-L163 HydrophobicContact CD1-CG 4.42Å; F56-L163 HydrophobicContact CB-CD1 3.85Å; F56-L163 HydrophobicContact CD1-CD1 3.69Å; F56-L163 HydrophobicContact CG-CD1 4.03Å; W57-L163 PolarHBondContact O-N 3.5Å; G58-L163 WeakPolarHBondContact CA-O 3.37Å; P59-L163 WeakPolarHBondContact CD-O 3.23Å; V62-L163 HydrophobicContact CB-CB 4.4Å; V62-L163 HydrophobicContact CG2-CB 3.67Å; V62-L163 HydrophobicContact CG2-CD2 3.96Å; V62-L163 HydrophobicContact CG2-CG 4.48Å; K64-L163 HydrophobicContact CG-CD2 4.09Å; L67-L163 HydrophobicContact CD2-CD2 4.42Å
164N90.3Very high92.4Very high81 Ų8155.3 Ų55.343%0.43329%0.286SS..PPolyproline II helixtrans-79.1160.8-179.5-64.2-13.2000110.6Q32 H34 V62Q32-N164 PolarHBondContact NE2-O 3.2Å; H34-N164 PolarHBondContact CE1-ND2 3.43Å; V62-N164 VanDerWaalsContact CG1-O 3.3Å; V62-N164 WeakPolarHBondContact CG1-O 3.33Å
165Q86.9Confident92.5Very high92 Ų9255.3 Ų55.343%0.4329%0.286SS..PPolyproline II helixtrans-57.4144.2164.2-170.2163.237.400109.6P59 N205P59-Q165 HydrophobicContact CG-CB 4.39Å; Q165-N205 PolarHBondContact NE2-O 2.99Å
166L91Very high92.5Very high9 Ų959.1 Ų59.15%0.04730%0.301CS..PPolyproline II helixtrans-74.5140179.1-63174.3000110D170 I171 G206 A208L166-D170 HydrophobicContact CB-CB 4.08Å; L166-D170 HydrophobicContact CD2-CB 4.33Å; L166-I171 HydrophobicContact CB-CD1 3.83Å; L166-I171 HydrophobicContact CB-CG1 4.13Å; L166-I171 HydrophobicContact CD1-CD1 3.68Å; L166-I171 HydrophobicContact CG-CD1 4.41Å; L166-G206 WeakPolarHBondContact CB-O 3.35Å; L166-G206 PolarHBondContact N-O 3.35Å; L166-G206 WeakPolarHBondContact O-CA 3.14Å; L166-A208 HydrophobicContact CD1-CB 3.69Å
167E89.4Confident92.5Very high125 Ų12558.1 Ų58.158%0.58429%0.285SS*.PPolyproline II helixtrans-73.6164.4175.4-61.9-61.5158.600110.7E169 D170 I171E167-E169 PolarHBondContact O-N 3.01Å; E167-D170 PolarHBondContact N-OD2 2.89Å; E167-D170 WeakPolarHBondContact O-CB 3.48Å; E167-D170 PolarHBondContact O-N 3.42Å; E167-D170 VanDerWaalsContact O-N 3.13Å; E167-I171 PolarHBondContact O-N 3.27Å; E167-I171 VanDerWaalsContact O-N 3.09Å
168S87.7Confident92.5Very high57 Ų5753.4 Ų53.440%0.39927%0.268SS..Hα-helixtrans-61.7-36.9-178.7-660000111.5I171 L172S168-I171 PolarHBondContact O-N 2.88Å; S168-L172 WeakPolarHBondContact O-CG 3.31Å; S168-L172 PolarHBondContact O-N 3.32Å
169E92.1Very high92.4Very high136 Ų13654.4 Ų54.464%0.63627%0.272SS*.Hα-helixtrans-63.8-39.5175.7-65.174.2-164.200112.3E167 L172 Q173E167-E169 PolarHBondContact O-N 3.01Å; E169-L172 PolarHBondContact O-N 3.23Å; E169-Q173 WeakPolarHBondContact O-CB 3.37Å; E169-Q173 PolarHBondContact O-N 3.01Å
170D93.4Very high92.3Very high31 Ų3156.3 Ų56.317%0.16629%0.286CS..Hα-helixtrans-62.9-45.8175.5-72.4-36.7000110.3V30 L166 E167 L172 Q173 L174V30-D170 HydrophobicContact CG1-CB 3.9Å; V30-D170 VanDerWaalsContact CG1-O 3.26Å; V30-D170 WeakPolarHBondContact CG1-O 3.32Å; L166-D170 HydrophobicContact CB-CB 4.08Å; L166-D170 HydrophobicContact CD2-CB 4.33Å; E167-D170 PolarHBondContact N-OD2 2.89Å; E167-D170 WeakPolarHBondContact O-CB 3.48Å; E167-D170 PolarHBondContact O-N 3.42Å; E167-D170 VanDerWaalsContact O-N 3.13Å; D170-L172 PolarHBondContact O-N 2.93Å; D170-Q173 PolarHBondContact O-N 3.38Å; D170-L174 WeakPolarHBondContact O-CB 3.41Å; D170-L174 PolarHBondContact O-N 3.37Å
171I92.6Very high92.1Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-63.3-43.1178.1-61.3-65.3000110.9L166 E167 S168 Q173 L174 L175 A201 A204 A208 A211L166-I171 HydrophobicContact CB-CD1 3.83Å; L166-I171 HydrophobicContact CB-CG1 4.13Å; L166-I171 HydrophobicContact CD1-CD1 3.68Å; L166-I171 HydrophobicContact CG-CD1 4.41Å; E167-I171 PolarHBondContact O-N 3.27Å; E167-I171 VanDerWaalsContact O-N 3.09Å; S168-I171 PolarHBondContact O-N 2.88Å; I171-Q173 PolarHBondContact O-N 3.39Å; I171-L174 PolarHBondContact O-N 3.37Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.22Å; I171-L175 VanDerWaalsContact O-CG 3.25Å; I171-L175 WeakPolarHBondContact O-CG 3.26Å; I171-L175 PolarHBondContact O-N 3.27Å; I171-A201 HydrophobicContact CB-CB 4.06Å; I171-A201 HydrophobicContact CG2-CB 3.76Å; I171-A204 HydrophobicContact CG2-CB 4.42Å; I171-A208 HydrophobicContact CD1-CB 4.24Å; I171-A211 HydrophobicContact CD1-CB 4.44Å; I171-A211 HydrophobicContact CG2-CB 3.57Å
172L93Very high91.7Very high31 Ų3159.3 Ų59.316%0.16231%0.309CS..Hα-helixtrans-59.8-45.3176-74.2172.5000112.4S168 E169 D170 L174 L175 K176 L197 D198 A201S168-L172 WeakPolarHBondContact O-CG 3.31Å; S168-L172 PolarHBondContact O-N 3.32Å; E169-L172 PolarHBondContact O-N 3.23Å; D170-L172 PolarHBondContact O-N 2.93Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.93Å; L172-L175 PolarHBondContact O-N 3.38Å; L172-K176 WeakPolarHBondContact O-CG 3.34Å; L172-K176 PolarHBondContact O-N 3.02Å; L172-L197 VanDerWaalsContact CD2-C 3.47Å; L172-L197 HydrophobicContact CD2-CB 3.63Å; L172-L197 WeakPolarHBondContact CD2-O 3.49Å; L172-D198 VanDerWaalsContact CD1-OD1 3.3Å; L172-D198 WeakPolarHBondContact CD1-OD1 3.46Å; L172-D198 WeakPolarHBondContact CD2-OD1 3.4Å; L172-A201 HydrophobicContact CD2-CB 4.03Å; L172-A201 HydrophobicContact CG-CB 4.04Å
173Q93.8Very high91.5Very high95 Ų9560.9 Ų60.944%0.44431%0.311SS..Hα-helixtrans-59.4-46.4175.7177.2179.5-17.400110.9V30 E169 D170 I171 L175 K176 Q177V30-Q173 HydrophobicContact CG1-CB 4.23Å; V30-Q173 HydrophobicContact CG1-CG 4.28Å; V30-Q173 HydrophobicContact CG2-CG 4.29Å; E169-Q173 WeakPolarHBondContact O-CB 3.37Å; E169-Q173 PolarHBondContact O-N 3.01Å; D170-Q173 PolarHBondContact O-N 3.38Å; I171-Q173 PolarHBondContact O-N 3.39Å; Q173-L175 PolarHBondContact O-N 3.35Å; Q173-K176 PolarHBondContact O-N 3.44Å; Q173-Q177 WeakPolarHBondContact O-CG 3.31Å; Q173-Q177 PolarHBondContact O-N 2.9Å
174L94.2Very high91.4Very high26 Ų2660.8 Ų60.814%0.13631%0.311CS..Hα-helixtrans-63.2-40.7-179.8179.6149.1000112.2V30 D170 I171 L172 Q177 A178 A208 L212V30-L174 HydrophobicContact CB-CB 4.33Å; V30-L174 HydrophobicContact CB-CD1 4.44Å; V30-L174 HydrophobicContact CG1-CB 4.36Å; V30-L174 HydrophobicContact CG2-CB 4.23Å; D170-L174 WeakPolarHBondContact O-CB 3.41Å; D170-L174 PolarHBondContact O-N 3.37Å; I171-L174 PolarHBondContact O-N 3.37Å; L172-L174 VanDerWaalsContact C-N 3.33Å; L172-L174 PolarHBondContact O-N 2.93Å; L174-Q177 PolarHBondContact O-N 3.36Å; L174-A178 WeakPolarHBondContact O-CB 3.36Å; L174-A178 PolarHBondContact O-N 2.93Å; L174-A208 HydrophobicContact CD1-CB 3.56Å; L174-A208 HydrophobicContact CD2-CB 4.24Å; L174-L212 HydrophobicContact CD2-CD1 3.89Å; L174-L212 HydrophobicContact CD2-CD2 3.57Å; L174-L212 HydrophobicContact CD2-CG 3.57Å
175L94Very high91.4Very high0 Ų057.9 Ų57.90%029%0.294CS..Hα-helixtrans-63.6-44.2175.6-69.9170000111.5I171 L172 Q173 A178 I179 L197 I200 A211 L215I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.22Å; I171-L175 VanDerWaalsContact O-CG 3.25Å; I171-L175 WeakPolarHBondContact O-CG 3.26Å; I171-L175 PolarHBondContact O-N 3.27Å; L172-L175 PolarHBondContact O-N 3.38Å; Q173-L175 PolarHBondContact O-N 3.35Å; L175-A178 WeakPolarHBondContact O-CB 3.27Å; L175-A178 PolarHBondContact O-N 2.91Å; L175-I179 WeakPolarHBondContact O-CD1 3.35Å; L175-I179 WeakPolarHBondContact O-CG1 3.35Å; L175-I179 PolarHBondContact O-N 3.41Å; L175-L197 HydrophobicContact CB-CD2 4.09Å; L175-L197 HydrophobicContact CD1-CB 4.44Å; L175-L197 HydrophobicContact CD1-CD2 4.21Å; L175-I200 HydrophobicContact CD1-CB 4.05Å; L175-I200 HydrophobicContact CD1-CG2 3.81Å; L175-I200 HydrophobicContact CD2-CG2 4.13Å; L175-A211 HydrophobicContact CD2-CB 4.08Å; L175-A211 HydrophobicContact CG-CB 4.49Å; L175-L215 HydrophobicContact CD2-CB 3.8Å; L175-L215 HydrophobicContact CD2-CD2 3.7Å; L175-L215 HydrophobicContact CD2-CG 4.27Å
176K93.1Very high91.3Very high116 Ų11657.2 Ų57.250%0.50430%0.298SS..Hα-helixtrans-61.1-46.9175.5-71.6174.7-178.7177.90111.5L172 Q173 A178 I179 D180 L197L172-K176 WeakPolarHBondContact O-CG 3.34Å; L172-K176 PolarHBondContact O-N 3.02Å; Q173-K176 PolarHBondContact O-N 3.44Å; K176-A178 VanDerWaalsContact C-N 3.26Å; K176-A178 PolarHBondContact O-N 3.3Å; K176-I179 PolarHBondContact O-N 3.48Å; K176-I179 VanDerWaalsContact O-N 3.13Å; K176-D180 PolarHBondContact O-N 3.49Å; K176-L197 HydrophobicContact CG-CD1 3.88Å
177Q92.6Very high90.9Very high73 Ų7365.7 Ų65.734%0.34133%0.334SS..Hα-helixtrans-58.4-37.7174.9-74.2179.3-800112.3Q173 L174 S181Q173-Q177 WeakPolarHBondContact O-CG 3.31Å; Q173-Q177 PolarHBondContact O-N 2.9Å; L174-Q177 PolarHBondContact O-N 3.36Å; Q177-S181 WeakPolarHBondContact O-CB 3.45Å; Q177-S181 PolarHBondContact O-N 2.93Å
178A93.2Very high90.8Very high0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-67.9-36.9177.100000112.8L17 V21 L174 L175 K176 G184 L212 L215L17-A178 HydrophobicContact CD2-CB 4.48Å; V21-A178 HydrophobicContact CB-CB 4.41Å; V21-A178 HydrophobicContact CG1-CB 4.18Å; V21-A178 HydrophobicContact CG2-CB 4.01Å; L174-A178 WeakPolarHBondContact O-CB 3.36Å; L174-A178 PolarHBondContact O-N 2.93Å; L175-A178 WeakPolarHBondContact O-CB 3.27Å; L175-A178 PolarHBondContact O-N 2.91Å; K176-A178 VanDerWaalsContact C-N 3.26Å; K176-A178 PolarHBondContact O-N 3.3Å; A178-G184 WeakPolarHBondContact O-CA 3.3Å; A178-L212 HydrophobicContact CB-CD2 3.52Å; A178-L215 HydrophobicContact CB-CD2 4.28Å
179I92.4Very high90.9Very high33 Ų3366.2 Ų66.217%0.16933%0.33CS..Hα-helixtrans-69.2-46176.5-69.3154.9000111.1L175 K176 S181 I190 L192 L197 L215L175-I179 WeakPolarHBondContact O-CD1 3.35Å; L175-I179 WeakPolarHBondContact O-CG1 3.35Å; L175-I179 PolarHBondContact O-N 3.41Å; K176-I179 PolarHBondContact O-N 3.48Å; K176-I179 VanDerWaalsContact O-N 3.13Å; I179-S181 VanDerWaalsContact C-N 3.27Å; I179-S181 PolarHBondContact O-N 3.33Å; I179-I190 HydrophobicContact CG1-CD1 4.23Å; I179-I190 HydrophobicContact CG2-CB 4.28Å; I179-I190 HydrophobicContact CG2-CD1 4.24Å; I179-L192 HydrophobicContact CD1-CD1 3.53Å; I179-L197 HydrophobicContact CD1-CD1 4.28Å; I179-L197 HydrophobicContact CD1-CD2 3.97Å; I179-L215 HydrophobicContact CD1-CD1 4.34Å; I179-L215 HydrophobicContact CD1-CD2 4.31Å; I179-L215 HydrophobicContact CG1-CD1 4.49Å; I179-L215 HydrophobicContact CG1-CD2 4.01Å
180D90.2Very high90.8Very high133 Ų13361 Ų6171%0.71131%0.307SS*.Hα-helixtrans-75.5-18.1-177.6-67.2-23.2000112.7K176K176-D180 PolarHBondContact O-N 3.49Å
181S90.4Very high90.5Very high30 Ų3063.2 Ų63.221%0.2132%0.316CS..SBendtrans-68.8131.8-179.8178.60000111.5Q177 I179 K183 G184Q177-S181 WeakPolarHBondContact O-CB 3.45Å; Q177-S181 PolarHBondContact O-N 2.93Å; I179-S181 VanDerWaalsContact C-N 3.27Å; I179-S181 PolarHBondContact O-N 3.33Å; S181-K183 PolarHBondContact O-N 3.22Å; S181-K183 PolarHBondContact OG-N 2.84Å; S181-G184 PolarHBondContact O-N 2.84Å
182P88Confident90.3Very high113 Ų11365.6 Ų65.673%0.73433%0.328SS*.THydrogen-bonded Turntrans-61.7-18.4173.426.1-34.5000113
183K90Very high89.7Confident96 Ų9667.8 Ų67.842%0.41734%0.34SS..THydrogen-bonded Turntrans-85.2-17.9176-59.6179.1-177.11700112.9R20 E24 S181R20-K183 PolarHBondContact NH1-O 2.84Å; R20-K183 WeakPolarHBondContact O-CB 3.43Å; R20-K183 WeakPolarHBondContact O-CD 3.48Å; E24-K183 IonicContact OE1-NZ 3.1Å; E24-K183 PolarHBondContact OE1-NZ 2.87Å; E24-K183 IonicContact OE2-NZ 2.81Å; S181-K183 PolarHBondContact O-N 3.22Å; S181-K183 PolarHBondContact OG-N 2.84Å
184G90.5Very high88.7Confident0 Ų070.7 Ų70.70%036%0.359CS..THydrogen-bonded Turntrans-74.2-68.6-174.400000113L17 R20 A178 S181L17-G184 WeakPolarHBondContact CD1-O 3.03Å; R20-G184 PolarHBondContact NH1-O 2.84Å; R20-G184 PolarHBondContact NH2-O 3.43Å; A178-G184 WeakPolarHBondContact O-CA 3.3Å; S181-G184 PolarHBondContact O-N 2.84Å
185F90.1Very high88.3Confident19 Ų1975 Ų758%0.08338%0.378CS..SBendtrans-132.469.9-179.9-59.5-79.7000111L17 K187 L188 I190 L215 V219L17-F185 HydrophobicContact CD1-CE1 4.41Å; L17-F185 HydrophobicContact CD1-CE2 4.08Å; L17-F185 HydrophobicContact CD1-CZ 4Å; L17-F185 HydrophobicContact CD2-CE2 3.97Å; L17-F185 HydrophobicContact CD2-CZ 3.65Å; L17-F185 HydrophobicContact CG-CZ 4.44Å; F185-K187 PolarHBondContact O-N 3.11Å; F185-L188 HydrophobicContact CB-CB 4.18Å; F185-L188 HydrophobicContact CB-CD1 4.46Å; F185-L188 PolarHBondContact O-N 2.81Å; F185-L188 VanDerWaalsContact O-N 3.09Å; F185-I190 HydrophobicContact CB-CD1 3.86Å; F185-I190 HydrophobicContact CD1-CD1 4.28Å; F185-I190 HydrophobicContact CD2-CD1 3.17Å; F185-I190 HydrophobicContact CE2-CD1 3.63Å; F185-I190 HydrophobicContact CG-CD1 3.51Å; F185-I190 HydrophobicContact CZ-CD1 4.35Å; F185-L215 HydrophobicContact CE2-CD2 4.13Å; F185-L215 HydrophobicContact CE2-CG 4.25Å; F185-L215 HydrophobicContact CZ-CD2 4.48Å; F185-L215 HydrophobicContact CZ-CG 4.18Å; F185-V219 HydrophobicContact CD1-CB 4.24Å; F185-V219 HydrophobicContact CD1-CG1 3.68Å; F185-V219 HydrophobicContact CD1-CG2 4.41Å; F185-V219 HydrophobicContact CE1-CB 3.64Å; F185-V219 HydrophobicContact CE1-CG1 3.61Å; F185-V219 HydrophobicContact CE1-CG2 3.81Å; F185-V219 HydrophobicContact CE2-CG2 4.11Å; F185-V219 HydrophobicContact CG-CG1 4.41Å; F185-V219 HydrophobicContact CZ-CB 3.96Å; F185-V219 HydrophobicContact CZ-CG1 4.29Å; F185-V219 HydrophobicContact CZ-CG2 3.61Å
186P86.1Confident88Confident78 Ų7875 Ų7551%0.50638%0.378SS..THydrogen-bonded Turntrans-58.6130.6-174.824.5-33.9000110.8L188P186-L188 PolarHBondContact O-N 3.21Å
187K83.1Confident87.9Confident188 Ų18870.2 Ų70.282%0.81736%0.358SS*.THydrogen-bonded Turntrans69.76.4-179-47.8178178.9-176.70116F185F185-K187 PolarHBondContact O-N 3.11Å
188L87.2Confident87.7Confident70 Ų7069.8 Ų69.837%0.36636%0.358SS..  trans-106.8133.7173.6-63.8175.8000109.9F185 P186 V219 D227 V229F185-L188 HydrophobicContact CB-CB 4.18Å; F185-L188 HydrophobicContact CB-CD1 4.46Å; F185-L188 PolarHBondContact O-N 2.81Å; F185-L188 VanDerWaalsContact O-N 3.09Å; P186-L188 PolarHBondContact O-N 3.21Å; L188-V219 HydrophobicContact CD1-CG1 4.36Å; L188-D227 CarbonylContact C-O 3.53Å; L188-D227 WeakPolarHBondContact CA-O 3.32Å; L188-V229 HydrophobicContact CD1-CG2 4.28Å; L188-V229 HydrophobicContact CD2-CG2 4.23Å
189K88.5Confident87.4Confident122 Ų12270.7 Ų70.753%0.5337%0.365SS..EExtended strand (participates in β ladder)trans-91.6119.8164.7-171.9-172.1179.8-1510107.8E191 D227 T228 V229K189-E191 IonicContact NZ-OE1 3.36Å; K189-E191 PolarHBondContact NZ-OE1 3.36Å; K189-D227 PolarHBondContact N-O 3.2Å; K189-T228 CarbonylContact O-C 3.55Å; K189-T228 VanDerWaalsContact O-CA 3.29Å; K189-T228 WeakPolarHBondContact O-CA 3.38Å; K189-V229 PolarHBondContact O-N 3.01Å
190I89.4Confident87.2Confident27 Ų2769.1 Ų69.114%0.13836%0.357CS..EExtended strand (participates in β ladder)trans-97.5122.1178.5-56.6177.5000108.5I179 F185 L192 V219 L231I179-I190 HydrophobicContact CG1-CD1 4.23Å; I179-I190 HydrophobicContact CG2-CB 4.28Å; I179-I190 HydrophobicContact CG2-CD1 4.24Å; F185-I190 HydrophobicContact CB-CD1 3.86Å; F185-I190 HydrophobicContact CD1-CD1 4.28Å; F185-I190 HydrophobicContact CD2-CD1 3.17Å; F185-I190 HydrophobicContact CE2-CD1 3.63Å; F185-I190 HydrophobicContact CG-CD1 3.51Å; F185-I190 HydrophobicContact CZ-CD1 4.35Å; I190-L192 HydrophobicContact CG2-CD1 4.3Å; I190-L192 HydrophobicContact CG2-CD2 3.42Å; I190-L192 VanDerWaalsContact CG2-CD2 3.42Å; I190-L192 HydrophobicContact CG2-CG 3.74Å; I190-V219 HydrophobicContact CD1-CG1 4.32Å; I190-V219 HydrophobicContact CD1-CG2 3.73Å; I190-V219 HydrophobicContact CG1-CG2 4.46Å; I190-V219 HydrophobicContact CG2-CG2 4.49Å; I190-L231 HydrophobicContact CG2-CD1 4.48Å
191E88.2Confident87.1Confident77 Ų7763 Ų6336%0.3632%0.324SS..EExtended strand (participates in β ladder)trans-108.1124.6171.7-68.7179.1176.300107.9K189 T228 V229 T230 L231K189-E191 IonicContact NZ-OE1 3.36Å; K189-E191 PolarHBondContact NZ-OE1 3.36Å; E191-T228 HydrophobicContact CB-CG2 4.41Å; E191-T228 HydrophobicContact CG-CG2 3.84Å; E191-V229 PolarHBondContact N-O 3.07Å; E191-T230 CarbonylContact O-C 3.59Å; E191-T230 WeakPolarHBondContact O-CA 3.37Å; E191-L231 PolarHBondContact O-N 2.8Å
192L87.9Confident86.8Confident50 Ų5068.6 Ų68.626%0.26235%0.345SS..EExtended strand (participates in β ladder)trans-123.8139.5-172.3-56.4168.3000109.1I179 I190 V196 L197 L231I179-L192 HydrophobicContact CD1-CD1 3.53Å; I190-L192 HydrophobicContact CG2-CD1 4.3Å; I190-L192 HydrophobicContact CG2-CD2 3.42Å; I190-L192 VanDerWaalsContact CG2-CD2 3.42Å; I190-L192 HydrophobicContact CG2-CG 3.74Å; L192-V196 HydrophobicContact CD2-CG1 4.26Å; L192-L197 HydrophobicContact CD1-CD1 4.04Å; L192-L197 HydrophobicContact CD1-CD2 3.94Å; L192-L197 HydrophobicContact CD1-CG 3.98Å; L192-L231 HydrophobicContact CD2-CB 3.76Å; L192-L231 HydrophobicContact CD2-CD1 3.53Å; L192-L231 HydrophobicContact CD2-CG 3.88Å
193D80.2Confident86.6Confident77 Ų7767 Ų6741%0.41233%0.325SS..  trans-67.8146.3159-65.3-20.2000109.6Q195 V196 L231 K232D193-Q195 PolarHBondContact O-N 3.45Å; D193-V196 HydrophobicContact CB-CG2 4.05Å; D193-V196 PolarHBondContact O-N 2.99Å; D193-L231 PolarHBondContact N-O 3.24Å; D193-K232 WeakPolarHBondContact OD2-CA 3.49Å
194D73.9Confident86.4Confident156 Ų15662.4 Ų62.483%0.83431%0.305SS*.Hα-helixtrans-53.9-30.4-173.7-69.7-28.3000113.3
195Q84.9Confident86Confident116 Ų11666.8 Ų66.854%0.54233%0.328SS..Hα-helixtrans-87.1-14.6-174.8-65.7179.4-3200114.2D193 L197 D198 S199 E233D193-Q195 PolarHBondContact O-N 3.45Å; Q195-L197 PolarHBondContact O-N 3.33Å; Q195-D198 PolarHBondContact O-N 3.13Å; Q195-S199 WeakPolarHBondContact O-CB 3.48Å; Q195-S199 PolarHBondContact O-N 3.45Å; Q195-S199 PolarHBondContact O-OG 2.68Å; Q195-E233 PolarHBondContact OE1-OE2 3.49Å
196V88Confident85.7Confident1 Ų166.1 Ų66.11%0.00633%0.327CS..Hα-helixtrans-60.7-46.9-174.9169.80000111L192 D193 S199 I200 L231 E233 L236L192-V196 HydrophobicContact CD2-CG1 4.26Å; D193-V196 HydrophobicContact CB-CG2 4.05Å; D193-V196 PolarHBondContact O-N 2.99Å; V196-S199 PolarHBondContact O-N 3.41Å; V196-I200 HydrophobicContact CG1-CD1 4.17Å; V196-I200 WeakPolarHBondContact O-CG1 3.38Å; V196-I200 PolarHBondContact O-N 3.13Å; V196-L231 HydrophobicContact CG1-CB 4.27Å; V196-L231 HydrophobicContact CG2-CB 4.5Å; V196-E233 HydrophobicContact CG2-CB 4.47Å; V196-L236 HydrophobicContact CG1-CD2 4.24Å
197L91Very high85.9Confident15 Ų1563 Ų638%0.07931%0.306CS..Hα-helixtrans-67.9-37.7-179.5-62-174000112L172 L175 K176 I179 L192 Q195 S199 I200 A201 L215L172-L197 VanDerWaalsContact CD2-C 3.47Å; L172-L197 HydrophobicContact CD2-CB 3.63Å; L172-L197 WeakPolarHBondContact CD2-O 3.49Å; L175-L197 HydrophobicContact CB-CD2 4.09Å; L175-L197 HydrophobicContact CD1-CB 4.44Å; L175-L197 HydrophobicContact CD1-CD2 4.21Å; K176-L197 HydrophobicContact CG-CD1 3.88Å; I179-L197 HydrophobicContact CD1-CD1 4.28Å; I179-L197 HydrophobicContact CD1-CD2 3.97Å; L192-L197 HydrophobicContact CD1-CD1 4.04Å; L192-L197 HydrophobicContact CD1-CD2 3.94Å; L192-L197 HydrophobicContact CD1-CG 3.98Å; Q195-L197 PolarHBondContact O-N 3.33Å; L197-S199 VanDerWaalsContact C-N 3.33Å; L197-S199 PolarHBondContact O-N 3.22Å; L197-I200 PolarHBondContact O-N 3.02Å; L197-A201 WeakPolarHBondContact O-CB 3.49Å; L197-A201 PolarHBondContact O-N 3.2Å; L197-L215 HydrophobicContact CD2-CD1 4.36Å
198D89Confident86.4Confident64 Ų6454.5 Ų54.534%0.34227%0.271SS..Hα-helixtrans-62.9-41.6175.8-71.2-22.8000111.3L172 Q195 A201 K202L172-D198 VanDerWaalsContact CD1-OD1 3.3Å; L172-D198 WeakPolarHBondContact CD1-OD1 3.46Å; L172-D198 WeakPolarHBondContact CD2-OD1 3.4Å; Q195-D198 PolarHBondContact O-N 3.13Å; D198-A201 PolarHBondContact O-N 3.23Å; D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 VanDerWaalsContact O-CG 3.27Å; D198-K202 WeakPolarHBondContact O-CG 3.5Å; D198-K202 PolarHBondContact O-N 3.47Å
199S86.3Confident86.6Confident20 Ų2057.4 Ų57.414%0.1428%0.277CS..Hα-helixtrans-67.5-38.9177.7-74.60000111.8Q195 V196 L197 Y203 E233Q195-S199 WeakPolarHBondContact O-CB 3.48Å; Q195-S199 PolarHBondContact O-N 3.45Å; Q195-S199 PolarHBondContact O-OG 2.68Å; V196-S199 PolarHBondContact O-N 3.41Å; L197-S199 VanDerWaalsContact C-N 3.33Å; L197-S199 PolarHBondContact O-N 3.22Å; S199-Y203 WeakPolarHBondContact O-CB 3.28Å; S199-Y203 PolarHBondContact O-N 3.46Å; S199-E233 PolarHBondContact OG-OE1 3.28Å
200I88.9Confident86.7Confident0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-64.6-44171.1-64173.1000111.1L175 V196 L197 K202 Y203 A204 A211 T214 L215 L236L175-I200 HydrophobicContact CD1-CB 4.05Å; L175-I200 HydrophobicContact CD1-CG2 3.81Å; L175-I200 HydrophobicContact CD2-CG2 4.13Å; V196-I200 HydrophobicContact CG1-CD1 4.17Å; V196-I200 WeakPolarHBondContact O-CG1 3.38Å; V196-I200 PolarHBondContact O-N 3.13Å; L197-I200 PolarHBondContact O-N 3.02Å; I200-K202 PolarHBondContact O-N 3.01Å; I200-Y203 PolarHBondContact O-N 3.12Å; I200-A204 VanDerWaalsContact O-CB 3.31Å; I200-A204 WeakPolarHBondContact O-CB 3.3Å; I200-A204 PolarHBondContact O-N 3.19Å; I200-A211 HydrophobicContact CG2-CB 4.3Å; I200-T214 HydrophobicContact CD1-CG2 4.45Å; I200-T214 HydrophobicContact CG1-CG2 3.97Å; I200-T214 HydrophobicContact CG2-CG2 4.15Å; I200-L215 HydrophobicContact CD1-CB 4.25Å; I200-L215 HydrophobicContact CD1-CD1 4.16Å; I200-L236 HydrophobicContact CD1-CD1 4.27Å; I200-L236 HydrophobicContact CG1-CD1 3.99Å; I200-L236 HydrophobicContact CG1-CD2 3.76Å; I200-L236 HydrophobicContact CG1-CG 4.49Å
