X5DNA9_HUMAN Loading...

HCG2002594, isoform CRA_d

AlphaFold DB (Q99719), UniProt , Accession X5DNA9, Species HUMAN (Homo sapiens, Human), Gene SEPT5, Length 369 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.6Very low41.1Very low250 Ų250173.5 Ų173.5100%1.23290%0.897SS**  0970-62.1-174.5-155.600107.8
2S42.2Very low41.4Very low126 Ų126164 Ų16488%0.88186%0.863SS**  trans-149.8104.1169-157.40000107.7G4S2-G4 PolarHBondContact O-N 3.05Å
3T40.1Very low41.7Very low131 Ų131158.2 Ų158.280%0.80484%0.838SS**  trans-82.3105.6-176.341.20000109.5L5T3-L5 PolarHBondContact O-N 3.31Å
4G39Very low42.7Very low79 Ų79154.4 Ų154.481%0.81483%0.828SS**  trans-72.4116.3167.500000110.5S2 R6S2-G4 PolarHBondContact O-N 3.05Å; G4-R6 PolarHBondContact O-N 3.2Å
5L42.8Very low42.9Very low164 Ų164155.9 Ų155.986%0.85983%0.828SS**  trans-71.4107.7174.4-8792.8000110.4T3 Y7T3-L5 PolarHBondContact O-N 3.31Å; L5-Y7 PolarHBondContact O-N 3.02Å
6R38.7Very low43.3Very low242 Ų242151.4 Ų151.491%0.91380%0.804SS**  trans-71.4114.6161.4-112.2177.9179.4178.6-0.4109G4 K8G4-R6 PolarHBondContact O-N 3.2Å; R6-K8 PolarHBondContact O-N 2.98Å
7Y40.3Very low43.6Very low229 Ų229150.8 Ų150.890%0.89879%0.792SS**  trans-73105.4173.8-135.3-98.3000109.5L5L5-Y7 PolarHBondContact O-N 3.02Å
8K41.7Very low43.8Very low189 Ų189151.4 Ų151.482%0.82279%0.791SS**  trans-85.3122.9166.6-85.1-173.7173-178.10108.7R6 K10R6-K8 PolarHBondContact O-N 2.98Å; K8-K10 PolarHBondContact O-N 3.34Å; K8-K10 VanDerWaalsContact O-N 3.15Å
9S42.4Very low44.2Very low119 Ų119149.2 Ų149.283%0.83278%0.779SS**  trans-62.9108.217454.30000111.1
10K43.9Very low44.7Very low199 Ų199146.7 Ų146.787%0.86577%0.766SS**PPolyproline II helixtrans-78.9139.5163-79.3-177.2174.4179.70109K8 A12K8-K10 PolarHBondContact O-N 3.34Å; K8-K10 VanDerWaalsContact O-N 3.15Å; K10-A12 PolarHBondContact O-N 3.35Å
11L41.4Very low45.3Very low180 Ų180145.6 Ų145.694%0.94276%0.761SS**PPolyproline II helixtrans-60.2120172.7-75.8112.9000109.8
12A44.3Very low46.2Very low60 Ų60141.5 Ų141.550%0.49674%0.737SS.*PPolyproline II helixtrans-82.4134.9-175.700000112.2K10 D16K10-A12 PolarHBondContact O-N 3.35Å; A12-D16 HydrophobicContact CB-CB 4.27Å
13T46.3Very low47.1Very low88 Ų88143.9 Ų143.954%0.5473%0.734SS.*PPolyproline II helixtrans-68.5157.6172.9210000112E15 D16T13-E15 PolarHBondContact O-N 2.97Å; T13-D16 PolarHBondContact O-N 3.28Å; T13-D16 VanDerWaalsContact O-N 3.15Å; T13-D16 PolarHBondContact OG1-OD2 2.94Å
14P55Low48.5Very low106 Ų106144 Ų14469%0.68872%0.72SS**THydrogen-bonded Turntrans-62.1-19.7-171.6-18.730.6000114.7
15E46Very low49.9Very low177 Ų177145.4 Ų145.483%0.82771%0.713SS**THydrogen-bonded Turntrans-84.1-22.2-178.7-62.5-175.4158.100112.9T13 K17T13-E15 PolarHBondContact O-N 2.97Å; E15-K17 PolarHBondContact O-N 2.99Å
16D48.8Very low51.3Low84 Ų84138.7 Ų138.745%0.44968%0.683SS.*THydrogen-bonded Turntrans-75.6-11.5174.8-67.5-52.7000112.8A12 T13 Q18 I20A12-D16 HydrophobicContact CB-CB 4.27Å; T13-D16 PolarHBondContact O-N 3.28Å; T13-D16 VanDerWaalsContact O-N 3.15Å; T13-D16 PolarHBondContact OG1-OD2 2.94Å; D16-Q18 VanDerWaalsContact C-N 3.28Å; D16-Q18 PolarHBondContact O-N 3Å; D16-I20 HydrophobicContact CB-CD1 4.46Å; D16-I20 VanDerWaalsContact O-CD1 3.25Å; D16-I20 WeakPolarHBondContact O-CD1 3.43Å; D16-I20 VanDerWaalsContact O-CG1 3.24Å; D16-I20 WeakPolarHBondContact O-CG1 3.45Å
17K48.8Very low53.2Low140 Ų140133.8 Ų133.861%0.60967%0.669SS**Hα-helixtrans-70.8-20.4-177.6-73.4-176.8174.9179.60113.6E15E15-K17 PolarHBondContact O-N 2.99Å
18Q47.3Very low54.9Low163 Ų163126.1 Ų126.176%0.76265%0.653SS**Hα-helixtrans-87-19.2-176-75.7-177.4-4.200114.4D16D16-Q18 VanDerWaalsContact C-N 3.28Å; D16-Q18 PolarHBondContact O-N 3Å
19D51.4Low56.8Low108 Ų108119.4 Ų119.458%0.57863%0.628SS**Hα-helixtrans-102.1-15.2176.6-86.2-32.5000114D21 K22D19-D21 PolarHBondContact O-N 3.43Å; D19-K22 PolarHBondContact O-N 3.45Å; D19-K22 IonicContact OD1-NZ 3.69Å; D19-K22 PolarHBondContact OD1-NZ 3.3Å
20I54.4Low58.6Low100 Ų100117.6 Ų117.651%0.51361%0.609SS.*Hα-helixtrans-67-27.5171.9-64.8165.9000111.2D16 K22 Y24D16-I20 HydrophobicContact CB-CD1 4.46Å; D16-I20 VanDerWaalsContact O-CD1 3.25Å; D16-I20 WeakPolarHBondContact O-CD1 3.43Å; D16-I20 VanDerWaalsContact O-CG1 3.24Å; D16-I20 WeakPolarHBondContact O-CG1 3.45Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.08Å; I20-Y24 PolarHBondContact O-N 2.99Å
21D57.4Low60.6Low124 Ų124112.2 Ų112.266%0.66359%0.594SS**THydrogen-bonded Turntrans-71.7-20.7179-80.7-14.1000113.8D19D19-D21 PolarHBondContact O-N 3.43Å
22K58.4Low62.5Low164 Ų164109.1 Ų109.171%0.71358%0.578SS**THydrogen-bonded Turntrans-80.5-16.6179.8-71.6177.5-167.8145.40114.2D19 I20D19-K22 PolarHBondContact O-N 3.45Å; D19-K22 IonicContact OD1-NZ 3.69Å; D19-K22 PolarHBondContact OD1-NZ 3.3Å; I20-K22 VanDerWaalsContact C-N 3.32Å; I20-K22 PolarHBondContact O-N 3.08Å
23Q61.6Low64.2Low175 Ų175111.5 Ų111.582%0.81858%0.579SS**THydrogen-bonded Turntrans-110-0.6175.6-79.2179.3-3.300113.4V25Q23-V25 PolarHBondContact O-N 3.13Å; Q23-V25 VanDerWaalsContact O-N 3.09Å
24Y67.6Low65.9Low133 Ų133111.7 Ų111.752%0.52258%0.58SS.*  trans-81.289.5176.4-170-104.2000111I20 G26 A28I20-Y24 PolarHBondContact O-N 2.99Å; Y24-G26 PolarHBondContact O-N 3.42Å; Y24-G26 VanDerWaalsContact O-N 3.17Å; Y24-A28 HydrophobicContact CE2-CB 4.09Å
25V68.4Low67.1Low109 Ų109112.5 Ų112.566%0.66157%0.574SS**  trans-71.7-4.8179.7-158.40000112.7Q23 F27Q23-V25 PolarHBondContact O-N 3.13Å; Q23-V25 VanDerWaalsContact O-N 3.09Å; V25-F27 HydrophobicContact CB-CD2 3.69Å; V25-F27 HydrophobicContact CB-CE2 3.95Å; V25-F27 HydrophobicContact CG1-CD2 3.53Å; V25-F27 HydrophobicContact CG1-CE2 3.24Å; V25-F27 HydrophobicContact CG1-CZ 4.07Å; V25-F27 PolarHBondContact O-N 2.75Å; V25-F27 VanDerWaalsContact O-N 3.17Å
26G73.5Confident68.6Low23 Ų23112.1 Ų112.124%0.23757%0.565CS.*SBendtrans76.6-6.3176.900000115.7Y24 A28 T29Y24-G26 PolarHBondContact O-N 3.42Å; Y24-G26 VanDerWaalsContact O-N 3.17Å; G26-A28 PolarHBondContact O-N 2.8Å; G26-A28 VanDerWaalsContact O-N 3.14Å; G26-T29 PolarHBondContact O-N 3.27Å; G26-T29 PolarHBondContact O-OG1 3.34Å
27F77.4Confident70.2Confident139 Ų139115.9 Ų115.961%0.6158%0.577SS**G310 helixtrans-59.2-23.2175.5-67-55.6000113.7V25 T29 L30V25-F27 HydrophobicContact CB-CD2 3.69Å; V25-F27 HydrophobicContact CB-CE2 3.95Å; V25-F27 HydrophobicContact CG1-CD2 3.53Å; V25-F27 HydrophobicContact CG1-CE2 3.24Å; V25-F27 HydrophobicContact CG1-CZ 4.07Å; V25-F27 PolarHBondContact O-N 2.75Å; V25-F27 VanDerWaalsContact O-N 3.17Å; F27-T29 PolarHBondContact O-N 3.3Å; F27-T29 VanDerWaalsContact O-N 3.09Å; F27-L30 HydrophobicContact CB-CD1 4.29Å; F27-L30 HydrophobicContact CD1-CD1 3.64Å; F27-L30 HydrophobicContact CD1-CG 4.36Å; F27-L30 HydrophobicContact CE1-CD1 4.48Å; F27-L30 HydrophobicContact CG-CD1 4.42Å; F27-L30 WeakPolarHBondContact O-CB 3.27Å; F27-L30 PolarHBondContact O-N 3.23Å
28A77.7Confident71.6Confident69 Ų69111.4 Ų111.457%0.5756%0.564SS**G310 helixtrans-58.9-20.2173.600000113.4Y24 G26Y24-A28 HydrophobicContact CE2-CB 4.09Å; G26-A28 PolarHBondContact O-N 2.8Å; G26-A28 VanDerWaalsContact O-N 3.14Å
29T79.8Confident73.2Confident48 Ų48105.2 Ų105.229%0.29454%0.537SS..G310 helixtrans-86.3-12.8176.3680000113.7G26 F27 N32 Q33G26-T29 PolarHBondContact O-N 3.27Å; G26-T29 PolarHBondContact O-OG1 3.34Å; F27-T29 PolarHBondContact O-N 3.3Å; F27-T29 VanDerWaalsContact O-N 3.09Å; T29-N32 WeakPolarHBondContact O-CB 3.49Å; T29-N32 PolarHBondContact O-N 3.34Å; T29-N32 VanDerWaalsContact O-N 3.11Å; T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 3.47Å; T29-Q33 PolarHBondContact OG1-NE2 3.42Å
30L81.7Confident74.4Confident81 Ų81107.5 Ų107.542%0.42454%0.542SS..Hα-helixtrans-57.7-45.3-177.8-74.1176.3000113F27 N32 Q33 V34F27-L30 HydrophobicContact CB-CD1 4.29Å; F27-L30 HydrophobicContact CD1-CD1 3.64Å; F27-L30 HydrophobicContact CD1-CG 4.36Å; F27-L30 HydrophobicContact CE1-CD1 4.48Å; F27-L30 HydrophobicContact CG-CD1 4.42Å; F27-L30 WeakPolarHBondContact O-CB 3.27Å; F27-L30 PolarHBondContact O-N 3.23Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.47Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 3.01Å; L30-Q33 VanDerWaalsContact O-N 3.08Å; L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 2.94Å
31P84.9Confident75.6Confident86 Ų86111.1 Ų111.156%0.55855%0.554SS**Hα-helixtrans-58.2-40.7175.9-24.935.5000112.1Q33 V34 H35P31-Q33 PolarHBondContact O-N 2.97Å; P31-V34 PolarHBondContact O-N 2.96Å; P31-H35 WeakPolarHBondContact O-CB 3.42Å; P31-H35 PolarHBondContact O-N 3.38Å
32N82.3Confident76.7Confident115 Ų115105.8 Ų105.862%0.61553%0.528SS*.Hα-helixtrans-67.2-36176.8-66.5-27.1000112.1T29 L30 R36T29-N32 WeakPolarHBondContact O-CB 3.49Å; T29-N32 PolarHBondContact O-N 3.34Å; T29-N32 VanDerWaalsContact O-N 3.11Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 3.47Å; N32-R36 VanDerWaalsContact O-CB 3.22Å; N32-R36 WeakPolarHBondContact O-CB 3.5Å; N32-R36 PolarHBondContact O-N 3.02Å
33Q80.3Confident78Confident110 Ų110101.6 Ų101.651%0.51451%0.51SS..Hα-helixtrans-67.7-44.9174.9-67.9178.935.600111.6T29 L30 P31 R36 K37T29-Q33 WeakPolarHBondContact O-CG 3.41Å; T29-Q33 PolarHBondContact O-N 3.47Å; T29-Q33 PolarHBondContact OG1-NE2 3.42Å; L30-Q33 WeakPolarHBondContact O-CB 3.4Å; L30-Q33 PolarHBondContact O-N 3.01Å; L30-Q33 VanDerWaalsContact O-N 3.08Å; P31-Q33 PolarHBondContact O-N 2.97Å; Q33-R36 PolarHBondContact O-N 3.39Å; Q33-K37 WeakPolarHBondContact O-CB 3.29Å; Q33-K37 PolarHBondContact O-N 3.44Å
34V81.8Confident79.3Confident91 Ų9195.3 Ų95.355%0.55248%0.482SS*.Hα-helixtrans-65.1-44.5177.3174.80000110.3L30 P31 K37 S38L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 2.94Å; P31-V34 PolarHBondContact O-N 2.96Å; V34-K37 PolarHBondContact O-N 2.99Å; V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.01Å; V34-S38 PolarHBondContact O-OG 3.47Å
35H78.8Confident80.4Confident123 Ų12389.3 Ų89.357%0.56946%0.459SS*.Hα-helixtrans-58-51.4174-178.573.2000110.6P31 K37 S38 V39P31-H35 WeakPolarHBondContact O-CB 3.42Å; P31-H35 PolarHBondContact O-N 3.38Å; H35-K37 VanDerWaalsContact C-N 3.31Å; H35-K37 PolarHBondContact O-N 3.21Å; H35-S38 PolarHBondContact O-N 3.39Å; H35-S38 VanDerWaalsContact O-N 3.16Å; H35-V39 WeakPolarHBondContact O-CB 3.48Å; H35-V39 VanDerWaalsContact O-CG2 3.22Å; H35-V39 WeakPolarHBondContact O-CG2 3.44Å; H35-V39 PolarHBondContact O-N 2.73Å
36R78.3Confident81.5Confident169 Ų16984.2 Ų84.264%0.63843%0.428SS*.Hα-helixtrans-60.9-38.1178.5-170.7177.9-173.2-1702.5112.7N32 Q33 K40N32-R36 VanDerWaalsContact O-CB 3.22Å; N32-R36 WeakPolarHBondContact O-CB 3.5Å; N32-R36 PolarHBondContact O-N 3.02Å; Q33-R36 PolarHBondContact O-N 3.39Å; R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 VanDerWaalsContact O-CG 3.27Å; R36-K40 WeakPolarHBondContact O-CG 3.48Å; R36-K40 PolarHBondContact O-N 3.21Å; R36-K40 VanDerWaalsContact O-N 3.08Å
37K81.6Confident82.4Confident163 Ų16383.1 Ų83.171%0.70942%0.417SS*.Hα-helixtrans-68.3-41.4176.8-170.2-179.6178.4-175.40111.3Q33 V34 H35 K40 K41Q33-K37 WeakPolarHBondContact O-CB 3.29Å; Q33-K37 PolarHBondContact O-N 3.44Å; V34-K37 PolarHBondContact O-N 2.99Å; H35-K37 VanDerWaalsContact C-N 3.31Å; H35-K37 PolarHBondContact O-N 3.21Å; K37-K40 PolarHBondContact O-N 2.95Å; K37-K41 PolarHBondContact O-N 3.38Å
38S79.4Confident83.1Confident46 Ų4676.5 Ų76.532%0.32239%0.388SS..Hα-helixtrans-67.9-45.3179.2-54.50000111.2V34 H35 K40 K41 G42V34-S38 WeakPolarHBondContact O-CB 3.42Å; V34-S38 PolarHBondContact O-N 3.01Å; V34-S38 PolarHBondContact O-OG 3.47Å; H35-S38 PolarHBondContact O-N 3.39Å; H35-S38 VanDerWaalsContact O-N 3.16Å; S38-K40 VanDerWaalsContact C-N 3.3Å; S38-K40 PolarHBondContact O-N 3.36Å; S38-K41 PolarHBondContact O-N 2.85Å; S38-K41 VanDerWaalsContact O-N 3.14Å; S38-G42 PolarHBondContact O-N 3.5Å
39V79.5Confident83.7Confident34 Ų3473.2 Ų73.221%0.20636%0.36CS..Hα-helixtrans-60.1-39.8174.6174.40000111.5H35 G42 G99 V100H35-V39 WeakPolarHBondContact O-CB 3.48Å; H35-V39 VanDerWaalsContact O-CG2 3.22Å; H35-V39 WeakPolarHBondContact O-CG2 3.44Å; H35-V39 PolarHBondContact O-N 2.73Å; V39-G42 PolarHBondContact O-N 2.94Å; V39-G99 VanDerWaalsContact CG1-O 3.24Å; V39-G99 WeakPolarHBondContact CG1-O 3.2Å; V39-V100 HydrophobicContact CG2-CG2 4.38Å
40K77.7Confident84.2Confident156 Ų15670.9 Ų70.968%0.67835%0.346SS*.Hα-helixtrans-67.7-36.5175.2-80.8-178177.1-170.30113.5R36 K37 S38 G42R36-K40 WeakPolarHBondContact O-CB 3.34Å; R36-K40 VanDerWaalsContact O-CG 3.27Å; R36-K40 WeakPolarHBondContact O-CG 3.48Å; R36-K40 PolarHBondContact O-N 3.21Å; R36-K40 VanDerWaalsContact O-N 3.08Å; K37-K40 PolarHBondContact O-N 2.95Å; S38-K40 VanDerWaalsContact C-N 3.3Å; S38-K40 PolarHBondContact O-N 3.36Å; K40-G42 VanDerWaalsContact C-N 3.31Å
41K78.7Confident84.6Confident175 Ų17567 Ų6776%0.76133%0.326SS*.Hα-helixtrans-71.1-33.3178-168.8-179.6177.4-1710110.8K37 S38K37-K41 PolarHBondContact O-N 3.38Å; S38-K41 PolarHBondContact O-N 2.85Å; S38-K41 VanDerWaalsContact O-N 3.14Å
42G82.2Confident84.6Confident12 Ų1264.6 Ų64.612%0.12431%0.307CS..  trans75.8179.3-170.400000111.7S38 V39 K40 K101S38-G42 PolarHBondContact O-N 3.5Å; V39-G42 PolarHBondContact O-N 2.94Å; K40-G42 VanDerWaalsContact C-N 3.31Å; G42-K101 CarbonylContact C-O 3.55Å; G42-K101 WeakPolarHBondContact CA-O 3.47Å
43F84.7Confident84.7Confident76 Ų7660.2 Ų60.233%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-118.2139.9177.6-61.2-83.2000109.4V100 K101 L102 K103F43-V100 HydrophobicContact CD2-CG1 3.59Å; F43-V100 HydrophobicContact CE2-CG1 3.6Å; F43-K101 PolarHBondContact N-O 3.27Å; F43-L102 HydrophobicContact CB-CD1 3.76Å; F43-L102 CarbonylContact O-C 3.57Å; F43-L102 WeakPolarHBondContact O-CA 3.43Å; F43-K103 PolarHBondContact O-N 3.09Å
44D89.1Confident84.8Confident43 Ų4357.5 Ų57.523%0.2329%0.287CS..EExtended strand (participates in β ladder)trans-106.2130.7169.9-56.5-53.4000107.9K103 D150 K296D44-K103 WeakPolarHBondContact CA-O 3.49Å; D44-K103 WeakPolarHBondContact OD1-CB 3.44Å; D44-D150 HydrophobicContact CB-CB 4.4Å; D44-K296 PolarHBondContact O-NZ 3.46Å; D44-K296 VanDerWaalsContact O-NZ 3.12Å
45F90.3Very high85Confident7 Ų753.6 Ų53.63%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-136.3132.9175.6-173.6-106.6000109.7L47 L102 K103 L104 T105 H154 C155 M292 L295F45-L47 HydrophobicContact CE1-CB 4.15Å; F45-L47 HydrophobicContact CE1-CD1 4.16Å; F45-L102 HydrophobicContact CB-CD1 3.97Å; F45-K103 PolarHBondContact N-O 3.48Å; F45-L104 HydrophobicContact CB-CD1 4.49Å; F45-L104 HydrophobicContact CD1-CD1 3.67Å; F45-L104 HydrophobicContact CE1-CD1 4.49Å; F45-L104 CarbonylContact O-C 3.59Å; F45-L104 WeakPolarHBondContact O-CA 3.45Å; F45-T105 PolarHBondContact O-N 2.82Å; F45-H154 HydrophobicContact CD2-CB 3.88Å; F45-H154 HydrophobicContact CE2-CB 3.65Å; F45-H154 HydrophobicContact CZ-CB 4.41Å; F45-C155 HydrophobicContact CZ-CB 4.01Å; F45-M292 HydrophobicContact CB-CG 4.5Å; F45-M292 HydrophobicContact CB-SD 4.2Å; F45-M292 HydrophobicContact CD2-CG 3.57Å; F45-M292 HydrophobicContact CD2-SD 4.35Å; F45-M292 HydrophobicContact CE2-CG 3.81Å; F45-M292 HydrophobicContact CG-CG 3.96Å; F45-M292 HydrophobicContact CG-SD 4.17Å; F45-M292 HydrophobicContact CZ-CG 4.39Å; F45-L295 HydrophobicContact CE2-CB 4.37Å; F45-L295 HydrophobicContact CE2-CD1 4.4Å; F45-L295 HydrophobicContact CZ-CD1 4.21Å
46T91.7Very high85.2Confident2 Ų248.9 Ų48.91%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-122115.9-176.9-49.70000109.5T105 V107 R152 V153 H154 C155T46-T105 CarbonylContact C-O 3.56Å; T46-T105 WeakPolarHBondContact CA-O 3.28Å; T46-T105 HydrophobicContact CG2-CG2 4.12Å; T46-V107 HydrophobicContact CG2-CG2 3.84Å; T46-R152 WeakPolarHBondContact CB-O 3.43Å; T46-R152 PolarHBondContact OG1-O 2.81Å; T46-V153 HydrophobicContact CG2-CG2 4.4Å; T46-H154 PolarHBondContact N-ND1 3.36Å; T46-H154 PolarHBondContact O-N 2.94Å; T46-C155 PolarHBondContact O-N 2.87Å
47L91.9Very high85.5Confident0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-107.5119.3-179.5-172.770.8000109.1F45 F65 T105 I106 V107 C155 L157 L287F45-L47 HydrophobicContact CE1-CB 4.15Å; F45-L47 HydrophobicContact CE1-CD1 4.16Å; L47-F65 HydrophobicContact CD2-CE2 3.87Å; L47-F65 HydrophobicContact CD2-CZ 4.07Å; L47-T105 PolarHBondContact N-O 3.48Å; L47-I106 CarbonylContact O-C 3.48Å; L47-I106 WeakPolarHBondContact O-CA 3.35Å; L47-V107 PolarHBondContact O-N 2.83Å; L47-C155 HydrophobicContact CD1-CB 3.91Å; L47-L157 HydrophobicContact CD1-CD1 4.07Å; L47-L157 HydrophobicContact CD1-CD2 4.25Å; L47-L157 HydrophobicContact CD1-CG 3.77Å; L47-L157 HydrophobicContact CD2-CD1 3.86Å; L47-L157 HydrophobicContact CD2-CG 4.44Å; L47-L157 HydrophobicContact CG-CD1 4.25Å; L47-L157 HydrophobicContact CG-CG 4.29Å; L47-L287 HydrophobicContact CD1-CD2 4.29Å