201A88.4Confident86.8Confident3 Ų352.2 Ų52.23%0.02526%0.257CS..Hα-helixtrans-62.1-44.7-179.200000111.9I171 L172 L197 D198 Y203 A204 N205I171-A201 HydrophobicContact CB-CB 4.06Å; I171-A201 HydrophobicContact CG2-CB 3.76Å; L172-A201 HydrophobicContact CD2-CB 4.03Å; L172-A201 HydrophobicContact CG-CB 4.04Å; L197-A201 WeakPolarHBondContact O-CB 3.49Å; L197-A201 PolarHBondContact O-N 3.2Å; D198-A201 PolarHBondContact O-N 3.23Å; A201-Y203 VanDerWaalsContact C-N 3.34Å; A201-Y203 PolarHBondContact O-N 3.37Å; A201-A204 PolarHBondContact O-N 3.3Å; A201-N205 PolarHBondContact O-N 3.17Å
202K84Confident87.1Confident149 Ų14949.1 Ų49.165%0.64824%0.243SC*.Hα-helixtrans-62-40.6173.9-72.4169.1-173.1166.30112.2D198 I200D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 VanDerWaalsContact O-CG 3.27Å; D198-K202 WeakPolarHBondContact O-CG 3.5Å; D198-K202 PolarHBondContact O-N 3.47Å; I200-K202 PolarHBondContact O-N 3.01Å
203Y83.2Confident87.3Confident79 Ų7950.1 Ų50.131%0.3125%0.248SC..Hα-helixtrans-67.3-43.4178174.3-104.6000112.5S199 I200 A201 N205 V210 T214 I240S199-Y203 WeakPolarHBondContact O-CB 3.28Å; S199-Y203 PolarHBondContact O-N 3.46Å; I200-Y203 PolarHBondContact O-N 3.12Å; A201-Y203 VanDerWaalsContact C-N 3.34Å; A201-Y203 PolarHBondContact O-N 3.37Å; Y203-N205 PolarHBondContact O-N 2.9Å; Y203-V210 HydrophobicContact CD1-CG1 4.04Å; Y203-V210 HydrophobicContact CE1-CG1 3.74Å; Y203-T214 HydrophobicContact CD1-CG2 4.25Å; Y203-T214 WeakPolarHBondContact CE1-OG1 3.35Å; Y203-I240 HydrophobicContact CD1-CD1 4.41Å; Y203-I240 HydrophobicContact CD1-CG1 4.37Å; Y203-I240 HydrophobicContact CD2-CB 4.32Å; Y203-I240 HydrophobicContact CD2-CD1 4.47Å; Y203-I240 HydrophobicContact CD2-CG1 4.3Å; Y203-I240 HydrophobicContact CD2-CG2 3.34Å; Y203-I240 HydrophobicContact CE2-CB 4.42Å; Y203-I240 HydrophobicContact CE2-CG2 3.68Å; Y203-I240 HydrophobicContact CG-CD1 4.02Å; Y203-I240 HydrophobicContact CG-CG1 4.17Å; Y203-I240 HydrophobicContact CG-CG2 3.94Å
204A84.6Confident87.8Confident0 Ų046.7 Ų46.70%023%0.23CC..Hα-helixtrans-62.9-24.9-179.100000112.9I171 I200 A201 G206 D207 V210 A211I171-A204 HydrophobicContact CG2-CB 4.42Å; I200-A204 VanDerWaalsContact O-CB 3.31Å; I200-A204 WeakPolarHBondContact O-CB 3.3Å; I200-A204 PolarHBondContact O-N 3.19Å; A201-A204 PolarHBondContact O-N 3.3Å; A204-G206 VanDerWaalsContact C-N 3.26Å; A204-G206 PolarHBondContact O-N 3.07Å; A204-D207 PolarHBondContact O-N 3.22Å; A204-V210 HydrophobicContact CB-CB 4.47Å; A204-V210 HydrophobicContact CB-CG1 4.37Å; A204-A211 HydrophobicContact CB-CB 3.57Å
205N82.2Confident88.6Confident91 Ų9139.3 Ų39.349%0.48719%0.19SC..THydrogen-bonded Turntrans47.851.6177.1-167.249.5000110.9Q165 A201 Y203 D207Q165-N205 PolarHBondContact NE2-O 2.99Å; A201-N205 PolarHBondContact O-N 3.17Å; Y203-N205 PolarHBondContact O-N 2.9Å; N205-D207 VanDerWaalsContact C-N 3.33Å; N205-D207 PolarHBondContact O-N 2.7Å
206G85.4Confident89Confident6 Ų635.4 Ų35.46%0.06217%0.172CC..THydrogen-bonded Turntrans73.67.1178.600000117.5L166 A204L166-G206 WeakPolarHBondContact CB-O 3.35Å; L166-G206 PolarHBondContact N-O 3.35Å; L166-G206 WeakPolarHBondContact O-CA 3.14Å; A204-G206 VanDerWaalsContact C-N 3.26Å; A204-G206 PolarHBondContact O-N 3.07Å
207D90Very high88.9Confident11 Ų1138.7 Ų38.76%0.05919%0.188CC..  trans-95107.9169.4-174.7-40.1000110.9G61 A204 N205 R209 V210 A211G61-D207 VanDerWaalsContact CA-OD1 3.24Å; G61-D207 WeakPolarHBondContact CA-OD1 3.45Å; A204-D207 PolarHBondContact O-N 3.22Å; N205-D207 VanDerWaalsContact C-N 3.33Å; N205-D207 PolarHBondContact O-N 2.7Å; D207-R209 VanDerWaalsContact C-N 3.29Å; D207-R209 PolarHBondContact O-N 3.46Å; D207-R209 WeakPolarHBondContact OD1-CA 3.21Å; D207-R209 VanDerWaalsContact OD1-CB 3.23Å; D207-R209 WeakPolarHBondContact OD1-CB 3.32Å; D207-R209 PolarHBondContact OD1-N 3.13Å; D207-V210 HydrophobicContact CB-CB 4.05Å; D207-V210 HydrophobicContact CB-CG2 3.9Å; D207-V210 PolarHBondContact O-N 2.89Å; D207-V210 PolarHBondContact OD1-N 2.99Å; D207-A211 PolarHBondContact O-N 2.77Å
208A93.9Very high88.8Confident10 Ų1038.2 Ų38.28%0.08319%0.186CC..Hα-helixtrans-63.8-30.4179.600000114G61 L166 I171 L174 A211 L212G61-A208 WeakPolarHBondContact O-CB 3.36Å; L166-A208 HydrophobicContact CD1-CB 3.69Å; I171-A208 HydrophobicContact CD1-CB 4.24Å; L174-A208 HydrophobicContact CD1-CB 3.56Å; L174-A208 HydrophobicContact CD2-CB 4.24Å; A208-A211 PolarHBondContact O-N 2.99Å; A208-L212 WeakPolarHBondContact O-CB 3.25Å; A208-L212 VanDerWaalsContact O-CG 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.48Å; A208-L212 PolarHBondContact O-N 3.4Å
209R91.8Very high88.9Confident131 Ų13135.3 Ų35.349%0.49417%0.171SC..Hα-helixtrans-68.9-43.4178.4-175-172.9-64.4157.1-2.1109.8A18 D207 N213A18-R209 HydrophobicContact CB-CG 4.4Å; D207-R209 VanDerWaalsContact C-N 3.29Å; D207-R209 PolarHBondContact O-N 3.46Å; D207-R209 WeakPolarHBondContact OD1-CA 3.21Å; D207-R209 VanDerWaalsContact OD1-CB 3.23Å; D207-R209 WeakPolarHBondContact OD1-CB 3.32Å; D207-R209 PolarHBondContact OD1-N 3.13Å; R209-N213 WeakPolarHBondContact O-CB 3.36Å; R209-N213 PolarHBondContact O-N 2.72Å; R209-N213 PolarHBondContact O-ND2 3.09Å; R209-N213 PolarHBondContact O-OD1 2.67Å
210V89.6Confident88.8Confident41 Ų4139.3 Ų39.325%0.24819%0.19CC..Hα-helixtrans-60.8-48173.5176.10000109.8Y203 A204 D207 L212 N213 T214Y203-V210 HydrophobicContact CD1-CG1 4.04Å; Y203-V210 HydrophobicContact CE1-CG1 3.74Å; A204-V210 HydrophobicContact CB-CB 4.47Å; A204-V210 HydrophobicContact CB-CG1 4.37Å; D207-V210 HydrophobicContact CB-CB 4.05Å; D207-V210 HydrophobicContact CB-CG2 3.9Å; D207-V210 PolarHBondContact O-N 2.89Å; D207-V210 PolarHBondContact OD1-N 2.99Å; V210-L212 PolarHBondContact O-N 3.07Å; V210-N213 PolarHBondContact O-N 2.73Å; V210-T214 WeakPolarHBondContact O-CB 3.35Å; V210-T214 PolarHBondContact O-N 3.21Å; V210-T214 PolarHBondContact O-OG1 3.02Å
211A92.4Very high88.6Confident0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-54.6-50.7178.200000112.7I171 L175 I200 A204 D207 A208 T214 L215I171-A211 HydrophobicContact CD1-CB 4.44Å; I171-A211 HydrophobicContact CG2-CB 3.57Å; L175-A211 HydrophobicContact CD2-CB 4.08Å; L175-A211 HydrophobicContact CG-CB 4.49Å; I200-A211 HydrophobicContact CG2-CB 4.3Å; A204-A211 HydrophobicContact CB-CB 3.57Å; D207-A211 PolarHBondContact O-N 2.77Å; A208-A211 PolarHBondContact O-N 2.99Å; A211-T214 PolarHBondContact O-N 3.03Å; A211-L215 WeakPolarHBondContact O-CB 3.45Å; A211-L215 PolarHBondContact O-N 3.11Å
212L94.2Very high88.4Confident12 Ų1244.5 Ų44.56%0.06322%0.22CC..Hα-helixtrans-66.5-38.8-179.6-70.7172.8000112.6L17 A18 V21 L174 A178 A208 V210 L215 E216L17-L212 HydrophobicContact CD2-CB 4.28Å; L17-L212 HydrophobicContact CD2-CD2 3.96Å; L17-L212 WeakPolarHBondContact CD2-O 3.4Å; L17-L212 HydrophobicContact CG-CD2 4.37Å; A18-L212 HydrophobicContact CB-CB 4.14Å; A18-L212 HydrophobicContact CB-CD1 4.03Å; V21-L212 HydrophobicContact CG2-CD1 3.82Å; V21-L212 HydrophobicContact CG2-CD2 3.94Å; L174-L212 HydrophobicContact CD2-CD1 3.89Å; L174-L212 HydrophobicContact CD2-CD2 3.57Å; L174-L212 HydrophobicContact CD2-CG 3.57Å; A178-L212 HydrophobicContact CB-CD2 3.52Å; A208-L212 WeakPolarHBondContact O-CB 3.25Å; A208-L212 VanDerWaalsContact O-CG 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.48Å; A208-L212 PolarHBondContact O-N 3.4Å; V210-L212 PolarHBondContact O-N 3.07Å; L212-L215 PolarHBondContact O-N 2.99Å; L212-E216 WeakPolarHBondContact O-CB 3.22Å; L212-E216 PolarHBondContact O-N 2.76Å
213N91.9Very high88.4Confident70 Ų7041.2 Ų41.237%0.37421%0.208SC..Hα-helixtrans-66.4-41.5176.5-71.9-9.2000111.3R209 V210 E216 M217R209-N213 WeakPolarHBondContact O-CB 3.36Å; R209-N213 PolarHBondContact O-N 2.72Å; R209-N213 PolarHBondContact O-ND2 3.09Å; R209-N213 PolarHBondContact O-OD1 2.67Å; V210-N213 PolarHBondContact O-N 2.73Å; N213-E216 PolarHBondContact O-N 3.29Å; N213-M217 WeakPolarHBondContact O-CB 3.41Å; N213-M217 PolarHBondContact O-N 3.12Å
214T89.7Confident88.5Confident6 Ų643.7 Ų43.74%0.03722%0.22CC..Hα-helixtrans-63.8-42.4175.6-58.30000110.9I200 Y203 V210 A211 M217 A218 L236 I240I200-T214 HydrophobicContact CD1-CG2 4.45Å; I200-T214 HydrophobicContact CG1-CG2 3.97Å; I200-T214 HydrophobicContact CG2-CG2 4.15Å; Y203-T214 HydrophobicContact CD1-CG2 4.25Å; Y203-T214 WeakPolarHBondContact CE1-OG1 3.35Å; V210-T214 WeakPolarHBondContact O-CB 3.35Å; V210-T214 PolarHBondContact O-N 3.21Å; V210-T214 PolarHBondContact O-OG1 3.02Å; A211-T214 PolarHBondContact O-N 3.03Å; T214-M217 PolarHBondContact O-N 3.41Å; T214-A218 WeakPolarHBondContact O-CB 3.49Å; T214-A218 PolarHBondContact O-N 3.15Å; T214-L236 HydrophobicContact CG2-CD1 4.25Å; T214-I240 HydrophobicContact CG2-CD1 4.19Å; T214-I240 HydrophobicContact CG2-CG1 4.2Å
215L92Very high88.6Confident0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-61.4-46.6174.1177.864.5000111.9L17 L175 A178 I179 F185 L197 I200 A211 L212 M217 A218 V219L17-L215 HydrophobicContact CD2-CB 4.47Å; L17-L215 HydrophobicContact CD2-CD2 4.05Å; L17-L215 HydrophobicContact CD2-CG 4.33Å; L175-L215 HydrophobicContact CD2-CB 3.8Å; L175-L215 HydrophobicContact CD2-CD2 3.7Å; L175-L215 HydrophobicContact CD2-CG 4.27Å; A178-L215 HydrophobicContact CB-CD2 4.28Å; I179-L215 HydrophobicContact CD1-CD1 4.34Å; I179-L215 HydrophobicContact CD1-CD2 4.31Å; I179-L215 HydrophobicContact CG1-CD1 4.49Å; I179-L215 HydrophobicContact CG1-CD2 4.01Å; F185-L215 HydrophobicContact CE2-CD2 4.13Å; F185-L215 HydrophobicContact CE2-CG 4.25Å; F185-L215 HydrophobicContact CZ-CD2 4.48Å; F185-L215 HydrophobicContact CZ-CG 4.18Å; L197-L215 HydrophobicContact CD2-CD1 4.36Å; I200-L215 HydrophobicContact CD1-CB 4.25Å; I200-L215 HydrophobicContact CD1-CD1 4.16Å; A211-L215 WeakPolarHBondContact O-CB 3.45Å; A211-L215 PolarHBondContact O-N 3.11Å; L212-L215 PolarHBondContact O-N 2.99Å; L215-M217 VanDerWaalsContact C-N 3.32Å; L215-M217 PolarHBondContact O-N 3.03Å; L215-A218 PolarHBondContact O-N 3.09Å; L215-V219 HydrophobicContact CD1-CG2 4.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.39Å; L215-V219 PolarHBondContact O-N 3.49Å
216E91.6Very high88.7Confident34 Ų3452.3 Ų52.316%0.15927%0.271CS..Hα-helixtrans-59.1-45.3177-175.5163.3-127.100111.2L17 R20 L212 N213 V219 L220L17-E216 HydrophobicContact CB-CB 3.85Å; L17-E216 VanDerWaalsContact CB-CD 3.48Å; L17-E216 HydrophobicContact CB-CG 4.11Å; L17-E216 WeakPolarHBondContact CB-OE1 3.42Å; L17-E216 HydrophobicContact CD2-CB 4.13Å; L17-E216 PolarHBondContact N-OE1 3.25Å; L17-E216 PolarHBondContact N-OE2 3.04Å; R20-E216 IonicContact CZ-OE1 3.68Å; R20-E216 IonicContact NH2-OE1 2.79Å; R20-E216 PolarHBondContact NH2-OE1 3.17Å; L212-E216 WeakPolarHBondContact O-CB 3.22Å; L212-E216 PolarHBondContact O-N 2.76Å; N213-E216 PolarHBondContact O-N 3.29Å; E216-V219 PolarHBondContact O-N 3.44Å; E216-L220 HydrophobicContact CG-CD1 4.13Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 VanDerWaalsContact O-CG 3.26Å; E216-L220 WeakPolarHBondContact O-CG 3.42Å; E216-L220 PolarHBondContact O-N 3.38Å
217M87.9Confident88.8Confident71 Ų7157.3 Ų57.335%0.3530%0.296SS..Hα-helixtrans-63.8-41.9177-174.8172.25900112.1N213 T214 L215 L220 N221 L239N213-M217 WeakPolarHBondContact O-CB 3.41Å; N213-M217 PolarHBondContact O-N 3.12Å; T214-M217 PolarHBondContact O-N 3.41Å; L215-M217 VanDerWaalsContact C-N 3.32Å; L215-M217 PolarHBondContact O-N 3.03Å; M217-L220 PolarHBondContact O-N 3.15Å; M217-N221 PolarHBondContact O-N 2.9Å; M217-N221 VanDerWaalsContact O-N 3.11Å; M217-N221 PolarHBondContact O-ND2 3.38Å; M217-L239 HydrophobicContact CE-CB 4.07Å; M217-L239 HydrophobicContact CE-CD2 4.43Å; M217-L239 HydrophobicContact CG-CD2 4.2Å; M217-L239 HydrophobicContact SD-CD2 4.24Å
218A89Confident88.8Confident4 Ų458.4 Ų58.43%0.03330%0.304CS..Hα-helixtrans-60.3-49175.400000110.8T214 L215 L220 N221 G222 L231 L236 L239T214-A218 WeakPolarHBondContact O-CB 3.49Å; T214-A218 PolarHBondContact O-N 3.15Å; L215-A218 PolarHBondContact O-N 3.09Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 2.68Å; A218-N221 CarbonylContact O-C 3.6Å; A218-N221 PolarHBondContact O-N 3.26Å; A218-G222 PolarHBondContact O-N 2.92Å; A218-L231 HydrophobicContact CB-CD1 3.8Å; A218-L231 HydrophobicContact CB-CD2 4.36Å; A218-L231 WeakPolarHBondContact O-CD2 3.43Å; A218-L236 HydrophobicContact CB-CD1 4Å; A218-L239 HydrophobicContact CB-CD1 4.48Å
219V89.3Confident88.5Confident3 Ų358 Ų582%0.01830%0.3CS..Hα-helixtrans-62.3-38.2177.7176.20000112.2F185 L188 I190 L215 E216 N221 V229 L231F185-V219 HydrophobicContact CD1-CB 4.24Å; F185-V219 HydrophobicContact CD1-CG1 3.68Å; F185-V219 HydrophobicContact CD1-CG2 4.41Å; F185-V219 HydrophobicContact CE1-CB 3.64Å; F185-V219 HydrophobicContact CE1-CG1 3.61Å; F185-V219 HydrophobicContact CE1-CG2 3.81Å; F185-V219 HydrophobicContact CE2-CG2 4.11Å; F185-V219 HydrophobicContact CG-CG1 4.41Å; F185-V219 HydrophobicContact CZ-CB 3.96Å; F185-V219 HydrophobicContact CZ-CG1 4.29Å; F185-V219 HydrophobicContact CZ-CG2 3.61Å; L188-V219 HydrophobicContact CD1-CG1 4.36Å; I190-V219 HydrophobicContact CD1-CG1 4.32Å; I190-V219 HydrophobicContact CD1-CG2 3.73Å; I190-V219 HydrophobicContact CG1-CG2 4.46Å; I190-V219 HydrophobicContact CG2-CG2 4.49Å; L215-V219 HydrophobicContact CD1-CG2 4.28Å; L215-V219 WeakPolarHBondContact O-CG2 3.39Å; L215-V219 PolarHBondContact O-N 3.49Å; E216-V219 PolarHBondContact O-N 3.44Å; V219-N221 VanDerWaalsContact C-N 3.31Å; V219-N221 PolarHBondContact O-N 3.45Å; V219-V229 HydrophobicContact CG1-CG1 4.35Å; V219-V229 HydrophobicContact CG1-CG2 4.4Å; V219-V229 WeakPolarHBondContact O-CG1 3.34Å; V219-L231 HydrophobicContact CG2-CD1 3.8Å
220L85.9Confident88.3Confident105 Ų10553.4 Ų53.455%0.5529%0.287SS..Hα-helixtrans-64.9-35.2178-74.7172.5000112.8E216 M217 A218 K224E216-L220 HydrophobicContact CG-CD1 4.13Å; E216-L220 WeakPolarHBondContact O-CB 3.47Å; E216-L220 VanDerWaalsContact O-CG 3.26Å; E216-L220 WeakPolarHBondContact O-CG 3.42Å; E216-L220 PolarHBondContact O-N 3.38Å; M217-L220 PolarHBondContact O-N 3.15Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 2.68Å; L220-K224 VanDerWaalsContact O-CE 3.31Å; L220-K224 WeakPolarHBondContact O-CE 3.48Å; L220-K224 PolarHBondContact O-NZ 3.18Å
221N84Confident88.2Confident99 Ų9951.9 Ų51.953%0.52928%0.277SS..Hα-helixtrans-99.2-1.4-177.8-65.9-71.2000114.4M217 A218 V219 L239M217-N221 PolarHBondContact O-N 2.9Å; M217-N221 VanDerWaalsContact O-N 3.11Å; M217-N221 PolarHBondContact O-ND2 3.38Å; A218-N221 CarbonylContact O-C 3.6Å; A218-N221 PolarHBondContact O-N 3.26Å; V219-N221 VanDerWaalsContact C-N 3.31Å; V219-N221 PolarHBondContact O-N 3.45Å; N221-L239 HydrophobicContact CB-CD1 4.36Å
222G83.6Confident87.6Confident12 Ų1255.5 Ų55.512%0.12429%0.293CS..SBendtrans-64.3164.3179.100000114.1A218 K224A218-G222 PolarHBondContact O-N 2.92Å; G222-K224 WeakPolarHBondContact O-CG 3.4Å; G222-K224 PolarHBondContact O-N 3.04Å
223E84.4Confident86.9Confident81 Ų8157.5 Ų57.538%0.37930%0.302SS..EExtended strand (participates in β ladder)trans-70.6112.7175.1-66.6-176.2162.400109.4V229 T230 K232 K235E223-V229 WeakPolarHBondContact O-CA 3.44Å; E223-T230 PolarHBondContact N-O 3.15Å; E223-T230 VanDerWaalsContact N-O 3.1Å; E223-T230 PolarHBondContact O-N 3.4Å; E223-K232 IonicContact OE1-NZ 2.69Å; E223-K232 IonicContact OE2-NZ 3.78Å; E223-K232 PolarHBondContact OE2-NZ 2.95Å; E223-K235 VanDerWaalsContact CD-NZ 3.32Å; E223-K235 WeakPolarHBondContact OE1-CE 3.31Å; E223-K235 IonicContact OE1-NZ 2.81Å; E223-K235 PolarHBondContact OE1-NZ 3.18Å
224K85.5Confident86.1Confident130 Ų13058.8 Ų58.857%0.56531%0.309SS*.EExtended strand (participates in β ladder)trans-96.3126-177.5-54.7-171.8-177.31630110.6L220 G222 V229L220-K224 VanDerWaalsContact O-CE 3.31Å; L220-K224 WeakPolarHBondContact O-CE 3.48Å; L220-K224 PolarHBondContact O-NZ 3.18Å; G222-K224 WeakPolarHBondContact O-CG 3.4Å; G222-K224 PolarHBondContact O-N 3.04Å; K224-V229 HydrophobicContact CG-CG2 4.14Å
225K85.5Confident85.3Confident174 Ų17462.3 Ų62.376%0.75732%0.323SS*.EExtended strand (participates in β ladder)trans-131.5105.3170.2-170.6179.3-179.4-178.40108.9D227 T228K225-D227 PolarHBondContact O-N 3.28Å; K225-T228 PolarHBondContact N-O 2.92Å; K225-T228 PolarHBondContact O-N 2.91Å
226A85.5Confident84.6Confident98 Ų9862.5 Ų62.581%0.8132%0.324SS*.THydrogen-bonded Turntrans53.6-124.6-169.800000111T228A226-T228 VanDerWaalsContact C-N 3.3Å
227D87.6Confident83.4Confident111 Ų11165.5 Ų65.559%0.59434%0.341SS*.THydrogen-bonded Turntrans-88.57179-65.7-30.9000113L188 K189 K225L188-D227 CarbonylContact C-O 3.53Å; L188-D227 WeakPolarHBondContact CA-O 3.32Å; K189-D227 PolarHBondContact N-O 3.2Å; K225-D227 PolarHBondContact O-N 3.28Å
228T88.4Confident82.6Confident34 Ų3467.9 Ų67.921%0.20936%0.355CS..EExtended strand (participates in β ladder)trans-103.9132.9177.6-56.10000111K189 E191 K225 A226K189-T228 CarbonylContact O-C 3.55Å; K189-T228 VanDerWaalsContact O-CA 3.29Å; K189-T228 WeakPolarHBondContact O-CA 3.38Å; E191-T228 HydrophobicContact CB-CG2 4.41Å; E191-T228 HydrophobicContact CG-CG2 3.84Å; K225-T228 PolarHBondContact N-O 2.92Å; K225-T228 PolarHBondContact O-N 2.91Å; A226-T228 VanDerWaalsContact C-N 3.3Å
229V88.8Confident81.6Confident1 Ų170.4 Ų70.41%0.00637%0.368CS..EExtended strand (participates in β ladder)trans-114121.6170.7-174.90000108.7L188 K189 E191 V219 E223 K224 L231L188-V229 HydrophobicContact CD1-CG2 4.28Å; L188-V229 HydrophobicContact CD2-CG2 4.23Å; K189-V229 PolarHBondContact O-N 3.01Å; E191-V229 PolarHBondContact N-O 3.07Å; V219-V229 HydrophobicContact CG1-CG1 4.35Å; V219-V229 HydrophobicContact CG1-CG2 4.4Å; V219-V229 WeakPolarHBondContact O-CG1 3.34Å; E223-V229 WeakPolarHBondContact O-CA 3.44Å; K224-V229 HydrophobicContact CG-CG2 4.14Å; V229-L231 HydrophobicContact CG1-CD2 4.05Å
230T88.2Confident80.7Confident36 Ų3671.5 Ų71.522%0.22137%0.374CS..EExtended strand (participates in β ladder)trans-100.5125.1175.5-52.10000109.9E191 E223E191-T230 CarbonylContact O-C 3.59Å; E191-T230 WeakPolarHBondContact O-CA 3.37Å; E223-T230 PolarHBondContact N-O 3.15Å; E223-T230 VanDerWaalsContact N-O 3.1Å; E223-T230 PolarHBondContact O-N 3.4Å
231L85.8Confident79.3Confident9 Ų973.9 Ų73.95%0.04738%0.382CS..EExtended strand (participates in β ladder)trans-109.3124175-56.9-174.3000110.4I190 E191 L192 D193 V196 A218 V219 V229I190-L231 HydrophobicContact CG2-CD1 4.48Å; E191-L231 PolarHBondContact O-N 2.8Å; L192-L231 HydrophobicContact CD2-CB 3.76Å; L192-L231 HydrophobicContact CD2-CD1 3.53Å; L192-L231 HydrophobicContact CD2-CG 3.88Å; D193-L231 PolarHBondContact N-O 3.24Å; V196-L231 HydrophobicContact CG1-CB 4.27Å; V196-L231 HydrophobicContact CG2-CB 4.5Å; A218-L231 HydrophobicContact CB-CD1 3.8Å; A218-L231 HydrophobicContact CB-CD2 4.36Å; A218-L231 WeakPolarHBondContact O-CD2 3.43Å; V219-L231 HydrophobicContact CG2-CD1 3.8Å; V229-L231 HydrophobicContact CG1-CD2 4.05Å
232K81.6Confident77.7Confident76 Ų7679.9 Ų79.933%0.3340%0.397SS..  trans-112149.3176.1-64.4175.9-178.2155.70109.6D193 E223 D234 L236D193-K232 WeakPolarHBondContact OD2-CA 3.49Å; E223-K232 IonicContact OE1-NZ 2.69Å; E223-K232 IonicContact OE2-NZ 3.78Å; E223-K232 PolarHBondContact OE2-NZ 2.95Å; K232-D234 VanDerWaalsContact C-N 3.34Å; K232-D234 WeakPolarHBondContact CB-OD1 3.31Å; K232-D234 PolarHBondContact O-N 3.07Å; K232-L236 PolarHBondContact O-N 3.26Å
233E79.1Confident76Confident54 Ų5487.2 Ų87.225%0.25243%0.425SS..Hα-helixtrans-65.3-35.1-175.7-174.6176.4-145.500113.1Q195 V196 S199 K235 L236 L237Q195-E233 PolarHBondContact OE1-OE2 3.49Å; V196-E233 HydrophobicContact CG2-CB 4.47Å; S199-E233 PolarHBondContact OG-OE1 3.28Å; E233-K235 PolarHBondContact O-N 3.11Å; E233-L236 VanDerWaalsContact O-CB 3.3Å; E233-L236 WeakPolarHBondContact O-CB 3.26Å; E233-L236 PolarHBondContact O-N 2.89Å; E233-L237 PolarHBondContact O-N 3.44Å; E233-L237 VanDerWaalsContact O-N 3.12Å
234D74.6Confident74.2Confident96 Ų9687.7 Ų87.751%0.51344%0.438SS..Hα-helixtrans-55.8-47.1179.261.4-19.6000112.2K232 L236 L237K232-D234 VanDerWaalsContact C-N 3.34Å; K232-D234 WeakPolarHBondContact CB-OD1 3.31Å; K232-D234 PolarHBondContact O-N 3.07Å; D234-L236 VanDerWaalsContact C-N 3.29Å; D234-L236 PolarHBondContact O-N 3.02Å; D234-L237 PolarHBondContact O-N 3.2Å
235K72.9Confident72.4Confident80 Ų8085.9 Ų85.935%0.34843%0.43SS..Hα-helixtrans-70.9-23.9176.8-62.7-165.3-176.8-172.50113.6E223 E233 L239E223-K235 VanDerWaalsContact CD-NZ 3.32Å; E223-K235 WeakPolarHBondContact OE1-CE 3.31Å; E223-K235 IonicContact OE1-NZ 2.81Å; E223-K235 PolarHBondContact OE1-NZ 3.18Å; E233-K235 PolarHBondContact O-N 3.11Å; K235-L239 PolarHBondContact O-N 3.1Å
236L76.3Confident70.6Confident4 Ų482 Ų822%0.02142%0.417CS..Hα-helixtrans-70.7-39.2176.8-174.968.7000110.6V196 I200 T214 A218 K232 E233 D234 D238 L239 I240V196-L236 HydrophobicContact CG1-CD2 4.24Å; I200-L236 HydrophobicContact CD1-CD1 4.27Å; I200-L236 HydrophobicContact CG1-CD1 3.99Å; I200-L236 HydrophobicContact CG1-CD2 3.76Å; I200-L236 HydrophobicContact CG1-CG 4.49Å; T214-L236 HydrophobicContact CG2-CD1 4.25Å; A218-L236 HydrophobicContact CB-CD1 4Å; K232-L236 PolarHBondContact O-N 3.26Å; E233-L236 VanDerWaalsContact O-CB 3.3Å; E233-L236 WeakPolarHBondContact O-CB 3.26Å; E233-L236 PolarHBondContact O-N 2.89Å; D234-L236 VanDerWaalsContact C-N 3.29Å; D234-L236 PolarHBondContact O-N 3.02Å; L236-D238 VanDerWaalsContact C-N 3.31Å; L236-D238 PolarHBondContact O-N 3.01Å; L236-L239 WeakPolarHBondContact O-CB 3.38Å; L236-L239 PolarHBondContact O-N 3.49Å; L236-L239 VanDerWaalsContact O-N 3.09Å; L236-I240 HydrophobicContact CD1-CD1 3.88Å; L236-I240 HydrophobicContact CD1-CG1 4.32Å; L236-I240 HydrophobicContact CD2-CD1 3.85Å; L236-I240 HydrophobicContact CG-CD1 3.53Å; L236-I240 HydrophobicContact CG-CG1 4.23Å; L236-I240 WeakPolarHBondContact O-CB 3.25Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 3.33Å
237L68.4Low68.5Low98 Ų9878.7 Ų78.751%0.51338%0.384SS..Hα-helixtrans-60.5-41.9178-68.7172.6000111.5E233 D234 L239 I240 E241E233-L237 PolarHBondContact O-N 3.44Å; E233-L237 VanDerWaalsContact O-N 3.12Å; D234-L237 PolarHBondContact O-N 3.2Å; L237-L239 PolarHBondContact O-N 2.84Å; L237-I240 PolarHBondContact O-N 3.04Å; L237-I240 VanDerWaalsContact O-N 3.11Å; L237-E241 WeakPolarHBondContact O-CG 3.39Å; L237-E241 PolarHBondContact O-N 3.01Å; L237-E241 VanDerWaalsContact O-N 3.07Å
238D69.2Low66.9Low120 Ų12076.8 Ų76.864%0.64237%0.374SS*.Hα-helixtrans-59.5-32.9174.9-67.6-16.2000112.7L236L236-D238 VanDerWaalsContact C-N 3.31Å; L236-D238 PolarHBondContact O-N 3.01Å
239L69.1Low65.1Low58 Ų5881.3 Ų81.330%0.30439%0.39SS..Hα-helixtrans-80.2-28177.4-69.9171.1000113.1M217 A218 N221 K235 L236 L237M217-L239 HydrophobicContact CE-CB 4.07Å; M217-L239 HydrophobicContact CE-CD2 4.43Å; M217-L239 HydrophobicContact CG-CD2 4.2Å; M217-L239 HydrophobicContact SD-CD2 4.24Å; A218-L239 HydrophobicContact CB-CD1 4.48Å; N221-L239 HydrophobicContact CB-CD1 4.36Å; K235-L239 PolarHBondContact O-N 3.1Å; L236-L239 WeakPolarHBondContact O-CB 3.38Å; L236-L239 PolarHBondContact O-N 3.49Å; L236-L239 VanDerWaalsContact O-N 3.09Å; L237-L239 PolarHBondContact O-N 2.84Å
240I70.5Confident63.6Low26 Ų2688.9 Ų88.913%0.13342%0.423CS..Hα-helixtrans-91.5-10.6-173.8-75.2-179.5000112.1Y203 T214 L236 L237 R242Y203-I240 HydrophobicContact CD1-CD1 4.41Å; Y203-I240 HydrophobicContact CD1-CG1 4.37Å; Y203-I240 HydrophobicContact CD2-CB 4.32Å; Y203-I240 HydrophobicContact CD2-CD1 4.47Å; Y203-I240 HydrophobicContact CD2-CG1 4.3Å; Y203-I240 HydrophobicContact CD2-CG2 3.34Å; Y203-I240 HydrophobicContact CE2-CB 4.42Å; Y203-I240 HydrophobicContact CE2-CG2 3.68Å; Y203-I240 HydrophobicContact CG-CD1 4.02Å; Y203-I240 HydrophobicContact CG-CG1 4.17Å; Y203-I240 HydrophobicContact CG-CG2 3.94Å; T214-I240 HydrophobicContact CG2-CD1 4.19Å; T214-I240 HydrophobicContact CG2-CG1 4.2Å; L236-I240 HydrophobicContact CD1-CD1 3.88Å; L236-I240 HydrophobicContact CD1-CG1 4.32Å; L236-I240 HydrophobicContact CD2-CD1 3.85Å; L236-I240 HydrophobicContact CG-CD1 3.53Å; L236-I240 HydrophobicContact CG-CG1 4.23Å; L236-I240 WeakPolarHBondContact O-CB 3.25Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 3.33Å; L237-I240 PolarHBondContact O-N 3.04Å; L237-I240 VanDerWaalsContact O-N 3.11Å; I240-R242 PolarHBondContact O-N 3.28Å
241E55.3Low62.3Low154 Ų15487.2 Ų87.272%0.7241%0.414SS*.  trans-46.4113.5-173.6-80.4-158.6146.400112.9L237L237-E241 WeakPolarHBondContact O-CG 3.39Å; L237-E241 PolarHBondContact O-N 3.01Å; L237-E241 VanDerWaalsContact O-N 3.07Å
242R50.8Low61.5Low225 Ų22589.2 Ų89.285%0.84942%0.423SS*.SBendtrans95.1102.5-176.7-57178.6-177.6-151.2-1.9114.1I240 S244I240-R242 PolarHBondContact O-N 3.28Å; R242-S244 VanDerWaalsContact C-N 3.25Å; R242-S244 PolarHBondContact O-N 3.28Å
243K47.7Very low61Low166 Ų16689.7 Ų89.772%0.72243%0.426SS*.  trans-50.595.1151.1-86.7-175.4174.3-179.80108.4F245K243-F245 VanDerWaalsContact C-N 3.27Å; K243-F245 PolarHBondContact O-N 2.86Å
244S46.8Very low60.9Low92 Ų9287.8 Ų87.864%0.64342%0.417SS*.  trans-67.296.5153.2157.50000104.8R242 L246R242-S244 VanDerWaalsContact C-N 3.25Å; R242-S244 PolarHBondContact O-N 3.28Å; S244-L246 PolarHBondContact O-N 2.76Å
245F48.3Very low61.2Low92 Ų9290.1 Ų90.140%0.40442%0.42SS..  trans-51.8116.3166.9-71.3-80.1000107K243 Y247 E282 S283K243-F245 VanDerWaalsContact C-N 3.27Å; K243-F245 PolarHBondContact O-N 2.86Å; F245-Y247 PolarHBondContact O-N 2.99Å; F245-E282 HydrophobicContact CD2-CB 4.14Å; F245-E282 HydrophobicContact CE2-CB 3.78Å; F245-E282 HydrophobicContact CZ-CB 4.3Å; F245-S283 WeakPolarHBondContact CB-OG 2.98Å
246L47.4Very low61.9Low91 Ų9189.5 Ų89.548%0.47642%0.42SS..  trans-63.990.3175.4-82.6161.3000107.1S244S244-L246 PolarHBondContact O-N 2.76Å
247Y42.7Very low62.6Low30 Ų3089.4 Ų89.412%0.11842%0.42CS..  trans-125.499.9179.5-159-102.9000108.7F245 K249 S283 E285F245-Y247 PolarHBondContact O-N 2.99Å; Y247-K249 HydrophobicContact CD1-CG 4.16Å; Y247-K249 PolarHBondContact O-N 3.33Å; Y247-S283 VanDerWaalsContact CB-CB 3.49Å; Y247-S283 WeakPolarHBondContact CD1-O 3.48Å; Y247-E285 HydrophobicContact CE1-CB 4.09Å; Y247-E285 WeakPolarHBondContact CE1-OE2 3.33Å; Y247-E285 PolarHBondContact OH-OE2 3.41Å
248D53.5Low63.8Low70 Ų7085.2 Ų85.237%0.37440%0.398SS..  trans-77.1107.7166.8-168.5-14.7000108.1K250 G251D248-K250 PolarHBondContact O-N 2.78Å; D248-K250 PolarHBondContact OD1-N 2.99Å; D248-G251 PolarHBondContact O-N 3.07Å; D248-G251 PolarHBondContact OD1-N 3.17Å
249K50.8Low65Low129 Ų12981.2 Ų81.256%0.56138%0.38SS*.THydrogen-bonded Turntrans-58.8-10.9176-68.2-172176-160.70113.6Y247 G284Y247-K249 HydrophobicContact CD1-CG 4.16Å; Y247-K249 PolarHBondContact O-N 3.33Å; K249-G284 WeakPolarHBondContact CE-O 2.85Å; K249-G284 PolarHBondContact NZ-O 2.85Å
250K56.4Low66.3Low160 Ų16079.4 Ų79.470%0.69637%0.373SS*.THydrogen-bonded Turntrans-119.8-0.9177.6-64.7-170.4177.1-174.20113.6D248D248-K250 PolarHBondContact O-N 2.78Å; D248-K250 PolarHBondContact OD1-N 2.99Å
251G62.1Low67.6Low2 Ų278.2 Ų78.22%0.02137%0.367CS..SBendtrans-93.1177.3-17000000115E144 D248 E253 H254E144-G251 VanDerWaalsContact OE1-CA 3.25Å; E144-G251 WeakPolarHBondContact OE1-CA 3.49Å; E144-G251 WeakPolarHBondContact OE2-CA 3.33Å; D248-G251 PolarHBondContact O-N 3.07Å; D248-G251 PolarHBondContact OD1-N 3.17Å; G251-E253 VanDerWaalsContact C-N 3.26Å; G251-E253 PolarHBondContact O-N 2.98Å; G251-H254 WeakPolarHBondContact O-CB 3.12Å; G251-H254 PolarHBondContact O-N 3.4Å
252E68.8Low69.6Low51 Ų5171.3 Ų71.324%0.23833%0.334CS..Hα-helixtrans-55.7-37.7175.6-166.1-171.516300113.3W57 E144 H254 Y255 N256W57-E252 VanDerWaalsContact CE2-OE2 3.23Å; W57-E252 VanDerWaalsContact CZ2-CD 3.45Å; W57-E252 VanDerWaalsContact CZ2-OE1 3.25Å; W57-E252 WeakPolarHBondContact CZ2-OE1 3.34Å; W57-E252 WeakPolarHBondContact CZ2-OE2 3.43Å; W57-E252 PolarHBondContact NE1-OE2 2.94Å; E144-E252 PolarHBondContact OE2-N 3.1Å; E252-H254 VanDerWaalsContact C-N 3.26Å; E252-H254 PolarHBondContact O-N 3.09Å; E252-Y255 WeakPolarHBondContact O-CB 3.37Å; E252-Y255 PolarHBondContact O-N 3.48Å; E252-N256 PolarHBondContact O-N 3.05Å
253E70.7Confident71.8Confident86 Ų8666.9 Ų66.940%0.40232%0.321SS..Hα-helixtrans-62-32.3-179.2-78.6-60.4105.300113.3G251 Y255 N256 T257G251-E253 VanDerWaalsContact C-N 3.26Å; G251-E253 PolarHBondContact O-N 2.98Å; E253-Y255 VanDerWaalsContact C-N 3.35Å; E253-N256 PolarHBondContact O-N 2.66Å; E253-N256 PolarHBondContact OE1-ND2 3.41Å; E253-T257 WeakPolarHBondContact O-CB 3.31Å; E253-T257 PolarHBondContact O-N 2.93Å; E253-T257 PolarHBondContact O-OG1 2.81Å
254H75.7Confident74.3Confident13 Ų1359.7 Ų59.76%0.0629%0.292CS..Hα-helixtrans-58.8-48171.8164.186.5000110.7G251 E252 I258 E285 F289G251-H254 WeakPolarHBondContact O-CB 3.12Å; G251-H254 PolarHBondContact O-N 3.4Å; E252-H254 VanDerWaalsContact C-N 3.26Å; E252-H254 PolarHBondContact O-N 3.09Å; H254-I258 WeakPolarHBondContact O-CG2 3.33Å; H254-I258 PolarHBondContact O-N 2.96Å; H254-E285 IonicContact CE1-OE1 2.65Å; H254-E285 PolarHBondContact CE1-OE1 3.22Å; H254-E285 IonicContact CE1-OE2 2.73Å; H254-E285 PolarHBondContact CE1-OE2 3.28Å; H254-E285 IonicContact CG-OE2 2.84Å; H254-E285 IonicContact ND1-OE1 3.49Å; H254-E285 IonicContact ND1-OE2 2.68Å; H254-E285 PolarHBondContact ND1-OE2 3.17Å; H254-F289 AromaticContact CE1-CD1 3.61Å; H254-F289 AromaticContact CE1-CE1 3.21Å; H254-F289 WeakPolarHBondContact CE1-CE1 3.19Å; H254-F289 AromaticContact CE1-CE2 3.84Å; H254-F289 AromaticContact CE1-CZ 3.34Å; H254-F289 WeakPolarHBondContact CE1-CZ 3.31Å; H254-F289 AromaticContact NE2-CE1 3.56Å; H254-F289 AromaticContact NE2-CE2 3.58Å; H254-F289 AromaticContact NE2-CZ 3.15Å; H254-F289 WeakPolarHBondContact NE2-CZ 3.46Å
255Y81.8Confident76.7Confident145 Ų14555.3 Ų55.357%0.56926%0.261SS*.Hα-helixtrans-69.8-37.2178.4-66-69.6000112.8E252 E253 I258 S259E252-Y255 WeakPolarHBondContact O-CB 3.37Å; E252-Y255 PolarHBondContact O-N 3.48Å; E253-Y255 VanDerWaalsContact C-N 3.35Å; Y255-I258 WeakPolarHBondContact O-CG2 3.14Å; Y255-S259 WeakPolarHBondContact O-CB 3.34Å; Y255-S259 PolarHBondContact O-N 3.38Å
256N87.5Confident79.1Confident68 Ų6856.2 Ų56.236%0.36426%0.262SS..Hα-helixtrans-63.3-45.9176.5-71.7-20.5000110.8E252 E253 S259 A260E252-N256 PolarHBondContact O-N 3.05Å; E253-N256 PolarHBondContact O-N 2.66Å; E253-N256 PolarHBondContact OE1-ND2 3.41Å; N256-S259 PolarHBondContact O-N 3.16Å; N256-A260 WeakPolarHBondContact O-CB 3.34Å; N256-A260 PolarHBondContact O-N 2.9Å
257T90.5Very high81.5Confident2 Ų257.8 Ų57.81%0.01227%0.271CS..Hα-helixtrans-69.1-46.3-175.9-49.20000111.9E253 S259 A260 L261 W276 R279 M280E253-T257 WeakPolarHBondContact O-CB 3.31Å; E253-T257 PolarHBondContact O-N 2.93Å; E253-T257 PolarHBondContact O-OG1 2.81Å; T257-S259 VanDerWaalsContact C-N 3.27Å; T257-S259 PolarHBondContact O-N 3.02Å; T257-A260 PolarHBondContact O-N 2.78Å; T257-L261 PolarHBondContact O-N 3.18Å; T257-W276 HydrophobicContact CG2-CE3 4.02Å; T257-R279 HydrophobicContact CG2-CB 4.42Å; T257-R279 HydrophobicContact CG2-CG 4.45Å; T257-M280 HydrophobicContact CG2-CG 3.23Å; T257-M280 HydrophobicContact CG2-SD 3.96Å
258I94.1Very high84.1Confident9 Ų959 Ų595%0.04628%0.284CS..Hα-helixtrans-64.1-35.8174.5-171.767.4000111.6H254 Y255 A260 L261 H262 M280 F289 R293H254-I258 WeakPolarHBondContact O-CG2 3.33Å; H254-I258 PolarHBondContact O-N 2.96Å; Y255-I258 WeakPolarHBondContact O-CG2 3.14Å; I258-A260 VanDerWaalsContact C-N 3.35Å; I258-L261 HydrophobicContact CD1-CD2 4.03Å; I258-L261 PolarHBondContact O-N 3.39Å; I258-H262 PolarHBondContact O-CD2 3.46Å; I258-H262 PolarHBondContact O-N 3.3Å; I258-M280 HydrophobicContact CB-CE 3.77Å; I258-M280 HydrophobicContact CB-SD 4.27Å; I258-M280 HydrophobicContact CD1-CE 3.66Å; I258-M280 HydrophobicContact CD1-SD 4.09Å; I258-M280 HydrophobicContact CG1-CE 4.25Å; I258-F289 HydrophobicContact CB-CE1 3.93Å; I258-F289 HydrophobicContact CB-CZ 4.33Å; I258-F289 HydrophobicContact CD1-CE1 4.04Å; I258-F289 HydrophobicContact CG1-CE1 3.82Å; I258-F289 HydrophobicContact CG1-CZ 4.14Å; I258-F289 HydrophobicContact CG2-CE1 4.23Å; I258-F289 HydrophobicContact CG2-CZ 4.16Å; I258-R293 HydrophobicContact CD1-CB 3.63Å; I258-R293 HydrophobicContact CD1-CG 3.77Å; I258-R293 HydrophobicContact CG1-CB 4.13Å; I258-R293 HydrophobicContact CG1-CG 3.83Å
259S94Very high86.2Confident37 Ų3758.9 Ų58.926%0.25928%0.283SS..Hα-helixtrans-67.4-37.6175.6-1750000111.9Y255 N256 T257 H262 K263Y255-S259 WeakPolarHBondContact O-CB 3.34Å; Y255-S259 PolarHBondContact O-N 3.38Å; N256-S259 PolarHBondContact O-N 3.16Å; T257-S259 VanDerWaalsContact C-N 3.27Å; T257-S259 PolarHBondContact O-N 3.02Å; S259-H262 PolarHBondContact O-N 2.96Å; S259-K263 WeakPolarHBondContact O-CB 3.43Å; S259-K263 VanDerWaalsContact O-CG 3.31Å; S259-K263 WeakPolarHBondContact O-CG 3.3Å; S259-K263 PolarHBondContact O-N 2.73Å; S259-K263 PolarHBondContact OG-NZ 3.43Å
260A96.6Very high88.5Confident20 Ų2053.9 Ų53.917%0.16526%0.263CS..Hα-helixtrans-66.3-41.6177.100000111N256 T257 I258 K263 S264 W276N256-A260 WeakPolarHBondContact O-CB 3.34Å; N256-A260 PolarHBondContact O-N 2.9Å; T257-A260 PolarHBondContact O-N 2.78Å; I258-A260 VanDerWaalsContact C-N 3.35Å; A260-K263 PolarHBondContact O-N 3.21Å; A260-S264 WeakPolarHBondContact O-CB 3.35Å; A260-S264 PolarHBondContact O-N 3.01Å; A260-S264 PolarHBondContact O-OG 3.3Å; A260-W276 HydrophobicContact CB-CD2 3.52Å; A260-W276 HydrophobicContact CB-CE3 3.91Å; A260-W276 HydrophobicContact CB-CG 3.84Å; A260-W276 HydrophobicContact CB-CH2 4.31Å; A260-W276 HydrophobicContact CB-CZ2 4Å; A260-W276 HydrophobicContact CB-CZ3 4.24Å
261L98Very high90.5Very high0 Ų052.5 Ų52.50%026%0.263CS..Hα-helixtrans-55-53.1170.6175.462.1000111.1T257 I258 K263 S264 M265 A273 W276 L277 M280 I290 V336T257-L261 PolarHBondContact O-N 3.18Å; I258-L261 HydrophobicContact CD1-CD2 4.03Å; I258-L261 PolarHBondContact O-N 3.39Å; L261-K263 PolarHBondContact O-N 2.96Å; L261-S264 PolarHBondContact O-N 2.71Å; L261-M265 HydrophobicContact CD1-CE 4.4Å; L261-M265 HydrophobicContact CD1-CG 4.31Å; L261-M265 HydrophobicContact CD1-SD 4.28Å; L261-M265 HydrophobicContact CG-CE 3.99Å; L261-M265 HydrophobicContact CG-SD 4.48Å; L261-M265 WeakPolarHBondContact O-CG 3.36Å; L261-M265 PolarHBondContact O-N 2.92Å; L261-A273 HydrophobicContact CD1-CB 4.06Å; L261-A273 WeakPolarHBondContact CD1-O 3.38Å; L261-W276 HydrophobicContact CB-CB 3.89Å; L261-W276 HydrophobicContact CD1-CB 4.39Å; L261-L277 HydrophobicContact CD1-CB 4.2Å; L261-M280 HydrophobicContact CB-SD 4.43Å; L261-M280 HydrophobicContact CD2-SD 4.08Å; L261-I290 HydrophobicContact CD2-CG2 4.15Å; L261-V336 HydrophobicContact CD1-CG1 4.11Å; L261-V336 HydrophobicContact CD1-CG2 4.03Å
262H97.5Very high92.2Very high9 Ų953.5 Ų53.54%0.04227%0.272CS..Hα-helixtrans-58.3-47.6179.1-84.2-127.8000112.9I258 S259 S264 M265 R266 R293 F297I258-H262 PolarHBondContact O-CD2 3.46Å; I258-H262 PolarHBondContact O-N 3.3Å; S259-H262 PolarHBondContact O-N 2.96Å; H262-S264 VanDerWaalsContact C-N 3.32Å; H262-S264 PolarHBondContact O-N 3.48Å; H262-M265 PolarHBondContact O-N 3.39Å; H262-R266 VanDerWaalsContact O-CB 3.3Å; H262-R266 WeakPolarHBondContact O-CB 3.27Å; H262-R266 PolarHBondContact O-N 3.44Å; H262-R293 PolarHBondContact CE1-NE 2.64Å; H262-R293 PolarHBondContact CE1-NH2 2.87Å; H262-R293 PolarHBondContact CE1-O 3.42Å; H262-R293 PolarHBondContact ND1-NH2 3.4Å; H262-R293 WeakPolarHBondContact NE2-CB 3.03Å; H262-R293 PolarHBondContact NE2-NE 2.91Å; H262-F297 WeakPolarHBondContact O-CE2 3.27Å
263K98Very high93.6Very high133 Ų13351.1 Ų51.158%0.57826%0.26SS*.Hα-helixtrans-65.2-37.9-179.2-73.8179.2175.3108.70111.6S259 A260 L261 R266 N267S259-K263 WeakPolarHBondContact O-CB 3.43Å; S259-K263 VanDerWaalsContact O-CG 3.31Å; S259-K263 WeakPolarHBondContact O-CG 3.3Å; S259-K263 PolarHBondContact O-N 2.73Å; S259-K263 PolarHBondContact OG-NZ 3.43Å; A260-K263 PolarHBondContact O-N 3.21Å; L261-K263 PolarHBondContact O-N 2.96Å; K263-R266 PolarHBondContact O-N 3.39Å; K263-N267 WeakPolarHBondContact O-CB 3.44Å; K263-N267 PolarHBondContact O-N 3.08Å
264S98.4Very high94.9Very high14 Ų1449.6 Ų49.610%0.09826%0.255CS..Hα-helixtrans-64.3-48.6176.7-54.90000111.1A260 L261 H262 R266 N267 S268 D269 W276A260-S264 WeakPolarHBondContact O-CB 3.35Å; A260-S264 PolarHBondContact O-N 3.01Å; A260-S264 PolarHBondContact O-OG 3.3Å; L261-S264 PolarHBondContact O-N 2.71Å; H262-S264 VanDerWaalsContact C-N 3.32Å; H262-S264 PolarHBondContact O-N 3.48Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.4Å; S264-N267 CarbonylContact O-C 3.28Å; S264-N267 PolarHBondContact O-N 3.39Å; S264-S268 PolarHBondContact O-N 2.96Å; S264-S268 VanDerWaalsContact O-N 3.15Å; S264-D269 PolarHBondContact O-N 3.03Å; S264-W276 PolarHBondContact OG-NE1 2.82Å
265M98.4Very high96Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-61.5-41.1175.2-63.9-173-64.300112L261 H262 N267 S268 A273 L294 F297 V336 L339 S340 K344L261-M265 HydrophobicContact CD1-CE 4.4Å; L261-M265 HydrophobicContact CD1-CG 4.31Å; L261-M265 HydrophobicContact CD1-SD 4.28Å; L261-M265 HydrophobicContact CG-CE 3.99Å; L261-M265 HydrophobicContact CG-SD 4.48Å; L261-M265 WeakPolarHBondContact O-CG 3.36Å; L261-M265 PolarHBondContact O-N 2.92Å; H262-M265 PolarHBondContact O-N 3.39Å; M265-N267 VanDerWaalsContact C-N 3.28Å; M265-N267 PolarHBondContact O-N 2.89Å; M265-S268 WeakPolarHBondContact O-CA 3.39Å; M265-S268 PolarHBondContact O-N 3.15Å; M265-A273 HydrophobicContact CG-CB 3.63Å; M265-L294 HydrophobicContact CE-CD2 3.63Å; M265-L294 HydrophobicContact SD-CD2 3.67Å; M265-F297 VanDerWaalsContact C-CZ 3.5Å; M265-F297 HydrophobicContact CB-CD2 4.42Å; M265-F297 HydrophobicContact CB-CE1 3.96Å; M265-F297 HydrophobicContact CB-CE2 3.67Å; M265-F297 HydrophobicContact CB-CZ 3.41Å; M265-F297 VanDerWaalsContact CB-CZ 3.41Å; M265-F297 HydrophobicContact CE-CB 4.38Å; M265-F297 HydrophobicContact CE-CD1 4.35Å; M265-F297 HydrophobicContact CE-CD2 3.74Å; M265-F297 HydrophobicContact CE-CE2 4.08Å; M265-F297 HydrophobicContact CE-CG 3.89Å; M265-V336 HydrophobicContact CG-CG1 4.28Å; M265-V336 HydrophobicContact SD-CB 4.38Å; M265-V336 HydrophobicContact SD-CG1 4.19Å; M265-V336 HydrophobicContact SD-CG2 4.08Å; M265-L339 HydrophobicContact SD-CB 4.37Å; M265-S340 WeakPolarHBondContact CG-OG 3.35Å; M265-K344 WeakPolarHBondContact O-CE 3.36Å; M265-K344 PolarHBondContact O-NZ 3.49Å
266R97.9Very high96.7Very high111 Ų11150.9 Ų50.942%0.41926%0.259SS..Hα-helixtrans-61.6-37.9177.6-176.4177.9-66.7-178-6.6111.7H262 K263 S264 S268 F297 E300 D301H262-R266 VanDerWaalsContact O-CB 3.3Å; H262-R266 WeakPolarHBondContact O-CB 3.27Å; H262-R266 PolarHBondContact O-N 3.44Å; K263-R266 PolarHBondContact O-N 3.39Å; S264-R266 VanDerWaalsContact C-N 3.34Å; S264-R266 PolarHBondContact O-N 3.4Å; R266-S268 PolarHBondContact O-N 3.06Å; R266-F297 HydrophobicContact CB-CE2 4.02Å; R266-F297 HydrophobicContact CB-CZ 4.32Å; R266-E300 IonicContact NH2-OE1 3.11Å; R266-E300 PolarHBondContact NH2-OE1 3.02Å; R266-E300 VanDerWaalsContact NH2-OE1 3.15Å; R266-D301 WeakPolarHBondContact CD-OD1 3.42Å; R266-D301 IonicContact CZ-OD1 2.94Å; R266-D301 IonicContact CZ-OD2 2.91Å; R266-D301 IonicContact NE-OD1 3.02Å; R266-D301 PolarHBondContact NE-OD1 3.42Å; R266-D301 IonicContact NE-OD2 3.93Å; R266-D301 PolarHBondContact NE-OD2 2.61Å; R266-D301 IonicContact NH2-OD1 2.86Å; R266-D301 PolarHBondContact NH2-OD1 3.22Å; R266-D301 VanDerWaalsContact NH2-OD1 3.1Å; R266-D301 IonicContact NH2-OD2 3.97Å; R266-D301 PolarHBondContact NH2-OD2 3.47Å
267N97.3Very high97.2Very high125 Ų12547.8 Ų47.867%0.66824%0.242SC*.THydrogen-bonded Turntrans-79.93174.6-162.353.4000113.3K263 S264 M265 D269K263-N267 WeakPolarHBondContact O-CB 3.44Å; K263-N267 PolarHBondContact O-N 3.08Å; S264-N267 CarbonylContact O-C 3.28Å; S264-N267 PolarHBondContact O-N 3.39Å; M265-N267 VanDerWaalsContact C-N 3.28Å; M265-N267 PolarHBondContact O-N 2.89Å; N267-D269 PolarHBondContact O-N 3.07Å
268S97.9Very high97.5Very high55 Ų5549.8 Ų49.839%0.38526%0.259SS..THydrogen-bonded Turntrans55.328-174.6-54.10000113.7S264 M265 R266 V270 S340 K344S264-S268 PolarHBondContact O-N 2.96Å; S264-S268 VanDerWaalsContact O-N 3.15Å; M265-S268 WeakPolarHBondContact O-CA 3.39Å; M265-S268 PolarHBondContact O-N 3.15Å; R266-S268 PolarHBondContact O-N 3.06Å; S268-V270 PolarHBondContact O-N 3.18Å; S268-S340 WeakPolarHBondContact CA-O 3.49Å; S268-S340 VanDerWaalsContact CB-O 3.27Å; S268-S340 WeakPolarHBondContact CB-O 3.19Å; S268-S340 PolarHBondContact OG-O 2.9Å; S268-K344 WeakPolarHBondContact OG-CE 3.41Å; S268-K344 PolarHBondContact OG-NZ 3.12Å
269D98.2Very high97.3Very high67 Ų6753 Ų5336%0.35827%0.27SS..  trans-88.888.5173.6-171.5-21.9000108.9S264 N267 A272 A273S264-D269 PolarHBondContact O-N 3.03Å; N267-D269 PolarHBondContact O-N 3.07Å; D269-A272 HydrophobicContact CB-CB 4.18Å; D269-A272 WeakPolarHBondContact OD1-CB 3.45Å; D269-A272 PolarHBondContact OD1-N 3.28Å; D269-A273 VanDerWaalsContact O-CB 3.32Å; D269-A273 WeakPolarHBondContact O-CB 3.36Å; D269-A273 PolarHBondContact O-N 2.9Å
270V98.3Very high97.2Very high25 Ų2551.2 Ų51.215%0.15226%0.258CS..Hα-helixtrans-65-41.7-173.4-166.60000111.2S268 A273 I274 I337 L341S268-V270 PolarHBondContact O-N 3.18Å; V270-A273 PolarHBondContact O-N 3.19Å; V270-I274 HydrophobicContact CG1-CD1 4.07Å; V270-I274 HydrophobicContact CG1-CG1 4.5Å; V270-I274 VanDerWaalsContact O-CG1 3.3Å; V270-I274 WeakPolarHBondContact O-CG1 3.48Å; V270-I274 PolarHBondContact O-N 3.49Å; V270-I337 HydrophobicContact CG1-CB 4.32Å; V270-I337 HydrophobicContact CG1-CG1 3.96Å; V270-I337 HydrophobicContact CG1-CG2 4.32Å; V270-L341 HydrophobicContact CG2-CD1 4.45Å; V270-L341 HydrophobicContact CG2-CD2 3.44Å; V270-L341 VanDerWaalsContact CG2-CD2 3.44Å; V270-L341 HydrophobicContact CG2-CG 3.69Å