48M92.3Very high85.5Confident0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-96142.8170.3179.9177.6-91.200110V107 T109 I125 Y128 V129 V153 C155 C156 L157M48-V107 WeakPolarHBondContact CA-O 3.34Å; M48-V107 HydrophobicContact CB-CB 4.24Å; M48-V107 HydrophobicContact CE-CB 4.38Å; M48-V107 HydrophobicContact CE-CG1 3.75Å; M48-V107 HydrophobicContact CG-CB 4.34Å; M48-V107 HydrophobicContact CG-CG1 4.44Å; M48-T109 HydrophobicContact CE-CG2 4.18Å; M48-T109 HydrophobicContact CG-CG2 3.96Å; M48-T109 HydrophobicContact SD-CG2 4.24Å; M48-I125 HydrophobicContact CE-CG2 4Å; M48-I125 HydrophobicContact SD-CG2 3.55Å; M48-I125 VanDerWaalsContact SD-CG2 3.55Å; M48-Y128 HydrophobicContact CE-CD1 3.49Å; M48-Y128 VanDerWaalsContact CE-CD1 3.49Å; M48-Y128 HydrophobicContact CE-CE1 3.82Å; M48-Y128 HydrophobicContact CE-CG 4.36Å; M48-V129 HydrophobicContact CE-CG2 4.11Å; M48-V129 HydrophobicContact SD-CG2 4.38Å; M48-V153 HydrophobicContact CB-CG1 3.44Å; M48-V153 VanDerWaalsContact CB-CG1 3.44Å; M48-V153 HydrophobicContact CB-CG2 4.48Å; M48-V153 HydrophobicContact CE-CG2 4.03Å; M48-V153 HydrophobicContact SD-CG1 4.42Å; M48-C155 PolarHBondContact N-O 2.67Å; M48-C156 HydrophobicContact CB-CB 4.46Å; M48-C156 CarbonylContact O-C 3.6Å; M48-C156 WeakPolarHBondContact O-CA 3.19Å; M48-L157 PolarHBondContact O-N 3.31Å
49V91.2Very high85.7Confident0 Ų035 Ų350%019%0.194CC..EExtended strand (participates in β ladder)trans-120.7121.3176.1169.10000108.8K57 V61 V107 T109 L157 F159V49-K57 HydrophobicContact CG1-CB 3.55Å; V49-K57 HydrophobicContact CG1-CD 3.75Å; V49-K57 HydrophobicContact CG1-CG 3.76Å; V49-V61 HydrophobicContact CB-CG2 4.49Å; V49-V61 HydrophobicContact CG2-CG2 3.67Å; V49-V107 PolarHBondContact N-O 2.97Å; V49-T109 WeakPolarHBondContact O-CB 3.27Å; V49-T109 PolarHBondContact O-N 3.03Å; V49-T109 PolarHBondContact O-OG1 3.04Å; V49-L157 HydrophobicContact CG2-CB 4.32Å; V49-L157 HydrophobicContact CG2-CD1 4.36Å; V49-F159 HydrophobicContact CB-CE2 4.4Å; V49-F159 HydrophobicContact CG1-CD2 3.94Å; V49-F159 HydrophobicContact CG1-CE2 3.36Å; V49-F159 HydrophobicContact CG1-CZ 4.05Å; V49-F159 HydrophobicContact CG2-CE2 4.43Å
50A90.5Very high86Confident0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-129.2147.5-17900000110.9T109 L157 Y158 F159 F174A50-T109 WeakPolarHBondContact CA-OG1 3.43Å; A50-L157 PolarHBondContact N-O 3.06Å; A50-L157 VanDerWaalsContact O-O 3.14Å; A50-Y158 HydrophobicContact CB-CD2 4.17Å; A50-Y158 WeakPolarHBondContact O-CA 3.37Å; A50-F159 WeakPolarHBondContact O-CD2 3.44Å; A50-F159 PolarHBondContact O-N 3.31Å; A50-F174 HydrophobicContact CB-CE1 3.83Å; A50-F174 HydrophobicContact CB-CZ 3.77Å
51G88.5Confident86.2Confident0 Ų026.3 Ų26.30%015%0.154CC..EExtended strand (participates in β ladder)trans154.6174.4178.500000111.6K57 F112G51-K57 PolarHBondContact O-NZ 3.41Å; G51-F112 VanDerWaalsContact C-CE1 3.45Å
52E86.2Confident86.2Confident34 Ų3419 Ų1916%0.15912%0.122CC..BIsolated β-bridgetrans-61.3158.1179.5-71.3-169.6159.400114L55 K57 F112 R168E52-L55 HydrophobicContact CB-CD1 3.84Å; E52-L55 HydrophobicContact CB-CG 3.96Å; E52-K57 PolarHBondContact O-NZ 3.44Å; E52-F112 VanDerWaalsContact CA-O 3.22Å; E52-F112 WeakPolarHBondContact CA-O 3.41Å; E52-F112 HydrophobicContact CG-CD2 4.1Å; E52-F112 HydrophobicContact CG-CE2 3.98Å; E52-F112 WeakPolarHBondContact CG-O 3.4Å; E52-R168 IonicContact OE1-CZ 3.63Å; E52-R168 IonicContact OE1-NE 2.94Å; E52-R168 IonicContact OE1-NH1 2.74Å; E52-R168 PolarHBondContact OE1-NH1 3.06Å; E52-R168 IonicContact OE1-NH2 2.72Å; E52-R168 PolarHBondContact OE1-NH2 2.94Å; E52-R168 IonicContact OE2-CZ 3.36Å; E52-R168 IonicContact OE2-NH1 2.61Å; E52-R168 PolarHBondContact OE2-NH1 2.61Å; E52-R168 IonicContact OE2-NH2 3.3Å; E52-R168 PolarHBondContact OE2-NH2 3.38Å
53S84.5Confident86.1Confident24 Ų2418.4 Ų18.417%0.16812%0.116CC..THydrogen-bonded Turntrans-59.2145172-155.90000111.4L55 Q84 F112 D114S53-L55 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact O-N 3.15Å; S53-Q84 PolarHBondContact OG-NE2 3.27Å; S53-F112 PolarHBondContact N-O 3.21Å; S53-D114 WeakPolarHBondContact CB-OD1 3.36Å; S53-D114 WeakPolarHBondContact CB-OD2 3.25Å; S53-D114 PolarHBondContact OG-OD2 2.53Å
54G82.4Confident85.7Confident52 Ų5215 Ų1554%0.53610%0.101SC..THydrogen-bonded Turntrans71.93.9176.200000116.5G56 K190G54-G56 PolarHBondContact O-N 2.93Å; G54-K190 WeakPolarHBondContact O-CE 3.3Å; G54-K190 PolarHBondContact O-NZ 3.32Å
55L86.3Confident84.9Confident10 Ų1014 Ų145%0.05210%0.095CC..SBendtrans-73.2-7.8175-66.8-173000114.4E52 S53 F159 A189E52-L55 HydrophobicContact CB-CD1 3.84Å; E52-L55 HydrophobicContact CB-CG 3.96Å; S53-L55 PolarHBondContact O-N 3.45Å; S53-L55 VanDerWaalsContact O-N 3.15Å; L55-F159 HydrophobicContact CB-CB 4.31Å; L55-F159 HydrophobicContact CB-CD1 4.48Å; L55-F159 HydrophobicContact CD1-CB 3.75Å; L55-F159 VanDerWaalsContact CD1-O 3.24Å; L55-F159 WeakPolarHBondContact CD1-O 3.43Å; L55-A189 HydrophobicContact CB-CB 3.84Å; L55-A189 HydrophobicContact CD1-CB 4.27Å; L55-A189 HydrophobicContact CD2-CB 4.17Å; L55-A189 HydrophobicContact CG-CB 4.32Å
56G83.3Confident83.7Confident24 Ų2418.2 Ų18.225%0.24712%0.117CC..  trans88.725.2-179.500000114.2G54 T59 L60G54-G56 PolarHBondContact O-N 2.93Å; G56-T59 WeakPolarHBondContact O-CB 3.49Å; G56-T59 PolarHBondContact O-N 3.43Å; G56-L60 PolarHBondContact O-N 3.38Å
57K84.5Confident82Confident13 Ų1320.8 Ų20.86%0.05713%0.133CC..Hα-helixtrans-47.9-62.8176.9-67.5-166.2-53.9-90.40113V49 G51 E52 T59 L60 V61 G111 F159V49-K57 HydrophobicContact CG1-CB 3.55Å; V49-K57 HydrophobicContact CG1-CD 3.75Å; V49-K57 HydrophobicContact CG1-CG 3.76Å; G51-K57 PolarHBondContact O-NZ 3.41Å; E52-K57 PolarHBondContact O-NZ 3.44Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.94Å; K57-L60 PolarHBondContact O-N 2.87Å; K57-L60 VanDerWaalsContact O-N 3.15Å; K57-V61 WeakPolarHBondContact O-CG2 3.27Å; K57-V61 PolarHBondContact O-N 3.5Å; K57-V61 VanDerWaalsContact O-N 3.11Å; K57-G111 VanDerWaalsContact NZ-CA 3.28Å; K57-F159 HydrophobicContact CB-CZ 4.5Å; K57-F159 HydrophobicContact CD-CD2 4.5Å; K57-F159 HydrophobicContact CG-CD1 4.22Å; K57-F159 HydrophobicContact CG-CD2 4.03Å; K57-F159 HydrophobicContact CG-CE1 4.39Å; K57-F159 HydrophobicContact CG-CE2 4.25Å; K57-F159 HydrophobicContact CG-CG 4.01Å; K57-F159 HydrophobicContact CG-CZ 4.38Å
58S81.1Confident80.1Confident25 Ų2525.1 Ų25.118%0.17516%0.156CC..Hα-helixtrans-62.9-36.9-179.9-33.50000111.5L60 V61 H62 D108S58-L60 PolarHBondContact O-N 3.24Å; S58-V61 WeakPolarHBondContact O-CB 3.36Å; S58-V61 PolarHBondContact O-N 2.97Å; S58-H62 PolarHBondContact O-CD2 3.36Å; S58-H62 PolarHBondContact O-N 3.46Å; S58-H62 VanDerWaalsContact O-N 3.08Å; S58-H62 PolarHBondContact O-NE2 2.95Å; S58-D108 PolarHBondContact OG-OD2 3.44Å
59T83.5Confident78.2Confident49 Ų4927 Ų2730%0.30117%0.166SC..Hα-helixtrans-60.6-43174.4-50.50000112.3G56 K57 H62 S63 N250G56-T59 WeakPolarHBondContact O-CB 3.49Å; G56-T59 PolarHBondContact O-N 3.43Å; K57-T59 VanDerWaalsContact C-N 3.3Å; K57-T59 PolarHBondContact O-N 2.94Å; T59-H62 PolarHBondContact O-N 3.46Å; T59-S63 WeakPolarHBondContact O-CB 3.37Å; T59-S63 PolarHBondContact O-N 3.48Å; T59-N250 WeakPolarHBondContact CG2-OD1 3.48Å
60L84.4Confident76.4Confident3 Ų329 Ų292%0.01617%0.174CC..Hα-helixtrans-64.8-41.9177.4-168.675.8000111G56 K57 S58 H62 S63 L64 F159 L187 V246 F280 L283G56-L60 PolarHBondContact O-N 3.38Å; K57-L60 PolarHBondContact O-N 2.87Å; K57-L60 VanDerWaalsContact O-N 3.15Å; S58-L60 PolarHBondContact O-N 3.24Å; L60-H62 VanDerWaalsContact C-N 3.33Å; L60-H62 PolarHBondContact O-N 2.92Å; L60-S63 WeakPolarHBondContact O-CA 3.45Å; L60-S63 WeakPolarHBondContact O-CB 3.29Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-S63 VanDerWaalsContact O-N 3.09Å; L60-L64 HydrophobicContact CD2-CD1 4.32Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; L60-F159 HydrophobicContact CB-CE1 3.91Å; L60-F159 HydrophobicContact CB-CZ 3.78Å; L60-F159 HydrophobicContact CD2-CE1 3.61Å; L60-F159 HydrophobicContact CD2-CE2 4.26Å; L60-F159 HydrophobicContact CD2-CZ 3.27Å; L60-F159 HydrophobicContact CG-CE1 4.34Å; L60-F159 HydrophobicContact CG-CZ 4.12Å; L60-L187 HydrophobicContact CD2-CD1 3.76Å; L60-V246 HydrophobicContact CD1-CB 4.07Å; L60-V246 HydrophobicContact CD1-CG2 4.09Å; L60-V246 HydrophobicContact CD2-CG2 4.03Å; L60-F280 HydrophobicContact CD1-CD2 3.77Å; L60-F280 HydrophobicContact CD1-CE2 3.78Å; L60-L283 HydrophobicContact CD2-CD2 4.13Å
61V83.1Confident74.3Confident4 Ų436.7 Ų36.72%0.02421%0.208CC..Hα-helixtrans-56.6-46.6176.6170.80000111.2V49 K57 S58 S63 L64 F65 L69 I106V49-V61 HydrophobicContact CB-CG2 4.49Å; V49-V61 HydrophobicContact CG2-CG2 3.67Å; K57-V61 WeakPolarHBondContact O-CG2 3.27Å; K57-V61 PolarHBondContact O-N 3.5Å; K57-V61 VanDerWaalsContact O-N 3.11Å; S58-V61 WeakPolarHBondContact O-CB 3.36Å; S58-V61 PolarHBondContact O-N 2.97Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 3.44Å; V61-L64 PolarHBondContact O-N 3.49Å; V61-F65 HydrophobicContact CG1-CD2 4.49Å; V61-F65 PolarHBondContact O-N 2.91Å; V61-L69 HydrophobicContact CG1-CD1 3.88Å; V61-I106 HydrophobicContact CG1-CB 4.44Å; V61-I106 HydrophobicContact CG1-CD1 3.55Å; V61-I106 HydrophobicContact CG1-CG1 4.13Å; V61-I106 HydrophobicContact CG1-CG2 3.79Å; V61-I106 HydrophobicContact CG2-CG2 4.11Å
62H79.5Confident72.1Confident20 Ų2044.3 Ų44.39%0.09325%0.248CC..Hα-helixtrans-66.2-35.6178.1-61.5-172.7000111.3S58 T59 L60 L66 Y70S58-H62 PolarHBondContact O-CD2 3.36Å; S58-H62 PolarHBondContact O-N 3.46Å; S58-H62 VanDerWaalsContact O-N 3.08Å; S58-H62 PolarHBondContact O-NE2 2.95Å; T59-H62 PolarHBondContact O-N 3.46Å; L60-H62 VanDerWaalsContact C-N 3.33Å; L60-H62 PolarHBondContact O-N 2.92Å; H62-L66 PolarHBondContact O-N 3.46Å; H62-Y70 AromaticContact CD2-CD2 3.57Å; H62-Y70 AromaticContact CD2-CE2 3.5Å; H62-Y70 AromaticContact CE1-CD2 3.03Å; H62-Y70 WeakPolarHBondContact CE1-CD2 3.41Å; H62-Y70 AromaticContact CE1-CE2 3.57Å; H62-Y70 AromaticContact CE1-CG 3.59Å; H62-Y70 AromaticContact ND1-CD2 3.97Å; H62-Y70 AromaticContact NE2-CD2 2.76Å; H62-Y70 WeakPolarHBondContact NE2-CD2 3.31Å; H62-Y70 AromaticContact NE2-CE2 2.77Å; H62-Y70 WeakPolarHBondContact NE2-CE2 3.38Å; H62-Y70 AromaticContact NE2-CG 3.69Å; H62-Y70 AromaticContact NE2-CZ 3.69Å
63S78.6Confident70.1Confident1 Ų150.1 Ų50.11%0.00727%0.269CS..Hα-helixtrans-64.7-43.4178.1-166.80000111.3T59 L60 V61 R261 F280T59-S63 WeakPolarHBondContact O-CB 3.37Å; T59-S63 PolarHBondContact O-N 3.48Å; L60-S63 WeakPolarHBondContact O-CA 3.45Å; L60-S63 WeakPolarHBondContact O-CB 3.29Å; L60-S63 PolarHBondContact O-N 3.46Å; L60-S63 VanDerWaalsContact O-N 3.09Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 3.44Å; S63-R261 PolarHBondContact O-NH1 3Å; S63-F280 VanDerWaalsContact OG-CZ 3.3Å; S63-F280 WeakPolarHBondContact OG-CZ 3.46Å
64L77Confident67.8Low4 Ų457.2 Ų57.22%0.02130%0.297CS..Hα-helixtrans-64.3-46.6-177.3-76.8170.2000112.8L60 V61 L157 F280 L283 R284 L287L60-L64 HydrophobicContact CD2-CD1 4.32Å; L60-L64 HydrophobicContact CG-CD1 4.21Å; L60-L64 HydrophobicContact CG-CG 4.37Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.01Å; V61-L64 PolarHBondContact O-N 3.49Å; L64-L157 HydrophobicContact CD1-CD1 4.14Å; L64-F280 HydrophobicContact CD2-CD2 4.34Å; L64-F280 HydrophobicContact CD2-CE2 3.56Å; L64-F280 HydrophobicContact CD2-CZ 3.81Å; L64-F280 HydrophobicContact CG-CE2 3.85Å; L64-F280 HydrophobicContact CG-CZ 4.2Å; L64-L283 HydrophobicContact CD2-CD2 4.42Å; L64-R284 HydrophobicContact CD2-CB 4.15Å; L64-L287 HydrophobicContact CD1-CD1 4.21Å
65F71.7Confident66Low22 Ų2262.1 Ų62.110%0.09631%0.309CS..Hα-helixtrans-97.88.3-171.5-63-67.9000114.4L47 V61 T67 I95 L104 I106 I288L47-F65 HydrophobicContact CD2-CE2 3.87Å; L47-F65 HydrophobicContact CD2-CZ 4.07Å; V61-F65 HydrophobicContact CG1-CD2 4.49Å; V61-F65 PolarHBondContact O-N 2.91Å; F65-T67 PolarHBondContact O-N 3.35Å; F65-T67 PolarHBondContact O-OG1 3.24Å; F65-I95 HydrophobicContact CD1-CD1 3.88Å; F65-L104 HydrophobicContact CB-CD2 4.43Å; F65-L104 HydrophobicContact CD1-CD2 3.32Å; F65-L104 HydrophobicContact CD2-CD2 3.57Å; F65-L104 HydrophobicContact CE1-CD1 4.08Å; F65-L104 HydrophobicContact CE1-CD2 3.26Å; F65-L104 HydrophobicContact CE1-CG 4.29Å; F65-L104 HydrophobicContact CE2-CD1 4.42Å; F65-L104 HydrophobicContact CE2-CD2 3.52Å; F65-L104 HydrophobicContact CG-CD2 3.47Å; F65-L104 VanDerWaalsContact CG-CD2 3.47Å; F65-L104 HydrophobicContact CZ-CD1 3.8Å; F65-L104 HydrophobicContact CZ-CD2 3.35Å; F65-L104 HydrophobicContact CZ-CG 4.2Å; F65-I106 HydrophobicContact CD2-CD1 3.92Å; F65-I106 HydrophobicContact CE2-CD1 4.18Å; F65-I106 HydrophobicContact CE2-CG1 4.29Å; F65-I288 HydrophobicContact CE1-CD1 4.21Å
66L65.1Low63.6Low95 Ų9564.8 Ų64.850%0.49732%0.324SS..  trans50.89.6179.6-57.1176.6000115H62 R261H62-L66 PolarHBondContact O-N 3.46Å; L66-R261 VanDerWaalsContact CD2-NH1 3.29Å
67T57.3Low61.4Low56 Ų5666.2 Ų66.234%0.34433%0.33SS..  trans-106.5127-172.6-56.60000107.1F65 L69F65-T67 PolarHBondContact O-N 3.35Å; F65-T67 PolarHBondContact O-OG1 3.24Å; T67-L69 HydrophobicContact CG2-CD2 3.72Å; T67-L69 HydrophobicContact CG2-CG 4.31Å; T67-L69 PolarHBondContact O-N 2.91Å
68D51.8Low59.4Low91 Ų9169 Ų6949%0.48736%0.355SS..  trans-72.579.1169.9-63.8-44000108.7Y70 K71D68-Y70 PolarHBondContact O-N 3.06Å; D68-K71 HydrophobicContact CB-CB 4.31Å; D68-K71 HydrophobicContact CB-CD 3.75Å; D68-K71 HydrophobicContact CB-CG 3.52Å; D68-K71 PolarHBondContact O-N 3.28Å; D68-K71 WeakPolarHBondContact OD2-CE 3.37Å; D68-K71 IonicContact OD2-NZ 3.94Å
69L52.4Low57.6Low41 Ų4175.4 Ų75.422%0.21538%0.382CS..THydrogen-bonded Turntrans-60.9-12.7177.9-62.3174000112.6V61 T67 V93 I106V61-L69 HydrophobicContact CG1-CD1 3.88Å; T67-L69 HydrophobicContact CG2-CD2 3.72Å; T67-L69 HydrophobicContact CG2-CG 4.31Å; T67-L69 PolarHBondContact O-N 2.91Å; L69-V93 HydrophobicContact CD1-CG2 4.34Å; L69-V93 HydrophobicContact CD2-CB 4.37Å; L69-V93 HydrophobicContact CD2-CG1 4.23Å; L69-V93 HydrophobicContact CD2-CG2 3.23Å; L69-V93 HydrophobicContact CG-CG2 4.41Å; L69-I106 HydrophobicContact CD1-CD1 3.51Å
70Y53.7Low55.8Low42 Ų4277.2 Ų77.217%0.16539%0.388CS..THydrogen-bonded Turntrans-125.333-176.2-60.8-107.9000111.2H62 D68 D72 R73H62-Y70 AromaticContact CD2-CD2 3.57Å; H62-Y70 AromaticContact CD2-CE2 3.5Å; H62-Y70 AromaticContact CE1-CD2 3.03Å; H62-Y70 WeakPolarHBondContact CE1-CD2 3.41Å; H62-Y70 AromaticContact CE1-CE2 3.57Å; H62-Y70 AromaticContact CE1-CG 3.59Å; H62-Y70 AromaticContact ND1-CD2 3.97Å; H62-Y70 AromaticContact NE2-CD2 2.76Å; H62-Y70 WeakPolarHBondContact NE2-CD2 3.31Å; H62-Y70 AromaticContact NE2-CE2 2.77Å; H62-Y70 WeakPolarHBondContact NE2-CE2 3.38Å; H62-Y70 AromaticContact NE2-CG 3.69Å; H62-Y70 AromaticContact NE2-CZ 3.69Å; D68-Y70 PolarHBondContact O-N 3.06Å; Y70-D72 PolarHBondContact O-N 3.48Å; Y70-D72 VanDerWaalsContact O-N 3.09Å; Y70-R73 HydrophobicContact CD1-CG 4.08Å; Y70-R73 PolarHBondContact O-N 2.81Å
71K45.5Very low53.9Low161 Ų16184.7 Ų84.770%0.742%0.416SS*.THydrogen-bonded Turntrans-51.1-29171.5-104.9160.6-174.5179.80112.6D68D68-K71 HydrophobicContact CB-CB 4.31Å; D68-K71 HydrophobicContact CB-CD 3.75Å; D68-K71 HydrophobicContact CB-CG 3.52Å; D68-K71 PolarHBondContact O-N 3.28Å; D68-K71 WeakPolarHBondContact OD2-CE 3.37Å; D68-K71 IonicContact OD2-NZ 3.94Å
72D42.6Very low52Low159 Ų15990.5 Ų90.585%0.8545%0.445SS*.THydrogen-bonded Turntrans-98.712.6178.8-64.8-42000114.9Y70 K74Y70-D72 PolarHBondContact O-N 3.48Å; Y70-D72 VanDerWaalsContact O-N 3.09Å; D72-K74 PolarHBondContact O-N 3.47Å
73R43.7Very low50.3Low157 Ų15792.9 Ų92.959%0.59246%0.464SS*.  trans-69.190.4166.7-110.1-173.4175-175.60.1108.3Y70 L75Y70-R73 HydrophobicContact CD1-CG 4.08Å; Y70-R73 PolarHBondContact O-N 2.81Å; R73-L75 PolarHBondContact O-N 3.4Å
74K37.3Very low49Very low173 Ų17397.7 Ų97.775%0.75249%0.486SS*.  trans-45.2136.8149.4-75-179.9178.2176.10106.2D72 L76D72-K74 PolarHBondContact O-N 3.47Å; K74-L76 HydrophobicContact CB-CD2 4.45Å; K74-L76 WeakPolarHBondContact O-CG 3.27Å; K74-L76 PolarHBondContact O-N 3.02Å
75L43.4Very low47.9Very low154 Ų15498.8 Ų98.881%0.80649%0.493SS*.  trans-64.485.4166.1-70.5168.5000105.7R73R73-L75 PolarHBondContact O-N 3.4Å