271D98.5Very high97Very high130 Ų13051.1 Ų51.170%0.69526%0.255SS*.Hα-helixtrans-67.3-45.6-176.2-63.5-55.5000110.8A273 I274 Y275D271-A273 VanDerWaalsContact C-N 3.33Å; D271-A273 PolarHBondContact O-N 3.03Å; D271-I274 PolarHBondContact O-N 3.36Å; D271-Y275 PolarHBondContact O-N 3.33Å
272A98.4Very high96.6Very high24 Ų2457 Ų5720%0.19828%0.283CS..Hα-helixtrans-62.4-41.6173.500000111.3D269 I274 Y275 W276D269-A272 HydrophobicContact CB-CB 4.18Å; D269-A272 WeakPolarHBondContact OD1-CB 3.45Å; D269-A272 PolarHBondContact OD1-N 3.28Å; A272-I274 PolarHBondContact O-N 3.46Å; A272-Y275 WeakPolarHBondContact O-CB 3.32Å; A272-Y275 PolarHBondContact O-N 3.48Å; A272-W276 PolarHBondContact O-N 2.96Å
273A98.4Very high95.8Very high0 Ų057.3 Ų57.30%029%0.286CS..Hα-helixtrans-61.7-43.9178.500000112.3L261 M265 D269 V270 D271 Y275 W276 L277 V336L261-A273 HydrophobicContact CD1-CB 4.06Å; L261-A273 WeakPolarHBondContact CD1-O 3.38Å; M265-A273 HydrophobicContact CG-CB 3.63Å; D269-A273 VanDerWaalsContact O-CB 3.32Å; D269-A273 WeakPolarHBondContact O-CB 3.36Å; D269-A273 PolarHBondContact O-N 2.9Å; V270-A273 PolarHBondContact O-N 3.19Å; D271-A273 VanDerWaalsContact C-N 3.33Å; D271-A273 PolarHBondContact O-N 3.03Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 3.45Å; A273-W276 PolarHBondContact O-N 3.32Å; A273-L277 WeakPolarHBondContact O-CB 3.43Å; A273-L277 PolarHBondContact O-N 3.14Å; A273-V336 HydrophobicContact CB-CG1 3.54Å
274I98.5Very high95.2Very high54 Ų5452.5 Ų52.528%0.27727%0.274SS..Hα-helixtrans-60.7-43174.2-66.8165.9000110.6V270 D271 A272 W276 L277 A278 T333 V336 I337V270-I274 HydrophobicContact CG1-CD1 4.07Å; V270-I274 HydrophobicContact CG1-CG1 4.5Å; V270-I274 VanDerWaalsContact O-CG1 3.3Å; V270-I274 WeakPolarHBondContact O-CG1 3.48Å; V270-I274 PolarHBondContact O-N 3.49Å; D271-I274 PolarHBondContact O-N 3.36Å; A272-I274 PolarHBondContact O-N 3.46Å; I274-W276 PolarHBondContact O-N 3.06Å; I274-L277 WeakPolarHBondContact O-CB 3.34Å; I274-L277 PolarHBondContact O-N 2.79Å; I274-A278 WeakPolarHBondContact O-CB 3.32Å; I274-A278 PolarHBondContact O-N 3.3Å; I274-T333 HydrophobicContact CG1-CG2 4.48Å; I274-V336 HydrophobicContact CG1-CG1 4.47Å; I274-I337 HydrophobicContact CD1-CD1 4.06Å; I274-I337 HydrophobicContact CD1-CG1 3.81Å; I274-I337 HydrophobicContact CG1-CG1 4.12Å
275Y97.7Very high94.8Very high127 Ų12752.4 Ų52.450%0.49827%0.272SS..Hα-helixtrans-59.9-46.7177.8171.7-98.1000112.4D271 A272 A273 A278 R279D271-Y275 PolarHBondContact O-N 3.33Å; A272-Y275 WeakPolarHBondContact O-CB 3.32Å; A272-Y275 PolarHBondContact O-N 3.48Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 3.45Å; Y275-A278 PolarHBondContact O-N 3.04Å; Y275-R279 WeakPolarHBondContact O-CB 3.15Å; Y275-R279 PolarHBondContact O-N 3.37Å; Y275-R279 PolarHBondContact OH-NH2 3.42Å
276W97.2Very high94.4Very high59 Ų5955.4 Ų55.422%0.22329%0.288CS..Hα-helixtrans-65.7-39178.2-64.8119.1000112T257 A260 L261 S264 A272 A273 I274 R279 M280T257-W276 HydrophobicContact CG2-CE3 4.02Å; A260-W276 HydrophobicContact CB-CD2 3.52Å; A260-W276 HydrophobicContact CB-CE3 3.91Å; A260-W276 HydrophobicContact CB-CG 3.84Å; A260-W276 HydrophobicContact CB-CH2 4.31Å; A260-W276 HydrophobicContact CB-CZ2 4Å; A260-W276 HydrophobicContact CB-CZ3 4.24Å; L261-W276 HydrophobicContact CB-CB 3.89Å; L261-W276 HydrophobicContact CD1-CB 4.39Å; S264-W276 PolarHBondContact OG-NE1 2.82Å; A272-W276 PolarHBondContact O-N 2.96Å; A273-W276 PolarHBondContact O-N 3.32Å; I274-W276 PolarHBondContact O-N 3.06Å; W276-R279 PolarHBondContact O-N 3.01Å; W276-M280 VanDerWaalsContact O-CG 3.27Å; W276-M280 WeakPolarHBondContact O-CG 3.15Å; W276-M280 PolarHBondContact O-N 3.41Å
277L97.4Very high94.2Very high2 Ų251 Ų511%0.0127%0.274CS..Hα-helixtrans-58.6-51.9172.1171.767.6000111.2L261 A273 I274 R279 M280 V281 I290 L332 T333 V336L261-L277 HydrophobicContact CD1-CB 4.2Å; A273-L277 WeakPolarHBondContact O-CB 3.43Å; A273-L277 PolarHBondContact O-N 3.14Å; I274-L277 WeakPolarHBondContact O-CB 3.34Å; I274-L277 PolarHBondContact O-N 2.79Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.35Å; L277-M280 WeakPolarHBondContact O-CB 3.34Å; L277-M280 PolarHBondContact O-N 3.15Å; L277-M280 VanDerWaalsContact O-N 3.08Å; L277-V281 HydrophobicContact CD1-CG2 3.99Å; L277-V281 HydrophobicContact CG-CG2 4.36Å; L277-V281 WeakPolarHBondContact O-CG2 3.44Å; L277-V281 PolarHBondContact O-N 3.08Å; L277-I290 HydrophobicContact CD1-CD1 4.03Å; L277-I290 HydrophobicContact CD1-CG2 3.74Å; L277-L332 HydrophobicContact CD1-CB 3.92Å; L277-L332 HydrophobicContact CD1-CD1 4.25Å; L277-L332 HydrophobicContact CD2-CB 3.99Å; L277-T333 VanDerWaalsContact CD2-CA 3.46Å; L277-T333 WeakPolarHBondContact CD2-OG1 3.24Å; L277-V336 HydrophobicContact CB-CG2 4.39Å; L277-V336 HydrophobicContact CD2-CB 4.31Å; L277-V336 HydrophobicContact CD2-CG2 3.92Å
278A96.1Very high94.2Very high44 Ų4447.1 Ų47.136%0.36425%0.253SS..Hα-helixtrans-58.9-43.8-179.600000110.8I274 Y275 M280 V281 E282I274-A278 WeakPolarHBondContact O-CB 3.32Å; I274-A278 PolarHBondContact O-N 3.3Å; Y275-A278 PolarHBondContact O-N 3.04Å; A278-M280 VanDerWaalsContact C-N 3.3Å; A278-M280 PolarHBondContact O-N 2.61Å; A278-V281 PolarHBondContact O-N 2.81Å; A278-E282 WeakPolarHBondContact O-CB 3.32Å; A278-E282 VanDerWaalsContact O-CG 3.3Å; A278-E282 WeakPolarHBondContact O-CG 3.3Å; A278-E282 PolarHBondContact O-N 3.38Å
279R91.4Very high94Very high77 Ų7746.3 Ų46.329%0.29124%0.243SC..Hα-helixtrans-55.3-45.6174.5-169.5-166.1-75.7-149.2-0.7111.2T257 Y275 W276 L277 S283T257-R279 HydrophobicContact CG2-CB 4.42Å; T257-R279 HydrophobicContact CG2-CG 4.45Å; Y275-R279 WeakPolarHBondContact O-CB 3.15Å; Y275-R279 PolarHBondContact O-N 3.37Å; Y275-R279 PolarHBondContact OH-NH2 3.42Å; W276-R279 PolarHBondContact O-N 3.01Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.35Å; R279-S283 WeakPolarHBondContact O-CB 3.21Å; R279-S283 PolarHBondContact O-N 3.16Å; R279-S283 VanDerWaalsContact O-N 3.08Å; R279-S283 PolarHBondContact O-OG 2.47Å
280M92Very high94Very high0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-65.2-45.7179-65.8174.871.200112.4T257 I258 L261 W276 L277 A278 S283 G284 E285 F289 I290T257-M280 HydrophobicContact CG2-CG 3.23Å; T257-M280 HydrophobicContact CG2-SD 3.96Å; I258-M280 HydrophobicContact CB-CE 3.77Å; I258-M280 HydrophobicContact CB-SD 4.27Å; I258-M280 HydrophobicContact CD1-CE 3.66Å; I258-M280 HydrophobicContact CD1-SD 4.09Å; I258-M280 HydrophobicContact CG1-CE 4.25Å; L261-M280 HydrophobicContact CB-SD 4.43Å; L261-M280 HydrophobicContact CD2-SD 4.08Å; W276-M280 VanDerWaalsContact O-CG 3.27Å; W276-M280 WeakPolarHBondContact O-CG 3.15Å; W276-M280 PolarHBondContact O-N 3.41Å; L277-M280 WeakPolarHBondContact O-CB 3.34Å; L277-M280 PolarHBondContact O-N 3.15Å; L277-M280 VanDerWaalsContact O-N 3.08Å; A278-M280 VanDerWaalsContact C-N 3.3Å; A278-M280 PolarHBondContact O-N 2.61Å; M280-S283 CarbonylContact O-C 3.26Å; M280-S283 PolarHBondContact O-N 2.79Å; M280-G284 PolarHBondContact O-N 3.01Å; M280-E285 HydrophobicContact CB-CB 3.99Å; M280-E285 HydrophobicContact CB-CG 4.44Å; M280-E285 HydrophobicContact CE-CG 3.82Å; M280-E285 WeakPolarHBondContact O-CB 3.3Å; M280-E285 PolarHBondContact O-N 3.27Å; M280-F289 HydrophobicContact CE-CD1 4.31Å; M280-F289 HydrophobicContact CE-CE1 4.12Å; M280-I290 HydrophobicContact CB-CD1 3.83Å; M280-I290 HydrophobicContact CE-CD1 4.16Å; M280-I290 HydrophobicContact CE-CG1 3.78Å
281V92.2Very high93.9Very high17 Ų1741.9 Ų41.910%0.10322%0.218CC..Hα-helixtrans-64-49.8-178.6172.60000111.1L277 A278 S283 G284 I290 L325 N329 L332L277-V281 HydrophobicContact CD1-CG2 3.99Å; L277-V281 HydrophobicContact CG-CG2 4.36Å; L277-V281 WeakPolarHBondContact O-CG2 3.44Å; L277-V281 PolarHBondContact O-N 3.08Å; A278-V281 PolarHBondContact O-N 2.81Å; V281-S283 PolarHBondContact O-N 3.1Å; V281-G284 PolarHBondContact O-N 3.48Å; V281-I290 HydrophobicContact CG2-CD1 4.08Å; V281-L325 HydrophobicContact CG1-CD1 4.21Å; V281-L325 HydrophobicContact CG1-CD2 3.77Å; V281-N329 HydrophobicContact CG1-CB 4.28Å; V281-L332 HydrophobicContact CG2-CD1 4.34Å
282E89.1Confident93.9Very high123 Ų12341 Ų4158%0.57521%0.205SC*.Hα-helixtrans-67.2-24.2179.4-63.2-53.6136.700112.6F245 A278 G284F245-E282 HydrophobicContact CD2-CB 4.14Å; F245-E282 HydrophobicContact CE2-CB 3.78Å; F245-E282 HydrophobicContact CZ-CB 4.3Å; A278-E282 WeakPolarHBondContact O-CB 3.32Å; A278-E282 VanDerWaalsContact O-CG 3.3Å; A278-E282 WeakPolarHBondContact O-CG 3.3Å; A278-E282 PolarHBondContact O-N 3.38Å; E282-G284 PolarHBondContact O-N 2.97Å
283S81.5Confident93.9Very high17 Ų1744 Ų4412%0.11921%0.211CC..THydrogen-bonded Turntrans-82.30.3173.4-64.20000114F245 Y247 R279 M280 V281F245-S283 WeakPolarHBondContact CB-OG 2.98Å; Y247-S283 VanDerWaalsContact CB-CB 3.49Å; Y247-S283 WeakPolarHBondContact CD1-O 3.48Å; R279-S283 WeakPolarHBondContact O-CB 3.21Å; R279-S283 PolarHBondContact O-N 3.16Å; R279-S283 VanDerWaalsContact O-N 3.08Å; R279-S283 PolarHBondContact O-OG 2.47Å; M280-S283 CarbonylContact O-C 3.26Å; M280-S283 PolarHBondContact O-N 2.79Å; V281-S283 PolarHBondContact O-N 3.1Å
284G85Confident93.8Very high32 Ų3244.1 Ų44.133%0.3321%0.212SC..THydrogen-bonded Turntrans79.524.1174.400000114.9K249 M280 V281 E282K249-G284 WeakPolarHBondContact CE-O 2.85Å; K249-G284 PolarHBondContact NZ-O 2.85Å; M280-G284 PolarHBondContact O-N 3.01Å; V281-G284 PolarHBondContact O-N 3.48Å; E282-G284 PolarHBondContact O-N 2.97Å
285E88.7Confident93.8Very high12 Ų1243 Ų436%0.05621%0.207CC..  trans-57.1148.5171.4-17558.6-109.400112Y247 H254 M280 P287 F289 I290Y247-E285 HydrophobicContact CE1-CB 4.09Å; Y247-E285 WeakPolarHBondContact CE1-OE2 3.33Å; Y247-E285 PolarHBondContact OH-OE2 3.41Å; H254-E285 IonicContact CE1-OE1 2.65Å; H254-E285 PolarHBondContact CE1-OE1 3.22Å; H254-E285 IonicContact CE1-OE2 2.73Å; H254-E285 PolarHBondContact CE1-OE2 3.28Å; H254-E285 IonicContact CG-OE2 2.84Å; H254-E285 IonicContact ND1-OE1 3.49Å; H254-E285 IonicContact ND1-OE2 2.68Å; H254-E285 PolarHBondContact ND1-OE2 3.17Å; M280-E285 HydrophobicContact CB-CB 3.99Å; M280-E285 HydrophobicContact CB-CG 4.44Å; M280-E285 HydrophobicContact CE-CG 3.82Å; M280-E285 WeakPolarHBondContact O-CB 3.3Å; M280-E285 PolarHBondContact O-N 3.27Å; E285-P287 WeakPolarHBondContact O-CD 3.26Å; E285-F289 HydrophobicContact CG-CD1 3.95Å; E285-I290 HydrophobicContact CB-CD1 4.18Å; E285-I290 HydrophobicContact CG-CD1 4Å; E285-I290 HydrophobicContact CG-CG1 3.82Å
286D91Very high93.9Very high63 Ų6342 Ų4234%0.33720%0.203SC..  trans-63.3117.1171.6171.321.6000110.2L288 F289 I290 R292D286-L288 PolarHBondContact O-N 2.89Å; D286-L288 VanDerWaalsContact O-N 3.16Å; D286-L288 WeakPolarHBondContact OD1-CB 3.48Å; D286-L288 PolarHBondContact OD1-N 3.08Å; D286-F289 HydrophobicContact CB-CB 3.94Å; D286-F289 WeakPolarHBondContact O-CA 3.37Å; D286-F289 VanDerWaalsContact O-CB 3.27Å; D286-F289 WeakPolarHBondContact O-CB 3.08Å; D286-F289 PolarHBondContact O-N 3.32Å; D286-F289 PolarHBondContact OD2-N 2.94Å; D286-I290 PolarHBondContact O-N 3.28Å; D286-R292 IonicContact OD2-NH1 3.89Å; D286-R292 IonicContact OD2-NH2 3.54Å; D286-R292 PolarHBondContact OD2-NH2 3.45Å; D286-R292 VanDerWaalsContact OD2-NH2 3.11Å
287P94.4Very high93.9Very high17 Ų1739.2 Ų39.211%0.1119%0.192CC..Hα-helixtrans-60.3-28.5178.526.3-36.3000112.3E285 F289 I290 A291 L325 L332E285-P287 WeakPolarHBondContact O-CD 3.26Å; P287-F289 VanDerWaalsContact C-N 3.33Å; P287-I290 PolarHBondContact O-N 3.26Å; P287-A291 WeakPolarHBondContact O-CB 3.38Å; P287-A291 PolarHBondContact O-N 3.33Å; P287-L325 HydrophobicContact CB-CD1 4.24Å; P287-L325 HydrophobicContact CB-CG 4.1Å; P287-L325 HydrophobicContact CG-CD1 4.08Å; P287-L325 HydrophobicContact CG-CG 3.98Å; P287-L332 HydrophobicContact CB-CD1 3.99Å
288L96.2Very high94Very high44 Ų4439.1 Ų39.123%0.2319%0.192CC..Hα-helixtrans-70.7-31.4175.3-60.9178.8000111.8D286 R292 F317 C320 Q321D286-L288 PolarHBondContact O-N 2.89Å; D286-L288 VanDerWaalsContact O-N 3.16Å; D286-L288 WeakPolarHBondContact OD1-CB 3.48Å; D286-L288 PolarHBondContact OD1-N 3.08Å; L288-R292 VanDerWaalsContact CB-NH1 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.34Å; L288-R292 VanDerWaalsContact O-CG 3.28Å; L288-R292 WeakPolarHBondContact O-CG 3.09Å; L288-R292 PolarHBondContact O-N 3.42Å; L288-R292 PolarHBondContact O-NH1 3.29Å; L288-F317 HydrophobicContact CB-CE2 4.35Å; L288-F317 HydrophobicContact CD2-CE2 4.09Å; L288-F317 HydrophobicContact CD2-CZ 4.39Å; L288-C320 HydrophobicContact CD2-CB 3.97Å; L288-Q321 HydrophobicContact CD2-CB 3.94Å
289F94.5Very high94Very high38 Ų3839 Ų3917%0.16719%0.188CC..Hα-helixtrans-62.1-49.7171.8172.7-97.6000110.5H254 I258 M280 E285 D286 P287 A291 R292 R293H254-F289 AromaticContact CE1-CD1 3.61Å; H254-F289 AromaticContact CE1-CE1 3.21Å; H254-F289 WeakPolarHBondContact CE1-CE1 3.19Å; H254-F289 AromaticContact CE1-CE2 3.84Å; H254-F289 AromaticContact CE1-CZ 3.34Å; H254-F289 WeakPolarHBondContact CE1-CZ 3.31Å; H254-F289 AromaticContact NE2-CE1 3.56Å; H254-F289 AromaticContact NE2-CE2 3.58Å; H254-F289 AromaticContact NE2-CZ 3.15Å; H254-F289 WeakPolarHBondContact NE2-CZ 3.46Å; I258-F289 HydrophobicContact CB-CE1 3.93Å; I258-F289 HydrophobicContact CB-CZ 4.33Å; I258-F289 HydrophobicContact CD1-CE1 4.04Å; I258-F289 HydrophobicContact CG1-CE1 3.82Å; I258-F289 HydrophobicContact CG1-CZ 4.14Å; I258-F289 HydrophobicContact CG2-CE1 4.23Å; I258-F289 HydrophobicContact CG2-CZ 4.16Å; M280-F289 HydrophobicContact CE-CD1 4.31Å; M280-F289 HydrophobicContact CE-CE1 4.12Å; E285-F289 HydrophobicContact CG-CD1 3.95Å; D286-F289 HydrophobicContact CB-CB 3.94Å; D286-F289 WeakPolarHBondContact O-CA 3.37Å; D286-F289 VanDerWaalsContact O-CB 3.27Å; D286-F289 WeakPolarHBondContact O-CB 3.08Å; D286-F289 PolarHBondContact O-N 3.32Å; D286-F289 PolarHBondContact OD2-N 2.94Å; P287-F289 VanDerWaalsContact C-N 3.33Å; F289-A291 PolarHBondContact O-N 2.97Å; F289-R292 PolarHBondContact O-N 2.91Å; F289-R293 HydrophobicContact CE1-CG 4.23Å; F289-R293 HydrophobicContact CE2-CG 4.23Å; F289-R293 HydrophobicContact CZ-CG 4.04Å; F289-R293 VanDerWaalsContact O-CG 3.24Å; F289-R293 WeakPolarHBondContact O-CG 3.3Å; F289-R293 PolarHBondContact O-N 2.78Å
290I96.8Very high94.4Very high0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-58.3-49.6176.7-54.9178.3000110L261 L277 M280 V281 E285 D286 P287 R292 R293 L294 L332L261-I290 HydrophobicContact CD2-CG2 4.15Å; L277-I290 HydrophobicContact CD1-CD1 4.03Å; L277-I290 HydrophobicContact CD1-CG2 3.74Å; M280-I290 HydrophobicContact CB-CD1 3.83Å; M280-I290 HydrophobicContact CE-CD1 4.16Å; M280-I290 HydrophobicContact CE-CG1 3.78Å; V281-I290 HydrophobicContact CG2-CD1 4.08Å; E285-I290 HydrophobicContact CB-CD1 4.18Å; E285-I290 HydrophobicContact CG-CD1 4Å; E285-I290 HydrophobicContact CG-CG1 3.82Å; D286-I290 PolarHBondContact O-N 3.28Å; P287-I290 PolarHBondContact O-N 3.26Å; I290-R292 PolarHBondContact O-N 3.33Å; I290-R293 WeakPolarHBondContact O-CA 3.47Å; I290-R293 VanDerWaalsContact O-CB 3.32Å; I290-R293 WeakPolarHBondContact O-CB 3.43Å; I290-R293 PolarHBondContact O-N 2.85Å; I290-L294 HydrophobicContact CG2-CD1 4.45Å; I290-L294 HydrophobicContact CG2-CG 4.47Å; I290-L294 WeakPolarHBondContact O-CG 3.4Å; I290-L294 PolarHBondContact O-N 3.07Å; I290-L332 HydrophobicContact CB-CD1 4.4Å; I290-L332 HydrophobicContact CB-CD2 4.25Å; I290-L332 HydrophobicContact CD1-CD1 4.31Å; I290-L332 HydrophobicContact CG2-CD1 4.42Å; I290-L332 HydrophobicContact CG2-CD2 4.03Å
291A97.9Very high94.7Very high0 Ų037.8 Ų37.80%019%0.187CC..Hα-helixtrans-61.4-40.9-17900000113.3P287 F289 R293 L294 V295 F317 L332P287-A291 WeakPolarHBondContact O-CB 3.38Å; P287-A291 PolarHBondContact O-N 3.33Å; F289-A291 PolarHBondContact O-N 2.97Å; A291-R293 PolarHBondContact O-N 3.18Å; A291-L294 PolarHBondContact O-N 2.9Å; A291-V295 WeakPolarHBondContact O-CG2 3.41Å; A291-V295 PolarHBondContact O-N 2.83Å; A291-F317 HydrophobicContact CB-CB 4.05Å; A291-F317 HydrophobicContact CB-CD2 3.64Å; A291-F317 HydrophobicContact CB-CG 4.32Å; A291-L332 HydrophobicContact CB-CD2 4Å
292R97.7Very high94.9Very high112 Ų11237 Ų3742%0.42318%0.182SC..Hα-helixtrans-57.1-39.9173.3-77.3-177.6-65.9-88.74.4111.9D286 L288 F289 I290 V295 R296 F317D286-R292 IonicContact OD2-NH1 3.89Å; D286-R292 IonicContact OD2-NH2 3.54Å; D286-R292 PolarHBondContact OD2-NH2 3.45Å; D286-R292 VanDerWaalsContact OD2-NH2 3.11Å; L288-R292 VanDerWaalsContact CB-NH1 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.34Å; L288-R292 VanDerWaalsContact O-CG 3.28Å; L288-R292 WeakPolarHBondContact O-CG 3.09Å; L288-R292 PolarHBondContact O-N 3.42Å; L288-R292 PolarHBondContact O-NH1 3.29Å; F289-R292 PolarHBondContact O-N 2.91Å; I290-R292 PolarHBondContact O-N 3.33Å; R292-V295 PolarHBondContact O-N 2.76Å; R292-R296 PolarHBondContact O-N 3.12Å; R292-F317 HydrophobicContact CG-CD2 4.2Å; R292-F317 HydrophobicContact CG-CE2 3.66Å
293R97.4Very high95.4Very high87 Ų8731.8 Ų31.833%0.32816%0.161SC..Hα-helixtrans-70.1-36.2-179.5-70.4-59.6-52.6172.9-2.5111.8I258 H262 F289 I290 A291 R296 F297I258-R293 HydrophobicContact CD1-CB 3.63Å; I258-R293 HydrophobicContact CD1-CG 3.77Å; I258-R293 HydrophobicContact CG1-CB 4.13Å; I258-R293 HydrophobicContact CG1-CG 3.83Å; H262-R293 PolarHBondContact CE1-NE 2.64Å; H262-R293 PolarHBondContact CE1-NH2 2.87Å; H262-R293 PolarHBondContact CE1-O 3.42Å; H262-R293 PolarHBondContact ND1-NH2 3.4Å; H262-R293 WeakPolarHBondContact NE2-CB 3.03Å; H262-R293 PolarHBondContact NE2-NE 2.91Å; F289-R293 HydrophobicContact CE1-CG 4.23Å; F289-R293 HydrophobicContact CE2-CG 4.23Å; F289-R293 HydrophobicContact CZ-CG 4.04Å; F289-R293 VanDerWaalsContact O-CG 3.24Å; F289-R293 WeakPolarHBondContact O-CG 3.3Å; F289-R293 PolarHBondContact O-N 2.78Å; I290-R293 WeakPolarHBondContact O-CA 3.47Å; I290-R293 VanDerWaalsContact O-CB 3.32Å; I290-R293 WeakPolarHBondContact O-CB 3.43Å; I290-R293 PolarHBondContact O-N 2.85Å; A291-R293 PolarHBondContact O-N 3.18Å; R293-R296 PolarHBondContact O-N 3.28Å; R293-F297 WeakPolarHBondContact O-CB 3.5Å; R293-F297 PolarHBondContact O-N 3.04Å
294L98.4Very high96.1Very high1 Ų133.7 Ų33.71%0.00517%0.169CC..Hα-helixtrans-65.8-40.4170-59.6-177.2000112.8M265 I290 A291 R296 F297 A298 L332 A335 V336 L339M265-L294 HydrophobicContact CE-CD2 3.63Å; M265-L294 HydrophobicContact SD-CD2 3.67Å; I290-L294 HydrophobicContact CG2-CD1 4.45Å; I290-L294 HydrophobicContact CG2-CG 4.47Å; I290-L294 WeakPolarHBondContact O-CG 3.4Å; I290-L294 PolarHBondContact O-N 3.07Å; A291-L294 PolarHBondContact O-N 2.9Å; L294-R296 VanDerWaalsContact C-N 3.33Å; L294-R296 PolarHBondContact O-N 3.06Å; L294-F297 WeakPolarHBondContact O-CB 2.9Å; L294-F297 PolarHBondContact O-N 2.92Å; L294-A298 PolarHBondContact O-N 3.27Å; L294-L332 HydrophobicContact CD1-CD2 4.12Å; L294-A335 HydrophobicContact CD1-CB 3.69Å; L294-V336 HydrophobicContact CD1-CG2 4.06Å; L294-V336 HydrophobicContact CD2-CG2 3.89Å; L294-L339 HydrophobicContact CB-CD1 3.85Å; L294-L339 HydrophobicContact CD2-CD1 4.12Å; L294-L339 HydrophobicContact CG-CD1 4.43Å
295V98.4Very high96.8Very high31 Ų3132.1 Ų32.119%0.18815%0.154CC..Hα-helixtrans-60.1-42.8174.1171.40000111.2A291 R292 L310 A313 F317A291-V295 WeakPolarHBondContact O-CG2 3.41Å; A291-V295 PolarHBondContact O-N 2.83Å; R292-V295 PolarHBondContact O-N 2.76Å; V295-L310 HydrophobicContact CG1-CD1 3.94Å; V295-A313 HydrophobicContact CG2-CB 3.97Å; V295-F317 HydrophobicContact CG2-CB 4.19Å
296R97.9Very high97.2Very high106 Ų10632.4 Ų32.440%0.416%0.155SC..Hα-helixtrans-63.1-46173.9176.359.4-173.5174.15.7111.4R292 R293 L294 A298 S299 E300 D349R292-R296 PolarHBondContact O-N 3.12Å; R293-R296 PolarHBondContact O-N 3.28Å; L294-R296 VanDerWaalsContact C-N 3.33Å; L294-R296 PolarHBondContact O-N 3.06Å; R296-A298 VanDerWaalsContact C-N 3.31Å; R296-A298 PolarHBondContact O-N 3.36Å; R296-S299 PolarHBondContact O-N 3.36Å; R296-E300 IonicContact CZ-OE2 3.72Å; R296-E300 IonicContact NE-OE2 3.95Å; R296-E300 PolarHBondContact NE-OE2 3.22Å; R296-E300 IonicContact NH2-OE2 2.75Å; R296-E300 PolarHBondContact NH2-OE2 3.18Å; R296-E300 VanDerWaalsContact NH2-OE2 3.14Å; R296-E300 WeakPolarHBondContact O-CB 3.22Å; R296-E300 PolarHBondContact O-N 3.25Å; R296-D349 IonicContact CZ-OD1 3.38Å; R296-D349 IonicContact NH1-OD1 3.75Å; R296-D349 IonicContact NH2-OD1 3.79Å; R296-D349 PolarHBondContact NH2-OD1 2.86Å