76L37Very low47.3Very low67 Ų67103.1 Ų103.135%0.35152%0.521SS..  trans-56.5144.5177.1-68.9170.2000107.1K74 E80K74-L76 HydrophobicContact CB-CD2 4.45Å; K74-L76 WeakPolarHBondContact O-CG 3.27Å; K74-L76 PolarHBondContact O-N 3.02Å; L76-E80 VanDerWaalsContact CA-OE2 3.26Å; L76-E80 WeakPolarHBondContact CA-OE2 3.17Å; L76-E80 HydrophobicContact CB-CB 3.44Å; L76-E80 VanDerWaalsContact CB-CB 3.44Å; L76-E80 HydrophobicContact CB-CG 4.21Å; L76-E80 WeakPolarHBondContact CB-OE2 3.23Å; L76-E80 HydrophobicContact CD1-CB 4.21Å; L76-E80 HydrophobicContact CD2-CB 4.49Å; L76-E80 VanDerWaalsContact CD2-CD 3.44Å; L76-E80 HydrophobicContact CD2-CG 4.46Å; L76-E80 WeakPolarHBondContact CD2-OE1 3.42Å; L76-E80 VanDerWaalsContact CD2-OE2 3.3Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.49Å; L76-E80 HydrophobicContact CG-CB 4.23Å
77S35.6Very low47.6Very low54 Ų54105.4 Ų105.438%0.37853%0.529SS..  trans-52.3161.3-177.260.30000111.1E79 E80 R81S77-E79 PolarHBondContact O-N 3.45Å; S77-E80 PolarHBondContact N-OE2 3.02Å; S77-E80 PolarHBondContact O-N 3.2Å; S77-E80 PolarHBondContact OG-OE2 2.88Å; S77-R81 PolarHBondContact O-N 3.48Å
78A44Very low48.7Very low72 Ų72104.7 Ų104.760%0.59552%0.523SS*.Hα-helixtrans-52.6-30.4179.600000112.8R81 I82A78-R81 WeakPolarHBondContact O-CB 3.5Å; A78-R81 PolarHBondContact O-N 3.09Å; A78-I82 WeakPolarHBondContact O-CD1 3.33Å; A78-I82 VanDerWaalsContact O-CG1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.47Å; A78-I82 PolarHBondContact O-N 3.39Å; A78-I82 VanDerWaalsContact O-N 3.17Å
79E43.5Very low50.2Low159 Ų159103.7 Ų103.774%0.74352%0.517SS*.Hα-helixtrans-67.5-39.9176.3-69.8159.617600112.7S77 I82 S83S77-E79 PolarHBondContact O-N 3.45Å; E79-I82 WeakPolarHBondContact O-CB 3.29Å; E79-I82 PolarHBondContact O-N 3.37Å; E79-S83 PolarHBondContact O-N 2.81Å
80E44.5Very low51.8Low87 Ų87106.5 Ų106.541%0.40753%0.528SS..Hα-helixtrans-80.3-20.7175-68.9164.9136.500112.2L76 S77 S83L76-E80 VanDerWaalsContact CA-OE2 3.26Å; L76-E80 WeakPolarHBondContact CA-OE2 3.17Å; L76-E80 HydrophobicContact CB-CB 3.44Å; L76-E80 VanDerWaalsContact CB-CB 3.44Å; L76-E80 HydrophobicContact CB-CG 4.21Å; L76-E80 WeakPolarHBondContact CB-OE2 3.23Å; L76-E80 HydrophobicContact CD1-CB 4.21Å; L76-E80 HydrophobicContact CD2-CB 4.49Å; L76-E80 VanDerWaalsContact CD2-CD 3.44Å; L76-E80 HydrophobicContact CD2-CG 4.46Å; L76-E80 WeakPolarHBondContact CD2-OE1 3.42Å; L76-E80 VanDerWaalsContact CD2-OE2 3.3Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.49Å; L76-E80 HydrophobicContact CG-CB 4.23Å; S77-E80 PolarHBondContact N-OE2 3.02Å; S77-E80 PolarHBondContact O-N 3.2Å; S77-E80 PolarHBondContact OG-OE2 2.88Å; E80-S83 WeakPolarHBondContact O-CB 3.24Å; E80-S83 PolarHBondContact O-N 2.91Å; E80-S83 PolarHBondContact O-OG 3.32Å
81R44.7Very low53.2Low160 Ų160107 Ų10760%0.60453%0.531SS*.Hα-helixtrans-68.5-26.1165.7-69.3-177.4-179.2175.8-1.3112.4S77 A78 S83S77-R81 PolarHBondContact O-N 3.48Å; A78-R81 WeakPolarHBondContact O-CB 3.5Å; A78-R81 PolarHBondContact O-N 3.09Å; R81-S83 VanDerWaalsContact C-N 3.27Å
82I43.6Very low55.1Low126 Ų126103.2 Ų103.265%0.64652%0.522SS*.Hα-helixtrans-76.3-17.3172.1-63160.1000110.9A78 E79 Q84A78-I82 WeakPolarHBondContact O-CD1 3.33Å; A78-I82 VanDerWaalsContact O-CG1 3.28Å; A78-I82 WeakPolarHBondContact O-CG1 3.47Å; A78-I82 PolarHBondContact O-N 3.39Å; A78-I82 VanDerWaalsContact O-N 3.17Å; E79-I82 WeakPolarHBondContact O-CB 3.29Å; E79-I82 PolarHBondContact O-N 3.37Å; I82-Q84 PolarHBondContact O-N 3.4Å
83S42.9Very low57Low70 Ų7096.5 Ų96.549%0.4949%0.487SS..  trans-72.343.5162.678.30000112.1E79 E80 R81 T85E79-S83 PolarHBondContact O-N 2.81Å; E80-S83 WeakPolarHBondContact O-CB 3.24Å; E80-S83 PolarHBondContact O-N 2.91Å; E80-S83 PolarHBondContact O-OG 3.32Å; R81-S83 VanDerWaalsContact C-N 3.27Å; S83-T85 PolarHBondContact O-N 3.32Å
84Q52.2Low59Low102 Ų10294.9 Ų94.948%0.47749%0.49SS..  trans-45107.6164-72.9171.6-61.800107.4S53 I82 V86 D114S53-Q84 PolarHBondContact OG-NE2 3.27Å; I82-Q84 PolarHBondContact O-N 3.4Å; Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-V86 WeakPolarHBondContact O-CG2 3.25Å; Q84-V86 PolarHBondContact O-N 3.17Å; Q84-D114 PolarHBondContact NE2-OD2 3.04Å
85T53.7Low61.1Low26 Ų2688.9 Ų88.916%0.1647%0.466CS..  trans5.273.2178.6-0.60000113.9S83 E87 L89 P110S83-T85 PolarHBondContact O-N 3.32Å; T85-E87 PolarHBondContact O-N 2.88Å; T85-L89 HydrophobicContact CG2-CD1 3.6Å; T85-L89 HydrophobicContact CG2-CG 3.99Å; T85-P110 WeakPolarHBondContact O-CA 3.3Å; T85-P110 WeakPolarHBondContact O-CB 3.38Å
86V60Low62.9Low113 Ų11387.6 Ų87.669%0.68546%0.455SS*.  trans-70.5-25.5-174.5-176.50000110.7Q84Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-V86 WeakPolarHBondContact O-CG2 3.25Å; Q84-V86 PolarHBondContact O-N 3.17Å
87E70.5Confident64.6Low144 Ų14490.2 Ų90.267%0.67347%0.466SS*.SBendtrans-119.4156.2-178.7-63.5-178.6174.300110.9T85 L89T85-E87 PolarHBondContact O-N 2.88Å; E87-L89 PolarHBondContact O-N 2.72Å
88I81.1Confident66.6Low40 Ų4097.1 Ų97.121%0.20549%0.489CS..  trans-69.4110.5174.2-61172.8000108.2V107 D108 P124 I125 Y128I88-V107 HydrophobicContact CG2-CG1 3.27Å; I88-D108 WeakPolarHBondContact CA-O 3.16Å; I88-P124 WeakPolarHBondContact CD1-O 3.39Å; I88-I125 HydrophobicContact CD1-CG1 4.45Å; I88-Y128 HydrophobicContact CB-CD2 4.35Å; I88-Y128 HydrophobicContact CB-CE2 4.49Å; I88-Y128 HydrophobicContact CD1-CD2 3.85Å; I88-Y128 HydrophobicContact CD1-CG 3.93Å; I88-Y128 HydrophobicContact CG2-CD2 3.84Å; I88-Y128 HydrophobicContact CG2-CE2 3.67Å; I88-Y128 HydrophobicContact CG2-CG 4.39Å
89L82.3Confident68.1Low71 Ų7195.5 Ų95.537%0.37248%0.479SS..EExtended strand (participates in β ladder)trans-93.1129.7-179.7-64.4179.1000110.3T85 E87 V107 D108T85-L89 HydrophobicContact CG2-CD1 3.6Å; T85-L89 HydrophobicContact CG2-CG 3.99Å; E87-L89 PolarHBondContact O-N 2.72Å; L89-V107 CarbonylContact O-C 3.54Å; L89-V107 WeakPolarHBondContact O-CA 3.34Å; L89-D108 PolarHBondContact N-O 2.87Å; L89-D108 PolarHBondContact O-N 3.4Å
90K85.8Confident69.9Low99 Ų9990.2 Ų90.243%0.4346%0.457SS..EExtended strand (participates in β ladder)trans-100.9124.2171.8-51.5-167.3-159.1-139.80109.6I106 Y128K90-I106 CarbonylContact C-O 3.44Å; K90-I106 WeakPolarHBondContact CA-O 3.22Å; K90-Y128 HydrophobicContact CD-CE2 4.37Å; K90-Y128 WeakPolarHBondContact CD-OH 3.33Å; K90-Y128 VanDerWaalsContact CE-CE2 3.46Å; K90-Y128 WeakPolarHBondContact CE-OH 3.47Å; K90-Y128 HydrophobicContact CG-CE2 4.44Å; K90-Y128 WeakPolarHBondContact CG-OH 3.04Å; K90-Y128 PolarHBondContact NZ-OH 3.07Å
91H83.7Confident71.8Confident53 Ų5392 Ų9225%0.24546%0.464CS..EExtended strand (participates in β ladder)trans-117.9116.5173.1-66.7-69.3000109.5T105 I106H91-T105 CarbonylContact O-C 3.52Å; H91-T105 WeakPolarHBondContact O-CA 3.35Å; H91-I106 HydrophobicContact CB-CB 4.49Å; H91-I106 PolarHBondContact N-O 2.8Å; H91-I106 PolarHBondContact O-N 3.34Å
92T85.3Confident73.7Confident82 Ų8285.5 Ų85.550%0.50344%0.441SS..EExtended strand (participates in β ladder)trans-102.5133.5177-57.20000110.1K103 L104 T105T92-K103 HydrophobicContact CG2-CD 3.9Å; T92-K103 HydrophobicContact CG2-CG 3.53Å; T92-L104 CarbonylContact C-O 3.53Å; T92-L104 WeakPolarHBondContact CA-O 3.32Å; T92-T105 PolarHBondContact OG1-OG1 3.25Å
93V83.3Confident75.8Confident18 Ų1883 Ų8311%0.10943%0.425CS..EExtended strand (participates in β ladder)trans-131.8122-175.8-169.20000107.5L69 I95 L104 I106L69-V93 HydrophobicContact CD1-CG2 4.34Å; L69-V93 HydrophobicContact CD2-CB 4.37Å; L69-V93 HydrophobicContact CD2-CG1 4.23Å; L69-V93 HydrophobicContact CD2-CG2 3.23Å; L69-V93 HydrophobicContact CG-CG2 4.41Å; V93-I95 HydrophobicContact CG1-CD1 4.48Å; V93-I95 HydrophobicContact CG1-CG1 3.9Å; V93-L104 HydrophobicContact CB-CB 4.5Å; V93-L104 PolarHBondContact N-O 3.07Å; V93-L104 PolarHBondContact O-N 2.85Å; V93-I106 HydrophobicContact CG2-CD1 4.36Å
94D84.2Confident78Confident123 Ų12379.6 Ų79.666%0.65840%0.402SS*.EExtended strand (participates in β ladder)trans-90.4112.7171.6-65.9-37.8000108.5K103D94-K103 WeakPolarHBondContact OD1-CG 3.18Å
95I81.7Confident79.7Confident47 Ų4775.2 Ų75.224%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-104.6131.2178.8-56.3174.5000107.6F65 V93 L102 L104F65-I95 HydrophobicContact CD1-CD1 3.88Å; V93-I95 HydrophobicContact CG1-CD1 4.48Å; V93-I95 HydrophobicContact CG1-CG1 3.9Å; I95-L102 HydrophobicContact CB-CB 4.46Å; I95-L102 PolarHBondContact N-O 3.29Å; I95-L102 PolarHBondContact O-N 2.95Å; I95-L104 HydrophobicContact CD1-CB 4.23Å; I95-L104 HydrophobicContact CD1-CD2 3.9Å
96E80.6Confident81.4Confident127 Ų12774.1 Ų74.159%0.59338%0.375SS*.EExtended strand (participates in β ladder)trans-118.2117.2174.4-171.8172.3160.300109.8V100 K101E96-V100 WeakPolarHBondContact CA-O 3.39Å; E96-K101 HydrophobicContact CG-CG 4.22Å; E96-K101 WeakPolarHBondContact OE2-CE 3.32Å
97E74.4Confident82.8Confident121 Ų12168.7 Ų68.757%0.56534%0.342SS*.EExtended strand (participates in β ladder)trans-124.9122.9175.6-168.8179.4166.200110G99 V100E97-G99 PolarHBondContact O-N 3.41Å; E97-V100 PolarHBondContact N-O 3.27Å; E97-V100 WeakPolarHBondContact O-CB 3.36Å; E97-V100 PolarHBondContact O-N 2.87Å
98K77.8Confident83.5Confident200 Ų20062 Ų6287%0.8731%0.311SS*.THydrogen-bonded Turntrans50.133178.1-62.6175.1-177172.20114.2
99G73.9Confident83.6Confident37 Ų3760 Ų6038%0.38130%0.301SS..THydrogen-bonded Turntrans85.12.3-179.700000115.1V39 E97V39-G99 VanDerWaalsContact CG1-O 3.24Å; V39-G99 WeakPolarHBondContact CG1-O 3.2Å; E97-G99 PolarHBondContact O-N 3.41Å
100V81.5Confident83.3Confident48 Ų4858.3 Ų58.329%0.29129%0.294SS..EExtended strand (participates in β ladder)trans-92.7124.2169.8-177.50000108.7V39 F43 E96 E97V39-V100 HydrophobicContact CG2-CG2 4.38Å; F43-V100 HydrophobicContact CD2-CG1 3.59Å; F43-V100 HydrophobicContact CE2-CG1 3.6Å; E96-V100 WeakPolarHBondContact CA-O 3.39Å; E97-V100 PolarHBondContact N-O 3.27Å; E97-V100 WeakPolarHBondContact O-CB 3.36Å; E97-V100 PolarHBondContact O-N 2.87Å
101K84.5Confident82.6Confident124 Ų12454.4 Ų54.454%0.53928%0.282SS..EExtended strand (participates in β ladder)trans-92.6125173.9-61.5-171.3178.5-167.10110G42 F43 E96G42-K101 CarbonylContact C-O 3.55Å; G42-K101 WeakPolarHBondContact CA-O 3.47Å; F43-K101 PolarHBondContact N-O 3.27Å; E96-K101 HydrophobicContact CG-CG 4.22Å; E96-K101 WeakPolarHBondContact OE2-CE 3.32Å
102L85.3Confident82.2Confident25 Ų2552.5 Ų52.513%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-116.1115.8173.4176.469.2000108.2F43 F45 I95 L104 M292F43-L102 HydrophobicContact CB-CD1 3.76Å; F43-L102 CarbonylContact O-C 3.57Å; F43-L102 WeakPolarHBondContact O-CA 3.43Å; F45-L102 HydrophobicContact CB-CD1 3.97Å; I95-L102 HydrophobicContact CB-CB 4.46Å; I95-L102 PolarHBondContact N-O 3.29Å; I95-L102 PolarHBondContact O-N 2.95Å; L102-L104 PolarHBondContact O-N 3.02Å; L102-M292 HydrophobicContact CD1-CE 4.1Å; L102-M292 HydrophobicContact CD1-SD 3.84Å; L102-M292 HydrophobicContact CD2-SD 4.11Å
103K87.9Confident81.4Confident72 Ų7249.9 Ų49.931%0.31326%0.262SS..EExtended strand (participates in β ladder)trans-86.5107.1166.4-179.1179.9-66.2175.80108.3F43 D44 F45 T92 D94F43-K103 PolarHBondContact O-N 3.09Å; D44-K103 WeakPolarHBondContact CA-O 3.49Å; D44-K103 WeakPolarHBondContact OD1-CB 3.44Å; F45-K103 PolarHBondContact N-O 3.48Å; T92-K103 HydrophobicContact CG2-CD 3.9Å; T92-K103 HydrophobicContact CG2-CG 3.53Å; D94-K103 WeakPolarHBondContact OD1-CG 3.18Å
104L87.5Confident80.9Confident0 Ų053.5 Ų53.50%028%0.281CS..EExtended strand (participates in β ladder)trans-98120.3177.417573.5000109.5F45 F65 T92 V93 I95 L102 I106F45-L104 HydrophobicContact CB-CD1 4.49Å; F45-L104 HydrophobicContact CD1-CD1 3.67Å; F45-L104 HydrophobicContact CE1-CD1 4.49Å; F45-L104 CarbonylContact O-C 3.59Å; F45-L104 WeakPolarHBondContact O-CA 3.45Å; F65-L104 HydrophobicContact CB-CD2 4.43Å; F65-L104 HydrophobicContact CD1-CD2 3.32Å; F65-L104 HydrophobicContact CD2-CD2 3.57Å; F65-L104 HydrophobicContact CE1-CD1 4.08Å; F65-L104 HydrophobicContact CE1-CD2 3.26Å; F65-L104 HydrophobicContact CE1-CG 4.29Å; F65-L104 HydrophobicContact CE2-CD1 4.42Å; F65-L104 HydrophobicContact CE2-CD2 3.52Å; F65-L104 HydrophobicContact CG-CD2 3.47Å; F65-L104 VanDerWaalsContact CG-CD2 3.47Å; F65-L104 HydrophobicContact CZ-CD1 3.8Å; F65-L104 HydrophobicContact CZ-CD2 3.35Å; F65-L104 HydrophobicContact CZ-CG 4.2Å; T92-L104 CarbonylContact C-O 3.53Å; T92-L104 WeakPolarHBondContact CA-O 3.32Å; V93-L104 HydrophobicContact CB-CB 4.5Å; V93-L104 PolarHBondContact N-O 3.07Å; V93-L104 PolarHBondContact O-N 2.85Å; I95-L104 HydrophobicContact CD1-CB 4.23Å; I95-L104 HydrophobicContact CD1-CD2 3.9Å; L102-L104 PolarHBondContact O-N 3.02Å; L104-I106 HydrophobicContact CD2-CD1 3.82Å; L104-I106 HydrophobicContact CD2-CG1 4.02Å; L104-I106 HydrophobicContact CG-CD1 4.32Å; L104-I106 HydrophobicContact CG-CG1 4.07Å
105T89.7Confident80.4Confident9 Ų950.2 Ų50.26%0.05527%0.271CS..EExtended strand (participates in β ladder)trans-105116.4170.1-610000109.5F45 T46 L47 H91 T92 V107F45-T105 PolarHBondContact O-N 2.82Å; T46-T105 CarbonylContact C-O 3.56Å; T46-T105 WeakPolarHBondContact CA-O 3.28Å; T46-T105 HydrophobicContact CG2-CG2 4.12Å; L47-T105 PolarHBondContact N-O 3.48Å; H91-T105 CarbonylContact O-C 3.52Å; H91-T105 WeakPolarHBondContact O-CA 3.35Å; T92-T105 PolarHBondContact OG1-OG1 3.25Å; T105-V107 HydrophobicContact CG2-CG2 4.35Å
106I88.5Confident80Confident3 Ų355.6 Ų55.62%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-97126.8173.7-62146.1000108.5L47 V61 F65 L69 K90 H91 V93 L104L47-I106 CarbonylContact O-C 3.48Å; L47-I106 WeakPolarHBondContact O-CA 3.35Å; V61-I106 HydrophobicContact CG1-CB 4.44Å; V61-I106 HydrophobicContact CG1-CD1 3.55Å; V61-I106 HydrophobicContact CG1-CG1 4.13Å; V61-I106 HydrophobicContact CG1-CG2 3.79Å; V61-I106 HydrophobicContact CG2-CG2 4.11Å; F65-I106 HydrophobicContact CD2-CD1 3.92Å; F65-I106 HydrophobicContact CE2-CD1 4.18Å; F65-I106 HydrophobicContact CE2-CG1 4.29Å; L69-I106 HydrophobicContact CD1-CD1 3.51Å; K90-I106 CarbonylContact C-O 3.44Å; K90-I106 WeakPolarHBondContact CA-O 3.22Å; H91-I106 HydrophobicContact CB-CB 4.49Å; H91-I106 PolarHBondContact N-O 2.8Å; H91-I106 PolarHBondContact O-N 3.34Å; V93-I106 HydrophobicContact CG2-CD1 4.36Å; L104-I106 HydrophobicContact CD2-CD1 3.82Å; L104-I106 HydrophobicContact CD2-CG1 4.02Å; L104-I106 HydrophobicContact CG-CD1 4.32Å; L104-I106 HydrophobicContact CG-CG1 4.07Å
107V89.4Confident79.8Confident0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-106.5102.5175.6-174.90000107.7T46 L47 M48 V49 I88 L89 T105 Y128T46-V107 HydrophobicContact CG2-CG2 3.84Å; L47-V107 PolarHBondContact O-N 2.83Å; M48-V107 WeakPolarHBondContact CA-O 3.34Å; M48-V107 HydrophobicContact CB-CB 4.24Å; M48-V107 HydrophobicContact CE-CB 4.38Å; M48-V107 HydrophobicContact CE-CG1 3.75Å; M48-V107 HydrophobicContact CG-CB 4.34Å; M48-V107 HydrophobicContact CG-CG1 4.44Å; V49-V107 PolarHBondContact N-O 2.97Å; I88-V107 HydrophobicContact CG2-CG1 3.27Å; L89-V107 CarbonylContact O-C 3.54Å; L89-V107 WeakPolarHBondContact O-CA 3.34Å; T105-V107 HydrophobicContact CG2-CG2 4.35Å; V107-Y128 HydrophobicContact CG1-CE1 3.83Å; V107-Y128 HydrophobicContact CG1-CE2 4.35Å; V107-Y128 HydrophobicContact CG2-CE1 4.15Å; V107-Y128 VanDerWaalsContact CG2-OH 3.25Å; V107-Y128 WeakPolarHBondContact CG2-OH 3.18Å
108D85.6Confident79.9Confident2 Ų250.8 Ų50.81%0.01129%0.288CS..EExtended strand (participates in β ladder)trans-86.4126.5174.3-159.63.7000108.6S58 I88 L89S58-D108 PolarHBondContact OG-OD2 3.44Å; I88-D108 WeakPolarHBondContact CA-O 3.16Å; L89-D108 PolarHBondContact N-O 2.87Å; L89-D108 PolarHBondContact O-N 3.4Å
109T82.7Confident79.8Confident0 Ų045.7 Ų45.70%027%0.274CS..  trans-104.1148.9-178.864.10000110.6M48 V49 A50 G111 I125M48-T109 HydrophobicContact CE-CG2 4.18Å; M48-T109 HydrophobicContact CG-CG2 3.96Å; M48-T109 HydrophobicContact SD-CG2 4.24Å; V49-T109 WeakPolarHBondContact O-CB 3.27Å; V49-T109 PolarHBondContact O-N 3.03Å; V49-T109 PolarHBondContact O-OG1 3.04Å; A50-T109 WeakPolarHBondContact CA-OG1 3.43Å; T109-G111 PolarHBondContact O-N 3.46Å; T109-I125 HydrophobicContact CG2-CD1 3.76Å; T109-I125 HydrophobicContact CG2-CG1 3.83Å
110P76.6Confident80Confident34 Ų3448.5 Ų48.522%0.22128%0.277CS..  trans-45.1137.1168.34-17.2000111.3T85 F112T85-P110 WeakPolarHBondContact O-CA 3.3Å; T85-P110 WeakPolarHBondContact O-CB 3.38Å; P110-F112 PolarHBondContact O-N 2.96Å
111G70Confident80Confident18 Ų1847.5 Ų47.519%0.18627%0.272CS..  trans-62.5119.3163.800000109.6K57 T109K57-G111 VanDerWaalsContact NZ-CA 3.28Å; T109-G111 PolarHBondContact O-N 3.46Å