297F98.5Very high97.5Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-57.5-42.9179.2-173.5-84.1000112.1H262 M265 R266 R293 L294 S299 E300 D301 I302 L339H262-F297 WeakPolarHBondContact O-CE2 3.27Å; M265-F297 VanDerWaalsContact C-CZ 3.5Å; M265-F297 HydrophobicContact CB-CD2 4.42Å; M265-F297 HydrophobicContact CB-CE1 3.96Å; M265-F297 HydrophobicContact CB-CE2 3.67Å; M265-F297 HydrophobicContact CB-CZ 3.41Å; M265-F297 VanDerWaalsContact CB-CZ 3.41Å; M265-F297 HydrophobicContact CE-CB 4.38Å; M265-F297 HydrophobicContact CE-CD1 4.35Å; M265-F297 HydrophobicContact CE-CD2 3.74Å; M265-F297 HydrophobicContact CE-CE2 4.08Å; M265-F297 HydrophobicContact CE-CG 3.89Å; R266-F297 HydrophobicContact CB-CE2 4.02Å; R266-F297 HydrophobicContact CB-CZ 4.32Å; R293-F297 WeakPolarHBondContact O-CB 3.5Å; R293-F297 PolarHBondContact O-N 3.04Å; L294-F297 WeakPolarHBondContact O-CB 2.9Å; L294-F297 PolarHBondContact O-N 2.92Å; F297-S299 PolarHBondContact O-N 2.69Å; F297-E300 PolarHBondContact O-N 3.4Å; F297-D301 HydrophobicContact CD1-CB 4.15Å; F297-D301 HydrophobicContact CD2-CB 3.95Å; F297-D301 VanDerWaalsContact CD2-OD2 3.26Å; F297-D301 WeakPolarHBondContact CD2-OD2 3.49Å; F297-D301 HydrophobicContact CE1-CB 3.84Å; F297-D301 HydrophobicContact CE2-CB 3.63Å; F297-D301 WeakPolarHBondContact CE2-OD2 3.3Å; F297-D301 HydrophobicContact CG-CB 4.19Å; F297-D301 HydrophobicContact CZ-CB 3.56Å; F297-D301 PolarHBondContact O-N 3.43Å; F297-I302 HydrophobicContact CD1-CD1 4.06Å; F297-I302 HydrophobicContact CE1-CD1 3.86Å; F297-I302 HydrophobicContact CE1-CG1 4.19Å; F297-L339 HydrophobicContact CD1-CB 3.95Å; F297-L339 HydrophobicContact CD1-CD1 4.29Å; F297-L339 HydrophobicContact CE1-CB 4.02Å
298A98.5Very high97.6Very high1 Ų141.2 Ų41.21%0.00819%0.188CC..Iπ-helixtrans-56.1-36178.300000113.3L294 R296 I302 G303 A309 L310 A313 L339L294-A298 PolarHBondContact O-N 3.27Å; R296-A298 VanDerWaalsContact C-N 3.31Å; R296-A298 PolarHBondContact O-N 3.36Å; A298-I302 WeakPolarHBondContact O-CB 3.46Å; A298-G303 PolarHBondContact O-N 3.06Å; A298-A309 HydrophobicContact CB-CB 4.13Å; A298-L310 HydrophobicContact CB-CB 4.38Å; A298-A313 HydrophobicContact CB-CB 4.02Å; A298-L339 HydrophobicContact CB-CD2 3.9Å
299S97.8Very high97.7Very high41 Ų4139.1 Ų39.129%0.28718%0.177SC..Iπ-helixtrans-87.9-34.5177.8-640000113.6R296 F297R296-S299 PolarHBondContact O-N 3.36Å; F297-S299 PolarHBondContact O-N 2.69Å
300E97.9Very high97.9Very high40 Ų4040.6 Ų40.619%0.18719%0.186CC..Iπ-helixtrans-81.8-41.9-173.7-178179155.200113.2R266 R296 F297 N346 D349R266-E300 IonicContact NH2-OE1 3.11Å; R266-E300 PolarHBondContact NH2-OE1 3.02Å; R266-E300 VanDerWaalsContact NH2-OE1 3.15Å; R296-E300 IonicContact CZ-OE2 3.72Å; R296-E300 IonicContact NE-OE2 3.95Å; R296-E300 PolarHBondContact NE-OE2 3.22Å; R296-E300 IonicContact NH2-OE2 2.75Å; R296-E300 PolarHBondContact NH2-OE2 3.18Å; R296-E300 VanDerWaalsContact NH2-OE2 3.14Å; R296-E300 WeakPolarHBondContact O-CB 3.22Å; R296-E300 PolarHBondContact O-N 3.25Å; F297-E300 PolarHBondContact O-N 3.4Å; E300-N346 VanDerWaalsContact O-CA 3.3Å; E300-N346 WeakPolarHBondContact O-CA 3.29Å; E300-D349 HydrophobicContact CG-CB 4.27Å
301D98.2Very high98Very high12 Ų1246.9 Ų46.96%0.06422%0.216CC..Iπ-helixtrans-110.3-12.9-168.8-76.8-65.6000113.7R266 F297 K344 S345R266-D301 WeakPolarHBondContact CD-OD1 3.42Å; R266-D301 IonicContact CZ-OD1 2.94Å; R266-D301 IonicContact CZ-OD2 2.91Å; R266-D301 IonicContact NE-OD1 3.02Å; R266-D301 PolarHBondContact NE-OD1 3.42Å; R266-D301 IonicContact NE-OD2 3.93Å; R266-D301 PolarHBondContact NE-OD2 2.61Å; R266-D301 IonicContact NH2-OD1 2.86Å; R266-D301 PolarHBondContact NH2-OD1 3.22Å; R266-D301 VanDerWaalsContact NH2-OD1 3.1Å; R266-D301 IonicContact NH2-OD2 3.97Å; R266-D301 PolarHBondContact NH2-OD2 3.47Å; F297-D301 HydrophobicContact CD1-CB 4.15Å; F297-D301 HydrophobicContact CD2-CB 3.95Å; F297-D301 VanDerWaalsContact CD2-OD2 3.26Å; F297-D301 WeakPolarHBondContact CD2-OD2 3.49Å; F297-D301 HydrophobicContact CE1-CB 3.84Å; F297-D301 HydrophobicContact CE2-CB 3.63Å; F297-D301 WeakPolarHBondContact CE2-OD2 3.3Å; F297-D301 HydrophobicContact CG-CB 4.19Å; F297-D301 HydrophobicContact CZ-CB 3.56Å; F297-D301 PolarHBondContact O-N 3.43Å; D301-K344 CarbonylContact O-C 3.55Å; D301-K344 VanDerWaalsContact O-CA 3.32Å; D301-K344 WeakPolarHBondContact O-CA 3.5Å; D301-K344 WeakPolarHBondContact O-CD 3.5Å; D301-S345 CarbonylContact C-O 3.51Å; D301-S345 VanDerWaalsContact C-O 3.26Å; D301-S345 PolarHBondContact O-N 3.35Å
302I98.4Very high98Very high0 Ų048.5 Ų48.50%022%0.224CC..Iπ-helixtrans-118.8-50.2177.7-66.4159.5000110.7F297 A298 L304 A305 D306 A309 L339 A342 K344 S345F297-I302 HydrophobicContact CD1-CD1 4.06Å; F297-I302 HydrophobicContact CE1-CD1 3.86Å; F297-I302 HydrophobicContact CE1-CG1 4.19Å; A298-I302 WeakPolarHBondContact O-CB 3.46Å; I302-L304 PolarHBondContact O-N 2.8Å; I302-A305 VanDerWaalsContact O-CB 3.25Å; I302-A305 WeakPolarHBondContact O-CB 3.16Å; I302-A305 PolarHBondContact O-N 3.32Å; I302-A305 VanDerWaalsContact O-N 3.09Å; I302-D306 HydrophobicContact CG2-CB 3.71Å; I302-A309 HydrophobicContact CB-CB 4.28Å; I302-A309 HydrophobicContact CD1-CB 4Å; I302-A309 HydrophobicContact CG2-CB 3.68Å; I302-L339 HydrophobicContact CD1-CB 3.94Å; I302-L339 HydrophobicContact CD1-CD2 3.42Å; I302-L339 VanDerWaalsContact CD1-CD2 3.42Å; I302-L339 HydrophobicContact CD1-CG 4.27Å; I302-A342 HydrophobicContact CD1-CB 3.6Å; I302-A342 HydrophobicContact CG1-CB 3.9Å; I302-A342 HydrophobicContact CG2-CB 4.18Å; I302-K344 HydrophobicContact CG1-CD 4.3Å; I302-S345 CarbonylContact C-O 3.58Å; I302-S345 VanDerWaalsContact C-O 3.28Å; I302-S345 PolarHBondContact N-O 3.31Å; I302-S345 WeakPolarHBondContact O-CB 3.4Å
303G97.7Very high98.1Very high14 Ų1443.2 Ų43.214%0.14421%0.205CC..G310 helixtrans57.8-131.6174.100000112.7A298 A305A298-G303 PolarHBondContact O-N 3.06Å; G303-A305 VanDerWaalsContact C-N 3.26Å; G303-A305 PolarHBondContact O-N 3.42Å
304L97.8Very high98.1Very high56 Ų5642.1 Ų42.129%0.29321%0.205SC..G310 helixtrans-81.2-1.6-179.9-68176.9000113.6I302 D306 I307 V348 Y414 N421 E422 F425I302-L304 PolarHBondContact O-N 2.8Å; L304-D306 VanDerWaalsContact C-N 3.25Å; L304-D306 PolarHBondContact O-N 3.43Å; L304-I307 HydrophobicContact CD2-CG2 4.3Å; L304-V348 HydrophobicContact CB-CG2 4.47Å; L304-V348 HydrophobicContact CD1-CG2 4.33Å; L304-V348 HydrophobicContact CG-CG2 3.94Å; L304-Y414 HydrophobicContact CD1-CE1 4.45Å; L304-Y414 HydrophobicContact CD1-CE2 4.3Å; L304-Y414 WeakPolarHBondContact CD1-OH 3.41Å; L304-N421 WeakPolarHBondContact O-CB 3.19Å; L304-E422 VanDerWaalsContact C-CG 3.49Å; L304-E422 HydrophobicContact CB-CG 3.83Å; L304-F425 HydrophobicContact CB-CD2 4.2Å; L304-F425 HydrophobicContact CB-CE2 4.12Å; L304-F425 HydrophobicContact CD1-CD1 4.28Å; L304-F425 HydrophobicContact CD1-CE1 4.29Å; L304-F425 HydrophobicContact CD1-CG 4.48Å; L304-F425 HydrophobicContact CD1-CZ 4.49Å; L304-F425 HydrophobicContact CD2-CE1 4.49Å; L304-F425 HydrophobicContact CD2-CE2 4.37Å; L304-F425 HydrophobicContact CD2-CZ 4.05Å
305A98.2Very high98.1Very high0 Ų045.5 Ų45.50%023%0.226CC..G310 helixtrans-67-33.5175.400000110.5I302 G303 P343 Q419 G420 N421 E422I302-A305 VanDerWaalsContact O-CB 3.25Å; I302-A305 WeakPolarHBondContact O-CB 3.16Å; I302-A305 PolarHBondContact O-N 3.32Å; I302-A305 VanDerWaalsContact O-N 3.09Å; G303-A305 VanDerWaalsContact C-N 3.26Å; G303-A305 PolarHBondContact O-N 3.42Å; A305-P343 HydrophobicContact CB-CB 4.07Å; A305-P343 HydrophobicContact CB-CG 4.03Å; A305-P343 WeakPolarHBondContact CB-O 3.47Å; A305-P343 WeakPolarHBondContact O-CG 3.45Å; A305-Q419 HydrophobicContact CB-CB 4.14Å; A305-G420 CarbonylContact O-C 3.57Å; A305-G420 WeakPolarHBondContact O-CA 3.37Å; A305-N421 PolarHBondContact O-N 3.12Å; A305-N421 PolarHBondContact O-ND2 3.47Å; A305-N421 VanDerWaalsContact O-ND2 3.13Å; A305-E422 HydrophobicContact CB-CG 4.36Å
306D98.2Very high98.1Very high17 Ų1744.3 Ų44.39%0.09122%0.219CC..SBendtrans-135.8103.5166.5177.915.7000111.7I302 L304 R308 A309 Y338 P343I302-D306 HydrophobicContact CG2-CB 3.71Å; L304-D306 VanDerWaalsContact C-N 3.25Å; L304-D306 PolarHBondContact O-N 3.43Å; D306-R308 PolarHBondContact O-N 3Å; D306-R308 VanDerWaalsContact O-N 3.08Å; D306-R308 PolarHBondContact OD1-N 2.96Å; D306-A309 HydrophobicContact CB-CB 4.45Å; D306-A309 WeakPolarHBondContact O-CB 3.36Å; D306-A309 PolarHBondContact O-N 3.38Å; D306-A309 VanDerWaalsContact O-N 3.15Å; D306-Y338 WeakPolarHBondContact OD2-CE1 3.25Å; D306-Y338 PolarHBondContact OD2-OH 3.45Å; D306-P343 HydrophobicContact CB-CG 4.06Å
307I96.4Very high98.1Very high96 Ų9641.6 Ų41.649%0.49221%0.21SC..THydrogen-bonded Turntrans-64.4-13.3-177.563.4174.1000113.9L304 N421 F425L304-I307 HydrophobicContact CD2-CG2 4.3Å; I307-N421 HydrophobicContact CG2-CB 4.46Å; I307-F425 HydrophobicContact CG2-CE2 3.92Å; I307-F425 HydrophobicContact CG2-CZ 4.04Å
308R98Very high98.1Very high169 Ų16946.4 Ų46.464%0.63823%0.232SC*.THydrogen-bonded Turntrans-93-14.9178.6-65.4-172.8179.1-174.7-0.4113.6D306 L310 E311 L312D306-R308 PolarHBondContact O-N 3Å; D306-R308 VanDerWaalsContact O-N 3.08Å; D306-R308 PolarHBondContact OD1-N 2.96Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 3.42Å; R308-E311 PolarHBondContact O-N 3.28Å; R308-L312 PolarHBondContact O-N 2.94Å
309A98.3Very high98Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-58.7-43.2-17500000112.6A298 I302 D306 A313 Y338 L339A298-A309 HydrophobicContact CB-CB 4.13Å; I302-A309 HydrophobicContact CB-CB 4.28Å; I302-A309 HydrophobicContact CD1-CB 4Å; I302-A309 HydrophobicContact CG2-CB 3.68Å; D306-A309 HydrophobicContact CB-CB 4.45Å; D306-A309 WeakPolarHBondContact O-CB 3.36Å; D306-A309 PolarHBondContact O-N 3.38Å; D306-A309 VanDerWaalsContact O-N 3.15Å; A309-A313 WeakPolarHBondContact O-CB 3.49Å; A309-A313 PolarHBondContact O-N 3.3Å; A309-Y338 HydrophobicContact CB-CE1 4.17Å; A309-L339 HydrophobicContact CB-CD2 3.88Å
310L98.3Very high98Very high69 Ų6945.8 Ų45.836%0.36123%0.228SC..Hα-helixtrans-68.3-38.2178.618059.6000112.2V295 A298 R308 N314V295-L310 HydrophobicContact CG1-CD1 3.94Å; A298-L310 HydrophobicContact CB-CB 4.38Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 3.42Å; L310-N314 WeakPolarHBondContact CD1-ND2 3.42Å; L310-N314 WeakPolarHBondContact O-CB 3.28Å; L310-N314 PolarHBondContact O-N 3.11Å; L310-N314 PolarHBondContact O-ND2 3.09Å
311E98.2Very high97.9Very high132 Ų13249.3 Ų49.362%0.61724%0.244SC*.Hα-helixtrans-62.3-50.8176.5-174.3179.9170.500110.4R308 A313 N314 T315R308-E311 PolarHBondContact O-N 3.28Å; E311-A313 PolarHBondContact O-N 2.86Å; E311-N314 PolarHBondContact O-N 3.26Å; E311-T315 PolarHBondContact O-N 3.14Å; E311-T315 PolarHBondContact O-OG1 3.32Å; E311-T315 VanDerWaalsContact O-OG1 3.12Å
312L98.3Very high97.8Very high35 Ų3556.1 Ų56.118%0.18327%0.274CS..Hα-helixtrans-60.5-43.4178.3-176.6135.9000112.2R308 N314 T315 V316 A335 Y338R308-L312 PolarHBondContact O-N 2.94Å; L312-N314 VanDerWaalsContact C-N 3.34Å; L312-N314 PolarHBondContact O-N 3.25Å; L312-T315 PolarHBondContact O-N 2.91Å; L312-V316 HydrophobicContact CD2-CG2 4.48Å; L312-V316 VanDerWaalsContact O-CG2 3.3Å; L312-V316 WeakPolarHBondContact O-CG2 3.32Å; L312-V316 PolarHBondContact O-N 3.21Å; L312-A335 HydrophobicContact CD2-CB 4.18Å; L312-Y338 HydrophobicContact CD1-CD1 4.4Å; L312-Y338 HydrophobicContact CD1-CD2 3.76Å; L312-Y338 HydrophobicContact CD1-CE2 4.05Å; L312-Y338 HydrophobicContact CD1-CG 3.94Å; L312-Y338 HydrophobicContact CD2-CD1 3.99Å; L312-Y338 HydrophobicContact CD2-CG 3.88Å; L312-Y338 HydrophobicContact CG-CG 4.5Å
313A98.4Very high97.6Very high1 Ų160 Ų601%0.00829%0.294CS..Hα-helixtrans-63.1-38.8177.100000112.3V295 A298 A309 E311 V316 F317V295-A313 HydrophobicContact CG2-CB 3.97Å; A298-A313 HydrophobicContact CB-CB 4.02Å; A309-A313 WeakPolarHBondContact O-CB 3.49Å; A309-A313 PolarHBondContact O-N 3.3Å; E311-A313 PolarHBondContact O-N 2.86Å; A313-V316 PolarHBondContact O-N 2.75Å; A313-F317 WeakPolarHBondContact O-CB 3.39Å; A313-F317 PolarHBondContact O-N 3.22Å
314N98.3Very high97.4Very high64 Ų6460.4 Ų60.434%0.34230%0.298SS..Hα-helixtrans-68.6-41174.9-79.2-50.9000112.5L310 E311 L312 V316 F317 Q318L310-N314 WeakPolarHBondContact CD1-ND2 3.42Å; L310-N314 WeakPolarHBondContact O-CB 3.28Å; L310-N314 PolarHBondContact O-N 3.11Å; L310-N314 PolarHBondContact O-ND2 3.09Å; E311-N314 PolarHBondContact O-N 3.26Å; L312-N314 VanDerWaalsContact C-N 3.34Å; L312-N314 PolarHBondContact O-N 3.25Å; N314-V316 VanDerWaalsContact C-N 3.3Å; N314-V316 PolarHBondContact O-N 3.18Å; N314-F317 WeakPolarHBondContact O-CB 3.39Å; N314-F317 PolarHBondContact O-N 3.39Å; N314-Q318 WeakPolarHBondContact O-CG 3.38Å; N314-Q318 PolarHBondContact O-N 3.4Å
315T98.2Very high97Very high71 Ų7160.7 Ų60.744%0.43630%0.299SS..Hα-helixtrans-59.4-44.2173.9-58.40000110.6E311 L312 F317 Q318 S319E311-T315 PolarHBondContact O-N 3.14Å; E311-T315 PolarHBondContact O-OG1 3.32Å; E311-T315 VanDerWaalsContact O-OG1 3.12Å; L312-T315 PolarHBondContact O-N 2.91Å; T315-F317 PolarHBondContact O-N 2.97Å; T315-Q318 WeakPolarHBondContact O-CB 3.27Å; T315-Q318 PolarHBondContact O-N 3.45Å; T315-S319 PolarHBondContact O-N 3.27Å; T315-S319 PolarHBondContact O-OG 2.96Å
316V98.2Very high96.7Very high7 Ų764.7 Ų64.74%0.04233%0.325CS..Hα-helixtrans-65.2-39.9177.2168.20000111.4L312 A313 N314 Q318 S319 C320 H331 L332 A335L312-V316 HydrophobicContact CD2-CG2 4.48Å; L312-V316 VanDerWaalsContact O-CG2 3.3Å; L312-V316 WeakPolarHBondContact O-CG2 3.32Å; L312-V316 PolarHBondContact O-N 3.21Å; A313-V316 PolarHBondContact O-N 2.75Å; N314-V316 VanDerWaalsContact C-N 3.3Å; N314-V316 PolarHBondContact O-N 3.18Å; V316-Q318 VanDerWaalsContact C-N 3.33Å; V316-Q318 PolarHBondContact O-N 3.07Å; V316-S319 PolarHBondContact O-N 3.19Å; V316-C320 PolarHBondContact O-N 3.05Å; V316-C320 PolarHBondContact O-SG 3.3Å; V316-H331 HydrophobicContact CG1-CB 4.27Å; V316-H331 WeakPolarHBondContact CG1-O 3.46Å; V316-L332 HydrophobicContact CG1-CD2 4.2Å; V316-A335 HydrophobicContact CB-CB 4.13Å; V316-A335 HydrophobicContact CG1-CB 3.86Å; V316-A335 HydrophobicContact CG2-CB 3.88Å
317F98.1Very high96.5Very high49 Ų4969.3 Ų69.322%0.21535%0.346CS..Hα-helixtrans-57.4-45.9172.3177.6-90.9000111.9L288 A291 R292 V295 A313 N314 T315 C320 Q321L288-F317 HydrophobicContact CB-CE2 4.35Å; L288-F317 HydrophobicContact CD2-CE2 4.09Å; L288-F317 HydrophobicContact CD2-CZ 4.39Å; A291-F317 HydrophobicContact CB-CB 4.05Å; A291-F317 HydrophobicContact CB-CD2 3.64Å; A291-F317 HydrophobicContact CB-CG 4.32Å; R292-F317 HydrophobicContact CG-CD2 4.2Å; R292-F317 HydrophobicContact CG-CE2 3.66Å; V295-F317 HydrophobicContact CG2-CB 4.19Å; A313-F317 WeakPolarHBondContact O-CB 3.39Å; A313-F317 PolarHBondContact O-N 3.22Å; N314-F317 WeakPolarHBondContact O-CB 3.39Å; N314-F317 PolarHBondContact O-N 3.39Å; T315-F317 PolarHBondContact O-N 2.97Å; F317-C320 PolarHBondContact O-N 3.2Å; F317-Q321 PolarHBondContact O-N 3.39Å
318Q98Very high96.5Very high101 Ų10164.8 Ų64.847%0.47232%0.323SS..Hα-helixtrans-63.8-44.5175.9-70.1175.4-3.400112.2N314 T315 V316 C320 Q321 F322N314-Q318 WeakPolarHBondContact O-CG 3.38Å; N314-Q318 PolarHBondContact O-N 3.4Å; T315-Q318 WeakPolarHBondContact O-CB 3.27Å; T315-Q318 PolarHBondContact O-N 3.45Å; V316-Q318 VanDerWaalsContact C-N 3.33Å; V316-Q318 PolarHBondContact O-N 3.07Å; Q318-C320 VanDerWaalsContact C-N 3.29Å; Q318-C320 PolarHBondContact O-N 3.17Å; Q318-Q321 WeakPolarHBondContact O-CB 3.45Å; Q318-Q321 PolarHBondContact O-N 3.38Å; Q318-Q321 VanDerWaalsContact O-N 3.1Å; Q318-F322 HydrophobicContact CB-CD2 4.42Å; Q318-F322 HydrophobicContact CB-CE2 4.04Å; Q318-F322 VanDerWaalsContact O-CD2 3.22Å; Q318-F322 WeakPolarHBondContact O-CD2 3.24Å; Q318-F322 WeakPolarHBondContact O-CG 3.32Å; Q318-F322 PolarHBondContact O-N 2.98Å
319S97.3Very high96.4Very high26 Ų2659.7 Ų59.718%0.18231%0.309CS..Hα-helixtrans-57-42.9174.3-63.10000111.6T315 V316 Q321 F322 I323T315-S319 PolarHBondContact O-N 3.27Å; T315-S319 PolarHBondContact O-OG 2.96Å; V316-S319 PolarHBondContact O-N 3.19Å; S319-Q321 VanDerWaalsContact C-N 3.33Å; S319-Q321 PolarHBondContact O-N 3.34Å; S319-F322 PolarHBondContact O-N 3.45Å; S319-I323 VanDerWaalsContact O-CB 3.28Å; S319-I323 WeakPolarHBondContact O-CB 3.24Å; S319-I323 WeakPolarHBondContact O-CG1 3.5Å; S319-I323 PolarHBondContact O-N 2.92Å
320C96.9Very high96.4Very high3 Ų363.8 Ų63.82%0.0233%0.333CS..Hα-helixtrans-63.4-38.4176.1-65.90000112.3L288 V316 F317 Q318 G324 C328 L332L288-C320 HydrophobicContact CD2-CB 3.97Å; V316-C320 PolarHBondContact O-N 3.05Å; V316-C320 PolarHBondContact O-SG 3.3Å; F317-C320 PolarHBondContact O-N 3.2Å; Q318-C320 VanDerWaalsContact C-N 3.29Å; Q318-C320 PolarHBondContact O-N 3.17Å; C320-G324 WeakPolarHBondContact O-CA 3.32Å; C320-G324 PolarHBondContact O-N 3.24Å; C320-C328 HydrophobicContact CB-CB 4.31Å; C320-L332 VanDerWaalsContact SG-CD2 3.6Å
321Q96.4Very high96.4Very high113 Ų11362.8 Ų62.853%0.52833%0.327SS..Hα-helixtrans-68.5-38.3177.6-172-177.4-44.800112.8L288 F317 Q318 S319L288-Q321 HydrophobicContact CD2-CB 3.94Å; F317-Q321 PolarHBondContact O-N 3.39Å; Q318-Q321 WeakPolarHBondContact O-CB 3.45Å; Q318-Q321 PolarHBondContact O-N 3.38Å; Q318-Q321 VanDerWaalsContact O-N 3.1Å; S319-Q321 VanDerWaalsContact C-N 3.33Å; S319-Q321 PolarHBondContact O-N 3.34Å
322F96.5Very high96.4Very high155 Ų15556.5 Ų56.568%0.6830%0.297SS*.Hα-helixtrans-83.3-35.7-177.2-62.3-37.8000113.7Q318 S319Q318-F322 HydrophobicContact CB-CD2 4.42Å; Q318-F322 HydrophobicContact CB-CE2 4.04Å; Q318-F322 VanDerWaalsContact O-CD2 3.22Å; Q318-F322 WeakPolarHBondContact O-CD2 3.24Å; Q318-F322 WeakPolarHBondContact O-CG 3.32Å; Q318-F322 PolarHBondContact O-N 2.98Å; S319-F322 PolarHBondContact O-N 3.45Å
323I94.9Very high96.4Very high82 Ų8257 Ų5742%0.42130%0.301SS..Hα-helixtrans-98.1-45.6-172.4-58.7175.1000111S319 E327S319-I323 VanDerWaalsContact O-CB 3.28Å; S319-I323 WeakPolarHBondContact O-CB 3.24Å; S319-I323 WeakPolarHBondContact O-CG1 3.5Å; S319-I323 PolarHBondContact O-N 2.92Å; I323-E327 HydrophobicContact CG2-CB 3.49Å; I323-E327 VanDerWaalsContact CG2-CB 3.49Å; I323-E327 HydrophobicContact CG2-CG 4.46Å
324G91.5Very high96.4Very high22 Ų2262.2 Ų62.223%0.22733%0.326CS..  trans72.5179.5-172.600000114.1C320 E327 C328C320-G324 WeakPolarHBondContact O-CA 3.32Å; C320-G324 PolarHBondContact O-N 3.24Å; G324-E327 PolarHBondContact O-N 3.39Å; G324-C328 WeakPolarHBondContact O-CB 3.47Å; G324-C328 PolarHBondContact O-N 2.93Å; G324-C328 PolarHBondContact O-SG 2.55Å
325L90.2Very high96.4Very high63 Ų6359.2 Ų59.233%0.3331%0.31SS..THydrogen-bonded Turntrans-81.8150.6172.8-76.2172.6000110.5V281 P287 N329V281-L325 HydrophobicContact CG1-CD1 4.21Å; V281-L325 HydrophobicContact CG1-CD2 3.77Å; P287-L325 HydrophobicContact CB-CD1 4.24Å; P287-L325 HydrophobicContact CB-CG 4.1Å; P287-L325 HydrophobicContact CG-CD1 4.08Å; P287-L325 HydrophobicContact CG-CG 3.98Å; L325-N329 HydrophobicContact CD2-CB 3.9Å
326P91.9Very high96.5Very high84 Ų8455.8 Ų55.855%0.54529%0.289SS..THydrogen-bonded Turncis-80.5-15.66.231.6-36.9000115.5C328 N329P326-C328 PolarHBondContact O-N 3.16Å; P326-N329 WeakPolarHBondContact O-CB 3.42Å; P326-N329 PolarHBondContact O-N 2.76Å; P326-N329 PolarHBondContact O-ND2 3.34Å; P326-N329 PolarHBondContact O-OD1 2.96Å
327E94.3Very high96.5Very high114 Ų11458.5 Ų58.553%0.53330%0.302SS..THydrogen-bonded Turntrans-74.2-23.8-166.1-61.477.8-172.600114.1I323 G324 N329 H331I323-E327 HydrophobicContact CG2-CB 3.49Å; I323-E327 VanDerWaalsContact CG2-CB 3.49Å; I323-E327 HydrophobicContact CG2-CG 4.46Å; G324-E327 PolarHBondContact O-N 3.39Å; E327-N329 PolarHBondContact O-N 2.89Å; E327-H331 PolarHBondContact O-ND1 3.09Å
328C96.4Very high96.5Very high0 Ų059.5 Ų59.50%031%0.305CS..THydrogen-bonded Turntrans-75.8-9.5177.178.80000113.8C320 G324 P326 V330 H331 L332C320-C328 HydrophobicContact CB-CB 4.31Å; G324-C328 WeakPolarHBondContact O-CB 3.47Å; G324-C328 PolarHBondContact O-N 2.93Å; G324-C328 PolarHBondContact O-SG 2.55Å; P326-C328 PolarHBondContact O-N 3.16Å; C328-V330 VanDerWaalsContact C-N 3.27Å; C328-V330 PolarHBondContact O-N 2.91Å; C328-H331 WeakPolarHBondContact O-CB 2.89Å; C328-H331 PolarHBondContact O-N 2.95Å; C328-L332 PolarHBondContact O-N 3.39Å; C328-L332 VanDerWaalsContact O-N 3.08Å
329N96.5Very high96.5Very high63 Ų6354.7 Ų54.734%0.33728%0.283SS..Hα-helixtrans-56-41.2-179.467.3-11.9000112.2V281 L325 P326 E327 H331 L332 T333V281-N329 HydrophobicContact CG1-CB 4.28Å; L325-N329 HydrophobicContact CD2-CB 3.9Å; P326-N329 WeakPolarHBondContact O-CB 3.42Å; P326-N329 PolarHBondContact O-N 2.76Å; P326-N329 PolarHBondContact O-ND2 3.34Å; P326-N329 PolarHBondContact O-OD1 2.96Å; E327-N329 PolarHBondContact O-N 2.89Å; N329-H331 VanDerWaalsContact C-N 3.29Å; N329-H331 PolarHBondContact O-N 3.41Å; N329-L332 WeakPolarHBondContact O-CB 3.43Å; N329-L332 PolarHBondContact O-N 3.03Å; N329-T333 PolarHBondContact O-N 3Å; N329-T333 PolarHBondContact O-OG1 3.43Å
330V97.7Very high96.6Very high86 Ų8653.5 Ų53.552%0.52127%0.274SS..Hα-helixtrans-67-31.5179.269.50000111.9C328 T333 Q334C328-V330 VanDerWaalsContact C-N 3.27Å; C328-V330 PolarHBondContact O-N 2.91Å; V330-T333 PolarHBondContact O-N 3.32Å; V330-Q334 WeakPolarHBondContact O-CB 3.34Å; V330-Q334 PolarHBondContact O-N 2.93Å
331H98.3Very high96.7Very high48 Ų4859 Ų5922%0.22230%0.303CS..Hα-helixtrans-71-42.3177-57.977000110.4V316 E327 C328 N329 Q334 A335V316-H331 HydrophobicContact CG1-CB 4.27Å; V316-H331 WeakPolarHBondContact CG1-O 3.46Å; E327-H331 PolarHBondContact O-ND1 3.09Å; C328-H331 WeakPolarHBondContact O-CB 2.89Å; C328-H331 PolarHBondContact O-N 2.95Å; N329-H331 VanDerWaalsContact C-N 3.29Å; N329-H331 PolarHBondContact O-N 3.41Å; H331-Q334 PolarHBondContact O-N 3.37Å; H331-A335 PolarHBondContact O-N 3.23Å
332L98.3Very high96.7Very high0 Ų054 Ų540%028%0.281CS..Hα-helixtrans-60.6-45.6171.1-68.5172.9000111L277 V281 P287 I290 A291 L294 V316 C320 C328 N329 Q334 A335 V336L277-L332 HydrophobicContact CD1-CB 3.92Å; L277-L332 HydrophobicContact CD1-CD1 4.25Å; L277-L332 HydrophobicContact CD2-CB 3.99Å; V281-L332 HydrophobicContact CG2-CD1 4.34Å; P287-L332 HydrophobicContact CB-CD1 3.99Å; I290-L332 HydrophobicContact CB-CD1 4.4Å; I290-L332 HydrophobicContact CB-CD2 4.25Å; I290-L332 HydrophobicContact CD1-CD1 4.31Å; I290-L332 HydrophobicContact CG2-CD1 4.42Å; I290-L332 HydrophobicContact CG2-CD2 4.03Å; A291-L332 HydrophobicContact CB-CD2 4Å; L294-L332 HydrophobicContact CD1-CD2 4.12Å; V316-L332 HydrophobicContact CG1-CD2 4.2Å; C320-L332 VanDerWaalsContact SG-CD2 3.6Å; C328-L332 PolarHBondContact O-N 3.39Å; C328-L332 VanDerWaalsContact O-N 3.08Å; N329-L332 WeakPolarHBondContact O-CB 3.43Å; N329-L332 PolarHBondContact O-N 3.03Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; L332-Q334 PolarHBondContact O-N 2.86Å; L332-A335 WeakPolarHBondContact O-CB 3.48Å; L332-A335 PolarHBondContact O-N 2.93Å; L332-V336 WeakPolarHBondContact O-CG2 3.49Å; L332-V336 PolarHBondContact O-N 3.49Å
333T98.5Very high96.8Very high44 Ų4448.6 Ų48.627%0.2726%0.261SS..Hα-helixtrans-60.6-44.1177.7-59.60000111.4I274 L277 N329 V330 A335 V336 I337I274-T333 HydrophobicContact CG1-CG2 4.48Å; L277-T333 VanDerWaalsContact CD2-CA 3.46Å; L277-T333 WeakPolarHBondContact CD2-OG1 3.24Å; N329-T333 PolarHBondContact O-N 3Å; N329-T333 PolarHBondContact O-OG1 3.43Å; V330-T333 PolarHBondContact O-N 3.32Å; T333-A335 VanDerWaalsContact C-N 3.34Å; T333-A335 PolarHBondContact O-N 2.89Å; T333-V336 PolarHBondContact O-N 2.92Å; T333-I337 HydrophobicContact CG2-CD1 3.87Å; T333-I337 HydrophobicContact CG2-CG1 4.48Å; T333-I337 VanDerWaalsContact O-CG1 3.29Å; T333-I337 WeakPolarHBondContact O-CG1 3.2Å; T333-I337 PolarHBondContact O-N 3.28Å
334Q98.4Very high97Very high112 Ų11246.7 Ų46.752%0.52325%0.25SS..Hα-helixtrans-58.8-44.5175.4-179.2-179.9-16.400111.6V330 H331 L332 I337 Y338V330-Q334 WeakPolarHBondContact O-CB 3.34Å; V330-Q334 PolarHBondContact O-N 2.93Å; H331-Q334 PolarHBondContact O-N 3.37Å; L332-Q334 VanDerWaalsContact C-N 3.35Å; L332-Q334 PolarHBondContact O-N 2.86Å; Q334-I337 PolarHBondContact O-N 2.88Å; Q334-Y338 WeakPolarHBondContact O-CB 3.35Å; Q334-Y338 PolarHBondContact O-N 3.49Å
335A98.6Very high97.3Very high0 Ų045.9 Ų45.90%024%0.241CC..Hα-helixtrans-63.5-46175.700000112.4L294 L312 V316 H331 L332 T333 I337 Y338 L339L294-A335 HydrophobicContact CD1-CB 3.69Å; L312-A335 HydrophobicContact CD2-CB 4.18Å; V316-A335 HydrophobicContact CB-CB 4.13Å; V316-A335 HydrophobicContact CG1-CB 3.86Å; V316-A335 HydrophobicContact CG2-CB 3.88Å; H331-A335 PolarHBondContact O-N 3.23Å; L332-A335 WeakPolarHBondContact O-CB 3.48Å; L332-A335 PolarHBondContact O-N 2.93Å; T333-A335 VanDerWaalsContact C-N 3.34Å; T333-A335 PolarHBondContact O-N 2.89Å; A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 3.27Å; A335-Y338 PolarHBondContact O-N 3.42Å; A335-L339 WeakPolarHBondContact O-CB 3.32Å; A335-L339 WeakPolarHBondContact O-CG 3.4Å; A335-L339 PolarHBondContact O-N 3.4Å
336V98.7Very high97.6Very high0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-59.4-44.5178.5166.70000111L261 M265 A273 I274 L277 L294 L332 T333 S340L261-V336 HydrophobicContact CD1-CG1 4.11Å; L261-V336 HydrophobicContact CD1-CG2 4.03Å; M265-V336 HydrophobicContact CG-CG1 4.28Å; M265-V336 HydrophobicContact SD-CB 4.38Å; M265-V336 HydrophobicContact SD-CG1 4.19Å; M265-V336 HydrophobicContact SD-CG2 4.08Å; A273-V336 HydrophobicContact CB-CG1 3.54Å; I274-V336 HydrophobicContact CG1-CG1 4.47Å; L277-V336 HydrophobicContact CB-CG2 4.39Å; L277-V336 HydrophobicContact CD2-CB 4.31Å; L277-V336 HydrophobicContact CD2-CG2 3.92Å; L294-V336 HydrophobicContact CD1-CG2 4.06Å; L294-V336 HydrophobicContact CD2-CG2 3.89Å; L332-V336 WeakPolarHBondContact O-CG2 3.49Å; L332-V336 PolarHBondContact O-N 3.49Å; T333-V336 PolarHBondContact O-N 2.92Å; V336-S340 WeakPolarHBondContact O-CB 3.44Å; V336-S340 PolarHBondContact O-N 3.43Å; V336-S340 PolarHBondContact O-OG 3.4Å
337I98.7Very high97.9Very high63 Ų6343.8 Ų43.832%0.32323%0.226SC..Hα-helixtrans-60.7-50.5176.5-69.1166.1000110.7V270 I274 T333 Q334 A335 L339 S340 L341V270-I337 HydrophobicContact CG1-CB 4.32Å; V270-I337 HydrophobicContact CG1-CG1 3.96Å; V270-I337 HydrophobicContact CG1-CG2 4.32Å; I274-I337 HydrophobicContact CD1-CD1 4.06Å; I274-I337 HydrophobicContact CD1-CG1 3.81Å; I274-I337 HydrophobicContact CG1-CG1 4.12Å; T333-I337 HydrophobicContact CG2-CD1 3.87Å; T333-I337 HydrophobicContact CG2-CG1 4.48Å; T333-I337 VanDerWaalsContact O-CG1 3.29Å; T333-I337 WeakPolarHBondContact O-CG1 3.2Å; T333-I337 PolarHBondContact O-N 3.28Å; Q334-I337 PolarHBondContact O-N 2.88Å; A335-I337 VanDerWaalsContact C-N 3.32Å; A335-I337 PolarHBondContact O-N 3.27Å; I337-L339 PolarHBondContact O-N 2.84Å; I337-S340 PolarHBondContact O-N 3.2Å; I337-L341 HydrophobicContact CG2-CD1 4.03Å; I337-L341 WeakPolarHBondContact O-CG 3.5Å; I337-L341 PolarHBondContact O-N 3.29Å
338Y98.7Very high98.1Very high71 Ų7141 Ų4128%0.27822%0.216SC..Hα-helixtrans-58.5-51.8-179.1-174.3-81.5000111.6D306 A309 L312 Q334 A335 S340 L341 A342D306-Y338 WeakPolarHBondContact OD2-CE1 3.25Å; D306-Y338 PolarHBondContact OD2-OH 3.45Å; A309-Y338 HydrophobicContact CB-CE1 4.17Å; L312-Y338 HydrophobicContact CD1-CD1 4.4Å; L312-Y338 HydrophobicContact CD1-CD2 3.76Å; L312-Y338 HydrophobicContact CD1-CE2 4.05Å; L312-Y338 HydrophobicContact CD1-CG 3.94Å; L312-Y338 HydrophobicContact CD2-CD1 3.99Å; L312-Y338 HydrophobicContact CD2-CG 3.88Å; L312-Y338 HydrophobicContact CG-CG 4.5Å; Q334-Y338 WeakPolarHBondContact O-CB 3.35Å; Q334-Y338 PolarHBondContact O-N 3.49Å; A335-Y338 PolarHBondContact O-N 3.42Å; Y338-S340 VanDerWaalsContact C-N 3.33Å; Y338-S340 PolarHBondContact O-N 3Å; Y338-L341 PolarHBondContact O-N 3.01Å; Y338-A342 WeakPolarHBondContact O-CB 3.41Å; Y338-A342 PolarHBondContact O-N 3.39Å
339L98.7Very high98.1Very high0 Ų042.4 Ų42.40%022%0.224CC..Hα-helixtrans-67.8-33.2-176.9-62.6173.2000112M265 L294 F297 A298 I302 A309 A335 I337 K344M265-L339 HydrophobicContact SD-CB 4.37Å; L294-L339 HydrophobicContact CB-CD1 3.85Å; L294-L339 HydrophobicContact CD2-CD1 4.12Å; L294-L339 HydrophobicContact CG-CD1 4.43Å; F297-L339 HydrophobicContact CD1-CB 3.95Å; F297-L339 HydrophobicContact CD1-CD1 4.29Å; F297-L339 HydrophobicContact CE1-CB 4.02Å; A298-L339 HydrophobicContact CB-CD2 3.9Å; I302-L339 HydrophobicContact CD1-CB 3.94Å; I302-L339 HydrophobicContact CD1-CD2 3.42Å; I302-L339 VanDerWaalsContact CD1-CD2 3.42Å; I302-L339 HydrophobicContact CD1-CG 4.27Å; A309-L339 HydrophobicContact CB-CD2 3.88Å; A335-L339 WeakPolarHBondContact O-CB 3.32Å; A335-L339 WeakPolarHBondContact O-CG 3.4Å; A335-L339 PolarHBondContact O-N 3.4Å; I337-L339 PolarHBondContact O-N 2.84Å; L339-K344 PolarHBondContact O-NZ 2.6Å
340S98.5Very high98.2Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-65-40173.9-59.30000111.8M265 S268 V336 I337 Y338 K344M265-S340 WeakPolarHBondContact CG-OG 3.35Å; S268-S340 WeakPolarHBondContact CA-O 3.49Å; S268-S340 VanDerWaalsContact CB-O 3.27Å; S268-S340 WeakPolarHBondContact CB-O 3.19Å; S268-S340 PolarHBondContact OG-O 2.9Å; V336-S340 WeakPolarHBondContact O-CB 3.44Å; V336-S340 PolarHBondContact O-N 3.43Å; V336-S340 PolarHBondContact O-OG 3.4Å; I337-S340 PolarHBondContact O-N 3.2Å; Y338-S340 VanDerWaalsContact C-N 3.33Å; Y338-S340 PolarHBondContact O-N 3Å; S340-K344 PolarHBondContact O-NZ 2.82Å
341L98.3Very high98.2Very high120 Ų12036.9 Ų36.963%0.62820%0.196SC*.Hα-helixtrans-87.5-15.3-178.1-67.9175.9000114.3V270 I337 Y338V270-L341 HydrophobicContact CG2-CD1 4.45Å; V270-L341 HydrophobicContact CG2-CD2 3.44Å; V270-L341 VanDerWaalsContact CG2-CD2 3.44Å; V270-L341 HydrophobicContact CG2-CG 3.69Å; I337-L341 HydrophobicContact CG2-CD1 4.03Å; I337-L341 WeakPolarHBondContact O-CG 3.5Å; I337-L341 PolarHBondContact O-N 3.29Å; Y338-L341 PolarHBondContact O-N 3.01Å
342A98.2Very high98.1Very high8 Ų841.7 Ų41.77%0.06621%0.213CC..SBendtrans-62.1146.1178.200000112.1I302 Y338 K344I302-A342 HydrophobicContact CD1-CB 3.6Å; I302-A342 HydrophobicContact CG1-CB 3.9Å; I302-A342 HydrophobicContact CG2-CB 4.18Å; Y338-A342 WeakPolarHBondContact O-CB 3.41Å; Y338-A342 PolarHBondContact O-N 3.39Å; A342-K344 PolarHBondContact O-N 2.91Å; A342-K344 PolarHBondContact O-NZ 3.35Å
343P98Very high98.1Very high41 Ų4145.7 Ų45.727%0.26623%0.232SC..PPolyproline II helixtrans-58.5135173.626.7-35.1000110.2A305 D306 Q419A305-P343 HydrophobicContact CB-CB 4.07Å; A305-P343 HydrophobicContact CB-CG 4.03Å; A305-P343 WeakPolarHBondContact CB-O 3.47Å; A305-P343 WeakPolarHBondContact O-CG 3.45Å; D306-P343 HydrophobicContact CB-CG 4.06Å; P343-Q419 HydrophobicContact CB-CB 4.17Å
344K98Very high98Very high42 Ų4248.2 Ų48.218%0.18324%0.237CC..PPolyproline II helixtrans-91.4134-173.7-60.2-65.8-177.7-82.70111.4M265 S268 D301 I302 L339 S340 A342 Q419M265-K344 WeakPolarHBondContact O-CE 3.36Å; M265-K344 PolarHBondContact O-NZ 3.49Å; S268-K344 WeakPolarHBondContact OG-CE 3.41Å; S268-K344 PolarHBondContact OG-NZ 3.12Å; D301-K344 CarbonylContact O-C 3.55Å; D301-K344 VanDerWaalsContact O-CA 3.32Å; D301-K344 WeakPolarHBondContact O-CA 3.5Å; D301-K344 WeakPolarHBondContact O-CD 3.5Å; I302-K344 HydrophobicContact CG1-CD 4.3Å; L339-K344 PolarHBondContact O-NZ 2.6Å; S340-K344 PolarHBondContact O-NZ 2.82Å; A342-K344 PolarHBondContact O-N 2.91Å; A342-K344 PolarHBondContact O-NZ 3.35Å; K344-Q419 WeakPolarHBondContact O-CG 3.43Å
345S98Very high97.9Very high5 Ų544.2 Ų44.24%0.03522%0.222CC..  trans-153.3125.2167.3176.80000109.9D301 I302 A347 E422D301-S345 CarbonylContact C-O 3.51Å; D301-S345 VanDerWaalsContact C-O 3.26Å; D301-S345 PolarHBondContact O-N 3.35Å; I302-S345 CarbonylContact C-O 3.58Å; I302-S345 VanDerWaalsContact C-O 3.28Å; I302-S345 PolarHBondContact N-O 3.31Å; I302-S345 WeakPolarHBondContact O-CB 3.4Å; S345-A347 VanDerWaalsContact C-N 3.34Å; S345-A347 VanDerWaalsContact OG-CB 3.24Å; S345-A347 WeakPolarHBondContact OG-CB 3.49Å; S345-A347 PolarHBondContact OG-N 2.93Å; S345-A347 VanDerWaalsContact OG-N 3.09Å; S345-E422 VanDerWaalsContact CB-OE2 3.24Å; S345-E422 WeakPolarHBondContact CB-OE2 3.48Å; S345-E422 PolarHBondContact OG-OE1 3.38Å; S345-E422 PolarHBondContact OG-OE2 2.81Å
346N97.8Very high97.7Very high98 Ų9848 Ų4852%0.52424%0.239SC..  trans-95.812.8168.572.6-20.9000112.4E300 V348 D349 A350E300-N346 VanDerWaalsContact O-CA 3.3Å; E300-N346 WeakPolarHBondContact O-CA 3.29Å; N346-V348 PolarHBondContact O-N 3.49Å; N346-D349 PolarHBondContact O-N 3.32Å; N346-A350 VanDerWaalsContact O-CB 3.3Å; N346-A350 WeakPolarHBondContact O-CB 3.36Å; N346-A350 PolarHBondContact O-N 2.61Å
347A98Very high97.4Very high4 Ų453.4 Ų53.43%0.03326%0.263CS..Hα-helixtrans-61.6-32.9-173.100000112.8S345 A351 Y414 L415 T417S345-A347 VanDerWaalsContact C-N 3.34Å; S345-A347 VanDerWaalsContact OG-CB 3.24Å; S345-A347 WeakPolarHBondContact OG-CB 3.49Å; S345-A347 PolarHBondContact OG-N 2.93Å; S345-A347 VanDerWaalsContact OG-N 3.09Å; A347-A351 VanDerWaalsContact O-CB 3.28Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 2.95Å; A347-Y414 HydrophobicContact CB-CD2 4.34Å; A347-Y414 HydrophobicContact CB-CE2 3.92Å; A347-L415 WeakPolarHBondContact CB-O 3.39Å; A347-T417 HydrophobicContact CB-CG2 4.39Å
348V97.3Very high97.1Very high55 Ų5551.5 Ų51.533%0.33325%0.253SS..Hα-helixtrans-66.5-50.3175.8177.40000111.1L304 N346 A351 Y352L304-V348 HydrophobicContact CB-CG2 4.47Å; L304-V348 HydrophobicContact CD1-CG2 4.33Å; L304-V348 HydrophobicContact CG-CG2 3.94Å; N346-V348 PolarHBondContact O-N 3.49Å; V348-A351 WeakPolarHBondContact O-CB 3.28Å; V348-A351 PolarHBondContact O-N 2.94Å; V348-Y352 PolarHBondContact O-N 2.9Å
349D96.9Very high96.5Very high31 Ų3153.6 Ų53.617%0.16627%0.273CS..Hα-helixtrans-64.1-45.2178-171.680.2000111R296 E300 N346 A351 Y352 Q353R296-D349 IonicContact CZ-OD1 3.38Å; R296-D349 IonicContact NH1-OD1 3.75Å; R296-D349 IonicContact NH2-OD1 3.79Å; R296-D349 PolarHBondContact NH2-OD1 2.86Å; E300-D349 HydrophobicContact CG-CB 4.27Å; N346-D349 PolarHBondContact O-N 3.32Å; D349-A351 VanDerWaalsContact C-N 3.28Å; D349-A351 PolarHBondContact O-N 2.94Å; D349-Y352 PolarHBondContact O-N 3.13Å; D349-Y352 VanDerWaalsContact O-N 3.14Å; D349-Q353 WeakPolarHBondContact O-CG 3.19Å; D349-Q353 PolarHBondContact O-N 3.31Å
350A97.8Very high95.9Very high18 Ų1862.2 Ų62.215%0.14931%0.307CS..Hα-helixtrans-59.6-36.6176.700000112.7N346 Q353 R354N346-A350 VanDerWaalsContact O-CB 3.3Å; N346-A350 WeakPolarHBondContact O-CB 3.36Å; N346-A350 PolarHBondContact O-N 2.61Å; A350-Q353 PolarHBondContact O-N 3.33Å; A350-R354 VanDerWaalsContact O-CG 3.32Å; A350-R354 WeakPolarHBondContact O-CG 3.28Å; A350-R354 PolarHBondContact O-N 2.79Å
351A98Very high95.3Very high14 Ų1468.4 Ų68.412%0.11634%0.336CS..Hα-helixtrans-61.9-46175.500000111.7A347 V348 D349 R354 A355 Y413 Y414A347-A351 VanDerWaalsContact O-CB 3.28Å; A347-A351 WeakPolarHBondContact O-CB 3.39Å; A347-A351 PolarHBondContact O-N 2.95Å; V348-A351 WeakPolarHBondContact O-CB 3.28Å; V348-A351 PolarHBondContact O-N 2.94Å; D349-A351 VanDerWaalsContact C-N 3.28Å; D349-A351 PolarHBondContact O-N 2.94Å; A351-R354 PolarHBondContact O-N 2.89Å; A351-A355 PolarHBondContact O-N 3.15Å; A351-Y413 VanDerWaalsContact CA-O 3.32Å; A351-Y413 WeakPolarHBondContact CA-O 3.28Å; A351-Y413 WeakPolarHBondContact CB-O 3.42Å; A351-Y414 HydrophobicContact CB-CD2 4.4Å
352Y97.7Very high94.4Very high150 Ų15065.2 Ų65.259%0.58832%0.321SS*.Hα-helixtrans-64.2-42.3176-180-98.4000111.8V348 D349 R354 A355 K356V348-Y352 PolarHBondContact O-N 2.9Å; D349-Y352 PolarHBondContact O-N 3.13Å; D349-Y352 VanDerWaalsContact O-N 3.14Å; Y352-R354 VanDerWaalsContact C-N 3.34Å; Y352-R354 PolarHBondContact O-N 3.44Å; Y352-A355 PolarHBondContact O-N 3.42Å; Y352-K356 HydrophobicContact CE1-CB 4.36Å; Y352-K356 HydrophobicContact CE1-CD 3.98Å; Y352-K356 WeakPolarHBondContact O-CB 3.42Å; Y352-K356 PolarHBondContact O-N 3.33Å
353Q97.3Very high93.4Very high84 Ų8471.7 Ų71.739%0.39335%0.352SS..Hα-helixtrans-63.3-38.5178.4-63-54.9-27.200112.5D349 A350 K357D349-Q353 WeakPolarHBondContact O-CG 3.19Å; D349-Q353 PolarHBondContact O-N 3.31Å; A350-Q353 PolarHBondContact O-N 3.33Å; Q353-K357 PolarHBondContact O-N 3Å
354R96.8Very high92.6Very high97 Ų9777.6 Ų77.637%0.36638%0.381SS..Hα-helixtrans-64.6-47.6174.2-69.4174.6-166.8125.34.9111.6A350 A351 Y352 K356 K357 D358 Y413A350-R354 VanDerWaalsContact O-CG 3.32Å; A350-R354 WeakPolarHBondContact O-CG 3.28Å; A350-R354 PolarHBondContact O-N 2.79Å; A351-R354 PolarHBondContact O-N 2.89Å; Y352-R354 VanDerWaalsContact C-N 3.34Å; Y352-R354 PolarHBondContact O-N 3.44Å; R354-K356 VanDerWaalsContact C-N 3.35Å; R354-K356 PolarHBondContact O-N 3.46Å; R354-K357 WeakPolarHBondContact O-CB 3.37Å; R354-K357 PolarHBondContact O-N 3.41Å; R354-D358 PolarHBondContact O-N 3.13Å; R354-Y413 HydrophobicContact CB-CD1 3.78Å; R354-Y413 HydrophobicContact CB-CE1 4.46Å; R354-Y413 PolarHBondContact NH1-O 3.08Å
355A95.1Very high91.7Very high27 Ų2778.3 Ų78.322%0.22339%0.385CS..Hα-helixtrans-63.9-40.6177.700000112.3A351 Y352 K357 D358 V359 Y413A351-A355 PolarHBondContact O-N 3.15Å; Y352-A355 PolarHBondContact O-N 3.42Å; A355-K357 VanDerWaalsContact C-N 3.28Å; A355-K357 PolarHBondContact O-N 2.92Å; A355-D358 PolarHBondContact O-N 3.27Å; A355-V359 WeakPolarHBondContact O-CG2 3.48Å; A355-V359 PolarHBondContact O-N 3.12Å; A355-Y413 VanDerWaalsContact CA-CE1 3.43Å; A355-Y413 HydrophobicContact CB-CD1 3.84Å; A355-Y413 HydrophobicContact CB-CD2 4.12Å; A355-Y413 HydrophobicContact CB-CE1 3.93Å; A355-Y413 HydrophobicContact CB-CE2 4.21Å; A355-Y413 HydrophobicContact CB-CG 3.94Å
356K94.4Very high90.8Very high80 Ų8081.9 Ų81.935%0.34841%0.408SS..Hα-helixtrans-59.4-40.8175.2179.9179.5176.7-175.60111.3Y352 R354 V359 Y360Y352-K356 HydrophobicContact CE1-CB 4.36Å; Y352-K356 HydrophobicContact CE1-CD 3.98Å; Y352-K356 WeakPolarHBondContact O-CB 3.42Å; Y352-K356 PolarHBondContact O-N 3.33Å; R354-K356 VanDerWaalsContact C-N 3.35Å; R354-K356 PolarHBondContact O-N 3.46Å; K356-V359 PolarHBondContact O-N 3.48Å; K356-Y360 HydrophobicContact CD-CE2 4.27Å; K356-Y360 HydrophobicContact CG-CD2 4Å; K356-Y360 HydrophobicContact CG-CE2 3.67Å; K356-Y360 WeakPolarHBondContact O-CD2 3.48Å; K356-Y360 PolarHBondContact O-N 3.32Å
357K93.3Very high90.3Very high114 Ų11481 Ų8150%0.49641%0.406SS..Hα-helixtrans-57.8-49.6176.1-174.9-175.5173.5-166.80110.9Q353 R354 A355 V359 Y360 E361Q353-K357 PolarHBondContact O-N 3Å; R354-K357 WeakPolarHBondContact O-CB 3.37Å; R354-K357 PolarHBondContact O-N 3.41Å; A355-K357 VanDerWaalsContact C-N 3.28Å; A355-K357 PolarHBondContact O-N 2.92Å; K357-V359 VanDerWaalsContact C-N 3.34Å; K357-V359 PolarHBondContact O-N 3.46Å; K357-Y360 PolarHBondContact O-N 3Å; K357-E361 WeakPolarHBondContact CE-OE1 3.38Å; K357-E361 WeakPolarHBondContact CE-OE2 3.33Å; K357-E361 HydrophobicContact CG-CG 4.35Å; K357-E361 WeakPolarHBondContact CG-OE1 3.4Å; K357-E361 IonicContact NZ-OE1 3.67Å; K357-E361 IonicContact NZ-OE2 3.96Å; K357-E361 WeakPolarHBondContact O-CG 3.4Å; K357-E361 PolarHBondContact O-N 3.14Å
358D91.4Very high89.8Confident23 Ų2382 Ų8212%0.12341%0.412CS..Hα-helixtrans-63.5-40179.9-67.3-14.6000111.7R354 A355 Y360 E361 T362 H411 Y413R354-D358 PolarHBondContact O-N 3.13Å; A355-D358 PolarHBondContact O-N 3.27Å; D358-Y360 PolarHBondContact O-N 2.83Å; D358-Y360 VanDerWaalsContact O-N 3.12Å; D358-E361 PolarHBondContact O-N 3.4Å; D358-T362 HydrophobicContact CB-CG2 4.29Å; D358-T362 WeakPolarHBondContact O-CB 3.37Å; D358-T362 PolarHBondContact O-N 2.8Å; D358-T362 PolarHBondContact O-OG1 3.13Å; D358-H411 IonicContact OD2-CE1 3.8Å; D358-H411 PolarHBondContact OD2-CE1 3.49Å; D358-H411 IonicContact OD2-CG 2.64Å; D358-H411 IonicContact OD2-ND1 2.61Å; D358-H411 PolarHBondContact OD2-ND1 3.43Å; D358-Y413 WeakPolarHBondContact OD2-CE1 3.37Å; D358-Y413 PolarHBondContact OD2-OH 2.99Å
359V87.5Confident89.2Confident115 Ų11583.3 Ų83.370%0.69742%0.417SS*.Hα-helixtrans-56.1-31.6174.1170.80000113.1A355 K356 K357A355-V359 WeakPolarHBondContact O-CG2 3.48Å; A355-V359 PolarHBondContact O-N 3.12Å; K356-V359 PolarHBondContact O-N 3.48Å; K357-V359 VanDerWaalsContact C-N 3.34Å; K357-V359 PolarHBondContact O-N 3.46Å
360Y84.7Confident88.9Confident180 Ų18083.4 Ų83.471%0.70642%0.419SS*.Hα-helixtrans-86.9-27.7176.1-75.9-69.2000113.9K356 K357 D358K356-Y360 HydrophobicContact CD-CE2 4.27Å; K356-Y360 HydrophobicContact CG-CD2 4Å; K356-Y360 HydrophobicContact CG-CE2 3.67Å; K356-Y360 WeakPolarHBondContact O-CD2 3.48Å; K356-Y360 PolarHBondContact O-N 3.32Å; K357-Y360 PolarHBondContact O-N 3Å; D358-Y360 PolarHBondContact O-N 2.83Å; D358-Y360 VanDerWaalsContact O-N 3.12Å
361E87Confident88.6Confident131 Ų13185.4 Ų85.461%0.61243%0.426SS*.Hα-helixtrans-98.1-23.4-171.9-70-177.6-173.600113.6K357 D358K357-E361 WeakPolarHBondContact CE-OE1 3.38Å; K357-E361 WeakPolarHBondContact CE-OE2 3.33Å; K357-E361 HydrophobicContact CG-CG 4.35Å; K357-E361 WeakPolarHBondContact CG-OE1 3.4Å; K357-E361 IonicContact NZ-OE1 3.67Å; K357-E361 IonicContact NZ-OE2 3.96Å; K357-E361 WeakPolarHBondContact O-CG 3.4Å; K357-E361 PolarHBondContact O-N 3.14Å; D358-E361 PolarHBondContact O-N 3.4Å
362T79.9Confident88Confident53 Ų5387.7 Ų87.733%0.32543%0.432SS..SBendtrans-101.4169.3-177.871.20000112D358 L408D358-T362 HydrophobicContact CB-CG2 4.29Å; D358-T362 WeakPolarHBondContact O-CB 3.37Å; D358-T362 PolarHBondContact O-N 2.8Å; D358-T362 PolarHBondContact O-OG1 3.13Å; T362-L408 HydrophobicContact CG2-CD2 3.83Å
363M77Confident87.4Confident143 Ų14386.7 Ų86.770%0.70444%0.437SS*.  trans-62153.2172.7-68.9-162.1-65.800110.7E365M363-E365 PolarHBondContact O-N 3.02Å
364N80.4Confident86.6Confident166 Ų16683.6 Ų83.689%0.88843%0.425SS*.  trans-73.575.3172.1-17526.3000109.5
365E78.9Confident85.7Confident56 Ų5683.2 Ų83.226%0.26244%0.436SS..PPolyproline II helixtrans-62.8134.3-176.2-66.7-68.6177.100111M363 P405 S407M363-E365 PolarHBondContact O-N 3.02Å; E365-P405 HydrophobicContact CB-CB 3.7Å; E365-P405 HydrophobicContact CB-CG 3.81Å; E365-P405 HydrophobicContact CG-CB 3.98Å; E365-P405 HydrophobicContact CG-CG 4.48Å; E365-S407 WeakPolarHBondContact CG-OG 3.22Å; E365-S407 VanDerWaalsContact OE1-CB 3.28Å; E365-S407 WeakPolarHBondContact OE1-CB 3.3Å; E365-S407 PolarHBondContact OE1-OG 2.94Å