112F75.2Confident80.1Confident13 Ų1344.9 Ų44.96%0.05726%0.258CS..BIsolated β-bridgetrans-83.6169.216654.8-93.8000110.1G51 E52 S53 P110 C121 Y158 V170 F174G51-F112 VanDerWaalsContact C-CE1 3.45Å; E52-F112 VanDerWaalsContact CA-O 3.22Å; E52-F112 WeakPolarHBondContact CA-O 3.41Å; E52-F112 HydrophobicContact CG-CD2 4.1Å; E52-F112 HydrophobicContact CG-CE2 3.98Å; E52-F112 WeakPolarHBondContact CG-O 3.4Å; S53-F112 PolarHBondContact N-O 3.21Å; P110-F112 PolarHBondContact O-N 2.96Å; F112-C121 HydrophobicContact CB-CB 3.81Å; F112-Y158 HydrophobicContact CE1-CE2 4.26Å; F112-Y158 WeakPolarHBondContact CE2-OH 3.45Å; F112-Y158 AromaticContact CZ-CE2 3.7Å; F112-Y158 HydrophobicContact CZ-CE2 3.7Å; F112-Y158 AromaticContact CZ-CZ 3.77Å; F112-Y158 WeakPolarHBondContact CZ-OH 3.24Å; F112-V170 HydrophobicContact CD2-CG1 4Å; F112-V170 HydrophobicContact CE2-CG1 4.22Å; F112-F174 HydrophobicContact CD1-CD2 4.09Å; F112-F174 AromaticContact CD1-CE2 3.78Å; F112-F174 HydrophobicContact CD1-CE2 3.78Å; F112-F174 AromaticContact CE1-CD2 3.75Å; F112-F174 HydrophobicContact CE1-CD2 3.75Å; F112-F174 AromaticContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CG 4.39Å; F112-F174 HydrophobicContact CE1-CZ 4Å; F112-F174 HydrophobicContact CZ-CD2 4.01Å; F112-F174 HydrophobicContact CZ-CE2 4.25Å; F112-F174 HydrophobicContact CZ-CG 4.33Å
113G68.5Low80.2Confident26 Ų2647.8 Ų47.827%0.26827%0.27SS..SBendtrans94.1-10.3179.300000115.1N118G113-N118 WeakPolarHBondContact CA-OD1 3.36Å; G113-N118 PolarHBondContact N-OD1 3Å; G113-N118 VanDerWaalsContact N-OD1 3.11Å
114D72.8Confident80.1Confident95 Ų9547.9 Ų47.951%0.50828%0.278SS..  trans-80.2-23.4177-69.1-13.5000112.4S53 Q84S53-D114 WeakPolarHBondContact CB-OD1 3.36Å; S53-D114 WeakPolarHBondContact CB-OD2 3.25Å; S53-D114 PolarHBondContact OG-OD2 2.53Å; Q84-D114 PolarHBondContact NE2-OD2 3.04Å
115A73.7Confident80.2Confident54 Ų5448 Ų4845%0.44628%0.279SS..SBendtrans-81.7148.6179.400000111.7N117 N118A115-N117 VanDerWaalsContact C-N 3.26Å; A115-N117 PolarHBondContact O-N 3.49Å; A115-N118 PolarHBondContact O-ND2 3.33Å
116V74.7Confident80.2Confident159 Ų15948.3 Ų48.396%0.96428%0.281SS*.SBendtrans-62.6-38.4173.2178.60000110.8
117N76.5Confident80.3Confident109 Ų10952.1 Ų52.158%0.58330%0.301SS*.  trans-109.4108.4174-171.110.5000110.1A115 T119A115-N117 VanDerWaalsContact C-N 3.26Å; A115-N117 PolarHBondContact O-N 3.49Å; N117-T119 VanDerWaalsContact CG-OG1 3.27Å; N117-T119 PolarHBondContact ND2-OG1 2.97Å; N117-T119 WeakPolarHBondContact OD1-CB 3.26Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.45Å; N117-T119 PolarHBondContact OD1-N 2.78Å; N117-T119 PolarHBondContact OD1-OG1 2.98Å
118N75.7Confident80.4Confident38 Ų3852.9 Ų52.920%0.20330%0.304CS..  trans-101.518.1175.3-63.2-69.2000112.3G113 A115 E120 C121G113-N118 WeakPolarHBondContact CA-OD1 3.36Å; G113-N118 PolarHBondContact N-OD1 3Å; G113-N118 VanDerWaalsContact N-OD1 3.11Å; A115-N118 PolarHBondContact O-ND2 3.33Å; N118-E120 PolarHBondContact O-N 3.09Å; N118-E120 VanDerWaalsContact O-N 3.11Å; N118-C121 PolarHBondContact O-N 3.03Å
119T75.7Confident80.7Confident94 Ų9452.9 Ų52.958%0.57730%0.304SS*.THydrogen-bonded Turntrans-56.9121.4173.153.30000108.9N117 C121N117-T119 VanDerWaalsContact CG-OG1 3.27Å; N117-T119 PolarHBondContact ND2-OG1 2.97Å; N117-T119 WeakPolarHBondContact OD1-CB 3.26Å; N117-T119 WeakPolarHBondContact OD1-CG2 3.45Å; N117-T119 PolarHBondContact OD1-N 2.78Å; N117-T119 PolarHBondContact OD1-OG1 2.98Å; T119-C121 PolarHBondContact O-N 2.8Å
120E78.8Confident81.2Confident95 Ų9554.6 Ų54.644%0.44431%0.313SS..THydrogen-bonded Turntrans69.127.1173.9-45.5179.9130.700115.8N118 W122 K123N118-E120 PolarHBondContact O-N 3.09Å; N118-E120 VanDerWaalsContact O-N 3.11Å; E120-W122 HydrophobicContact CG-CZ2 4.41Å; E120-W122 PolarHBondContact O-N 3.17Å; E120-K123 HydrophobicContact CB-CD 3.75Å; E120-K123 HydrophobicContact CB-CG 3.97Å; E120-K123 HydrophobicContact CG-CD 4.41Å; E120-K123 WeakPolarHBondContact O-CB 3.49Å; E120-K123 PolarHBondContact O-N 3.35Å; E120-K123 WeakPolarHBondContact OE1-CE 3.16Å; E120-K123 IonicContact OE1-NZ 2.96Å; E120-K123 PolarHBondContact OE1-NZ 3.14Å; E120-K123 VanDerWaalsContact OE2-CE 3.25Å; E120-K123 WeakPolarHBondContact OE2-CE 3.47Å; E120-K123 IonicContact OE2-NZ 2.77Å; E120-K123 PolarHBondContact OE2-NZ 3.17Å
121C81.6Confident81.9Confident27 Ų2758.3 Ų58.318%0.18233%0.327CS..THydrogen-bonded Turntrans-58.2-19.2175.6640000114.4F112 N118 T119F112-C121 HydrophobicContact CB-CB 3.81Å; N118-C121 PolarHBondContact O-N 3.03Å; T119-C121 PolarHBondContact O-N 2.8Å
122W85.3Confident83Confident69 Ų6958.3 Ų58.326%0.26132%0.322SS..THydrogen-bonded Turntrans-79.1-14.5176.556.885.5000114E120 I125 T126 F174 A177E120-W122 HydrophobicContact CG-CZ2 4.41Å; E120-W122 PolarHBondContact O-N 3.17Å; W122-I125 PolarHBondContact O-N 3.21Å; W122-T126 WeakPolarHBondContact O-CB 3.22Å; W122-T126 PolarHBondContact O-N 3.15Å; W122-T126 PolarHBondContact O-OG1 3.29Å; W122-F174 HydrophobicContact CB-CD2 3.58Å; W122-F174 HydrophobicContact CB-CE2 3.85Å; W122-F174 HydrophobicContact CB-CG 4.07Å; W122-A177 HydrophobicContact CB-CB 4.26Å; W122-A177 HydrophobicContact CD2-CB 4.33Å; W122-A177 HydrophobicContact CG-CB 3.71Å
123K87.4Confident83.8Confident87 Ų8757.8 Ų57.838%0.37832%0.32SS..Hα-helixtrans-56.9-52.2-176.6-82.3-177.91761770113.3E120 I125 T126 D127E120-K123 HydrophobicContact CB-CD 3.75Å; E120-K123 HydrophobicContact CB-CG 3.97Å; E120-K123 HydrophobicContact CG-CD 4.41Å; E120-K123 WeakPolarHBondContact O-CB 3.49Å; E120-K123 PolarHBondContact O-N 3.35Å; E120-K123 WeakPolarHBondContact OE1-CE 3.16Å; E120-K123 IonicContact OE1-NZ 2.96Å; E120-K123 PolarHBondContact OE1-NZ 3.14Å; E120-K123 VanDerWaalsContact OE2-CE 3.25Å; E120-K123 WeakPolarHBondContact OE2-CE 3.47Å; E120-K123 IonicContact OE2-NZ 2.77Å; E120-K123 PolarHBondContact OE2-NZ 3.17Å; K123-I125 PolarHBondContact O-N 3.36Å; K123-I125 VanDerWaalsContact O-N 3.13Å; K123-T126 WeakPolarHBondContact O-CB 3.39Å; K123-T126 PolarHBondContact O-N 2.91Å; K123-T126 VanDerWaalsContact O-N 3.09Å; K123-D127 WeakPolarHBondContact O-CB 3.16Å; K123-D127 PolarHBondContact O-N 3.15Å
124P87.1Confident84.9Confident73 Ų7360.1 Ų60.147%0.47432%0.324SS..Hα-helixtrans-58.6-33-179.8-24.735.1000113.4I88 Y128I88-P124 WeakPolarHBondContact CD1-O 3.39Å; P124-Y128 VanDerWaalsContact O-CB 3.26Å; P124-Y128 WeakPolarHBondContact O-CB 3.05Å; P124-Y128 PolarHBondContact O-N 2.65Å
125I88.9Confident85.7Confident4 Ų459.5 Ų59.52%0.02132%0.318CS..Hα-helixtrans-77.2-40.4-179.9-66.7171000110.5M48 I88 T109 W122 K123 Y128 V129 F174M48-I125 HydrophobicContact CE-CG2 4Å; M48-I125 HydrophobicContact SD-CG2 3.55Å; M48-I125 VanDerWaalsContact SD-CG2 3.55Å; I88-I125 HydrophobicContact CD1-CG1 4.45Å; T109-I125 HydrophobicContact CG2-CD1 3.76Å; T109-I125 HydrophobicContact CG2-CG1 3.83Å; W122-I125 PolarHBondContact O-N 3.21Å; K123-I125 PolarHBondContact O-N 3.36Å; K123-I125 VanDerWaalsContact O-N 3.13Å; I125-Y128 WeakPolarHBondContact O-CB 3.24Å; I125-Y128 PolarHBondContact O-N 2.77Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.87Å; I125-V129 VanDerWaalsContact O-N 3.07Å; I125-F174 HydrophobicContact CB-CZ 4.29Å; I125-F174 HydrophobicContact CD1-CE2 3.66Å; I125-F174 HydrophobicContact CD1-CZ 3.44Å; I125-F174 VanDerWaalsContact CD1-CZ 3.44Å; I125-F174 HydrophobicContact CG1-CZ 4.44Å; I125-F174 HydrophobicContact CG2-CZ 4.1Å
126T90.1Very high86.5Confident15 Ų1559.1 Ų59.19%0.09231%0.306CS..Hα-helixtrans-63.2-47.8174.6-55.60000110.7W122 K123 Y128 V129 D130 K181W122-T126 WeakPolarHBondContact O-CB 3.22Å; W122-T126 PolarHBondContact O-N 3.15Å; W122-T126 PolarHBondContact O-OG1 3.29Å; K123-T126 WeakPolarHBondContact O-CB 3.39Å; K123-T126 PolarHBondContact O-N 2.91Å; K123-T126 VanDerWaalsContact O-N 3.09Å; T126-Y128 VanDerWaalsContact C-N 3.3Å; T126-Y128 PolarHBondContact O-N 2.66Å; T126-V129 PolarHBondContact O-N 3.35Å; T126-D130 PolarHBondContact O-N 3.44Å; T126-K181 HydrophobicContact CG2-CD 4Å
127D90.3Very high87.2Confident83 Ų8352.6 Ų52.644%0.44426%0.264SS..Hα-helixtrans-61.8-39.2177.7-64.9-17.7000111K123 D130 Q131K123-D127 WeakPolarHBondContact O-CB 3.16Å; K123-D127 PolarHBondContact O-N 3.15Å; D127-D130 PolarHBondContact O-N 2.97Å; D127-Q131 WeakPolarHBondContact O-CB 3.44Å; D127-Q131 WeakPolarHBondContact O-CG 3.25Å; D127-Q131 PolarHBondContact O-N 3.5Å
128Y91.7Very high87.7Confident16 Ų1654.2 Ų54.26%0.06326%0.262CS..Hα-helixtrans-61.4-45.9175.1177.2-84.2000112.3M48 I88 K90 V107 P124 I125 T126 Q131 Q132 V153M48-Y128 HydrophobicContact CE-CD1 3.49Å; M48-Y128 VanDerWaalsContact CE-CD1 3.49Å; M48-Y128 HydrophobicContact CE-CE1 3.82Å; M48-Y128 HydrophobicContact CE-CG 4.36Å; I88-Y128 HydrophobicContact CB-CD2 4.35Å; I88-Y128 HydrophobicContact CB-CE2 4.49Å; I88-Y128 HydrophobicContact CD1-CD2 3.85Å; I88-Y128 HydrophobicContact CD1-CG 3.93Å; I88-Y128 HydrophobicContact CG2-CD2 3.84Å; I88-Y128 HydrophobicContact CG2-CE2 3.67Å; I88-Y128 HydrophobicContact CG2-CG 4.39Å; K90-Y128 HydrophobicContact CD-CE2 4.37Å; K90-Y128 WeakPolarHBondContact CD-OH 3.33Å; K90-Y128 VanDerWaalsContact CE-CE2 3.46Å; K90-Y128 WeakPolarHBondContact CE-OH 3.47Å; K90-Y128 HydrophobicContact CG-CE2 4.44Å; K90-Y128 WeakPolarHBondContact CG-OH 3.04Å; K90-Y128 PolarHBondContact NZ-OH 3.07Å; V107-Y128 HydrophobicContact CG1-CE1 3.83Å; V107-Y128 HydrophobicContact CG1-CE2 4.35Å; V107-Y128 HydrophobicContact CG2-CE1 4.15Å; V107-Y128 VanDerWaalsContact CG2-OH 3.25Å; V107-Y128 WeakPolarHBondContact CG2-OH 3.18Å; P124-Y128 VanDerWaalsContact O-CB 3.26Å; P124-Y128 WeakPolarHBondContact O-CB 3.05Å; P124-Y128 PolarHBondContact O-N 2.65Å; I125-Y128 WeakPolarHBondContact O-CB 3.24Å; I125-Y128 PolarHBondContact O-N 2.77Å; T126-Y128 VanDerWaalsContact C-N 3.3Å; T126-Y128 PolarHBondContact O-N 2.66Å; Y128-Q131 PolarHBondContact O-N 2.89Å; Y128-Q132 HydrophobicContact CD1-CG 4.14Å; Y128-Q132 HydrophobicContact CE1-CG 3.75Å; Y128-Q132 VanDerWaalsContact O-CG 3.31Å; Y128-Q132 WeakPolarHBondContact O-CG 3.09Å; Y128-Q132 PolarHBondContact O-N 3.33Å; Y128-Q132 PolarHBondContact O-NE2 3.17Å; Y128-V153 HydrophobicContact CD1-CG2 4.45Å; Y128-V153 HydrophobicContact CE1-CG2 4.04Å
129V92.2Very high88.2Confident1 Ų155.1 Ų55.11%0.00627%0.267CS..Hα-helixtrans-63.4-45.9178.3171.40000110.1M48 I125 T126 Q131 Q132 F133 V153 L178 K181 V182M48-V129 HydrophobicContact CE-CG2 4.11Å; M48-V129 HydrophobicContact SD-CG2 4.38Å; I125-V129 WeakPolarHBondContact O-CG2 3.41Å; I125-V129 PolarHBondContact O-N 2.87Å; I125-V129 VanDerWaalsContact O-N 3.07Å; T126-V129 PolarHBondContact O-N 3.35Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.18Å; V129-Q132 PolarHBondContact O-N 2.87Å; V129-Q132 VanDerWaalsContact O-N 3.08Å; V129-F133 HydrophobicContact CG1-CD2 3.91Å; V129-F133 HydrophobicContact CG1-CE2 3.5Å; V129-F133 HydrophobicContact CG1-CZ 4.09Å; V129-F133 PolarHBondContact O-N 3.46Å; V129-V153 HydrophobicContact CG2-CB 4.5Å; V129-V153 HydrophobicContact CG2-CG2 4.14Å; V129-L178 HydrophobicContact CG2-CD1 4.31Å; V129-K181 HydrophobicContact CG1-CB 4.04Å; V129-V182 HydrophobicContact CB-CG2 4.37Å; V129-V182 HydrophobicContact CG1-CG2 3.64Å; V129-V182 HydrophobicContact CG2-CG2 3.78Å
130D92.1Very high88.7Confident36 Ų3653.3 Ų53.319%0.19325%0.252CS..Hα-helixtrans-60.3-42176.6-71.4-18.2000111.7T126 D127 Q132 F133 E134 K181T126-D130 PolarHBondContact O-N 3.44Å; D127-D130 PolarHBondContact O-N 2.97Å; D130-Q132 VanDerWaalsContact C-N 3.31Å; D130-Q132 PolarHBondContact O-N 2.98Å; D130-F133 PolarHBondContact O-N 2.93Å; D130-E134 WeakPolarHBondContact O-CB 3.4Å; D130-E134 PolarHBondContact O-N 2.98Å; D130-K181 WeakPolarHBondContact OD1-CD 3.36Å; D130-K181 WeakPolarHBondContact OD1-CE 3.22Å; D130-K181 IonicContact OD1-NZ 2.88Å; D130-K181 PolarHBondContact OD1-NZ 3.01Å; D130-K181 IonicContact OD2-NZ 3.94Å; D130-K181 PolarHBondContact OD2-NZ 3.37Å
131Q92.4Very high88.9Confident113 Ų11352 Ų5253%0.52825%0.253SS..Hα-helixtrans-61.3-37.4174.5-75.617020.500112.3D127 Y128 V129 Q135D127-Q131 WeakPolarHBondContact O-CB 3.44Å; D127-Q131 WeakPolarHBondContact O-CG 3.25Å; D127-Q131 PolarHBondContact O-N 3.5Å; Y128-Q131 PolarHBondContact O-N 2.89Å; V129-Q131 VanDerWaalsContact C-N 3.33Å; V129-Q131 PolarHBondContact O-N 3.18Å; Q131-Q135 WeakPolarHBondContact O-CB 3.37Å; Q131-Q135 PolarHBondContact O-N 3.28Å
132Q92.4Very high88.8Confident17 Ų1752 Ų528%0.07926%0.259CS..Hα-helixtrans-68.6-39.8176.3-58.3-34-78.500111.2Y128 V129 D130 Y136 N151Y128-Q132 HydrophobicContact CD1-CG 4.14Å; Y128-Q132 HydrophobicContact CE1-CG 3.75Å; Y128-Q132 VanDerWaalsContact O-CG 3.31Å; Y128-Q132 WeakPolarHBondContact O-CG 3.09Å; Y128-Q132 PolarHBondContact O-N 3.33Å; Y128-Q132 PolarHBondContact O-NE2 3.17Å; V129-Q132 PolarHBondContact O-N 2.87Å; V129-Q132 VanDerWaalsContact O-N 3.08Å; D130-Q132 VanDerWaalsContact C-N 3.31Å; D130-Q132 PolarHBondContact O-N 2.98Å; Q132-Y136 WeakPolarHBondContact O-CB 3.17Å; Q132-Y136 PolarHBondContact O-N 3.46Å; Q132-N151 WeakPolarHBondContact CG-O 3.14Å
133F92.2Very high88.4Confident2 Ų256.8 Ų56.81%0.00929%0.288CS..Hα-helixtrans-67.2-40.3174.8-69.7-36.9000112.6V129 D130 Y136 F137 R152 K181 T299 H303 Y304 Y307V129-F133 HydrophobicContact CG1-CD2 3.91Å; V129-F133 HydrophobicContact CG1-CE2 3.5Å; V129-F133 HydrophobicContact CG1-CZ 4.09Å; V129-F133 PolarHBondContact O-N 3.46Å; D130-F133 PolarHBondContact O-N 2.93Å; F133-Y136 PolarHBondContact O-N 3.47Å; F133-F137 VanDerWaalsContact O-CB 3.3Å; F133-F137 WeakPolarHBondContact O-CB 3.33Å; F133-F137 PolarHBondContact O-N 3.3Å; F133-R152 HydrophobicContact CD1-CB 4.28Å; F133-R152 HydrophobicContact CD1-CG 3.79Å; F133-R152 HydrophobicContact CE1-CB 4.03Å; F133-R152 HydrophobicContact CE1-CG 4.01Å; F133-K181 HydrophobicContact CE2-CB 4.29Å; F133-K181 WeakPolarHBondContact CE2-O 3.4Å; F133-K181 VanDerWaalsContact CZ-O 3.27Å; F133-K181 WeakPolarHBondContact CZ-O 3.23Å; F133-T299 HydrophobicContact CE1-CG2 4.39Å; F133-H303 HydrophobicContact CZ-CB 4.15Å; F133-Y304 AromaticContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CG-CD2 4.49Å; F133-Y307 HydrophobicContact CB-CD1 3.58Å; F133-Y307 HydrophobicContact CB-CD2 4.31Å; F133-Y307 HydrophobicContact CB-CE1 3.64Å; F133-Y307 HydrophobicContact CB-CE2 4.37Å; F133-Y307 HydrophobicContact CB-CG 3.92Å; F133-Y307 HydrophobicContact CD2-CD2 4.22Å; F133-Y307 HydrophobicContact CD2-CG 4.12Å; F133-Y307 HydrophobicContact CG-CD1 4.36Å; F133-Y307 HydrophobicContact CG-CG 4.3Å
134E90.6Very high87.6Confident75 Ų7559.7 Ų59.735%0.3531%0.308SS..Hα-helixtrans-63.2-44.7175.7-169.9-179.2-175.900111.5D130 Y136 F137 R138D130-E134 WeakPolarHBondContact O-CB 3.4Å; D130-E134 PolarHBondContact O-N 2.98Å; E134-Y136 VanDerWaalsContact C-N 3.34Å; E134-Y136 PolarHBondContact O-N 3.38Å; E134-F137 PolarHBondContact O-N 2.92Å; E134-R138 WeakPolarHBondContact O-CG 3.37Å; E134-R138 PolarHBondContact O-N 2.87Å; E134-R138 IonicContact OE1-CZ 3.59Å; E134-R138 IonicContact OE1-NE 3.3Å; E134-R138 PolarHBondContact OE1-NE 3.25Å; E134-R138 IonicContact OE1-NH2 3.02Å; E134-R138 PolarHBondContact OE1-NH2 3.14Å; E134-R138 IonicContact OE2-NH2 3.97Å
135Q89.7Confident87.1Confident83 Ų8364.3 Ų64.339%0.38832%0.316SS..Hα-helixtrans-59.6-46.7176.4-177.657.942.500110.9Q131 F137 R138 D139Q131-Q135 WeakPolarHBondContact O-CB 3.37Å; Q131-Q135 PolarHBondContact O-N 3.28Å; Q135-F137 PolarHBondContact O-N 3.04Å; Q135-R138 PolarHBondContact O-N 2.99Å; Q135-D139 VanDerWaalsContact NE2-CG 3.35Å; Q135-D139 PolarHBondContact NE2-OD1 3.1Å; Q135-D139 VanDerWaalsContact NE2-OD1 3.12Å; Q135-D139 PolarHBondContact NE2-OD2 3.48Å; Q135-D139 VanDerWaalsContact O-CG 3.29Å; Q135-D139 PolarHBondContact O-N 3.27Å
136Y90.5Very high86.3Confident46 Ų4674.1 Ų74.118%0.1836%0.358CS..Hα-helixtrans-62.3-42.4177.4-169.5-84.9000112Q132 F133 E134 R138 D139 E140 I148 D150 R152 Y304Q132-Y136 WeakPolarHBondContact O-CB 3.17Å; Q132-Y136 PolarHBondContact O-N 3.46Å; F133-Y136 PolarHBondContact O-N 3.47Å; E134-Y136 VanDerWaalsContact C-N 3.34Å; E134-Y136 PolarHBondContact O-N 3.38Å; Y136-R138 VanDerWaalsContact C-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.04Å; Y136-D139 PolarHBondContact O-N 2.91Å; Y136-E140 WeakPolarHBondContact O-CB 3.37Å; Y136-E140 PolarHBondContact O-N 2.99Å; Y136-I148 HydrophobicContact CD2-CG2 3.91Å; Y136-I148 HydrophobicContact CE2-CG2 3.67Å; Y136-D150 HydrophobicContact CE2-CB 4.43Å; Y136-R152 HydrophobicContact CD2-CG 4.11Å; Y136-R152 HydrophobicContact CG-CG 4.12Å; Y136-Y304 HydrophobicContact CD1-CD2 4.21Å; Y136-Y304 AromaticContact CD1-CE1 3.98Å; Y136-Y304 HydrophobicContact CD1-CE1 3.98Å; Y136-Y304 AromaticContact CD1-CE2 3.53Å; Y136-Y304 HydrophobicContact CD1-CE2 3.53Å; Y136-Y304 AromaticContact CD1-CZ 3.41Å; Y136-Y304 VanDerWaalsContact CD1-CZ 3.41Å; Y136-Y304 WeakPolarHBondContact CD1-OH 3.33Å; Y136-Y304 HydrophobicContact CE1-CD1 4.46Å; Y136-Y304 AromaticContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE2 4.25Å; Y136-Y304 AromaticContact CE1-CZ 3.78Å; Y136-Y304 HydrophobicContact CG-CE2 4.37Å
137F89.1Confident85.5Confident21 Ų2179.9 Ų79.99%0.09239%0.388CS..Hα-helixtrans-63-39177.3178.2-99.9000112.7F133 E134 Q135 S141 Y304 R308 I312 M315F133-F137 VanDerWaalsContact O-CB 3.3Å; F133-F137 WeakPolarHBondContact O-CB 3.33Å; F133-F137 PolarHBondContact O-N 3.3Å; E134-F137 PolarHBondContact O-N 2.92Å; Q135-F137 PolarHBondContact O-N 3.04Å; F137-S141 VanDerWaalsContact O-CB 3.27Å; F137-S141 WeakPolarHBondContact O-CB 3.03Å; F137-S141 PolarHBondContact O-N 3.32Å; F137-S141 PolarHBondContact O-OG 3.04Å; F137-Y304 WeakPolarHBondContact CA-OH 3.31Å; F137-Y304 HydrophobicContact CB-CE2 4.36Å; F137-R308 HydrophobicContact CD2-CG 4.07Å; F137-R308 HydrophobicContact CE2-CG 3.92Å; F137-I312 HydrophobicContact CE2-CG1 4.47Å; F137-I312 HydrophobicContact CZ-CG1 4.49Å; F137-M315 HydrophobicContact CE1-CE 3.83Å; F137-M315 HydrophobicContact CE1-SD 4.37Å; F137-M315 HydrophobicContact CZ-CE 4.49Å; F137-M315 HydrophobicContact CZ-SD 4.48Å
138R87Confident85Confident143 Ų14377.9 Ų77.954%0.5438%0.377SS..Hα-helixtrans-65.5-42.9173.9-71.9176.4-174.1-166.44.4111.5E134 Q135 Y136 S141 G142E134-R138 WeakPolarHBondContact O-CG 3.37Å; E134-R138 PolarHBondContact O-N 2.87Å; E134-R138 IonicContact OE1-CZ 3.59Å; E134-R138 IonicContact OE1-NE 3.3Å; E134-R138 PolarHBondContact OE1-NE 3.25Å; E134-R138 IonicContact OE1-NH2 3.02Å; E134-R138 PolarHBondContact OE1-NH2 3.14Å; E134-R138 IonicContact OE2-NH2 3.97Å; Q135-R138 PolarHBondContact O-N 2.99Å; Y136-R138 VanDerWaalsContact C-N 3.35Å; Y136-R138 PolarHBondContact O-N 3.04Å; R138-S141 PolarHBondContact O-N 3.11Å; R138-G142 PolarHBondContact O-N 3.29Å
139D87Confident84.4Confident58 Ų5882.2 Ų82.231%0.3140%0.398SS..Hα-helixtrans-69.1-34.8179.6-68.3-25.2000112.2Q135 Y136 I148Q135-D139 VanDerWaalsContact NE2-CG 3.35Å; Q135-D139 PolarHBondContact NE2-OD1 3.1Å; Q135-D139 VanDerWaalsContact NE2-OD1 3.12Å; Q135-D139 PolarHBondContact NE2-OD2 3.48Å; Q135-D139 VanDerWaalsContact O-CG 3.29Å; Q135-D139 PolarHBondContact O-N 3.27Å; Y136-D139 PolarHBondContact O-N 2.91Å; D139-I148 HydrophobicContact CB-CG1 4.41Å; D139-I148 HydrophobicContact CB-CG2 4.13Å
140E85.9Confident84.1Confident55 Ų5582.8 Ų82.826%0.25740%0.401SS..Hα-helixtrans-68.3-43.5172.8-171.5-174.6-172.400112Y136 G142 R145 I148 Y304Y136-E140 WeakPolarHBondContact O-CB 3.37Å; Y136-E140 PolarHBondContact O-N 2.99Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.11Å; E140-R145 PolarHBondContact O-NE 2.88Å; E140-I148 HydrophobicContact CB-CD1 4.47Å; E140-Y304 PolarHBondContact OE2-OH 2.89Å
141S84Confident83.9Confident68 Ų6883.9 Ų83.948%0.47641%0.407SS..Hα-helixtrans-70-25.5177.6-61.30000112.5F137 R138F137-S141 VanDerWaalsContact O-CB 3.27Å; F137-S141 WeakPolarHBondContact O-CB 3.03Å; F137-S141 PolarHBondContact O-N 3.32Å; F137-S141 PolarHBondContact O-OG 3.04Å; R138-S141 PolarHBondContact O-N 3.11Å
142G79.6Confident83.9Confident28 Ų2878.7 Ų78.729%0.28938%0.383SS..SBendtrans-64.8171.7179.800000114.6R138 E140 R145R138-G142 PolarHBondContact O-N 3.29Å; E140-G142 VanDerWaalsContact C-N 3.26Å; E140-G142 PolarHBondContact O-N 3.11Å; G142-R145 PolarHBondContact O-NE 2.86Å
143L75.6Confident83.9Confident168 Ų16877.9 Ų77.988%0.8838%0.379SS*.SBendtrans-75.2-28.3-178.3-62.6172000112.7R145L143-R145 PolarHBondContact O-N 3.32Å
144N71Confident83.9Confident148 Ų14877.8 Ų77.879%0.79138%0.379SS*.  trans-9861.8-172.7-77.3-21.8000113.6K146N144-K146 PolarHBondContact O-N 3.46Å; N144-K146 VanDerWaalsContact O-N 3.11Å
145R77.7Confident84Confident170 Ų17074.2 Ų74.264%0.64236%0.362SS*.G310 helixtrans-69-7.9-177.3-58.5-178.2-177.1171.41.7115.8E140 G142 L143 I148E140-R145 PolarHBondContact O-NE 2.88Å; G142-R145 PolarHBondContact O-NE 2.86Å; L143-R145 PolarHBondContact O-N 3.32Å; R145-I148 HydrophobicContact CB-CD1 4.46Å
146K71.2Confident84.2Confident211 Ų21170.3 Ų70.392%0.91734%0.343SS*.G310 helixtrans-77.7-22.3-170.4-69-174.8-1801770114.2N144N144-K146 PolarHBondContact O-N 3.46Å; N144-K146 VanDerWaalsContact O-N 3.11Å
147N73.3Confident84.3Confident135 Ų13568.1 Ų68.172%0.72234%0.335SS*.G310 helixtrans-136.347.9-173.4-163.455.3000112.1Q149N147-Q149 PolarHBondContact O-N 3Å
148I79.7Confident84.5Confident42 Ų4267.1 Ų67.122%0.21533%0.331CS..  trans-70.5125.7174.7-56.8171.2000108.1Y136 D139 E140 R145Y136-I148 HydrophobicContact CD2-CG2 3.91Å; Y136-I148 HydrophobicContact CE2-CG2 3.67Å; D139-I148 HydrophobicContact CB-CG1 4.41Å; D139-I148 HydrophobicContact CB-CG2 4.13Å; E140-I148 HydrophobicContact CB-CD1 4.47Å; R145-I148 HydrophobicContact CB-CD1 4.46Å
149Q79.5Confident84.8Confident107 Ų10760.5 Ų60.550%0.531%0.306SS..  trans-89.6127.8172.8-67.8-174.9-18.200109.2N147 N151N147-Q149 PolarHBondContact O-N 3Å; Q149-N151 PolarHBondContact O-N 3.14Å
150D86.2Confident85.1Confident12 Ų1257.8 Ų57.86%0.06429%0.291CS..  trans-87.896.8-178.7-163-4.4000110.6D44 Y136 R152 H154 K296D44-D150 HydrophobicContact CB-CB 4.4Å; Y136-D150 HydrophobicContact CE2-CB 4.43Å; D150-R152 WeakPolarHBondContact OD1-CB 3.44Å; D150-R152 WeakPolarHBondContact OD1-CG 3.42Å; D150-R152 IonicContact OD1-CZ 2.81Å; D150-R152 PolarHBondContact OD1-N 2.97Å; D150-R152 IonicContact OD1-NE 3.33Å; D150-R152 PolarHBondContact OD1-NE 2.75Å; D150-R152 IonicContact OD1-NH2 3.72Å; D150-R152 PolarHBondContact OD1-NH2 3.19Å; D150-R152 IonicContact OD2-CZ 3.95Å; D150-R152 IonicContact OD2-NE 3.36Å; D150-R152 IonicContact OD2-NH2 2.66Å; D150-R152 PolarHBondContact OD2-NH2 3.03Å; D150-H154 IonicContact OD2-CE1 3.7Å; D150-H154 IonicContact OD2-NE2 3.55Å; D150-H154 PolarHBondContact OD2-NE2 2.83Å; D150-K296 VanDerWaalsContact OD2-CE 3.26Å; D150-K296 WeakPolarHBondContact OD2-CE 3.36Å; D150-K296 IonicContact OD2-NZ 2.81Å; D150-K296 PolarHBondContact OD2-NZ 3.48Å
151N86.7Confident85.3Confident60 Ų6055.5 Ų55.532%0.32128%0.281SS..  trans-98.99.2176-65.5-51.6000112.7Q132 Q149Q132-N151 WeakPolarHBondContact CG-O 3.14Å; Q149-N151 PolarHBondContact O-N 3.14Å
152R92.3Very high85.5Confident4 Ų452.4 Ų52.42%0.01526%0.26CS..SBendtrans-68.8143.2-179.1-62.8175.3-66172.46.8109.8T46 F133 Y136 D150 H154 C300T46-R152 WeakPolarHBondContact CB-O 3.43Å; T46-R152 PolarHBondContact OG1-O 2.81Å; F133-R152 HydrophobicContact CD1-CB 4.28Å; F133-R152 HydrophobicContact CD1-CG 3.79Å; F133-R152 HydrophobicContact CE1-CB 4.03Å; F133-R152 HydrophobicContact CE1-CG 4.01Å; Y136-R152 HydrophobicContact CD2-CG 4.11Å; Y136-R152 HydrophobicContact CG-CG 4.12Å; D150-R152 WeakPolarHBondContact OD1-CB 3.44Å; D150-R152 WeakPolarHBondContact OD1-CG 3.42Å; D150-R152 IonicContact OD1-CZ 2.81Å; D150-R152 PolarHBondContact OD1-N 2.97Å; D150-R152 IonicContact OD1-NE 3.33Å; D150-R152 PolarHBondContact OD1-NE 2.75Å; D150-R152 IonicContact OD1-NH2 3.72Å; D150-R152 PolarHBondContact OD1-NH2 3.19Å; D150-R152 IonicContact OD2-CZ 3.95Å; D150-R152 IonicContact OD2-NE 3.36Å; D150-R152 IonicContact OD2-NH2 2.66Å; D150-R152 PolarHBondContact OD2-NH2 3.03Å; R152-H154 PolarHBondContact O-CE1 2.94Å; R152-H154 VanDerWaalsContact O-CE1 3.27Å; R152-H154 PolarHBondContact O-N 3.11Å; R152-H154 PolarHBondContact O-ND1 2.48Å; R152-C300 PolarHBondContact NH2-SG 3.33Å
153V93.2Very high85.7Confident0 Ų058.2 Ų58.20%028%0.277CS..  trans-75113.6177.6-178.30000108.6T46 M48 Y128 V129 V182T46-V153 HydrophobicContact CG2-CG2 4.4Å; M48-V153 HydrophobicContact CB-CG1 3.44Å; M48-V153 VanDerWaalsContact CB-CG1 3.44Å; M48-V153 HydrophobicContact CB-CG2 4.48Å; M48-V153 HydrophobicContact CE-CG2 4.03Å; M48-V153 HydrophobicContact SD-CG1 4.42Å; Y128-V153 HydrophobicContact CD1-CG2 4.45Å; Y128-V153 HydrophobicContact CE1-CG2 4.04Å; V129-V153 HydrophobicContact CG2-CB 4.5Å; V129-V153 HydrophobicContact CG2-CG2 4.14Å; V153-V182 HydrophobicContact CB-CG1 4.36Å; V153-V182 HydrophobicContact CB-CG2 4.33Å; V153-V182 HydrophobicContact CG1-CG1 3.72Å; V153-V182 HydrophobicContact CG1-CG2 4.37Å
154H92.1Very high85.6Confident0 Ų051.1 Ų51.10%024%0.244CC..  trans-85.3-32.4-175.2-60.188000112.1F45 T46 D150 R152 N183 T299F45-H154 HydrophobicContact CD2-CB 3.88Å; F45-H154 HydrophobicContact CE2-CB 3.65Å; F45-H154 HydrophobicContact CZ-CB 4.41Å; T46-H154 PolarHBondContact N-ND1 3.36Å; T46-H154 PolarHBondContact O-N 2.94Å; D150-H154 IonicContact OD2-CE1 3.7Å; D150-H154 IonicContact OD2-NE2 3.55Å; D150-H154 PolarHBondContact OD2-NE2 2.83Å; R152-H154 PolarHBondContact O-CE1 2.94Å; R152-H154 VanDerWaalsContact O-CE1 3.27Å; R152-H154 PolarHBondContact O-N 3.11Å; R152-H154 PolarHBondContact O-ND1 2.48Å; H154-N183 PolarHBondContact O-ND2 3.38Å; H154-T299 WeakPolarHBondContact CA-OG1 2.9Å; H154-T299 PolarHBondContact O-OG1 2.9Å
155C92.7Very high86.2Confident0 Ų051.7 Ų51.70%024%0.242CC..EExtended strand (participates in β ladder)trans-148.8136.4-179.1178.50000110.2F45 T46 L47 M48 L295F45-C155 HydrophobicContact CZ-CB 4.01Å; T46-C155 PolarHBondContact O-N 2.87Å; L47-C155 HydrophobicContact CD1-CB 3.91Å; M48-C155 PolarHBondContact N-O 2.67Å; C155-L295 HydrophobicContact CB-CD1 4.12Å; C155-L295 HydrophobicContact CB-CD2 4.24Å
156C93.5Very high86.5Confident0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-110.2115.3170.3-173.70000110M48 Y158 L178 V182 N183 V185M48-C156 HydrophobicContact CB-CB 4.46Å; M48-C156 CarbonylContact O-C 3.6Å; M48-C156 WeakPolarHBondContact O-CA 3.19Å; C156-Y158 PolarHBondContact O-N 3.29Å; C156-L178 HydrophobicContact CB-CD2 3.93Å; C156-L178 VanDerWaalsContact SG-CD2 3.52Å; C156-V182 HydrophobicContact CB-CB 4.45Å; C156-V182 HydrophobicContact CB-CG1 3.7Å; C156-N183 PolarHBondContact N-O 3.12Å; C156-V185 PolarHBondContact O-N 3.36Å
157L93.3Very high87.4Confident1 Ų134.6 Ų34.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-81.1112.4168.7-59.3-175.4000108.8L47 M48 V49 A50 L64 F159 V185 L187 L283 L287L47-L157 HydrophobicContact CD1-CD1 4.07Å; L47-L157 HydrophobicContact CD1-CD2 4.25Å; L47-L157 HydrophobicContact CD1-CG 3.77Å; L47-L157 HydrophobicContact CD2-CD1 3.86Å; L47-L157 HydrophobicContact CD2-CG 4.44Å; L47-L157 HydrophobicContact CG-CD1 4.25Å; L47-L157 HydrophobicContact CG-CG 4.29Å; M48-L157 PolarHBondContact O-N 3.31Å; V49-L157 HydrophobicContact CG2-CB 4.32Å; V49-L157 HydrophobicContact CG2-CD1 4.36Å; A50-L157 PolarHBondContact N-O 3.06Å; A50-L157 VanDerWaalsContact O-O 3.14Å; L64-L157 HydrophobicContact CD1-CD1 4.14Å; L157-F159 HydrophobicContact CB-CE2 3.98Å; L157-V185 HydrophobicContact CD2-CB 3.89Å; L157-V185 HydrophobicContact CD2-CG1 4.21Å; L157-L187 HydrophobicContact CB-CD1 3.85Å; L157-L187 HydrophobicContact CD1-CD1 4.06Å; L157-L187 HydrophobicContact CD2-CD1 4.15Å; L157-L187 HydrophobicContact CG-CD1 4.23Å; L157-L283 HydrophobicContact CD2-CD1 4.33Å; L157-L287 HydrophobicContact CD1-CD1 4.1Å; L157-L287 HydrophobicContact CD2-CD1 4.17Å; L157-L287 HydrophobicContact CD2-CD2 4.22Å
158Y93.4Very high88.1Confident0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-99.4113.3179.9-168.8-93.6000110.9A50 F112 C156 I160 D171 F174 M175 V185 L187A50-Y158 HydrophobicContact CB-CD2 4.17Å; A50-Y158 WeakPolarHBondContact O-CA 3.37Å; F112-Y158 HydrophobicContact CE1-CE2 4.26Å; F112-Y158 WeakPolarHBondContact CE2-OH 3.45Å; F112-Y158 AromaticContact CZ-CE2 3.7Å; F112-Y158 HydrophobicContact CZ-CE2 3.7Å; F112-Y158 AromaticContact CZ-CZ 3.77Å; F112-Y158 WeakPolarHBondContact CZ-OH 3.24Å; C156-Y158 PolarHBondContact O-N 3.29Å; Y158-I160 HydrophobicContact CD1-CG1 3.81Å; Y158-I160 HydrophobicContact CE1-CG1 4.02Å; Y158-I160 PolarHBondContact O-N 3.08Å; Y158-D171 HydrophobicContact CE1-CB 3.98Å; Y158-D171 WeakPolarHBondContact OH-CA 3.35Å; Y158-D171 WeakPolarHBondContact OH-CB 3.3Å; Y158-D171 PolarHBondContact OH-OD1 3.39Å; Y158-F174 AromaticContact CD2-CD1 3.77Å; Y158-F174 HydrophobicContact CD2-CD1 3.77Å; Y158-F174 AromaticContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CE2-CB 4.13Å; Y158-F174 AromaticContact CE2-CD1 3.23Å; Y158-F174 HydrophobicContact CE2-CD1 3.23Å; Y158-F174 AromaticContact CE2-CE1 3.68Å; Y158-F174 HydrophobicContact CE2-CE1 3.68Å; Y158-F174 AromaticContact CE2-CG 3.73Å; Y158-F174 HydrophobicContact CE2-CG 3.73Å; Y158-M175 HydrophobicContact CD1-CG 4.05Å; Y158-M175 HydrophobicContact CD1-SD 4.01Å; Y158-M175 HydrophobicContact CD2-CG 4.39Å; Y158-M175 HydrophobicContact CE1-CG 4.08Å; Y158-M175 HydrophobicContact CE1-SD 4.15Å; Y158-M175 HydrophobicContact CE2-CG 4.41Å; Y158-M175 HydrophobicContact CG-CG 4.21Å; Y158-V185 PolarHBondContact N-O 3.03Å; Y158-L187 PolarHBondContact O-N 2.84Å
159F93.1Very high88.5Confident3 Ų334.7 Ų34.71%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-87.6111.7-177.9-71.3-116.8000110.2V49 A50 L55 K57 L60 L157 L187 A189V49-F159 HydrophobicContact CB-CE2 4.4Å; V49-F159 HydrophobicContact CG1-CD2 3.94Å; V49-F159 HydrophobicContact CG1-CE2 3.36Å; V49-F159 HydrophobicContact CG1-CZ 4.05Å; V49-F159 HydrophobicContact CG2-CE2 4.43Å; A50-F159 WeakPolarHBondContact O-CD2 3.44Å; A50-F159 PolarHBondContact O-N 3.31Å; L55-F159 HydrophobicContact CB-CB 4.31Å; L55-F159 HydrophobicContact CB-CD1 4.48Å; L55-F159 HydrophobicContact CD1-CB 3.75Å; L55-F159 VanDerWaalsContact CD1-O 3.24Å; L55-F159 WeakPolarHBondContact CD1-O 3.43Å; K57-F159 HydrophobicContact CB-CZ 4.5Å; K57-F159 HydrophobicContact CD-CD2 4.5Å; K57-F159 HydrophobicContact CG-CD1 4.22Å; K57-F159 HydrophobicContact CG-CD2 4.03Å; K57-F159 HydrophobicContact CG-CE1 4.39Å; K57-F159 HydrophobicContact CG-CE2 4.25Å; K57-F159 HydrophobicContact CG-CG 4.01Å; K57-F159 HydrophobicContact CG-CZ 4.38Å; L60-F159 HydrophobicContact CB-CE1 3.91Å; L60-F159 HydrophobicContact CB-CZ 3.78Å; L60-F159 HydrophobicContact CD2-CE1 3.61Å; L60-F159 HydrophobicContact CD2-CE2 4.26Å; L60-F159 HydrophobicContact CD2-CZ 3.27Å; L60-F159 HydrophobicContact CG-CE1 4.34Å; L60-F159 HydrophobicContact CG-CZ 4.12Å; L157-F159 HydrophobicContact CB-CE2 3.98Å; F159-L187 HydrophobicContact CE2-CD1 4.13Å; F159-L187 HydrophobicContact CZ-CD1 4.25Å; F159-A189 HydrophobicContact CB-CB 4.36Å; F159-A189 HydrophobicContact CD1-CB 3.93Å
160I92.2Very high88.9Confident2 Ų231.6 Ų31.61%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-88.5133.5173.6-57.1169.1000108.3Y158 L167 P186 L187 A189 I206Y158-I160 HydrophobicContact CD1-CG1 3.81Å; Y158-I160 HydrophobicContact CE1-CG1 4.02Å; Y158-I160 PolarHBondContact O-N 3.08Å; I160-L167 HydrophobicContact CD1-CD2 3.68Å; I160-L167 HydrophobicContact CG1-CD2 4.13Å; I160-L167 HydrophobicContact CG2-CD2 4.21Å; I160-P186 HydrophobicContact CD1-CB 3.82Å; I160-L187 PolarHBondContact N-O 3.08Å; I160-A189 WeakPolarHBondContact O-CB 3.16Å; I160-A189 PolarHBondContact O-N 3.31Å; I160-I206 HydrophobicContact CD1-CD1 4.07Å; I160-I206 HydrophobicContact CD1-CG2 4.02Å; I160-I206 HydrophobicContact CG2-CD1 4.11Å
161S90.3Very high89Confident6 Ų631.1 Ų31.14%0.04216%0.164CC..  trans-66.9134.4176.4179.50000111.3F163 R168S161-F163 PolarHBondContact O-N 2.88Å; S161-F163 WeakPolarHBondContact OG-CD2 3.36Å; S161-F163 PolarHBondContact OG-N 3.12Å; S161-R168 VanDerWaalsContact CB-NH2 3.28Å
162P88.7Confident89.2Confident4 Ų428.8 Ų28.83%0.02615%0.152CC..THydrogen-bonded Turntrans-74.5-12178.933.1-37.7000113G164 I188 A189 K190 L194P162-G164 VanDerWaalsContact C-N 3.26Å; P162-G164 PolarHBondContact O-N 3.48Å; P162-I188 HydrophobicContact CB-CG2 4.32Å; P162-A189 WeakPolarHBondContact CB-O 3.45Å; P162-A189 WeakPolarHBondContact CD-O 3.43Å; P162-A189 VanDerWaalsContact CG-O 3.26Å; P162-A189 WeakPolarHBondContact CG-O 3.41Å; P162-K190 HydrophobicContact CG-CB 4.22Å; P162-L194 HydrophobicContact CB-CD1 3.82Å; P162-L194 HydrophobicContact CB-CG 4.13Å
163F83.7Confident89Confident149 Ų14929.5 Ų29.565%0.65416%0.161SC*.THydrogen-bonded Turntrans-81.5-6.6-176.1-55.5-66.4000113.2S161S161-F163 PolarHBondContact O-N 2.88Å; S161-F163 WeakPolarHBondContact OG-CD2 3.36Å; S161-F163 PolarHBondContact OG-N 3.12Å
164G73.3Confident88.9Confident19 Ų1929.6 Ų29.620%0.19616%0.161CC..  trans-79.3151.1179.700000113P162 L202P162-G164 VanDerWaalsContact C-N 3.26Å; P162-G164 PolarHBondContact O-N 3.48Å; G164-L202 WeakPolarHBondContact O-CD1 3.5Å
165H83.6Confident88.8Confident160 Ų16029.6 Ų29.674%0.74116%0.161SC*.SBendtrans-80.1-9.4164.6-67-45.8000113R205H165-R205 WeakPolarHBondContact O-CD 3.49Å; H165-R205 PolarHBondContact O-NH1 3.25Å
166G84.9Confident88.8Confident9 Ų933.9 Ų33.99%0.09318%0.179CC..SBendtrans-176-166-176.600000109.1