366P80.7Confident84.3Confident80 Ų8085 Ų8552%0.51944%0.444SS..PPolyproline II helixtrans-71.1149.3175.233-35.6000110.1
367V86.8Confident83.4Confident80 Ų8089.4 Ų89.449%0.48546%0.463SS..PPolyproline II helixtrans-54.2130.2172178.10000109.6L369 I371 R372V367-L369 PolarHBondContact O-N 3.31Å; V367-I371 HydrophobicContact CG1-CD1 3.9Å; V367-I371 HydrophobicContact CG1-CG1 3.63Å; V367-R372 HydrophobicContact CB-CG 4.3Å; V367-R372 HydrophobicContact CG1-CG 4.02Å; V367-R372 VanDerWaalsContact O-CZ 3.24Å; V367-R372 PolarHBondContact O-NE 3.38Å; V367-R372 PolarHBondContact O-NH2 3.37Å
368P87.4Confident82.4Confident25 Ų2589 Ų8916%0.16247%0.466CS..PPolyproline II helixtrans-53.1137.5176.4-28.134.5000112.5V370 I371 R372P368-V370 VanDerWaalsContact C-N 3.25Å; P368-V370 HydrophobicContact CB-CG1 4.3Å; P368-V370 PolarHBondContact O-N 2.53Å; P368-I371 HydrophobicContact CB-CG1 4.29Å; P368-I371 WeakPolarHBondContact O-CG1 3.35Å; P368-I371 PolarHBondContact O-N 3.02Å; P368-I371 VanDerWaalsContact O-N 3.14Å; P368-R372 WeakPolarHBondContact O-CG 3.39Å; P368-R372 PolarHBondContact O-N 3.08Å
369L84.8Confident81.5Confident83 Ų8391 Ų9144%0.43548%0.475SS..G310 helixtrans-53.6-41-174.3-80.6166.5000112.8V367 I371 R372 Y384 G385V367-L369 PolarHBondContact O-N 3.31Å; L369-I371 PolarHBondContact O-N 3.01Å; L369-R372 WeakPolarHBondContact O-CB 3.3Å; L369-R372 PolarHBondContact O-N 3.26Å; L369-Y384 HydrophobicContact CD2-CD2 3.6Å; L369-Y384 HydrophobicContact CD2-CE2 3.66Å; L369-Y384 HydrophobicContact CD2-CG 4.29Å; L369-G385 PolarHBondContact O-N 3.02Å
370V89.6Confident80.9Confident33 Ų3392.1 Ų92.120%0.247%0.471CS..G310 helixtrans-59.5-26.4-178.168.60000114.2P368 E386 D387 Y388 M401P368-V370 VanDerWaalsContact C-N 3.25Å; P368-V370 HydrophobicContact CB-CG1 4.3Å; P368-V370 PolarHBondContact O-N 2.53Å; V370-E386 WeakPolarHBondContact CG2-O 3.48Å; V370-D387 HydrophobicContact CG2-CB 4.49Å; V370-Y388 WeakPolarHBondContact O-CB 3.46Å; V370-Y388 WeakPolarHBondContact O-CD2 3.41Å; V370-M401 HydrophobicContact CG1-CG 4.1Å; V370-M401 HydrophobicContact CG1-SD 4.34Å; V370-M401 HydrophobicContact CG2-CG 3.9Å; V370-M401 HydrophobicContact CG2-SD 3.61Å
371I90.8Very high80.7Confident59 Ų5989.8 Ų89.830%0.30347%0.466SS..G310 helixtrans-108.18.3177.463169.1000113.6V367 P368 L369 M401 T403V367-I371 HydrophobicContact CG1-CD1 3.9Å; V367-I371 HydrophobicContact CG1-CG1 3.63Å; P368-I371 HydrophobicContact CB-CG1 4.29Å; P368-I371 WeakPolarHBondContact O-CG1 3.35Å; P368-I371 PolarHBondContact O-N 3.02Å; P368-I371 VanDerWaalsContact O-N 3.14Å; L369-I371 PolarHBondContact O-N 3.01Å; I371-M401 HydrophobicContact CG2-CE 3.76Å; I371-M401 HydrophobicContact CG2-SD 4.11Å; I371-T403 WeakPolarHBondContact CD1-O 3.49Å; I371-T403 HydrophobicContact CG2-CG2 3.9Å
372R86.5Confident80.3Confident62 Ų6288 Ų8823%0.23446%0.46CS..SBendtrans-73.8145.3174.4-67.6-171.6-168.9169.91.9110.6V367 P368 L369 Y384V367-R372 HydrophobicContact CB-CG 4.3Å; V367-R372 HydrophobicContact CG1-CG 4.02Å; V367-R372 VanDerWaalsContact O-CZ 3.24Å; V367-R372 PolarHBondContact O-NE 3.38Å; V367-R372 PolarHBondContact O-NH2 3.37Å; P368-R372 WeakPolarHBondContact O-CG 3.39Å; P368-R372 PolarHBondContact O-N 3.08Å; L369-R372 WeakPolarHBondContact O-CB 3.3Å; L369-R372 PolarHBondContact O-N 3.26Å; R372-Y384 HydrophobicContact CB-CD1 3.77Å; R372-Y384 HydrophobicContact CB-CE1 4.49Å; R372-Y384 HydrophobicContact CB-CG 4.2Å; R372-Y384 HydrophobicContact CG-CD1 4.33Å; R372-Y384 VanDerWaalsContact NH1-CZ 3.34Å; R372-Y384 PolarHBondContact NH1-OH 3.3Å; R372-Y384 VanDerWaalsContact NH1-OH 3.16Å
373N84.7Confident80.5Confident129 Ų12990.2 Ų90.269%0.6947%0.467SS*.  trans-71.7135.1170.2-168.511.8000110.3P375N373-P375 WeakPolarHBondContact O-CD 3.47Å; N373-P375 WeakPolarHBondContact OD1-CD 3.42Å
374A80.6Confident80.7Confident19 Ų1986.7 Ų86.716%0.15745%0.446CS..  trans-125.961.7-179.300000113T376 M379 K380 Y384A374-T376 VanDerWaalsContact C-N 3.33Å; A374-T376 PolarHBondContact O-N 2.64Å; A374-M379 HydrophobicContact CB-CB 4.09Å; A374-K380 HydrophobicContact CB-CG 4.03Å; A374-K380 VanDerWaalsContact O-CE 3.23Å; A374-K380 WeakPolarHBondContact O-CE 3.49Å; A374-Y384 WeakPolarHBondContact CB-O 3.23Å
375P77.4Confident80.8Confident90 Ų9079.9 Ų79.958%0.58442%0.415SS*.  trans-71.3-24.4-176.128.2-36.2000113.7N373 M379N373-P375 WeakPolarHBondContact O-CD 3.47Å; N373-P375 WeakPolarHBondContact OD1-CD 3.42Å; P375-M379 VanDerWaalsContact CD-SD 3.52Å; P375-M379 HydrophobicContact CG-SD 3.89Å
376T67.1Low81Confident65 Ų6581.9 Ų81.940%0.39943%0.425SS..SBendtrans-100.9157-176.870.40000112A374 L378 M379 K380A374-T376 VanDerWaalsContact C-N 3.33Å; A374-T376 PolarHBondContact O-N 2.64Å; T376-L378 VanDerWaalsContact C-N 3.33Å; T376-L378 PolarHBondContact O-N 3.38Å; T376-M379 HydrophobicContact CG2-SD 4.09Å; T376-M379 PolarHBondContact O-N 3.44Å; T376-M379 WeakPolarHBondContact OG1-CB 3.36Å; T376-M379 WeakPolarHBondContact OG1-CG 3.15Å; T376-M379 PolarHBondContact OG1-N 2.79Å; T376-M379 PolarHBondContact OG1-SD 3.1Å; T376-K380 PolarHBondContact O-N 3.08Å
377K74.9Confident81.4Confident172 Ų17284.5 Ų84.575%0.74843%0.434SS*.Hα-helixtrans-58.6-44.9174-72.5-173.1177.6-176.40111.9M379 K380 E381K377-M379 VanDerWaalsContact C-N 3.3Å; K377-M379 PolarHBondContact O-N 3.18Å; K377-K380 WeakPolarHBondContact O-CB 3.44Å; K377-K380 PolarHBondContact O-N 3.21Å; K377-K380 VanDerWaalsContact O-N 3.1Å; K377-E381 WeakPolarHBondContact O-CG 3.49Å; K377-E381 PolarHBondContact O-N 3.49Å
378L71.8Confident81.6Confident106 Ų10686.7 Ų86.756%0.55543%0.434SS*.Hα-helixtrans-57.1-42.6177.8-179.663.2000112.1T376 K380 E381 L382T376-L378 VanDerWaalsContact C-N 3.33Å; T376-L378 PolarHBondContact O-N 3.38Å; L378-K380 VanDerWaalsContact C-N 3.32Å; L378-K380 PolarHBondContact O-N 3.26Å; L378-E381 WeakPolarHBondContact O-CB 3.34Å; L378-E381 PolarHBondContact O-N 3.42Å; L378-L382 HydrophobicContact CD1-CD1 4.35Å; L378-L382 HydrophobicContact CD1-CG 4.4Å; L378-L382 HydrophobicContact CG-CD1 4.14Å; L378-L382 WeakPolarHBondContact O-CB 3.11Å; L378-L382 VanDerWaalsContact O-CG 3.3Å; L378-L382 WeakPolarHBondContact O-CG 3.35Å; L378-L382 PolarHBondContact O-N 2.96Å
379M72.6Confident81.7Confident63 Ų6389.5 Ų89.531%0.3145%0.445SS..Hα-helixtrans-64.6-37.6178.3-73.5162.3169.800112.3A374 P375 T376 K377 L382 H383 Y384A374-M379 HydrophobicContact CB-CB 4.09Å; P375-M379 VanDerWaalsContact CD-SD 3.52Å; P375-M379 HydrophobicContact CG-SD 3.89Å; T376-M379 HydrophobicContact CG2-SD 4.09Å; T376-M379 PolarHBondContact O-N 3.44Å; T376-M379 WeakPolarHBondContact OG1-CB 3.36Å; T376-M379 WeakPolarHBondContact OG1-CG 3.15Å; T376-M379 PolarHBondContact OG1-N 2.79Å; T376-M379 PolarHBondContact OG1-SD 3.1Å; K377-M379 VanDerWaalsContact C-N 3.3Å; K377-M379 PolarHBondContact O-N 3.18Å; M379-L382 CarbonylContact O-C 3.45Å; M379-L382 PolarHBondContact O-N 3.05Å; M379-H383 PolarHBondContact O-N 3.47Å; M379-Y384 HydrophobicContact CB-CD1 4.38Å; M379-Y384 HydrophobicContact CB-CG 4.28Å; M379-Y384 HydrophobicContact CG-CD1 4.29Å; M379-Y384 VanDerWaalsContact O-CB 3.31Å; M379-Y384 WeakPolarHBondContact O-CB 3.4Å; M379-Y384 PolarHBondContact O-N 2.91Å
380K76Confident82.1Confident139 Ų13991.7 Ų91.760%0.60445%0.449SS*.Hα-helixtrans-67.3-39.9174-64.3179.2-178.6-174.50111.7A374 T376 K377 L378 L382 H383A374-K380 HydrophobicContact CB-CG 4.03Å; A374-K380 VanDerWaalsContact O-CE 3.23Å; A374-K380 WeakPolarHBondContact O-CE 3.49Å; T376-K380 PolarHBondContact O-N 3.08Å; K377-K380 WeakPolarHBondContact O-CB 3.44Å; K377-K380 PolarHBondContact O-N 3.21Å; K377-K380 VanDerWaalsContact O-N 3.1Å; L378-K380 VanDerWaalsContact C-N 3.32Å; L378-K380 PolarHBondContact O-N 3.26Å; K380-L382 PolarHBondContact O-N 2.99Å; K380-H383 PolarHBondContact O-N 2.91Å
381E80.8Confident82.3Confident131 Ų13191.5 Ų91.561%0.61245%0.45SS*.Hα-helixtrans-64-28.1173-70.6167.6-165.900112.3K377 L378 H383K377-E381 WeakPolarHBondContact O-CG 3.49Å; K377-E381 PolarHBondContact O-N 3.49Å; L378-E381 WeakPolarHBondContact O-CB 3.34Å; L378-E381 PolarHBondContact O-N 3.42Å; E381-H383 VanDerWaalsContact C-N 3.27Å
382L77.4Confident82.4Confident93 Ų9394.6 Ų94.649%0.48746%0.464SS..THydrogen-bonded Turntrans-87.913.6173-66.3174.9000113.4L378 M379 K380 Y384L378-L382 HydrophobicContact CD1-CD1 4.35Å; L378-L382 HydrophobicContact CD1-CG 4.4Å; L378-L382 HydrophobicContact CG-CD1 4.14Å; L378-L382 WeakPolarHBondContact O-CB 3.11Å; L378-L382 VanDerWaalsContact O-CG 3.3Å; L378-L382 WeakPolarHBondContact O-CG 3.35Å; L378-L382 PolarHBondContact O-N 2.96Å; M379-L382 CarbonylContact O-C 3.45Å; M379-L382 PolarHBondContact O-N 3.05Å; K380-L382 PolarHBondContact O-N 2.99Å; L382-Y384 VanDerWaalsContact C-N 3.27Å; L382-Y384 HydrophobicContact CB-CD2 3.87Å; L382-Y384 HydrophobicContact CB-CE2 3.9Å; L382-Y384 WeakPolarHBondContact O-CD2 3.36Å; L382-Y384 PolarHBondContact O-N 3.2Å
383H83.5Confident82.8Confident100 Ų10096.4 Ų96.446%0.46349%0.486SS..THydrogen-bonded Turntrans64.825.2174.7-53.4-74.7000114.5M379 K380 E381 G385 E386M379-H383 PolarHBondContact O-N 3.47Å; K380-H383 PolarHBondContact O-N 2.91Å; E381-H383 VanDerWaalsContact C-N 3.27Å; H383-G385 PolarHBondContact O-N 3.42Å; H383-E386 HydrophobicContact CB-CB 4.18Å; H383-E386 WeakPolarHBondContact CB-OE2 3.19Å; H383-E386 IonicContact CE1-OE1 3.38Å; H383-E386 IonicContact CE1-OE2 2.66Å; H383-E386 IonicContact CG-OE2 3.15Å; H383-E386 IonicContact ND1-OE1 2.79Å; H383-E386 PolarHBondContact ND1-OE1 3.15Å; H383-E386 IonicContact ND1-OE2 3.14Å; H383-E386 PolarHBondContact ND1-OE2 3.41Å; H383-E386 WeakPolarHBondContact O-CB 3.34Å; H383-E386 PolarHBondContact O-N 2.91Å
384Y81.7Confident83.2Confident70 Ų7092.3 Ų92.328%0.27547%0.466SS..THydrogen-bonded Turntrans-73.3130.8175.1-76.2-142.7000109.2L369 R372 A374 M379 L382 E386L369-Y384 HydrophobicContact CD2-CD2 3.6Å; L369-Y384 HydrophobicContact CD2-CE2 3.66Å; L369-Y384 HydrophobicContact CD2-CG 4.29Å; R372-Y384 HydrophobicContact CB-CD1 3.77Å; R372-Y384 HydrophobicContact CB-CE1 4.49Å; R372-Y384 HydrophobicContact CB-CG 4.2Å; R372-Y384 HydrophobicContact CG-CD1 4.33Å; R372-Y384 VanDerWaalsContact NH1-CZ 3.34Å; R372-Y384 PolarHBondContact NH1-OH 3.3Å; R372-Y384 VanDerWaalsContact NH1-OH 3.16Å; A374-Y384 WeakPolarHBondContact CB-O 3.23Å; M379-Y384 HydrophobicContact CB-CD1 4.38Å; M379-Y384 HydrophobicContact CB-CG 4.28Å; M379-Y384 HydrophobicContact CG-CD1 4.29Å; M379-Y384 VanDerWaalsContact O-CB 3.31Å; M379-Y384 WeakPolarHBondContact O-CB 3.4Å; M379-Y384 PolarHBondContact O-N 2.91Å; L382-Y384 VanDerWaalsContact C-N 3.27Å; L382-Y384 HydrophobicContact CB-CD2 3.87Å; L382-Y384 HydrophobicContact CB-CE2 3.9Å; L382-Y384 WeakPolarHBondContact O-CD2 3.36Å; L382-Y384 PolarHBondContact O-N 3.2Å; Y384-E386 PolarHBondContact O-N 3.1Å; Y384-E386 VanDerWaalsContact O-N 3.16Å
385G82.4Confident83.7Confident23 Ų23100.7 Ų100.724%0.23750%0.501CS..THydrogen-bonded Turntrans64.710.9-176.800000113.7L369 H383 Y388L369-G385 PolarHBondContact O-N 3.02Å; H383-G385 PolarHBondContact O-N 3.42Å; G385-Y388 VanDerWaalsContact O-CB 3.31Å; G385-Y388 WeakPolarHBondContact O-CB 3.33Å; G385-Y388 PolarHBondContact O-N 3.05Å
386E83.8Confident84.4Confident98 Ų9898.4 Ų98.446%0.45849%0.49SS..THydrogen-bonded Turntrans-62.3140.2170.5-164.8172.3-13400108.7V370 H383 Y384 Y388V370-E386 WeakPolarHBondContact CG2-O 3.48Å; H383-E386 HydrophobicContact CB-CB 4.18Å; H383-E386 WeakPolarHBondContact CB-OE2 3.19Å; H383-E386 IonicContact CE1-OE1 3.38Å; H383-E386 IonicContact CE1-OE2 2.66Å; H383-E386 IonicContact CG-OE2 3.15Å; H383-E386 IonicContact ND1-OE1 2.79Å; H383-E386 PolarHBondContact ND1-OE1 3.15Å; H383-E386 IonicContact ND1-OE2 3.14Å; H383-E386 PolarHBondContact ND1-OE2 3.41Å; H383-E386 WeakPolarHBondContact O-CB 3.34Å; H383-E386 PolarHBondContact O-N 2.91Å; Y384-E386 PolarHBondContact O-N 3.1Å; Y384-E386 VanDerWaalsContact O-N 3.16Å; E386-Y388 PolarHBondContact O-N 3.46Å
387D88Confident85.7Confident134 Ų134100.7 Ų100.772%0.71749%0.494SS*.THydrogen-bonded Turntrans61.315.5-173.4-54-37.5000116.4V370 Q389V370-D387 HydrophobicContact CG2-CB 4.49Å; D387-Q389 WeakPolarHBondContact O-CG 3.4Å; D387-Q389 PolarHBondContact O-N 3.31Å
388Y91.4Very high86.6Confident126 Ų12693.8 Ų93.849%0.49447%0.465SS..  trans-57.8116.8174.1178.9-103.1000111.4V370 G385 E386 Y390 M401V370-Y388 WeakPolarHBondContact O-CB 3.46Å; V370-Y388 WeakPolarHBondContact O-CD2 3.41Å; G385-Y388 VanDerWaalsContact O-CB 3.31Å; G385-Y388 WeakPolarHBondContact O-CB 3.33Å; G385-Y388 PolarHBondContact O-N 3.05Å; E386-Y388 PolarHBondContact O-N 3.46Å; Y388-Y390 HydrophobicContact CE1-CD2 4.09Å; Y388-Y390 PolarHBondContact O-N 3.02Å; Y388-M401 HydrophobicContact CD2-CE 3.86Å; Y388-M401 HydrophobicContact CD2-SD 3.73Å; Y388-M401 HydrophobicContact CE2-CE 3.67Å; Y388-M401 HydrophobicContact CE2-SD 4.19Å
389Q90.9Very high87.6Confident84 Ų8489.6 Ų89.639%0.39344%0.444SS..  trans-90.6109.3179.2-57.5-174.717.300110.3D387 A391 T399 M401D387-Q389 WeakPolarHBondContact O-CG 3.4Å; D387-Q389 PolarHBondContact O-N 3.31Å; Q389-A391 PolarHBondContact O-N 3.4Å; Q389-T399 HydrophobicContact CB-CG2 3.48Å; Q389-T399 VanDerWaalsContact CB-CG2 3.48Å; Q389-T399 VanDerWaalsContact OE1-CB 3.27Å; Q389-M401 HydrophobicContact CB-CB 4.38Å; Q389-M401 HydrophobicContact CB-SD 4.45Å; Q389-M401 HydrophobicContact CG-CB 4.42Å
390Y91.8Very high88.5Confident130 Ų13088.8 Ų88.851%0.5145%0.445SS..  trans-75.398.2178.4-172.6-127.9000111.2Y388 H392 S393Y388-Y390 HydrophobicContact CE1-CD2 4.09Å; Y388-Y390 PolarHBondContact O-N 3.02Å; Y390-H392 HydrophobicContact CD1-CB 4.17Å; Y390-H392 HydrophobicContact CE1-CB 3.64Å; Y390-H392 HydrophobicContact CE2-CB 4.32Å; Y390-H392 AromaticContact CE2-CD2 3.75Å; Y390-H392 AromaticContact CZ-CD2 3.68Å; Y390-H392 PolarHBondContact O-N 2.98Å; Y390-H392 VanDerWaalsContact O-N 3.09Å; Y390-H392 PolarHBondContact OH-CD2 3.17Å; Y390-S393 WeakPolarHBondContact CD1-OG 3.45Å; Y390-S393 WeakPolarHBondContact O-CB 3.44Å; Y390-S393 PolarHBondContact O-N 3.18Å
391A93.8Very high89.2Confident28 Ų2883.6 Ų83.623%0.23142%0.423CS..G310 helixtrans-53.1-35.6-17300000114.3Q389 S393 T394 K397 T399Q389-A391 PolarHBondContact O-N 3.4Å; A391-S393 PolarHBondContact O-N 3.02Å; A391-S393 VanDerWaalsContact O-N 3.14Å; A391-T394 PolarHBondContact O-N 3.45Å; A391-T394 PolarHBondContact O-OG1 3.12Å; A391-K397 WeakPolarHBondContact O-CA 3.42Å; A391-T399 HydrophobicContact CB-CG2 4.04Å
392H94.1Very high89.6Confident125 Ų12582.1 Ų82.158%0.57942%0.415SS*.G310 helixtrans-61.6-21.6177.8-72.5-73.3000114.3Y390 K397Y390-H392 HydrophobicContact CD1-CB 4.17Å; Y390-H392 HydrophobicContact CE1-CB 3.64Å; Y390-H392 HydrophobicContact CE2-CB 4.32Å; Y390-H392 AromaticContact CE2-CD2 3.75Å; Y390-H392 AromaticContact CZ-CD2 3.68Å; Y390-H392 PolarHBondContact O-N 2.98Å; Y390-H392 VanDerWaalsContact O-N 3.09Å; Y390-H392 PolarHBondContact OH-CD2 3.17Å; H392-K397 PolarHBondContact O-NZ 2.94Å
393S94.4Very high90.3Very high100 Ų10081.3 Ų81.370%0.69941%0.413SS*.G310 helixtrans-81-17.1175.5-65.20000113.6Y390 A391Y390-S393 WeakPolarHBondContact CD1-OG 3.45Å; Y390-S393 WeakPolarHBondContact O-CB 3.44Å; Y390-S393 PolarHBondContact O-N 3.18Å; A391-S393 PolarHBondContact O-N 3.02Å; A391-S393 VanDerWaalsContact O-N 3.14Å
394T92.2Very high90.6Very high43 Ų4379.7 Ų79.726%0.26441%0.407SS..SBendtrans-78.8158.2176.770.20000111A391 K397 L398 T399A391-T394 PolarHBondContact O-N 3.45Å; A391-T394 PolarHBondContact O-OG1 3.12Å; T394-K397 WeakPolarHBondContact O-CD 3.47Å; T394-K397 WeakPolarHBondContact O-CE 3.48Å; T394-K397 PolarHBondContact O-NZ 2.98Å; T394-K397 VanDerWaalsContact OG1-CA 3.28Å; T394-K397 WeakPolarHBondContact OG1-CA 3.38Å; T394-K397 PolarHBondContact OG1-N 2.9Å; T394-L398 WeakPolarHBondContact CG2-O 2.83Å; T394-L398 PolarHBondContact OG1-N 3.45Å; T394-L398 VanDerWaalsContact OG1-N 3.09Å; T394-L398 PolarHBondContact OG1-O 3.25Å; T394-T399 HydrophobicContact CG2-CG2 3.75Å
395E92.2Very high90.9Very high195 Ų19577.3 Ų77.391%0.91140%0.4SS*.SBendtrans-66.5-47.7175.4-173.7174.1-175.900111.2K397E395-K397 PolarHBondContact O-N 3.21Å
396A92.6Very high91.1Very high41 Ų4181.1 Ų81.134%0.33942%0.42SS..SBendtrans-70-12.3179.800000114.2L398 W435A396-L398 HydrophobicContact CB-CB 4.29Å; A396-L398 PolarHBondContact O-N 3.49Å; A396-W435 HydrophobicContact CB-CZ2 3.95Å
397K94.3Very high91.2Very high113 Ų11379.4 Ų79.449%0.49142%0.419SS..SBendtrans58.630.7-168.7-49.8-61.1170.4-151.70112.8A391 H392 T394 E395A391-K397 WeakPolarHBondContact O-CA 3.42Å; H392-K397 PolarHBondContact O-NZ 2.94Å; T394-K397 WeakPolarHBondContact O-CD 3.47Å; T394-K397 WeakPolarHBondContact O-CE 3.48Å; T394-K397 PolarHBondContact O-NZ 2.98Å; T394-K397 VanDerWaalsContact OG1-CA 3.28Å; T394-K397 WeakPolarHBondContact OG1-CA 3.38Å; T394-K397 PolarHBondContact OG1-N 2.9Å; E395-K397 PolarHBondContact O-N 3.21Å
398L93.9Very high91.3Very high28 Ų2874 Ų7415%0.14739%0.39CS..  trans-140.5155.8-178.5-64.5173000109.4T394 A396 I432 W435T394-L398 WeakPolarHBondContact CG2-O 2.83Å; T394-L398 PolarHBondContact OG1-N 3.45Å; T394-L398 VanDerWaalsContact OG1-N 3.09Å; T394-L398 PolarHBondContact OG1-O 3.25Å; A396-L398 HydrophobicContact CB-CB 4.29Å; A396-L398 PolarHBondContact O-N 3.49Å; L398-I432 HydrophobicContact CD1-CG1 4.23Å; L398-I432 HydrophobicContact CD1-CG2 4.47Å; L398-I432 HydrophobicContact CD2-CG1 4.36Å; L398-I432 HydrophobicContact CD2-CG2 4.27Å; L398-W435 HydrophobicContact CB-CD2 4.03Å; L398-W435 HydrophobicContact CB-CE3 3.58Å; L398-W435 HydrophobicContact CB-CH2 3.72Å; L398-W435 HydrophobicContact CB-CZ2 4.13Å; L398-W435 HydrophobicContact CB-CZ3 3.41Å; L398-W435 VanDerWaalsContact CB-CZ3 3.41Å; L398-W435 HydrophobicContact CD1-CB 4.23Å; L398-W435 HydrophobicContact CD1-CD2 3.77Å; L398-W435 HydrophobicContact CD1-CE3 3.76Å; L398-W435 HydrophobicContact CD1-CG 3.96Å; L398-W435 HydrophobicContact CD1-CZ3 4.48Å; L398-W435 HydrophobicContact CG-CE3 4.3Å; L398-W435 WeakPolarHBondContact O-CH2 3.4Å
399T92.9Very high91.2Very high18 Ų1872.8 Ų72.811%0.1139%0.389CS..  trans-138.1154.5178.654.50000109.5Q389 A391 T394 M401 H436Q389-T399 HydrophobicContact CB-CG2 3.48Å; Q389-T399 VanDerWaalsContact CB-CG2 3.48Å; Q389-T399 VanDerWaalsContact OE1-CB 3.27Å; A391-T399 HydrophobicContact CB-CG2 4.04Å; T394-T399 HydrophobicContact CG2-CG2 3.75Å; T399-M401 PolarHBondContact O-N 2.94Å; T399-H436 PolarHBondContact O-NE2 3.49Å
400S90.7Very high91.1Very high45 Ų4571.8 Ų71.832%0.31540%0.401SS..  trans-81.76.1175.252.70000113.3K402S400-K402 PolarHBondContact O-N 3.45Å
401M90.4Very high91.1Very high30 Ų3069.4 Ų69.415%0.14840%0.395CS..  trans-62.2120.3-179.9178.9-178.572.500111.5V370 I371 Y388 Q389 T399 T403V370-M401 HydrophobicContact CG1-CG 4.1Å; V370-M401 HydrophobicContact CG1-SD 4.34Å; V370-M401 HydrophobicContact CG2-CG 3.9Å; V370-M401 HydrophobicContact CG2-SD 3.61Å; I371-M401 HydrophobicContact CG2-CE 3.76Å; I371-M401 HydrophobicContact CG2-SD 4.11Å; Y388-M401 HydrophobicContact CD2-CE 3.86Å; Y388-M401 HydrophobicContact CD2-SD 3.73Å; Y388-M401 HydrophobicContact CE2-CE 3.67Å; Y388-M401 HydrophobicContact CE2-SD 4.19Å; Q389-M401 HydrophobicContact CB-CB 4.38Å; Q389-M401 HydrophobicContact CB-SD 4.45Å; Q389-M401 HydrophobicContact CG-CB 4.42Å; T399-M401 PolarHBondContact O-N 2.94Å; M401-T403 HydrophobicContact CE-CG2 3.84Å; M401-T403 PolarHBondContact O-N 3.33Å
402K89.2Confident91.1Very high101 Ų10173.3 Ų73.344%0.43941%0.408SS..  trans-72.9122.9174.5-57.2-60.8-178.8-168.80110.6S400 D440S400-K402 PolarHBondContact O-N 3.45Å; K402-D440 IonicContact NZ-OD1 3.38Å; K402-D440 PolarHBondContact NZ-OD1 3.15Å; K402-D440 IonicContact NZ-OD2 3.19Å; K402-D440 PolarHBondContact NZ-OD2 2.86Å
403T91.3Very high91.3Very high75 Ų7569.8 Ų69.846%0.4639%0.39SS..  trans-108.9-16.7-177.457.70000113.6I371 M401I371-T403 WeakPolarHBondContact CD1-O 3.49Å; I371-T403 HydrophobicContact CG2-CG2 3.9Å; M401-T403 HydrophobicContact CE-CG2 3.84Å; M401-T403 PolarHBondContact O-N 3.33Å
404M90.6Very high91.4Very high67 Ų6767.7 Ų67.733%0.3337%0.367SS..SBendtrans-80.8150171.4-73.7-64.1-7000110.4L408 Y413M404-L408 HydrophobicContact CE-CB 3.53Å; M404-L408 HydrophobicContact CE-CD1 3.92Å; M404-L408 HydrophobicContact CE-CG 4.39Å; M404-Y413 HydrophobicContact CE-CE2 4.05Å
405P87.3Confident91.6Very high19 Ų1969.7 Ų69.712%0.12338%0.376CS..  trans-56.7143.6165.2-22.933.9000111.1E365 S407 L408 E409E365-P405 HydrophobicContact CB-CB 3.7Å; E365-P405 HydrophobicContact CB-CG 3.81Å; E365-P405 HydrophobicContact CG-CB 3.98Å; E365-P405 HydrophobicContact CG-CG 4.48Å; P405-S407 PolarHBondContact O-N 3.3Å; P405-S407 VanDerWaalsContact O-N 3.12Å; P405-L408 HydrophobicContact CG-CD1 4.24Å; P405-L408 PolarHBondContact O-N 3.37Å; P405-E409 PolarHBondContact O-N 3.04Å