167L89.1Confident88.6Confident14 Ų1435 Ų357%0.07319%0.189CC..  trans-68.7132.4171.1-63.4175.8000110.2I160 V172 M175 I206 E209 I210I160-L167 HydrophobicContact CD1-CD2 3.68Å; I160-L167 HydrophobicContact CG1-CD2 4.13Å; I160-L167 HydrophobicContact CG2-CD2 4.21Å; L167-V172 HydrophobicContact CB-CG2 3.83Å; L167-V172 HydrophobicContact CD1-CG2 4.34Å; L167-M175 HydrophobicContact CD2-SD 4.46Å; L167-I206 HydrophobicContact CD2-CG1 4.26Å; L167-I206 HydrophobicContact CD2-CG2 4.09Å; L167-I206 HydrophobicContact CG-CG1 4.39Å; L167-I206 HydrophobicContact CG-CG2 4.33Å; L167-E209 WeakPolarHBondContact CA-OE2 3.2Å; L167-E209 WeakPolarHBondContact CB-OE2 3.46Å; L167-E209 HydrophobicContact CD1-CB 4.06Å; L167-E209 HydrophobicContact CG-CB 4.43Å; L167-E209 PolarHBondContact N-OE2 3.31Å; L167-I210 HydrophobicContact CD1-CG1 3.92Å
168R88.4Confident88.5Confident64 Ų6435 Ų3524%0.24219%0.189CC..  trans-77.3156174.3-64.4172.3-65.9-162.7-4.2110.2E52 S161 V170 D171 V172E52-R168 IonicContact OE1-CZ 3.63Å; E52-R168 IonicContact OE1-NE 2.94Å; E52-R168 IonicContact OE1-NH1 2.74Å; E52-R168 PolarHBondContact OE1-NH1 3.06Å; E52-R168 IonicContact OE1-NH2 2.72Å; E52-R168 PolarHBondContact OE1-NH2 2.94Å; E52-R168 IonicContact OE2-CZ 3.36Å; E52-R168 IonicContact OE2-NH1 2.61Å; E52-R168 PolarHBondContact OE2-NH1 2.61Å; E52-R168 IonicContact OE2-NH2 3.3Å; E52-R168 PolarHBondContact OE2-NH2 3.38Å; S161-R168 VanDerWaalsContact CB-NH2 3.28Å; R168-V170 PolarHBondContact O-N 3.11Å; R168-V170 VanDerWaalsContact O-N 3.12Å; R168-D171 WeakPolarHBondContact CB-OD2 3.4Å; R168-D171 IonicContact CZ-OD2 2.67Å; R168-D171 PolarHBondContact N-OD2 2.9Å; R168-D171 IonicContact NE-OD2 2.75Å; R168-D171 PolarHBondContact NE-OD2 3.3Å; R168-D171 IonicContact NH2-OD1 3.34Å; R168-D171 IonicContact NH2-OD2 2.77Å; R168-D171 PolarHBondContact NH2-OD2 3.33Å; R168-D171 WeakPolarHBondContact O-CA 3.42Å; R168-D171 WeakPolarHBondContact O-CB 3.26Å; R168-D171 PolarHBondContact O-N 3.01Å; R168-V172 WeakPolarHBondContact O-CG2 3.23Å; R168-V172 PolarHBondContact O-N 2.83Å
169P87.7Confident88.3Confident115 Ų11536.1 Ų36.175%0.74719%0.194SC*.Hα-helixtrans-54.7-33.8176.8-27.735.6000114V172 G173P169-V172 PolarHBondContact O-N 2.96Å; P169-G173 PolarHBondContact O-N 3.11Å
170V87.7Confident88.1Confident42 Ų4242.3 Ų42.326%0.25522%0.223SC..Hα-helixtrans-64.5-43.9174.5-179.30000110.8F112 R168 G173 F174F112-V170 HydrophobicContact CD2-CG1 4Å; F112-V170 HydrophobicContact CE2-CG1 4.22Å; R168-V170 PolarHBondContact O-N 3.11Å; R168-V170 VanDerWaalsContact O-N 3.12Å; V170-G173 PolarHBondContact O-N 3.48Å; V170-F174 WeakPolarHBondContact O-CB 3.47Å; V170-F174 PolarHBondContact O-N 2.74Å
171D89.7Confident88Confident1 Ų144.5 Ų44.51%0.00523%0.233CC..Hα-helixtrans-64.7-41.9178.5-60.1-53.7000111.4Y158 R168 F174 M175Y158-D171 HydrophobicContact CE1-CB 3.98Å; Y158-D171 WeakPolarHBondContact OH-CA 3.35Å; Y158-D171 WeakPolarHBondContact OH-CB 3.3Å; Y158-D171 PolarHBondContact OH-OD1 3.39Å; R168-D171 WeakPolarHBondContact CB-OD2 3.4Å; R168-D171 IonicContact CZ-OD2 2.67Å; R168-D171 PolarHBondContact N-OD2 2.9Å; R168-D171 IonicContact NE-OD2 2.75Å; R168-D171 PolarHBondContact NE-OD2 3.3Å; R168-D171 IonicContact NH2-OD1 3.34Å; R168-D171 IonicContact NH2-OD2 2.77Å; R168-D171 PolarHBondContact NH2-OD2 3.33Å; R168-D171 WeakPolarHBondContact O-CA 3.42Å; R168-D171 WeakPolarHBondContact O-CB 3.26Å; R168-D171 PolarHBondContact O-N 3.01Å; D171-F174 PolarHBondContact O-N 3.46Å; D171-M175 WeakPolarHBondContact O-CB 3.46Å; D171-M175 VanDerWaalsContact O-CG 3.32Å; D171-M175 WeakPolarHBondContact O-CG 3.4Å; D171-M175 PolarHBondContact O-N 2.8Å
172V90.2Very high88.1Confident11 Ų1144.2 Ų44.27%0.06723%0.231CC..Hα-helixtrans-61.4-46.8175.1175.80000111.1L167 R168 P169 F174 K176 F213 I215L167-V172 HydrophobicContact CB-CG2 3.83Å; L167-V172 HydrophobicContact CD1-CG2 4.34Å; R168-V172 WeakPolarHBondContact O-CG2 3.23Å; R168-V172 PolarHBondContact O-N 2.83Å; P169-V172 PolarHBondContact O-N 2.96Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 3.47Å; V172-K176 HydrophobicContact CG1-CD 4.11Å; V172-K176 HydrophobicContact CG1-CG 4.42Å; V172-K176 VanDerWaalsContact O-CB 3.23Å; V172-K176 WeakPolarHBondContact O-CB 3.43Å; V172-K176 VanDerWaalsContact O-CG 3.22Å; V172-K176 WeakPolarHBondContact O-CG 3.43Å; V172-K176 PolarHBondContact O-N 2.91Å; V172-F213 HydrophobicContact CB-CD2 4.47Å; V172-F213 HydrophobicContact CG1-CB 4.2Å; V172-F213 HydrophobicContact CG1-CD1 3.76Å; V172-F213 HydrophobicContact CG1-CD2 3.84Å; V172-F213 HydrophobicContact CG1-CE1 4.05Å; V172-F213 HydrophobicContact CG1-CE2 4.16Å; V172-F213 HydrophobicContact CG1-CG 3.66Å; V172-F213 HydrophobicContact CG1-CZ 4.26Å; V172-F213 HydrophobicContact CG2-CD2 3.7Å; V172-F213 HydrophobicContact CG2-CE2 3.58Å; V172-F213 HydrophobicContact CG2-CG 4.4Å; V172-F213 HydrophobicContact CG2-CZ 4.14Å; V172-I215 HydrophobicContact CG1-CD1 4.35Å
173G88.7Confident88.3Confident20 Ų2044.3 Ų44.321%0.20623%0.231CC..Hα-helixtrans-61.4-41.9177.700000112.6P169 V170 K176 A177P169-G173 PolarHBondContact O-N 3.11Å; V170-G173 PolarHBondContact O-N 3.48Å; G173-K176 PolarHBondContact O-N 3.18Å; G173-A177 PolarHBondContact O-N 3.2Å; G173-A177 VanDerWaalsContact O-N 3.11Å
174F89.9Confident88.8Confident1 Ų137.2 Ų37.20%0.00420%0.2CC..Hα-helixtrans-65.3-51.6178.6-165.4-74.4000112.2A50 F112 W122 I125 Y158 V170 D171 V172 K176 A177 L178A50-F174 HydrophobicContact CB-CE1 3.83Å; A50-F174 HydrophobicContact CB-CZ 3.77Å; F112-F174 HydrophobicContact CD1-CD2 4.09Å; F112-F174 AromaticContact CD1-CE2 3.78Å; F112-F174 HydrophobicContact CD1-CE2 3.78Å; F112-F174 AromaticContact CE1-CD2 3.75Å; F112-F174 HydrophobicContact CE1-CD2 3.75Å; F112-F174 AromaticContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CE2 3.54Å; F112-F174 HydrophobicContact CE1-CG 4.39Å; F112-F174 HydrophobicContact CE1-CZ 4Å; F112-F174 HydrophobicContact CZ-CD2 4.01Å; F112-F174 HydrophobicContact CZ-CE2 4.25Å; F112-F174 HydrophobicContact CZ-CG 4.33Å; W122-F174 HydrophobicContact CB-CD2 3.58Å; W122-F174 HydrophobicContact CB-CE2 3.85Å; W122-F174 HydrophobicContact CB-CG 4.07Å; I125-F174 HydrophobicContact CB-CZ 4.29Å; I125-F174 HydrophobicContact CD1-CE2 3.66Å; I125-F174 HydrophobicContact CD1-CZ 3.44Å; I125-F174 VanDerWaalsContact CD1-CZ 3.44Å; I125-F174 HydrophobicContact CG1-CZ 4.44Å; I125-F174 HydrophobicContact CG2-CZ 4.1Å; Y158-F174 AromaticContact CD2-CD1 3.77Å; Y158-F174 HydrophobicContact CD2-CD1 3.77Å; Y158-F174 AromaticContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CD2-CE1 3.91Å; Y158-F174 HydrophobicContact CE2-CB 4.13Å; Y158-F174 AromaticContact CE2-CD1 3.23Å; Y158-F174 HydrophobicContact CE2-CD1 3.23Å; Y158-F174 AromaticContact CE2-CE1 3.68Å; Y158-F174 HydrophobicContact CE2-CE1 3.68Å; Y158-F174 AromaticContact CE2-CG 3.73Å; Y158-F174 HydrophobicContact CE2-CG 3.73Å; V170-F174 WeakPolarHBondContact O-CB 3.47Å; V170-F174 PolarHBondContact O-N 2.74Å; D171-F174 PolarHBondContact O-N 3.46Å; V172-F174 VanDerWaalsContact C-N 3.33Å; V172-F174 PolarHBondContact O-N 3.47Å; F174-K176 VanDerWaalsContact C-N 3.27Å; F174-K176 PolarHBondContact O-N 2.93Å; F174-A177 PolarHBondContact O-N 3.07Å; F174-L178 HydrophobicContact CD1-CD2 4.48Å; F174-L178 HydrophobicContact CE1-CD2 3.81Å; F174-L178 PolarHBondContact O-N 3.39Å; F174-L178 VanDerWaalsContact O-N 3.12Å
175M91.4Very high89.7Confident0 Ų036.6 Ų36.60%019%0.192CC..Hα-helixtrans-64.2-34.4178.7-67.7178.879.100111.4Y158 L167 D171 A177 L178 H179 I184 P186 I210 I215 V217Y158-M175 HydrophobicContact CD1-CG 4.05Å; Y158-M175 HydrophobicContact CD1-SD 4.01Å; Y158-M175 HydrophobicContact CD2-CG 4.39Å; Y158-M175 HydrophobicContact CE1-CG 4.08Å; Y158-M175 HydrophobicContact CE1-SD 4.15Å; Y158-M175 HydrophobicContact CE2-CG 4.41Å; Y158-M175 HydrophobicContact CG-CG 4.21Å; L167-M175 HydrophobicContact CD2-SD 4.46Å; D171-M175 WeakPolarHBondContact O-CB 3.46Å; D171-M175 VanDerWaalsContact O-CG 3.32Å; D171-M175 WeakPolarHBondContact O-CG 3.4Å; D171-M175 PolarHBondContact O-N 2.8Å; M175-A177 VanDerWaalsContact C-N 3.35Å; M175-A177 PolarHBondContact O-N 3.4Å; M175-L178 PolarHBondContact O-N 2.87Å; M175-H179 WeakPolarHBondContact O-CB 3.34Å; M175-H179 PolarHBondContact O-N 3.21Å; M175-H179 PolarHBondContact O-ND1 3.4Å; M175-I184 HydrophobicContact CB-CD1 4.3Å; M175-I184 HydrophobicContact CE-CG2 3.99Å; M175-P186 HydrophobicContact CE-CB 4.41Å; M175-I210 HydrophobicContact CE-CD1 4.44Å; M175-I215 HydrophobicContact CB-CD1 4.01Å; M175-I215 HydrophobicContact CB-CG2 3.85Å; M175-I215 HydrophobicContact CE-CG2 3.91Å; M175-V217 HydrophobicContact CE-CG1 3.77Å
176K91.6Very high90.1Very high90 Ų9029.5 Ų29.539%0.39116%0.16SC..Hα-helixtrans-62.3-38.6173.6-81.7-172.8177.9-160.60113.3V172 G173 F174 H179 F213 I215V172-K176 HydrophobicContact CG1-CD 4.11Å; V172-K176 HydrophobicContact CG1-CG 4.42Å; V172-K176 VanDerWaalsContact O-CB 3.23Å; V172-K176 WeakPolarHBondContact O-CB 3.43Å; V172-K176 VanDerWaalsContact O-CG 3.22Å; V172-K176 WeakPolarHBondContact O-CG 3.43Å; V172-K176 PolarHBondContact O-N 2.91Å; G173-K176 PolarHBondContact O-N 3.18Å; F174-K176 VanDerWaalsContact C-N 3.27Å; F174-K176 PolarHBondContact O-N 2.93Å; K176-H179 VanDerWaalsContact CA-ND1 3.28Å; K176-H179 WeakPolarHBondContact CA-ND1 3.41Å; K176-H179 PolarHBondContact O-CE1 3.17Å; K176-H179 PolarHBondContact O-ND1 2.78Å; K176-F213 WeakPolarHBondContact CE-O 3.43Å; K176-F213 PolarHBondContact NZ-O 3.45Å; K176-I215 HydrophobicContact CG-CD1 4.42Å; K176-I215 HydrophobicContact CG-CG1 3.96Å
177A89.5Confident90.5Very high25 Ų2529 Ų2921%0.20716%0.156CC..Hα-helixtrans-75.3-29.4178.500000113.1W122 G173 F174 M175W122-A177 HydrophobicContact CB-CB 4.26Å; W122-A177 HydrophobicContact CD2-CB 4.33Å; W122-A177 HydrophobicContact CG-CB 3.71Å; G173-A177 PolarHBondContact O-N 3.2Å; G173-A177 VanDerWaalsContact O-N 3.11Å; F174-A177 PolarHBondContact O-N 3.07Å; M175-A177 VanDerWaalsContact C-N 3.35Å; M175-A177 PolarHBondContact O-N 3.4Å
178L91Very high90.7Very high1 Ų128.4 Ų28.41%0.00515%0.152CC..Hα-helixtrans-95.6-27.1-170.9-171.564.4000114.2V129 C156 F174 M175 E180 K181 V182 I184V129-L178 HydrophobicContact CG2-CD1 4.31Å; C156-L178 HydrophobicContact CB-CD2 3.93Å; C156-L178 VanDerWaalsContact SG-CD2 3.52Å; F174-L178 HydrophobicContact CD1-CD2 4.48Å; F174-L178 HydrophobicContact CE1-CD2 3.81Å; F174-L178 PolarHBondContact O-N 3.39Å; F174-L178 VanDerWaalsContact O-N 3.12Å; M175-L178 PolarHBondContact O-N 2.87Å; L178-E180 VanDerWaalsContact C-N 3.25Å; L178-E180 PolarHBondContact O-N 3.06Å; L178-K181 PolarHBondContact O-N 3.3Å; L178-V182 HydrophobicContact CD1-CB 4.07Å; L178-V182 HydrophobicContact CD1-CG2 3.72Å; L178-V182 HydrophobicContact CG-CB 4.21Å; L178-V182 HydrophobicContact CG-CG2 4.41Å; L178-V182 PolarHBondContact O-N 3.42Å; L178-I184 HydrophobicContact CB-CD1 3.86Å; L178-I184 HydrophobicContact CD2-CD1 4.24Å; L178-I184 HydrophobicContact CD2-CG1 4.25Å; L178-I184 HydrophobicContact CG-CD1 4.09Å; L178-I184 HydrophobicContact CG-CG1 4.25Å
179H90.7Very high90.9Very high23 Ų2325.4 Ų25.411%0.10614%0.141CC..THydrogen-bonded Turntrans-64.6-25.4-170.569.5-98.9000114.5M175 K176 K181 I184 I215 H216 H303M175-H179 WeakPolarHBondContact O-CB 3.34Å; M175-H179 PolarHBondContact O-N 3.21Å; M175-H179 PolarHBondContact O-ND1 3.4Å; K176-H179 VanDerWaalsContact CA-ND1 3.28Å; K176-H179 WeakPolarHBondContact CA-ND1 3.41Å; K176-H179 PolarHBondContact O-CE1 3.17Å; K176-H179 PolarHBondContact O-ND1 2.78Å; H179-K181 VanDerWaalsContact C-N 3.27Å; H179-K181 PolarHBondContact O-N 3.42Å; H179-I184 HydrophobicContact CB-CD1 3.91Å; H179-I215 HydrophobicContact CB-CG2 4.38Å; H179-H216 HydrophobicContact CB-CB 4.4Å; H179-H216 WeakPolarHBondContact CB-O 3.34Å; H179-H216 AromaticContact CD2-ND1 3.6Å; H179-H216 AromaticContact NE2-ND1 3.77Å; H179-H303 PolarHBondContact O-CE1 3.31Å
180E88.7Confident90.9Very high133 Ų13323 Ų2362%0.62112%0.119SC*.THydrogen-bonded Turntrans-73.2-23.4176.4-63.7-176.4166.100112.1L178 H303L178-E180 VanDerWaalsContact C-N 3.25Å; L178-E180 PolarHBondContact O-N 3.06Å; E180-H303 PolarHBondContact O-ND1 2.94Å
181K89.1Confident91Very high47 Ų4721.2 Ų21.220%0.20411%0.109CC..THydrogen-bonded Turntrans-109.2-27.4-168.2-61.3-176.2179.1-169.40114.1T126 V129 D130 F133 L178 H179 H303T126-K181 HydrophobicContact CG2-CD 4Å; V129-K181 HydrophobicContact CG1-CB 4.04Å; D130-K181 WeakPolarHBondContact OD1-CD 3.36Å; D130-K181 WeakPolarHBondContact OD1-CE 3.22Å; D130-K181 IonicContact OD1-NZ 2.88Å; D130-K181 PolarHBondContact OD1-NZ 3.01Å; D130-K181 IonicContact OD2-NZ 3.94Å; D130-K181 PolarHBondContact OD2-NZ 3.37Å; F133-K181 HydrophobicContact CE2-CB 4.29Å; F133-K181 WeakPolarHBondContact CE2-O 3.4Å; F133-K181 VanDerWaalsContact CZ-O 3.27Å; F133-K181 WeakPolarHBondContact CZ-O 3.23Å; L178-K181 PolarHBondContact O-N 3.3Å; H179-K181 VanDerWaalsContact C-N 3.27Å; H179-K181 PolarHBondContact O-N 3.42Å; K181-H303 WeakPolarHBondContact O-CB 3.11Å
182V92.5Very high91Very high0 Ų022.9 Ų22.90%012%0.118CC..SBendtrans-142.8146.1-175.3-173.60000110.4V129 V153 C156 L178 I184V129-V182 HydrophobicContact CB-CG2 4.37Å; V129-V182 HydrophobicContact CG1-CG2 3.64Å; V129-V182 HydrophobicContact CG2-CG2 3.78Å; V153-V182 HydrophobicContact CB-CG1 4.36Å; V153-V182 HydrophobicContact CB-CG2 4.33Å; V153-V182 HydrophobicContact CG1-CG1 3.72Å; V153-V182 HydrophobicContact CG1-CG2 4.37Å; C156-V182 HydrophobicContact CB-CB 4.45Å; C156-V182 HydrophobicContact CB-CG1 3.7Å; L178-V182 HydrophobicContact CD1-CB 4.07Å; L178-V182 HydrophobicContact CD1-CG2 3.72Å; L178-V182 HydrophobicContact CG-CB 4.21Å; L178-V182 HydrophobicContact CG-CG2 4.41Å; L178-V182 PolarHBondContact O-N 3.42Å; V182-I184 PolarHBondContact O-N 2.9Å; V182-I184 VanDerWaalsContact O-N 3.13Å
183N93.3Very high90.9Very high7 Ų725.4 Ų25.44%0.03714%0.135CC..  trans-63.4108.8169-65.6-54.1000110.9H154 C156 Y218 L295 V298 T299 H303H154-N183 PolarHBondContact O-ND2 3.38Å; C156-N183 PolarHBondContact N-O 3.12Å; N183-Y218 HydrophobicContact CB-CD2 4.08Å; N183-L295 HydrophobicContact CB-CD2 3.81Å; N183-L295 PolarHBondContact ND2-O 3.27Å; N183-V298 WeakPolarHBondContact OD1-CG1 3.46Å; N183-T299 PolarHBondContact ND2-OG1 3.43Å; N183-H303 PolarHBondContact N-NE2 3.47Å; N183-H303 PolarHBondContact OD1-NE2 2.91Å; N183-H303 VanDerWaalsContact OD1-NE2 3.1Å
184I93.4Very high91Very high0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-91.9125.3178.6-57.9178.8000110.1M175 L178 H179 V182 Y218M175-I184 HydrophobicContact CB-CD1 4.3Å; M175-I184 HydrophobicContact CE-CG2 3.99Å; L178-I184 HydrophobicContact CB-CD1 3.86Å; L178-I184 HydrophobicContact CD2-CD1 4.24Å; L178-I184 HydrophobicContact CD2-CG1 4.25Å; L178-I184 HydrophobicContact CG-CD1 4.09Å; L178-I184 HydrophobicContact CG-CG1 4.25Å; H179-I184 HydrophobicContact CB-CD1 3.91Å; V182-I184 PolarHBondContact O-N 2.9Å; V182-I184 VanDerWaalsContact O-N 3.13Å; I184-Y218 PolarHBondContact O-N 2.93Å
185V92.3Very high91Very high5 Ų529.9 Ų29.93%0.0316%0.157CC..EExtended strand (participates in β ladder)trans-109.9106.5169.2-179.60000108.9C156 L157 Y158 L187 F244 L283 M286C156-V185 PolarHBondContact O-N 3.36Å; L157-V185 HydrophobicContact CD2-CB 3.89Å; L157-V185 HydrophobicContact CD2-CG1 4.21Å; Y158-V185 PolarHBondContact N-O 3.03Å; V185-L187 HydrophobicContact CG1-CD2 4.03Å; V185-F244 HydrophobicContact CG1-CD2 4.04Å; V185-F244 HydrophobicContact CG1-CE2 4.09Å; V185-L283 HydrophobicContact CG1-CD1 4.28Å; V185-M286 HydrophobicContact CG2-CE 4.14Å
186P92.8Very high90.9Very high11 Ų1134.1 Ų34.17%0.07118%0.184CC..EExtended strand (participates in β ladder)trans-74128.9179.329.4-34.1000111.6I160 M175 I210 V217 P243 F244I160-P186 HydrophobicContact CD1-CB 3.82Å; M175-P186 HydrophobicContact CE-CB 4.41Å; P186-I210 HydrophobicContact CG-CD1 4.47Å; P186-V217 HydrophobicContact CG-CG1 4.19Å; P186-P243 HydrophobicContact CB-CB 3.97Å; P186-P243 HydrophobicContact CG-CB 3.96Å; P186-P243 WeakPolarHBondContact O-CA 3.33Å; P186-P243 VanDerWaalsContact O-CB 3.31Å; P186-P243 WeakPolarHBondContact O-CB 3.48Å; P186-F244 PolarHBondContact O-N 3Å
187L93.1Very high90.9Very high0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-121.4131.7179-55.9-175.5000110.2L60 L157 Y158 F159 I160 V185 A189 F244 V246 L283L60-L187 HydrophobicContact CD2-CD1 3.76Å; L157-L187 HydrophobicContact CB-CD1 3.85Å; L157-L187 HydrophobicContact CD1-CD1 4.06Å; L157-L187 HydrophobicContact CD2-CD1 4.15Å; L157-L187 HydrophobicContact CG-CD1 4.23Å; Y158-L187 PolarHBondContact O-N 2.84Å; F159-L187 HydrophobicContact CE2-CD1 4.13Å; F159-L187 HydrophobicContact CZ-CD1 4.25Å; I160-L187 PolarHBondContact N-O 3.08Å; V185-L187 HydrophobicContact CG1-CD2 4.03Å; L187-A189 PolarHBondContact O-N 2.99Å; L187-F244 CarbonylContact C-O 3.12Å; L187-F244 WeakPolarHBondContact CA-O 3.38Å; L187-F244 HydrophobicContact CD2-CB 3.77Å; L187-F244 HydrophobicContact CD2-CD2 3.91Å; L187-F244 HydrophobicContact CD2-CG 4.33Å; L187-V246 HydrophobicContact CB-CG2 4.16Å; L187-V246 HydrophobicContact CD1-CG2 4.39Å; L187-V246 HydrophobicContact CD2-CG1 4.43Å; L187-L283 HydrophobicContact CD1-CD2 3.72Å; L187-L283 HydrophobicContact CD2-CD1 3.73Å; L187-L283 HydrophobicContact CD2-CD2 3.8Å; L187-L283 HydrophobicContact CD2-CG 4.34Å; L187-L283 HydrophobicContact CG-CD2 4.45Å
188I93.5Very high91Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-83.7113.5168.1-59.3169.1000107.5P162 L194 L202 K203 I206 P243 F244 V246P162-I188 HydrophobicContact CB-CG2 4.32Å; I188-L194 HydrophobicContact CG2-CD1 4.44Å; I188-L202 HydrophobicContact CD1-CD2 4.15Å; I188-L202 HydrophobicContact CD1-CG 4.3Å; I188-L202 HydrophobicContact CG2-CD2 4.14Å; I188-K203 HydrophobicContact CD1-CG 3.73Å; I188-I206 HydrophobicContact CD1-CD1 4.08Å; I188-I206 HydrophobicContact CG1-CD1 4.03Å; I188-P243 HydrophobicContact CD1-CG 4.03Å; I188-P243 HydrophobicContact CG1-CB 4.41Å; I188-P243 HydrophobicContact CG1-CG 4.24Å; I188-F244 PolarHBondContact N-O 2.84Å; I188-V246 WeakPolarHBondContact O-CG2 3.44Å; I188-V246 PolarHBondContact O-N 3.44Å
189A91.6Very high91Very high1 Ų137.2 Ų37.21%0.00820%0.203CC..SBendtrans-74.9152.2179.800000111.7L55 F159 I160 P162 L187 A191L55-A189 HydrophobicContact CB-CB 3.84Å; L55-A189 HydrophobicContact CD1-CB 4.27Å; L55-A189 HydrophobicContact CD2-CB 4.17Å; L55-A189 HydrophobicContact CG-CB 4.32Å; F159-A189 HydrophobicContact CB-CB 4.36Å; F159-A189 HydrophobicContact CD1-CB 3.93Å; I160-A189 WeakPolarHBondContact O-CB 3.16Å; I160-A189 PolarHBondContact O-N 3.31Å; P162-A189 WeakPolarHBondContact CB-O 3.45Å; P162-A189 WeakPolarHBondContact CD-O 3.43Å; P162-A189 VanDerWaalsContact CG-O 3.26Å; P162-A189 WeakPolarHBondContact CG-O 3.41Å; L187-A189 PolarHBondContact O-N 2.99Å; A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 3.12Å
190K88.2Confident91Very high66 Ų6644.6 Ų44.629%0.28723%0.23SC..  trans47.352.1175.8-59.9179.7-179.2173.10112.9G54 P162 D192 C193 V246G54-K190 WeakPolarHBondContact O-CE 3.3Å; G54-K190 PolarHBondContact O-NZ 3.32Å; P162-K190 HydrophobicContact CG-CB 4.22Å; K190-D192 WeakPolarHBondContact CA-OD1 3.18Å; K190-D192 PolarHBondContact O-N 3.39Å; K190-C193 WeakPolarHBondContact O-CB 3.22Å; K190-C193 PolarHBondContact O-N 2.98Å; K190-C193 PolarHBondContact O-SG 2.91Å; K190-V246 PolarHBondContact N-O 2.92Å
191A90Very high91.1Very high4 Ų444.3 Ų44.33%0.03323%0.227CC..G310 helixtrans-60.3-16.8-178.700000114.2A189 C193 L194 I199 A245 V246 I247A189-A191 VanDerWaalsContact C-N 3.33Å; A189-A191 PolarHBondContact O-N 3.12Å; A191-C193 PolarHBondContact O-N 3.26Å; A191-L194 PolarHBondContact O-N 3.13Å; A191-I199 HydrophobicContact CB-CD1 4.45Å; A191-A245 HydrophobicContact CB-CB 3.73Å; A191-V246 PolarHBondContact N-O 3.39Å; A191-I247 HydrophobicContact CB-CD1 4.5Å; A191-I247 HydrophobicContact CB-CG1 3.96Å
192D89.6Confident91.3Very high36 Ų3642.5 Ų42.519%0.19322%0.22CC..G310 helixtrans-65.7-13.317249.7-18.4000114.5K190 L194 I247 R263 Y265K190-D192 WeakPolarHBondContact CA-OD1 3.18Å; K190-D192 PolarHBondContact O-N 3.39Å; D192-L194 VanDerWaalsContact C-N 3.31Å; D192-I247 HydrophobicContact CB-CD1 3.82Å; D192-I247 HydrophobicContact CB-CG1 4.32Å; D192-R263 IonicContact OD1-NH1 3.51Å; D192-R263 PolarHBondContact OD1-NH1 3.38Å; D192-R263 WeakPolarHBondContact OD2-CD 3.24Å; D192-R263 IonicContact OD2-CZ 3.36Å; D192-R263 VanDerWaalsContact OD2-CZ 3.3Å; D192-R263 IonicContact OD2-NE 3.25Å; D192-R263 IonicContact OD2-NH1 3.95Å; D192-R263 PolarHBondContact OD2-NH1 3.18Å; D192-Y265 HydrophobicContact CB-CE2 4.41Å; D192-Y265 PolarHBondContact OD2-OH 2.96Å
193C88.9Confident91.2Very high64 Ų6443.5 Ų43.543%0.43222%0.224SC..G310 helixtrans-80.1-13.2175.8-58.90000113.2K190 A191K190-C193 WeakPolarHBondContact O-CB 3.22Å; K190-C193 PolarHBondContact O-N 2.98Å; K190-C193 PolarHBondContact O-SG 2.91Å; A191-C193 PolarHBondContact O-N 3.26Å
194L89.3Confident91.1Very high35 Ų3547.9 Ų47.918%0.18324%0.244CC..SBendtrans-117.1143.1-171.5-63.4174.9000111.3P162 I188 A191 D192 E198 I199 L202P162-L194 HydrophobicContact CB-CD1 3.82Å; P162-L194 HydrophobicContact CB-CG 4.13Å; I188-L194 HydrophobicContact CG2-CD1 4.44Å; A191-L194 PolarHBondContact O-N 3.13Å; D192-L194 VanDerWaalsContact C-N 3.31Å; L194-E198 HydrophobicContact CB-CB 4.39Å; L194-E198 HydrophobicContact CD2-CB 4.42Å; L194-I199 HydrophobicContact CB-CD1 4.2Å; L194-I199 HydrophobicContact CB-CG1 3.55Å; L194-I199 HydrophobicContact CD1-CG1 4.17Å; L194-L202 HydrophobicContact CD1-CD2 3.67Å
195V90.7Very high91Very high80 Ų8053.1 Ų53.149%0.48526%0.264SS..  trans-72.2148.2171.5-178.90000109S197 E198 I199V195-S197 PolarHBondContact O-N 2.82Å; V195-E198 HydrophobicContact CB-CG 4.16Å; V195-E198 WeakPolarHBondContact CB-OE2 3.42Å; V195-E198 PolarHBondContact N-OE2 3.26Å; V195-E198 WeakPolarHBondContact O-CA 3.41Å; V195-E198 WeakPolarHBondContact O-CB 3.5Å; V195-E198 PolarHBondContact O-N 3.24Å; V195-I199 PolarHBondContact O-N 2.93Å
196P89.4Confident91Very high89 Ų8952.9 Ų52.958%0.57826%0.263SS*.Hα-helixtrans-53.2-30.3179.6-30.636.3000115.2R200P196-R200 WeakPolarHBondContact O-CG 3.37Å; P196-R200 PolarHBondContact O-N 3.27Å
197S91.5Very high90.9Very high64 Ų6457 Ų5745%0.44828%0.277SS..Hα-helixtrans-71.3-33.4175.1680000113.2V195 K201V195-S197 PolarHBondContact O-N 2.82Å; S197-K201 WeakPolarHBondContact O-CG 3.44Å; S197-K201 PolarHBondContact O-N 2.96Å
198E91.8Very high90.8Very high90 Ų9063.2 Ų63.242%0.42131%0.306SS..Hα-helixtrans-74.5-40.5176.5-62.9172.3146.800110.6L194 V195 R200 K201 L202L194-E198 HydrophobicContact CB-CB 4.39Å; L194-E198 HydrophobicContact CD2-CB 4.42Å; V195-E198 HydrophobicContact CB-CG 4.16Å; V195-E198 WeakPolarHBondContact CB-OE2 3.42Å; V195-E198 PolarHBondContact N-OE2 3.26Å; V195-E198 WeakPolarHBondContact O-CA 3.41Å; V195-E198 WeakPolarHBondContact O-CB 3.5Å; V195-E198 PolarHBondContact O-N 3.24Å; E198-R200 VanDerWaalsContact C-N 3.31Å; E198-R200 PolarHBondContact O-N 2.78Å; E198-K201 PolarHBondContact O-N 3.44Å; E198-L202 WeakPolarHBondContact O-CB 3.5Å; E198-L202 PolarHBondContact O-N 3.46Å
199I90.7Very high90.8Very high26 Ų2665.8 Ų65.813%0.13332%0.318CS..Hα-helixtrans-56.7-46.4174.8-64.2175.6000110.3A191 L194 V195 L202 K203 A245A191-I199 HydrophobicContact CB-CD1 4.45Å; L194-I199 HydrophobicContact CB-CD1 4.2Å; L194-I199 HydrophobicContact CB-CG1 3.55Å; L194-I199 HydrophobicContact CD1-CG1 4.17Å; V195-I199 PolarHBondContact O-N 2.93Å; I199-L202 PolarHBondContact O-N 3.2Å; I199-K203 HydrophobicContact CG2-CD 4.22Å; I199-K203 HydrophobicContact CG2-CG 4.27Å; I199-K203 WeakPolarHBondContact O-CB 3.4Å; I199-K203 VanDerWaalsContact O-CG 3.31Å; I199-K203 WeakPolarHBondContact O-CG 3.11Å; I199-K203 PolarHBondContact O-N 3.04Å; I199-A245 HydrophobicContact CG2-CB 4.01Å
200R90.1Very high90.7Very high178 Ų17866.2 Ų66.267%0.67232%0.32SS*.Hα-helixtrans-59.6-49.1178.5-72.7177.3-173.41671.8112P196 E198 L202 K203 E204P196-R200 WeakPolarHBondContact O-CG 3.37Å; P196-R200 PolarHBondContact O-N 3.27Å; E198-R200 VanDerWaalsContact C-N 3.31Å; E198-R200 PolarHBondContact O-N 2.78Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-L202 PolarHBondContact O-N 3.29Å; R200-K203 PolarHBondContact O-N 3.28Å; R200-E204 WeakPolarHBondContact O-CG 3.43Å; R200-E204 PolarHBondContact O-N 2.65Å
201K92.1Very high90.9Very high127 Ų12769.2 Ų69.255%0.55234%0.339SS*.Hα-helixtrans-60.6-40.1176.9-70.8175.6-1801770112.2S197 E198 R205S197-K201 WeakPolarHBondContact O-CG 3.44Å; S197-K201 PolarHBondContact O-N 2.96Å; E198-K201 PolarHBondContact O-N 3.44Å; K201-R205 WeakPolarHBondContact O-CG 3.39Å; K201-R205 PolarHBondContact O-N 3.03Å; K201-R205 VanDerWaalsContact O-N 3.11Å
202L91.8Very high91Very high10 Ų1077.2 Ų77.25%0.05237%0.373CS..Hα-helixtrans-68.2-43.2178.9-177.260.6000111.3G164 I188 L194 E198 I199 R200 E204 R205 I206G164-L202 WeakPolarHBondContact O-CD1 3.5Å; I188-L202 HydrophobicContact CD1-CD2 4.15Å; I188-L202 HydrophobicContact CD1-CG 4.3Å; I188-L202 HydrophobicContact CG2-CD2 4.14Å; L194-L202 HydrophobicContact CD1-CD2 3.67Å; E198-L202 WeakPolarHBondContact O-CB 3.5Å; E198-L202 PolarHBondContact O-N 3.46Å; I199-L202 PolarHBondContact O-N 3.2Å; R200-L202 VanDerWaalsContact C-N 3.31Å; R200-L202 PolarHBondContact O-N 3.29Å; L202-E204 PolarHBondContact O-N 3.02Å; L202-R205 PolarHBondContact O-N 3.07Å; L202-I206 HydrophobicContact CD1-CD1 3.99Å; L202-I206 HydrophobicContact CD1-CG1 4.25Å; L202-I206 HydrophobicContact CD2-CD1 4.48Å; L202-I206 HydrophobicContact CG-CD1 3.79Å; L202-I206 HydrophobicContact CG-CG1 4.46Å; L202-I206 WeakPolarHBondContact O-CB 3.26Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.48Å; L202-I206 PolarHBondContact O-N 3.12Å
203K91.2Very high91.1Very high20 Ų2079.2 Ų79.29%0.08738%0.38CS..Hα-helixtrans-59.3-46.5175.5-73.6-170.6-177.8-158.70111.5I188 I199 R200 I206 R207 S241 P243 D279I188-K203 HydrophobicContact CD1-CG 3.73Å; I199-K203 HydrophobicContact CG2-CD 4.22Å; I199-K203 HydrophobicContact CG2-CG 4.27Å; I199-K203 WeakPolarHBondContact O-CB 3.4Å; I199-K203 VanDerWaalsContact O-CG 3.31Å; I199-K203 WeakPolarHBondContact O-CG 3.11Å; I199-K203 PolarHBondContact O-N 3.04Å; R200-K203 PolarHBondContact O-N 3.28Å; K203-I206 PolarHBondContact O-N 3.36Å; K203-R207 WeakPolarHBondContact O-CG 3.22Å; K203-R207 PolarHBondContact O-N 3.36Å; K203-S241 PolarHBondContact NZ-O 3.39Å; K203-P243 HydrophobicContact CB-CG 4.46Å; K203-P243 WeakPolarHBondContact CE-O 3.27Å; K203-P243 HydrophobicContact CG-CG 4.1Å; K203-P243 PolarHBondContact NZ-O 2.84Å; K203-D279 IonicContact NZ-OD2 3.96Å; K203-D279 PolarHBondContact NZ-OD2 3Å
204E91Very high91.1Very high100 Ų10078.1 Ų78.147%0.46738%0.38SS..Hα-helixtrans-58.4-50.1177.3-74.7166.9-171.700111.6R200 L202 I206 R207 E208R200-E204 WeakPolarHBondContact O-CG 3.43Å; R200-E204 PolarHBondContact O-N 2.65Å; L202-E204 PolarHBondContact O-N 3.02Å; E204-I206 PolarHBondContact O-N 3.42Å; E204-R207 PolarHBondContact O-N 3.16Å; E204-E208 WeakPolarHBondContact O-CG 3.41Å; E204-E208 PolarHBondContact O-N 3.01Å
205R92.1Very high91Very high110 Ų11076.8 Ų76.842%0.41537%0.373SS..Hα-helixtrans-61.9-41.3178.2-71178.8-173.8-179.4-1.3113.3H165 K201 L202 R207 E208 E209H165-R205 WeakPolarHBondContact O-CD 3.49Å; H165-R205 PolarHBondContact O-NH1 3.25Å; K201-R205 WeakPolarHBondContact O-CG 3.39Å; K201-R205 PolarHBondContact O-N 3.03Å; K201-R205 VanDerWaalsContact O-N 3.11Å; L202-R205 PolarHBondContact O-N 3.07Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 3.36Å; R205-E208 PolarHBondContact O-N 3.41Å; R205-E209 WeakPolarHBondContact O-CB 3.32Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 3.46Å
206I91.9Very high90.8Very high0 Ų078.7 Ų78.70%038%0.376CS..Hα-helixtrans-62.4-42.3177.3-70.8166000110.2I160 L167 I188 L202 K203 E204 E209 I210 P243I160-I206 HydrophobicContact CD1-CD1 4.07Å; I160-I206 HydrophobicContact CD1-CG2 4.02Å; I160-I206 HydrophobicContact CG2-CD1 4.11Å; L167-I206 HydrophobicContact CD2-CG1 4.26Å; L167-I206 HydrophobicContact CD2-CG2 4.09Å; L167-I206 HydrophobicContact CG-CG1 4.39Å; L167-I206 HydrophobicContact CG-CG2 4.33Å; I188-I206 HydrophobicContact CD1-CD1 4.08Å; I188-I206 HydrophobicContact CG1-CD1 4.03Å; L202-I206 HydrophobicContact CD1-CD1 3.99Å; L202-I206 HydrophobicContact CD1-CG1 4.25Å; L202-I206 HydrophobicContact CD2-CD1 4.48Å; L202-I206 HydrophobicContact CG-CD1 3.79Å; L202-I206 HydrophobicContact CG-CG1 4.46Å; L202-I206 WeakPolarHBondContact O-CB 3.26Å; L202-I206 VanDerWaalsContact O-CG1 3.27Å; L202-I206 WeakPolarHBondContact O-CG1 3.48Å; L202-I206 PolarHBondContact O-N 3.12Å; K203-I206 PolarHBondContact O-N 3.36Å; E204-I206 PolarHBondContact O-N 3.42Å; I206-E209 PolarHBondContact O-N 2.89Å; I206-I210 HydrophobicContact CG2-CD1 3.62Å; I206-I210 HydrophobicContact CG2-CG1 4.25Å; I206-I210 WeakPolarHBondContact O-CB 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.34Å; I206-I210 PolarHBondContact O-N 2.86Å; I206-P243 HydrophobicContact CB-CG 4.29Å; I206-P243 HydrophobicContact CD1-CG 4.25Å; I206-P243 HydrophobicContact CG2-CG 3.99Å
207R90.5Very high90.7Very high97 Ų9776.2 Ų76.237%0.36636%0.359SS..Hα-helixtrans-62.4-48.4176.2-69.2-172.5-135.6119.6-9.1111.7K203 E204 R205 E209 I210 D211 E240 A242K203-R207 WeakPolarHBondContact O-CG 3.22Å; K203-R207 PolarHBondContact O-N 3.36Å; E204-R207 PolarHBondContact O-N 3.16Å; R205-R207 VanDerWaalsContact C-N 3.32Å; R205-R207 PolarHBondContact O-N 3.36Å; R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 PolarHBondContact O-N 3.35Å; R207-I210 PolarHBondContact O-N 3.41Å; R207-D211 PolarHBondContact O-N 3.43Å; R207-E240 PolarHBondContact NH2-O 3.34Å; R207-E240 VanDerWaalsContact NH2-O 3.15Å; R207-A242 PolarHBondContact NE-O 3.43Å
208E91.8Very high90.3Very high131 Ų13174 Ų7461%0.61234%0.341SS*.Hα-helixtrans-57.9-40.4177.2-71.7175.8-175.800112.3E204 R205 K212E204-E208 WeakPolarHBondContact O-CG 3.41Å; E204-E208 PolarHBondContact O-N 3.01Å; R205-E208 PolarHBondContact O-N 3.41Å; E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 PolarHBondContact O-N 2.75Å
209E92Very high89.5Confident54 Ų5477 Ų7725%0.25236%0.355SS..Hα-helixtrans-73.1-39.6178.8-73.7-178.9177.500112.6L167 R205 I206 R207 D211 K212 F213L167-E209 WeakPolarHBondContact CA-OE2 3.2Å; L167-E209 WeakPolarHBondContact CB-OE2 3.46Å; L167-E209 HydrophobicContact CD1-CB 4.06Å; L167-E209 HydrophobicContact CG-CB 4.43Å; L167-E209 PolarHBondContact N-OE2 3.31Å; R205-E209 WeakPolarHBondContact O-CB 3.32Å; R205-E209 WeakPolarHBondContact O-CG 3.41Å; R205-E209 PolarHBondContact O-N 3.46Å; I206-E209 PolarHBondContact O-N 2.89Å; R207-E209 VanDerWaalsContact C-N 3.28Å; R207-E209 PolarHBondContact O-N 3.35Å; E209-D211 VanDerWaalsContact C-N 3.29Å; E209-D211 PolarHBondContact O-N 3.37Å; E209-K212 PolarHBondContact O-N 2.94Å; E209-F213 HydrophobicContact CB-CD2 4.16Å; E209-F213 HydrophobicContact CB-CE2 4.15Å; E209-F213 HydrophobicContact CG-CE2 4.45Å; E209-F213 WeakPolarHBondContact O-CB 2.99Å; E209-F213 WeakPolarHBondContact O-CD2 3.13Å; E209-F213 PolarHBondContact O-N 3.16Å
210I90.9Very high88.7Confident10 Ų1076.9 Ų76.95%0.05135%0.354CS..Hα-helixtrans-55.4-48.1173.1-74.3168.3000110L167 M175 P186 I206 R207 F213 G214 I215 V217L167-I210 HydrophobicContact CD1-CG1 3.92Å; M175-I210 HydrophobicContact CE-CD1 4.44Å; P186-I210 HydrophobicContact CG-CD1 4.47Å; I206-I210 HydrophobicContact CG2-CD1 3.62Å; I206-I210 HydrophobicContact CG2-CG1 4.25Å; I206-I210 WeakPolarHBondContact O-CB 3.25Å; I206-I210 WeakPolarHBondContact O-CG1 3.34Å; I206-I210 PolarHBondContact O-N 2.86Å; R207-I210 PolarHBondContact O-N 3.41Å; I210-F213 PolarHBondContact O-N 2.86Å; I210-G214 PolarHBondContact O-N 3.4Å; I210-I215 HydrophobicContact CG2-CB 4.15Å; I210-I215 VanDerWaalsContact CG2-O 3.24Å; I210-I215 WeakPolarHBondContact CG2-O 2.99Å; I210-I215 PolarHBondContact O-N 3.14Å; I210-V217 HydrophobicContact CD1-CG1 4.06Å; I210-V217 HydrophobicContact CG2-CG1 4.11Å; I210-V217 HydrophobicContact CG2-CG2 4.27Å
211D90.8Very high87.8Confident128 Ų12870.8 Ų70.868%0.68434%0.337SS*.Hα-helixtrans-66-45.2179.2-67.1-17.3000111.3R207 E209 F213 G214R207-D211 PolarHBondContact O-N 3.43Å; E209-D211 VanDerWaalsContact C-N 3.29Å; E209-D211 PolarHBondContact O-N 3.37Å; D211-F213 VanDerWaalsContact C-N 3.3Å; D211-F213 PolarHBondContact O-N 2.98Å; D211-G214 PolarHBondContact O-N 3Å; D211-G214 VanDerWaalsContact O-N 3.17Å
212K93Very high86.5Confident173 Ų17373.3 Ų73.375%0.75235%0.351SS*.Hα-helixtrans-62.3-35.9178.9-177179.1179.5-178.60112.9E208 E209E208-K212 WeakPolarHBondContact O-CB 3.35Å; E208-K212 PolarHBondContact O-N 2.75Å; E209-K212 PolarHBondContact O-N 2.94Å
213F90.7Very high85Confident77 Ų7774.5 Ų74.534%0.33836%0.36SS..Hα-helixtrans-86.2-9.4179.3-73.4-59.5000113.6V172 K176 E209 I210 D211 I215V172-F213 HydrophobicContact CB-CD2 4.47Å; V172-F213 HydrophobicContact CG1-CB 4.2Å; V172-F213 HydrophobicContact CG1-CD1 3.76Å; V172-F213 HydrophobicContact CG1-CD2 3.84Å; V172-F213 HydrophobicContact CG1-CE1 4.05Å; V172-F213 HydrophobicContact CG1-CE2 4.16Å; V172-F213 HydrophobicContact CG1-CG 3.66Å; V172-F213 HydrophobicContact CG1-CZ 4.26Å; V172-F213 HydrophobicContact CG2-CD2 3.7Å; V172-F213 HydrophobicContact CG2-CE2 3.58Å; V172-F213 HydrophobicContact CG2-CG 4.4Å; V172-F213 HydrophobicContact CG2-CZ 4.14Å; K176-F213 WeakPolarHBondContact CE-O 3.43Å; K176-F213 PolarHBondContact NZ-O 3.45Å; E209-F213 HydrophobicContact CB-CD2 4.16Å; E209-F213 HydrophobicContact CB-CE2 4.15Å; E209-F213 HydrophobicContact CG-CE2 4.45Å; E209-F213 WeakPolarHBondContact O-CB 2.99Å; E209-F213 WeakPolarHBondContact O-CD2 3.13Å; E209-F213 PolarHBondContact O-N 3.16Å; I210-F213 PolarHBondContact O-N 2.86Å; D211-F213 VanDerWaalsContact C-N 3.3Å; D211-F213 PolarHBondContact O-N 2.98Å; F213-I215 HydrophobicContact CB-CD1 3.89Å; F213-I215 HydrophobicContact CB-CG1 3.96Å