406P86.9Confident91.9Very high103 Ų10361.3 Ų61.367%0.66934%0.338SS*.G310 helixtrans-54-34.7-178.6-29.335.6000114.3L408 E409P406-L408 PolarHBondContact O-N 2.89Å; P406-E409 PolarHBondContact O-N 2.92Å
407S87Confident92Very high62 Ų6261.3 Ų61.343%0.43433%0.334SS..G310 helixtrans-71.8-13.9179.4570000114.6E365 P405E365-S407 WeakPolarHBondContact CG-OG 3.22Å; E365-S407 VanDerWaalsContact OE1-CB 3.28Å; E365-S407 WeakPolarHBondContact OE1-CB 3.3Å; E365-S407 PolarHBondContact OE1-OG 2.94Å; P405-S407 PolarHBondContact O-N 3.3Å; P405-S407 VanDerWaalsContact O-N 3.12Å
408L90.4Very high92.2Very high21 Ų2160.5 Ų60.511%0.1134%0.339CS..G310 helixtrans-111.77.5178.4-59.4-179.4000112.2T362 M404 P405 P406 G410 H411T362-L408 HydrophobicContact CG2-CD2 3.83Å; M404-L408 HydrophobicContact CE-CB 3.53Å; M404-L408 HydrophobicContact CE-CD1 3.92Å; M404-L408 HydrophobicContact CE-CG 4.39Å; P405-L408 HydrophobicContact CG-CD1 4.24Å; P405-L408 PolarHBondContact O-N 3.37Å; P406-L408 PolarHBondContact O-N 2.89Å; L408-G410 PolarHBondContact O-N 3.37Å; L408-H411 WeakPolarHBondContact O-CB 3.37Å; L408-H411 PolarHBondContact O-CD2 2.76Å; L408-H411 PolarHBondContact O-N 3.16Å
409E88.3Confident92.3Very high101 Ų10163.8 Ų63.847%0.47235%0.353SS..THydrogen-bonded Turntrans-60.1138.2174.1-76.4-173.5175.500110.8P405 P406 H411P405-E409 PolarHBondContact O-N 3.04Å; P406-E409 PolarHBondContact O-N 2.92Å; E409-H411 VanDerWaalsContact C-N 3.32Å
410G88.9Confident92.5Very high63 Ų6365 Ų6565%0.64937%0.37SS*.THydrogen-bonded Turntrans84.8-5-175.500000115.2L408 H412L408-G410 PolarHBondContact O-N 3.37Å; G410-H412 PolarHBondContact O-CD2 2.85Å
411H92.1Very high92.8Very high79 Ų7966.1 Ų66.137%0.36637%0.372SS..  trans-72.5133.8173.4-75.6-130000111.3D358 L408 E409 Y413D358-H411 IonicContact OD2-CE1 3.8Å; D358-H411 PolarHBondContact OD2-CE1 3.49Å; D358-H411 IonicContact OD2-CG 2.64Å; D358-H411 IonicContact OD2-ND1 2.61Å; D358-H411 PolarHBondContact OD2-ND1 3.43Å; L408-H411 WeakPolarHBondContact O-CB 3.37Å; L408-H411 PolarHBondContact O-CD2 2.76Å; L408-H411 PolarHBondContact O-N 3.16Å; E409-H411 VanDerWaalsContact C-N 3.32Å; H411-Y413 HydrophobicContact CB-CE1 4.36Å; H411-Y413 HydrophobicContact CB-CE2 4.45Å
412H94.1Very high93.2Very high111 Ų11164.7 Ų64.751%0.51437%0.365SS..  trans-121112.8178.6-62.3-76.8000111.1G410 L415 E433G410-H412 PolarHBondContact O-CD2 2.85Å; H412-L415 HydrophobicContact CB-CD2 4.23Å; H412-E433 IonicContact CE1-OE1 3.96Å; H412-E433 IonicContact ND1-OE1 3.85Å
413Y96.6Very high93.5Very high51 Ų5165.7 Ų65.720%0.237%0.369CS..  trans-93.9-53.6-177.6-58.6-54.9000113.2A351 R354 A355 D358 M404 H411 L415A351-Y413 VanDerWaalsContact CA-O 3.32Å; A351-Y413 WeakPolarHBondContact CA-O 3.28Å; A351-Y413 WeakPolarHBondContact CB-O 3.42Å; R354-Y413 HydrophobicContact CB-CD1 3.78Å; R354-Y413 HydrophobicContact CB-CE1 4.46Å; R354-Y413 PolarHBondContact NH1-O 3.08Å; A355-Y413 VanDerWaalsContact CA-CE1 3.43Å; A355-Y413 HydrophobicContact CB-CD1 3.84Å; A355-Y413 HydrophobicContact CB-CD2 4.12Å; A355-Y413 HydrophobicContact CB-CE1 3.93Å; A355-Y413 HydrophobicContact CB-CE2 4.21Å; A355-Y413 HydrophobicContact CB-CG 3.94Å; D358-Y413 WeakPolarHBondContact OD2-CE1 3.37Å; D358-Y413 PolarHBondContact OD2-OH 2.99Å; M404-Y413 HydrophobicContact CE-CE2 4.05Å; H411-Y413 HydrophobicContact CB-CE1 4.36Å; H411-Y413 HydrophobicContact CB-CE2 4.45Å; Y413-L415 PolarHBondContact O-N 3.46Å
414Y97.5Very high93.8Very high55 Ų5571.5 Ų71.522%0.21638%0.383CS..  trans-85.2111.5-178.9179.7-123000111.1L304 A347 A351 P416 E422 K429L304-Y414 HydrophobicContact CD1-CE1 4.45Å; L304-Y414 HydrophobicContact CD1-CE2 4.3Å; L304-Y414 WeakPolarHBondContact CD1-OH 3.41Å; A347-Y414 HydrophobicContact CB-CD2 4.34Å; A347-Y414 HydrophobicContact CB-CE2 3.92Å; A351-Y414 HydrophobicContact CB-CD2 4.4Å; Y414-P416 HydrophobicContact CE1-CB 3.83Å; Y414-P416 HydrophobicContact CE1-CG 4.07Å; Y414-P416 HydrophobicContact CE2-CB 4.36Å; Y414-P416 WeakPolarHBondContact O-CD 3.44Å; Y414-E422 PolarHBondContact OH-OE1 3.16Å; Y414-K429 HydrophobicContact CD1-CD 4.38Å; Y414-K429 WeakPolarHBondContact O-CE 3.48Å
415L97Very high94.1Very high85 Ų8572.1 Ų72.145%0.44538%0.384SS..  trans-113.387.9177.6-58.1-177.6000108.2A347 H412 Y413A347-L415 WeakPolarHBondContact CB-O 3.39Å; H412-L415 HydrophobicContact CB-CD2 4.23Å; Y413-L415 PolarHBondContact O-N 3.46Å
416P97Very high94.6Very high19 Ų1974.7 Ų74.712%0.12339%0.393CS..  trans-63.3143.1-175.623.9-32.6000111.6Y414 E422 K426 K429Y414-P416 HydrophobicContact CE1-CB 3.83Å; Y414-P416 HydrophobicContact CE1-CG 4.07Å; Y414-P416 HydrophobicContact CE2-CB 4.36Å; Y414-P416 WeakPolarHBondContact O-CD 3.44Å; P416-E422 HydrophobicContact CB-CB 4.47Å; P416-K426 HydrophobicContact CB-CB 3.99Å; P416-K426 HydrophobicContact CG-CB 3.69Å; P416-K426 HydrophobicContact CG-CG 4.01Å; P416-K429 HydrophobicContact CG-CD 4.27Å
417T96.3Very high95.1Very high42 Ų4274.6 Ų74.626%0.25838%0.384SS..  trans-81.6-173.7172.378.80000111A347 Q419 E422A347-T417 HydrophobicContact CB-CG2 4.39Å; T417-Q419 WeakPolarHBondContact OG1-CB 3.15Å; T417-Q419 PolarHBondContact OG1-N 3.14Å; T417-E422 WeakPolarHBondContact CA-OE2 3.46Å; T417-E422 WeakPolarHBondContact CB-OE2 3.48Å; T417-E422 VanDerWaalsContact CG2-OE2 3.31Å; T417-E422 WeakPolarHBondContact CG2-OE2 3.41Å; T417-E422 PolarHBondContact N-OE2 3.2Å; T417-E422 CarbonylContact O-C 3.58Å; T417-E422 WeakPolarHBondContact O-CB 3.45Å; T417-E422 PolarHBondContact OG1-OE2 3.29Å
418T97.1Very high95.6Very high95 Ų9577.8 Ų77.858%0.58339%0.386SS*.SBendtrans-101.19.517057.90000112.5K426T418-K426 HydrophobicContact CG2-CD 4.5Å
419Q97Very high95.9Very high97 Ų9779.2 Ų79.245%0.45339%0.392SS..SBendtrans-82.1135.3-176.6-66.2-67.1-2400111.3A305 P343 K344 T417 N421 E422A305-Q419 HydrophobicContact CB-CB 4.14Å; P343-Q419 HydrophobicContact CB-CB 4.17Å; K344-Q419 WeakPolarHBondContact O-CG 3.43Å; T417-Q419 WeakPolarHBondContact OG1-CB 3.15Å; T417-Q419 PolarHBondContact OG1-N 3.14Å; Q419-N421 PolarHBondContact O-N 3.26Å; Q419-E422 WeakPolarHBondContact O-CB 3.45Å; Q419-E422 PolarHBondContact O-N 3.38Å
420G97Very high96.3Very high44 Ų4479.1 Ų79.145%0.45439%0.391SS..THydrogen-bonded Turntrans49.3-128.6176.200000113.7A305 E422A305-G420 CarbonylContact O-C 3.57Å; A305-G420 WeakPolarHBondContact O-CA 3.37Å; G420-E422 VanDerWaalsContact C-N 3.28Å; G420-E422 PolarHBondContact O-N 3.15Å
421N97.7Very high96.7Very high68 Ų6878.5 Ų78.536%0.36438%0.38SS..THydrogen-bonded Turntrans-70.4-18.4-179.9-63.2-72.3000113.5L304 A305 I307 Q419 K423 R424 F425L304-N421 WeakPolarHBondContact O-CB 3.19Å; A305-N421 PolarHBondContact O-N 3.12Å; A305-N421 PolarHBondContact O-ND2 3.47Å; A305-N421 VanDerWaalsContact O-ND2 3.13Å; I307-N421 HydrophobicContact CG2-CB 4.46Å; Q419-N421 PolarHBondContact O-N 3.26Å; N421-K423 PolarHBondContact O-N 3.4Å; N421-K423 VanDerWaalsContact O-N 3.14Å; N421-R424 WeakPolarHBondContact O-CB 3.44Å; N421-R424 PolarHBondContact O-N 3.49Å; N421-F425 HydrophobicContact CB-CE2 4.2Å; N421-F425 VanDerWaalsContact O-CD2 3.3Å; N421-F425 WeakPolarHBondContact O-CD2 3.47Å; N421-F425 PolarHBondContact O-N 3.06Å
422E97Very high96.8Very high0 Ų076.8 Ų76.80%037%0.373CS..Hα-helixtrans-62-24.2-178.2-79.5-170.4158.700113.3L304 A305 S345 Y414 P416 T417 Q419 G420 R424 F425 K426L304-E422 VanDerWaalsContact C-CG 3.49Å; L304-E422 HydrophobicContact CB-CG 3.83Å; A305-E422 HydrophobicContact CB-CG 4.36Å; S345-E422 VanDerWaalsContact CB-OE2 3.24Å; S345-E422 WeakPolarHBondContact CB-OE2 3.48Å; S345-E422 PolarHBondContact OG-OE1 3.38Å; S345-E422 PolarHBondContact OG-OE2 2.81Å; Y414-E422 PolarHBondContact OH-OE1 3.16Å; P416-E422 HydrophobicContact CB-CB 4.47Å; T417-E422 WeakPolarHBondContact CA-OE2 3.46Å; T417-E422 WeakPolarHBondContact CB-OE2 3.48Å; T417-E422 VanDerWaalsContact CG2-OE2 3.31Å; T417-E422 WeakPolarHBondContact CG2-OE2 3.41Å; T417-E422 PolarHBondContact N-OE2 3.2Å; T417-E422 CarbonylContact O-C 3.58Å; T417-E422 WeakPolarHBondContact O-CB 3.45Å; T417-E422 PolarHBondContact OG1-OE2 3.29Å; Q419-E422 WeakPolarHBondContact O-CB 3.45Å; Q419-E422 PolarHBondContact O-N 3.38Å; G420-E422 VanDerWaalsContact C-N 3.28Å; G420-E422 PolarHBondContact O-N 3.15Å; E422-R424 VanDerWaalsContact C-N 3.27Å; E422-R424 PolarHBondContact O-N 2.84Å; E422-F425 PolarHBondContact O-N 3.2Å; E422-F425 VanDerWaalsContact O-N 3.12Å; E422-K426 WeakPolarHBondContact O-CB 3.42Å; E422-K426 PolarHBondContact O-N 3.05Å
423K97.2Very high96.8Very high122 Ų12274.8 Ų74.853%0.5336%0.364SS..Hα-helixtrans-53.4-45.8170.9-175.1-178175.5-173.60111.8N421 K426 E427N421-K423 PolarHBondContact O-N 3.4Å; N421-K423 VanDerWaalsContact O-N 3.14Å; K423-K426 WeakPolarHBondContact O-CB 3.28Å; K423-K426 PolarHBondContact O-N 3.01Å; K423-E427 WeakPolarHBondContact CE-OE1 3.3Å; K423-E427 WeakPolarHBondContact O-CG 3.37Å; K423-E427 PolarHBondContact O-N 3.04Å
424R97Very high96.7Very high198 Ų19878.6 Ų78.675%0.74738%0.382SS*.Hα-helixtrans-68.3-36.9178.5-175.3-178.4175.9-167.4-0.8111.9N421 E422 K426 R428N421-R424 WeakPolarHBondContact O-CB 3.44Å; N421-R424 PolarHBondContact O-N 3.49Å; E422-R424 VanDerWaalsContact C-N 3.27Å; E422-R424 PolarHBondContact O-N 2.84Å; R424-K426 VanDerWaalsContact C-N 3.35Å; R424-R428 WeakPolarHBondContact O-CB 3.48Å; R424-R428 PolarHBondContact O-N 3.22Å
425F97.2Very high96.6Very high80 Ų8078.3 Ų78.335%0.35138%0.38SS..Hα-helixtrans-66.6-38.7175.4-71.2-82000111.6L304 I307 N421 E422 R428 K429L304-F425 HydrophobicContact CB-CD2 4.2Å; L304-F425 HydrophobicContact CB-CE2 4.12Å; L304-F425 HydrophobicContact CD1-CD1 4.28Å; L304-F425 HydrophobicContact CD1-CE1 4.29Å; L304-F425 HydrophobicContact CD1-CG 4.48Å; L304-F425 HydrophobicContact CD1-CZ 4.49Å; L304-F425 HydrophobicContact CD2-CE1 4.49Å; L304-F425 HydrophobicContact CD2-CE2 4.37Å; L304-F425 HydrophobicContact CD2-CZ 4.05Å; I307-F425 HydrophobicContact CG2-CE2 3.92Å; I307-F425 HydrophobicContact CG2-CZ 4.04Å; N421-F425 HydrophobicContact CB-CE2 4.2Å; N421-F425 VanDerWaalsContact O-CD2 3.3Å; N421-F425 WeakPolarHBondContact O-CD2 3.47Å; N421-F425 PolarHBondContact O-N 3.06Å; E422-F425 PolarHBondContact O-N 3.2Å; E422-F425 VanDerWaalsContact O-N 3.12Å; F425-R428 PolarHBondContact O-N 3.06Å; F425-K429 WeakPolarHBondContact O-CB 3.31Å; F425-K429 PolarHBondContact O-N 3.21Å
426K97.5Very high96.5Very high73 Ų7377 Ų7732%0.31737%0.372SS..Hα-helixtrans-61.2-52.9173.6-177.3171.7175.6175.90111.2P416 T418 E422 K423 R424 R428 K429 E430P416-K426 HydrophobicContact CB-CB 3.99Å; P416-K426 HydrophobicContact CG-CB 3.69Å; P416-K426 HydrophobicContact CG-CG 4.01Å; T418-K426 HydrophobicContact CG2-CD 4.5Å; E422-K426 WeakPolarHBondContact O-CB 3.42Å; E422-K426 PolarHBondContact O-N 3.05Å; K423-K426 WeakPolarHBondContact O-CB 3.28Å; K423-K426 PolarHBondContact O-N 3.01Å; R424-K426 VanDerWaalsContact C-N 3.35Å; K426-R428 VanDerWaalsContact C-N 3.29Å; K426-R428 PolarHBondContact O-N 3.09Å; K426-K429 PolarHBondContact O-N 3.38Å; K426-K429 VanDerWaalsContact O-N 3.13Å; K426-E430 WeakPolarHBondContact CE-OE1 3.5Å; K426-E430 HydrophobicContact CG-CG 4.45Å; K426-E430 WeakPolarHBondContact CG-OE1 3.09Å; K426-E430 WeakPolarHBondContact O-CG 3.47Å; K426-E430 PolarHBondContact O-N 3.17Å
427E97.7Very high96.2Very high101 Ų10180 Ų8047%0.47240%0.398SS..Hα-helixtrans-56-42.8176.6-71.3166-17800111.8K423 A431K423-E427 WeakPolarHBondContact CE-OE1 3.3Å; K423-E427 WeakPolarHBondContact O-CG 3.37Å; K423-E427 PolarHBondContact O-N 3.04Å; E427-A431 WeakPolarHBondContact O-CB 3.23Å; E427-A431 PolarHBondContact O-N 3.06Å
428R97.2Very high96.1Very high128 Ų12884 Ų8448%0.48341%0.413SS..Hα-helixtrans-66.9-42.4177.2179.856179.4155.22112.3R424 F425 K426 A431 I432R424-R428 WeakPolarHBondContact O-CB 3.48Å; R424-R428 PolarHBondContact O-N 3.22Å; F425-R428 PolarHBondContact O-N 3.06Å; K426-R428 VanDerWaalsContact C-N 3.29Å; K426-R428 PolarHBondContact O-N 3.09Å; R428-A431 PolarHBondContact O-N 3.32Å; R428-I432 HydrophobicContact CG-CD1 4.06Å; R428-I432 WeakPolarHBondContact O-CG1 3.31Å; R428-I432 PolarHBondContact O-N 3.39Å
429K96.7Very high95.8Very high52 Ų5283.5 Ų83.523%0.22640%0.404CS..Hα-helixtrans-62.4-47.8178.1-180179.5172.1-71.90110.6Y414 P416 F425 K426 A431 I432 E433Y414-K429 HydrophobicContact CD1-CD 4.38Å; Y414-K429 WeakPolarHBondContact O-CE 3.48Å; P416-K429 HydrophobicContact CG-CD 4.27Å; F425-K429 WeakPolarHBondContact O-CB 3.31Å; F425-K429 PolarHBondContact O-N 3.21Å; K426-K429 PolarHBondContact O-N 3.38Å; K426-K429 VanDerWaalsContact O-N 3.13Å; K429-A431 VanDerWaalsContact C-N 3.32Å; K429-A431 PolarHBondContact O-N 2.71Å; K429-I432 PolarHBondContact O-N 2.66Å; K429-I432 VanDerWaalsContact O-N 3.15Å; K429-E433 WeakPolarHBondContact CE-OE1 3.42Å; K429-E433 IonicContact NZ-OE1 3.17Å; K429-E433 PolarHBondContact NZ-OE1 2.9Å; K429-E433 IonicContact NZ-OE2 2.66Å; K429-E433 PolarHBondContact NZ-OE2 3.25Å; K429-E433 WeakPolarHBondContact O-CG 3.42Å; K429-E433 PolarHBondContact O-N 2.97Å
430E96.8Very high95Very high98 Ų9881.9 Ų81.946%0.45840%0.399SS..Hα-helixtrans-60.6-40.1177.3-70.8170.717400111.7K426 E433 K434K426-E430 WeakPolarHBondContact CE-OE1 3.5Å; K426-E430 HydrophobicContact CG-CG 4.45Å; K426-E430 WeakPolarHBondContact CG-OE1 3.09Å; K426-E430 WeakPolarHBondContact O-CG 3.47Å; K426-E430 PolarHBondContact O-N 3.17Å; E430-E433 PolarHBondContact O-N 3.26Å; E430-K434 WeakPolarHBondContact O-CB 3.19Å; E430-K434 PolarHBondContact O-N 2.9Å
431A96.2Very high93.3Very high51 Ų5192.5 Ų92.542%0.42144%0.437SS..Hα-helixtrans-64.4-38.1175.100000113.1E427 R428 K429 W435E427-A431 WeakPolarHBondContact O-CB 3.23Å; E427-A431 PolarHBondContact O-N 3.06Å; R428-A431 PolarHBondContact O-N 3.32Å; K429-A431 VanDerWaalsContact C-N 3.32Å; K429-A431 PolarHBondContact O-N 2.71Å; A431-W435 WeakPolarHBondContact O-CB 3.45Å; A431-W435 PolarHBondContact O-N 3.1Å
432I95.2Very high93.1Very high43 Ų4393.7 Ų93.722%0.22144%0.44CS..Hα-helixtrans-68.5-44.7175.5-68165.2000110.4L398 R428 K429 K434 W435 H436L398-I432 HydrophobicContact CD1-CG1 4.23Å; L398-I432 HydrophobicContact CD1-CG2 4.47Å; L398-I432 HydrophobicContact CD2-CG1 4.36Å; L398-I432 HydrophobicContact CD2-CG2 4.27Å; R428-I432 HydrophobicContact CG-CD1 4.06Å; R428-I432 WeakPolarHBondContact O-CG1 3.31Å; R428-I432 PolarHBondContact O-N 3.39Å; K429-I432 PolarHBondContact O-N 2.66Å; K429-I432 VanDerWaalsContact O-N 3.15Å; I432-K434 VanDerWaalsContact C-N 3.34Å; I432-K434 PolarHBondContact O-N 3.44Å; I432-W435 PolarHBondContact O-N 3.26Å; I432-H436 VanDerWaalsContact CG2-CE1 3.48Å; I432-H436 WeakPolarHBondContact CG2-CE1 3.43Å; I432-H436 PolarHBondContact O-N 3.33Å
433E93.4Very high92.9Very high69 Ų6998.6 Ų98.632%0.32246%0.463SS..Hα-helixtrans-62.4-41.4178.5-72.9175.2146.200111.6H412 K429 E430 H436 A437H412-E433 IonicContact CE1-OE1 3.96Å; H412-E433 IonicContact ND1-OE1 3.85Å; K429-E433 WeakPolarHBondContact CE-OE1 3.42Å; K429-E433 IonicContact NZ-OE1 3.17Å; K429-E433 PolarHBondContact NZ-OE1 2.9Å; K429-E433 IonicContact NZ-OE2 2.66Å; K429-E433 PolarHBondContact NZ-OE2 3.25Å; K429-E433 WeakPolarHBondContact O-CG 3.42Å; K429-E433 PolarHBondContact O-N 2.97Å; E430-E433 PolarHBondContact O-N 3.26Å; E433-H436 PolarHBondContact O-N 3.3Å; E433-A437 PolarHBondContact O-N 2.93Å
434K95.3Very high92.7Very high131 Ų13197.3 Ų97.357%0.5746%0.46SS*.Hα-helixtrans-61.9-44.2172.7-178.3177171.8-179.90111.9E430 I432 H436 A437 E438E430-K434 WeakPolarHBondContact O-CB 3.19Å; E430-K434 PolarHBondContact O-N 2.9Å; I432-K434 VanDerWaalsContact C-N 3.34Å; I432-K434 PolarHBondContact O-N 3.44Å; K434-H436 PolarHBondContact O-N 3.2Å; K434-A437 PolarHBondContact O-N 3.14Å; K434-E438 WeakPolarHBondContact CE-OE1 3.49Å; K434-E438 IonicContact NZ-OE1 3.15Å; K434-E438 WeakPolarHBondContact O-CG 3.4Å; K434-E438 PolarHBondContact O-N 3.09Å; K434-E438 VanDerWaalsContact O-N 3.08Å
435W96.1Very high92.4Very high49 Ų4991.4 Ų91.419%0.18644%0.443CS..Hα-helixtrans-60.8-44.6177.8-175.585.7000111.6A396 L398 A431 I432 E438 H439A396-W435 HydrophobicContact CB-CZ2 3.95Å; L398-W435 HydrophobicContact CB-CD2 4.03Å; L398-W435 HydrophobicContact CB-CE3 3.58Å; L398-W435 HydrophobicContact CB-CH2 3.72Å; L398-W435 HydrophobicContact CB-CZ2 4.13Å; L398-W435 HydrophobicContact CB-CZ3 3.41Å; L398-W435 VanDerWaalsContact CB-CZ3 3.41Å; L398-W435 HydrophobicContact CD1-CB 4.23Å; L398-W435 HydrophobicContact CD1-CD2 3.77Å; L398-W435 HydrophobicContact CD1-CE3 3.76Å; L398-W435 HydrophobicContact CD1-CG 3.96Å; L398-W435 HydrophobicContact CD1-CZ3 4.48Å; L398-W435 HydrophobicContact CG-CE3 4.3Å; L398-W435 WeakPolarHBondContact O-CH2 3.4Å; A431-W435 WeakPolarHBondContact O-CB 3.45Å; A431-W435 PolarHBondContact O-N 3.1Å; I432-W435 PolarHBondContact O-N 3.26Å; W435-E438 PolarHBondContact O-N 3.49Å; W435-H439 AromaticContact CD1-CE1 3.42Å; W435-H439 VanDerWaalsContact CD1-CE1 3.42Å; W435-H439 AromaticContact CD1-ND1 3.68Å; W435-H439 AromaticContact CD2-ND1 3.91Å; W435-H439 AromaticContact CE2-CD2 3.91Å; W435-H439 AromaticContact CE2-CE1 3.76Å; W435-H439 AromaticContact CE2-CG 3.79Å; W435-H439 AromaticContact CE2-ND1 3.67Å; W435-H439 AromaticContact CE2-NE2 3.87Å; W435-H439 AromaticContact CG-ND1 3.92Å; W435-H439 HydrophobicContact CH2-CB 4.34Å; W435-H439 HydrophobicContact CZ2-CB 4.31Å; W435-H439 AromaticContact CZ2-CD2 3.81Å; W435-H439 AromaticContact CZ2-CG 3.89Å; W435-H439 AromaticContact NE1-CD2 3.91Å; W435-H439 AromaticContact NE1-CE1 3.16Å; W435-H439 PolarHBondContact NE1-CE1 2.73Å; W435-H439 AromaticContact NE1-CG 3.99Å; W435-H439 AromaticContact NE1-ND1 3.51Å; W435-H439 AromaticContact NE1-NE2 3.38Å; W435-H439 PolarHBondContact NE1-NE2 3.47Å; W435-H439 PolarHBondContact O-N 2.86Å; W435-H439 VanDerWaalsContact O-N 3.15Å; W435-H439 PolarHBondContact O-ND1 3.02Å
436H93.2Very high92.1Very high58 Ų5892.1 Ų92.127%0.26945%0.449SS..Hα-helixtrans-61-44.6174.4-66.6149.9000111.8T399 I432 E433 K434 E438 H439 D440T399-H436 PolarHBondContact O-NE2 3.49Å; I432-H436 VanDerWaalsContact CG2-CE1 3.48Å; I432-H436 WeakPolarHBondContact CG2-CE1 3.43Å; I432-H436 PolarHBondContact O-N 3.33Å; E433-H436 PolarHBondContact O-N 3.3Å; K434-H436 PolarHBondContact O-N 3.2Å; H436-E438 PolarHBondContact O-N 3.28Å; H436-H439 PolarHBondContact O-N 3.16Å; H436-H439 VanDerWaalsContact O-N 3.1Å; H436-D440 VanDerWaalsContact O-CB 3.23Å; H436-D440 WeakPolarHBondContact O-CB 3.46Å; H436-D440 PolarHBondContact O-N 3.26Å
437A91.9Very high91.7Very high81 Ų8193.4 Ų93.467%0.66946%0.457SS*.Hα-helixtrans-62-25.917800000113.8E433 K434E433-A437 PolarHBondContact O-N 2.93Å; K434-A437 PolarHBondContact O-N 3.14Å
438E93.6Very high91.3Very high125 Ų12592.9 Ų92.958%0.58446%0.456SS*.Hα-helixtrans-87.3-17.1177.3-70.7172.4174.100113.7K434 W435 H436K434-E438 WeakPolarHBondContact CE-OE1 3.49Å; K434-E438 IonicContact NZ-OE1 3.15Å; K434-E438 WeakPolarHBondContact O-CG 3.4Å; K434-E438 PolarHBondContact O-N 3.09Å; K434-E438 VanDerWaalsContact O-N 3.08Å; W435-E438 PolarHBondContact O-N 3.49Å; H436-E438 PolarHBondContact O-N 3.28Å
439H91.8Very high90.9Very high85 Ų8590.2 Ų90.239%0.39445%0.454SS..Hα-helixtrans-124.3-5.5-172.9-62.971.9000114.3W435 H436 E441W435-H439 AromaticContact CD1-CE1 3.42Å; W435-H439 VanDerWaalsContact CD1-CE1 3.42Å; W435-H439 AromaticContact CD1-ND1 3.68Å; W435-H439 AromaticContact CD2-ND1 3.91Å; W435-H439 AromaticContact CE2-CD2 3.91Å; W435-H439 AromaticContact CE2-CE1 3.76Å; W435-H439 AromaticContact CE2-CG 3.79Å; W435-H439 AromaticContact CE2-ND1 3.67Å; W435-H439 AromaticContact CE2-NE2 3.87Å; W435-H439 AromaticContact CG-ND1 3.92Å; W435-H439 HydrophobicContact CH2-CB 4.34Å; W435-H439 HydrophobicContact CZ2-CB 4.31Å; W435-H439 AromaticContact CZ2-CD2 3.81Å; W435-H439 AromaticContact CZ2-CG 3.89Å; W435-H439 AromaticContact NE1-CD2 3.91Å; W435-H439 AromaticContact NE1-CE1 3.16Å; W435-H439 PolarHBondContact NE1-CE1 2.73Å; W435-H439 AromaticContact NE1-CG 3.99Å; W435-H439 AromaticContact NE1-ND1 3.51Å; W435-H439 AromaticContact NE1-NE2 3.38Å; W435-H439 PolarHBondContact NE1-NE2 3.47Å; W435-H439 PolarHBondContact O-N 2.86Å; W435-H439 VanDerWaalsContact O-N 3.15Å; W435-H439 PolarHBondContact O-ND1 3.02Å; H436-H439 PolarHBondContact O-N 3.16Å; H436-H439 VanDerWaalsContact O-N 3.1Å; H439-E441 PolarHBondContact O-N 3.42Å; H439-E441 VanDerWaalsContact O-N 3.12Å
440D79.5Confident90.4Very high63 Ų6393.3 Ų93.334%0.33747%0.473SS..  trans-73.895.6170-76.9-15.6000108K402 H436K402-D440 IonicContact NZ-OD1 3.38Å; K402-D440 PolarHBondContact NZ-OD1 3.15Å; K402-D440 IonicContact NZ-OD2 3.19Å; K402-D440 PolarHBondContact NZ-OD2 2.86Å; H436-D440 VanDerWaalsContact O-CB 3.23Å; H436-D440 WeakPolarHBondContact O-CB 3.46Å; H436-D440 PolarHBondContact O-N 3.26Å
441E61.6Low89.8Confident267 Ų26792.9 Ų92.9100%1.24848%0.475SS*.  trans-72.70173.1-72.8-172.2165.100113.5H439H439-E441 PolarHBondContact O-N 3.42Å; H439-E441 VanDerWaalsContact O-N 3.12Å

Retrieved 441 of 441 residues in 1050 ms (Link to these results)

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