214G88.9Confident83.7Confident41 Ų4179.1 Ų79.142%0.42339%0.385SS..THydrogen-bonded Turntrans69.236.6-177.800000112.9I210 D211I210-G214 PolarHBondContact O-N 3.4Å; D211-G214 PolarHBondContact O-N 3Å; D211-G214 VanDerWaalsContact O-N 3.17Å
215I89.1Confident82.3Confident8 Ų879 Ų794%0.04140%0.395CS..  trans-86.8118.6-179.3-63.1166.7000109V172 M175 K176 H179 I210 F213 V217V172-I215 HydrophobicContact CG1-CD1 4.35Å; M175-I215 HydrophobicContact CB-CD1 4.01Å; M175-I215 HydrophobicContact CB-CG2 3.85Å; M175-I215 HydrophobicContact CE-CG2 3.91Å; K176-I215 HydrophobicContact CG-CD1 4.42Å; K176-I215 HydrophobicContact CG-CG1 3.96Å; H179-I215 HydrophobicContact CB-CG2 4.38Å; I210-I215 HydrophobicContact CG2-CB 4.15Å; I210-I215 VanDerWaalsContact CG2-O 3.24Å; I210-I215 WeakPolarHBondContact CG2-O 2.99Å; I210-I215 PolarHBondContact O-N 3.14Å; F213-I215 HydrophobicContact CB-CD1 3.89Å; F213-I215 HydrophobicContact CB-CG1 3.96Å; I215-V217 HydrophobicContact CG2-CG1 4.27Å; I215-V217 PolarHBondContact O-N 3.39Å; I215-V217 VanDerWaalsContact O-N 3.14Å
216H84.9Confident81.3Confident120 Ų12080.9 Ų80.956%0.55641%0.414SS*.  trans-8193.7176.8-60.792.3000110.4H179H179-H216 HydrophobicContact CB-CB 4.4Å; H179-H216 WeakPolarHBondContact CB-O 3.34Å; H179-H216 AromaticContact CD2-ND1 3.6Å; H179-H216 AromaticContact NE2-ND1 3.77Å
217V87.4Confident80.2Confident36 Ų3684.2 Ų84.222%0.21843%0.429CS..PPolyproline II helixtrans-78.3160.5167.7-65.30000110.3M175 P186 I210 I215 Q219M175-V217 HydrophobicContact CE-CG1 3.77Å; P186-V217 HydrophobicContact CG-CG1 4.19Å; I210-V217 HydrophobicContact CD1-CG1 4.06Å; I210-V217 HydrophobicContact CG2-CG1 4.11Å; I210-V217 HydrophobicContact CG2-CG2 4.27Å; I215-V217 HydrophobicContact CG2-CG1 4.27Å; I215-V217 PolarHBondContact O-N 3.39Å; I215-V217 VanDerWaalsContact O-N 3.14Å; V217-Q219 PolarHBondContact O-N 2.89Å
218Y84Confident79.5Confident18 Ų1885.7 Ų85.77%0.07144%0.444CS..PPolyproline II helixtrans-55.8116.6176.3174.4-101.6000110.1N183 I184 F220 M286 H291 D294 L295 V298N183-Y218 HydrophobicContact CB-CD2 4.08Å; I184-Y218 PolarHBondContact O-N 2.93Å; Y218-F220 HydrophobicContact CD1-CD1 4.49Å; Y218-F220 AromaticContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CE1 4.18Å; Y218-F220 HydrophobicContact CE1-CG 4.35Å; Y218-M286 HydrophobicContact CD1-CE 3.58Å; Y218-M286 HydrophobicContact CE1-CE 3.32Å; Y218-H291 PolarHBondContact OH-CD2 3.37Å; Y218-D294 WeakPolarHBondContact CE2-OD2 3.07Å; Y218-D294 VanDerWaalsContact CZ-OD2 3.29Å; Y218-D294 PolarHBondContact OH-OD2 2.86Å; Y218-L295 HydrophobicContact CD1-CD2 4.18Å; Y218-L295 HydrophobicContact CD2-CD2 3.54Å; Y218-L295 HydrophobicContact CE1-CD2 4.1Å; Y218-L295 HydrophobicContact CE2-CD2 3.46Å; Y218-L295 VanDerWaalsContact CE2-CD2 3.46Å; Y218-L295 HydrophobicContact CE2-CG 4.08Å; Y218-L295 HydrophobicContact CG-CD2 3.88Å; Y218-V298 HydrophobicContact CE2-CG2 4.32Å
219Q75.2Confident78.9Confident152 Ų15286.2 Ų86.271%0.7145%0.447SS*.PPolyproline II helixtrans-91.8120.5175.5-65.5-175.46.900107.7V217V217-Q219 PolarHBondContact O-N 2.89Å
220F73.7Confident78.2Confident25 Ų2589.7 Ų89.711%0.1147%0.467CS..PPolyproline II helixtrans-59129.9173.2-63.5-84.4000109.3Y218 L238 K239 A242 F244 M286 H291Y218-F220 HydrophobicContact CD1-CD1 4.49Å; Y218-F220 AromaticContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CD1 3.91Å; Y218-F220 HydrophobicContact CE1-CE1 4.18Å; Y218-F220 HydrophobicContact CE1-CG 4.35Å; F220-L238 HydrophobicContact CE1-CB 4.33Å; F220-L238 HydrophobicContact CZ-CB 4.42Å; F220-K239 HydrophobicContact CB-CD 4.16Å; F220-K239 HydrophobicContact CB-CG 3.79Å; F220-K239 HydrophobicContact CD2-CB 4.41Å; F220-K239 HydrophobicContact CD2-CG 3.58Å; F220-K239 HydrophobicContact CE2-CG 4.41Å; F220-K239 HydrophobicContact CG-CG 3.87Å; F220-K239 WeakPolarHBondContact O-CE 3.32Å; F220-A242 HydrophobicContact CE2-CB 4.28Å; F220-F244 HydrophobicContact CZ-CE2 4.24Å; F220-F244 AromaticContact CZ-CZ 3.96Å; F220-F244 HydrophobicContact CZ-CZ 3.96Å; F220-M286 HydrophobicContact CE1-CE 3.76Å; F220-M286 HydrophobicContact CE1-CG 3.67Å; F220-M286 HydrophobicContact CZ-CE 4.31Å; F220-M286 HydrophobicContact CZ-CG 4.33Å; F220-H291 AromaticContact CD1-CD2 3.9Å; F220-H291 AromaticContact CD1-CE1 3.96Å; F220-H291 AromaticContact CD1-NE2 3.61Å
221P70.4Confident77.6Confident49 Ų4992.2 Ų92.232%0.31848%0.478SS..PPolyproline II helixtrans-50.2151176.8-25.632.4000112.1C223 K239 D294P221-C223 PolarHBondContact O-N 3.42Å; P221-K239 PolarHBondContact O-NZ 3.4Å; P221-D294 HydrophobicContact CG-CB 4.32Å; P221-D294 WeakPolarHBondContact CG-OD1 3.42Å; P221-D294 VanDerWaalsContact CG-OD2 3.22Å; P221-D294 WeakPolarHBondContact CG-OD2 3.45Å
222E64.4Low77Confident181 Ų18188.2 Ų88.285%0.84646%0.455SS*.PPolyproline II helixtrans-69.6120.1167-65.6-172.5170.400107.9D224E222-D224 PolarHBondContact O-N 3.05Å
223C61.2Low76.4Confident35 Ų3584 Ų8424%0.23644%0.438CS..PPolyproline II helixtrans-54.1132.8173.5-75.20000110P221 E227 K232 D235P221-C223 PolarHBondContact O-N 3.42Å; C223-E227 VanDerWaalsContact CB-OE2 3.24Å; C223-E227 WeakPolarHBondContact CB-OE2 3.27Å; C223-E227 PolarHBondContact SG-OE2 3.17Å; C223-K232 HydrophobicContact CB-CG 3.98Å; C223-D235 VanDerWaalsContact SG-CB 3.54Å
224D64.1Low75.8Confident117 Ų11785.2 Ų85.263%0.62644%0.444SS*.PPolyproline II helixtrans-59.8146.6174-74.9-35.4000110E222 D226 E227 K232E222-D224 PolarHBondContact O-N 3.05Å; D224-D226 PolarHBondContact O-N 2.88Å; D224-E227 HydrophobicContact CB-CG 4.22Å; D224-E227 PolarHBondContact O-N 3.31Å; D224-E227 VanDerWaalsContact O-N 3.12Å; D224-K232 WeakPolarHBondContact O-CE 3.31Å
225S62.3Low75.3Confident97 Ų9783.7 Ų83.768%0.67843%0.426SS*.THydrogen-bonded Turntrans-56.9-22.6-179.4560000113.4K232S225-K232 PolarHBondContact O-NZ 3.29Å
226D69.7Low75Confident150 Ų15090.2 Ų90.280%0.80245%0.45SS*.THydrogen-bonded Turntrans-91.9-4.9-172.2-60.8-3000112.7D224D224-D226 PolarHBondContact O-N 2.88Å
227E68.5Low74.9Confident70 Ų7088.3 Ų88.333%0.32744%0.442SS..SBendtrans-74.9151.4177.4-66-170141.700112.5C223 D224 F231 K232C223-E227 VanDerWaalsContact CB-OE2 3.24Å; C223-E227 WeakPolarHBondContact CB-OE2 3.27Å; C223-E227 PolarHBondContact SG-OE2 3.17Å; D224-E227 HydrophobicContact CB-CG 4.22Å; D224-E227 PolarHBondContact O-N 3.31Å; D224-E227 VanDerWaalsContact O-N 3.12Å; E227-F231 HydrophobicContact CB-CD1 4.25Å; E227-F231 HydrophobicContact CG-CD1 4.48Å; E227-F231 WeakPolarHBondContact OE2-CD1 3.49Å; E227-F231 WeakPolarHBondContact OE2-CE1 3.36Å; E227-K232 WeakPolarHBondContact O-CE 3.42Å; E227-K232 PolarHBondContact O-NZ 3.02Å
228D77Confident74.6Confident127 Ų12787.2 Ų87.268%0.67944%0.435SS*.  trans-55.9139.5179.4-67.6-42.2000111.1D230 F231 K232D228-D230 PolarHBondContact O-N 3.4Å; D228-D230 VanDerWaalsContact O-N 3.16Å; D228-F231 HydrophobicContact CB-CB 4.42Å; D228-F231 WeakPolarHBondContact O-CA 3.47Å; D228-F231 WeakPolarHBondContact O-CB 3.45Å; D228-F231 PolarHBondContact O-N 2.91Å; D228-K232 PolarHBondContact O-N 2.92Å
229E78Confident74.5Confident142 Ų14289.8 Ų89.866%0.66445%0.446SS*.Hα-helixtrans-55.3-34.4177.4-69.8-66.8135.600112.1F231 K232 Q233E229-F231 VanDerWaalsContact C-N 3.33Å; E229-F231 PolarHBondContact O-N 2.79Å; E229-K232 PolarHBondContact O-N 3.16Å; E229-K232 IonicContact OE1-NZ 2.73Å; E229-Q233 WeakPolarHBondContact O-CB 3.32Å; E229-Q233 PolarHBondContact O-N 2.91Å
230D78.7Confident74.9Confident127 Ų12788.6 Ų88.668%0.67944%0.441SS*.Hα-helixtrans-64.5-36.7175.7-70-24.8000112.2D228 Q234D228-D230 PolarHBondContact O-N 3.4Å; D228-D230 VanDerWaalsContact O-N 3.16Å; D230-Q234 VanDerWaalsContact O-CG 3.29Å; D230-Q234 WeakPolarHBondContact O-CG 3.37Å; D230-Q234 PolarHBondContact O-N 3.04Å; D230-Q234 VanDerWaalsContact O-N 3.08Å
231F76.9Confident75.3Confident63 Ų6387.9 Ų87.928%0.27644%0.439SS..Hα-helixtrans-72.3-43.2177.6-171.9-96.1000110.9E227 D228 E229 Q233 Q234 D235 T290E227-F231 HydrophobicContact CB-CD1 4.25Å; E227-F231 HydrophobicContact CG-CD1 4.48Å; E227-F231 WeakPolarHBondContact OE2-CD1 3.49Å; E227-F231 WeakPolarHBondContact OE2-CE1 3.36Å; D228-F231 HydrophobicContact CB-CB 4.42Å; D228-F231 WeakPolarHBondContact O-CA 3.47Å; D228-F231 WeakPolarHBondContact O-CB 3.45Å; D228-F231 PolarHBondContact O-N 2.91Å; E229-F231 VanDerWaalsContact C-N 3.33Å; E229-F231 PolarHBondContact O-N 2.79Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.5Å; F231-Q234 PolarHBondContact O-N 3.47Å; F231-D235 PolarHBondContact O-N 3.37Å; F231-T290 HydrophobicContact CE2-CG2 3.87Å
232K78Confident75.9Confident45 Ų4586.7 Ų86.720%0.19643%0.433CS..Hα-helixtrans-59.3-39.7174.1-68.8174.1179.5148.70112.4C223 D224 S225 E227 D228 E229 R236C223-K232 HydrophobicContact CB-CG 3.98Å; D224-K232 WeakPolarHBondContact O-CE 3.31Å; S225-K232 PolarHBondContact O-NZ 3.29Å; E227-K232 WeakPolarHBondContact O-CE 3.42Å; E227-K232 PolarHBondContact O-NZ 3.02Å; D228-K232 PolarHBondContact O-N 2.92Å; E229-K232 PolarHBondContact O-N 3.16Å; E229-K232 IonicContact OE1-NZ 2.73Å; K232-R236 WeakPolarHBondContact O-CB 3.14Å; K232-R236 PolarHBondContact O-N 3.04Å
233Q81Confident77.1Confident85 Ų8578.1 Ų78.140%0.39739%0.393SS..Hα-helixtrans-67-43.1176.3-178.559.128.400111.3E229 F231 R236 E237E229-Q233 WeakPolarHBondContact O-CB 3.32Å; E229-Q233 PolarHBondContact O-N 2.91Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.5Å; Q233-R236 PolarHBondContact O-N 3.09Å; Q233-E237 PolarHBondContact NE2-OE1 2.89Å; Q233-E237 WeakPolarHBondContact O-CG 3.49Å; Q233-E237 PolarHBondContact O-N 2.8Å
234Q77.9Confident78.5Confident102 Ų10276.5 Ų76.548%0.47738%0.382SS..Hα-helixtrans-61.5-44.9175.4-74.7174.927.200111.9D230 F231 E237 L238D230-Q234 VanDerWaalsContact O-CG 3.29Å; D230-Q234 WeakPolarHBondContact O-CG 3.37Å; D230-Q234 PolarHBondContact O-N 3.04Å; D230-Q234 VanDerWaalsContact O-N 3.08Å; F231-Q234 PolarHBondContact O-N 3.47Å; Q234-E237 PolarHBondContact O-N 2.96Å; Q234-L238 VanDerWaalsContact O-CG 3.23Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.12Å
235D79.6Confident79.9Confident9 Ų971.1 Ų71.15%0.04835%0.354CS..Hα-helixtrans-62.3-43.4177.5178.459.4000112C223 F231 E237 L238 K239 H291C223-D235 VanDerWaalsContact SG-CB 3.54Å; F231-D235 PolarHBondContact O-N 3.37Å; D235-E237 PolarHBondContact O-N 3.11Å; D235-L238 WeakPolarHBondContact O-CB 3.38Å; D235-L238 PolarHBondContact O-N 3.01Å; D235-L238 VanDerWaalsContact O-N 3.14Å; D235-K239 WeakPolarHBondContact O-CG 3.34Å; D235-K239 PolarHBondContact O-N 2.95Å; D235-K239 IonicContact OD1-NZ 2.77Å; D235-K239 WeakPolarHBondContact OD2-CD 3.35Å; D235-K239 WeakPolarHBondContact OD2-CE 3.09Å; D235-K239 IonicContact OD2-NZ 2.65Å; D235-K239 PolarHBondContact OD2-NZ 3.02Å; D235-H291 IonicContact OD1-NE2 3.79Å
236R81.7Confident81.3Confident144 Ų14466.6 Ų66.654%0.54332%0.322SS..Hα-helixtrans-60-45.6174.6-170.8-178.4-59.7179.74.1111.9K232 Q233 L238 K239 E240K232-R236 WeakPolarHBondContact O-CB 3.14Å; K232-R236 PolarHBondContact O-N 3.04Å; Q233-R236 PolarHBondContact O-N 3.09Å; R236-L238 VanDerWaalsContact C-N 3.28Å; R236-L238 PolarHBondContact O-N 3.13Å; R236-K239 PolarHBondContact O-N 3.36Å; R236-E240 WeakPolarHBondContact O-CG 3.43Å; R236-E240 PolarHBondContact O-N 2.68Å
237E82.3Confident82.3Confident80 Ų8059.6 Ų59.637%0.37428%0.284SS..Hα-helixtrans-63-35.5176.5-75.2178-163.700112.2Q233 Q234 D235 S241Q233-E237 PolarHBondContact NE2-OE1 2.89Å; Q233-E237 WeakPolarHBondContact O-CG 3.49Å; Q233-E237 PolarHBondContact O-N 2.8Å; Q234-E237 PolarHBondContact O-N 2.96Å; D235-E237 PolarHBondContact O-N 3.11Å; E237-S241 WeakPolarHBondContact O-CB 3.23Å; E237-S241 PolarHBondContact O-N 2.89Å; E237-S241 PolarHBondContact O-OG 2.93Å
238L82.7Confident83Confident13 Ų1357.2 Ų57.27%0.06828%0.279CS..Hα-helixtrans-66-47.7174.6-71.9173.1000111.4F220 Q234 D235 R236 E240 S241 A242 F244 K282 M286F220-L238 HydrophobicContact CE1-CB 4.33Å; F220-L238 HydrophobicContact CZ-CB 4.42Å; Q234-L238 VanDerWaalsContact O-CG 3.23Å; Q234-L238 WeakPolarHBondContact O-CG 3.34Å; Q234-L238 PolarHBondContact O-N 3.12Å; D235-L238 WeakPolarHBondContact O-CB 3.38Å; D235-L238 PolarHBondContact O-N 3.01Å; D235-L238 VanDerWaalsContact O-N 3.14Å; R236-L238 VanDerWaalsContact C-N 3.28Å; R236-L238 PolarHBondContact O-N 3.13Å; L238-E240 PolarHBondContact O-N 3.48Å; L238-S241 PolarHBondContact O-N 3.48Å; L238-A242 PolarHBondContact O-N 2.97Å; L238-F244 HydrophobicContact CD2-CE1 3.95Å; L238-F244 HydrophobicContact CD2-CZ 4.07Å; L238-K282 HydrophobicContact CD2-CB 3.72Å; L238-K282 HydrophobicContact CD2-CG 4.31Å; L238-M286 HydrophobicContact CD1-CB 4.5Å; L238-M286 HydrophobicContact CD2-CB 4.37Å
239K81.5Confident83.2Confident72 Ų7251.4 Ų51.431%0.31325%0.248SC..Hα-helixtrans-56.6-48.1175.6-76.2170.8175.3163.70111.6F220 P221 D235 R236 S241 A242F220-K239 HydrophobicContact CB-CD 4.16Å; F220-K239 HydrophobicContact CB-CG 3.79Å; F220-K239 HydrophobicContact CD2-CB 4.41Å; F220-K239 HydrophobicContact CD2-CG 3.58Å; F220-K239 HydrophobicContact CE2-CG 4.41Å; F220-K239 HydrophobicContact CG-CG 3.87Å; F220-K239 WeakPolarHBondContact O-CE 3.32Å; P221-K239 PolarHBondContact O-NZ 3.4Å; D235-K239 WeakPolarHBondContact O-CG 3.34Å; D235-K239 PolarHBondContact O-N 2.95Å; D235-K239 IonicContact OD1-NZ 2.77Å; D235-K239 WeakPolarHBondContact OD2-CD 3.35Å; D235-K239 WeakPolarHBondContact OD2-CE 3.09Å; D235-K239 IonicContact OD2-NZ 2.65Å; D235-K239 PolarHBondContact OD2-NZ 3.02Å; R236-K239 PolarHBondContact O-N 3.36Å; K239-S241 VanDerWaalsContact C-N 3.3Å; K239-S241 PolarHBondContact O-N 2.86Å; K239-A242 PolarHBondContact O-N 3.23Å
240E82.4Confident83.2Confident127 Ų12748.7 Ų48.759%0.59324%0.238SC*.Hα-helixtrans-67.5-31.7178.6-71.8178.6-170.400112.9R207 R236 L238 A242R207-E240 PolarHBondContact NH2-O 3.34Å; R207-E240 VanDerWaalsContact NH2-O 3.15Å; R236-E240 WeakPolarHBondContact O-CG 3.43Å; R236-E240 PolarHBondContact O-N 2.68Å; L238-E240 PolarHBondContact O-N 3.48Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 2.56Å
241S82.1Confident83.3Confident11 Ų1146.5 Ų46.58%0.07723%0.229CC..Hα-helixtrans-76.5-14.6-179.4-62.40000113.4K203 E237 L238 K239 P243 K282K203-S241 PolarHBondContact NZ-O 3.39Å; E237-S241 WeakPolarHBondContact O-CB 3.23Å; E237-S241 PolarHBondContact O-N 2.89Å; E237-S241 PolarHBondContact O-OG 2.93Å; L238-S241 PolarHBondContact O-N 3.48Å; K239-S241 VanDerWaalsContact C-N 3.3Å; K239-S241 PolarHBondContact O-N 2.86Å; S241-P243 CarbonylContact O-C 3.59Å; S241-K282 WeakPolarHBondContact OG-CD 3.36Å; S241-K282 PolarHBondContact OG-NZ 3.42Å
242A83.2Confident83.5Confident23 Ų2346.9 Ų46.919%0.1924%0.237CC..PPolyproline II helixtrans-72.1133.1175.700000111.3R207 F220 L238 K239 E240R207-A242 PolarHBondContact NE-O 3.43Å; F220-A242 HydrophobicContact CE2-CB 4.28Å; L238-A242 PolarHBondContact O-N 2.97Å; K239-A242 PolarHBondContact O-N 3.23Å; E240-A242 VanDerWaalsContact C-N 3.29Å; E240-A242 PolarHBondContact O-N 2.56Å
243P89.6Confident83.8Confident2 Ų245.8 Ų45.81%0.01323%0.234CC..SBendcis-72.8141.4-3.230.6-35.5000113.3P186 I188 K203 I206 S241 A245P186-P243 HydrophobicContact CB-CB 3.97Å; P186-P243 HydrophobicContact CG-CB 3.96Å; P186-P243 WeakPolarHBondContact O-CA 3.33Å; P186-P243 VanDerWaalsContact O-CB 3.31Å; P186-P243 WeakPolarHBondContact O-CB 3.48Å; I188-P243 HydrophobicContact CD1-CG 4.03Å; I188-P243 HydrophobicContact CG1-CB 4.41Å; I188-P243 HydrophobicContact CG1-CG 4.24Å; K203-P243 HydrophobicContact CB-CG 4.46Å; K203-P243 WeakPolarHBondContact CE-O 3.27Å; K203-P243 HydrophobicContact CG-CG 4.1Å; K203-P243 PolarHBondContact NZ-O 2.84Å; I206-P243 HydrophobicContact CB-CG 4.29Å; I206-P243 HydrophobicContact CD1-CG 4.25Å; I206-P243 HydrophobicContact CG2-CG 3.99Å; S241-P243 CarbonylContact O-C 3.59Å; P243-A245 PolarHBondContact O-N 2.88Å
244F91.5Very high83.9Confident1 Ų148.7 Ų48.70%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-73.3128.5-174.2-61-71.7000111.9V185 P186 L187 I188 F220 L238 V246 D279 K282 L283V185-F244 HydrophobicContact CG1-CD2 4.04Å; V185-F244 HydrophobicContact CG1-CE2 4.09Å; P186-F244 PolarHBondContact O-N 3Å; L187-F244 CarbonylContact C-O 3.12Å; L187-F244 WeakPolarHBondContact CA-O 3.38Å; L187-F244 HydrophobicContact CD2-CB 3.77Å; L187-F244 HydrophobicContact CD2-CD2 3.91Å; L187-F244 HydrophobicContact CD2-CG 4.33Å; I188-F244 PolarHBondContact N-O 2.84Å; F220-F244 HydrophobicContact CZ-CE2 4.24Å; F220-F244 AromaticContact CZ-CZ 3.96Å; F220-F244 HydrophobicContact CZ-CZ 3.96Å; L238-F244 HydrophobicContact CD2-CE1 3.95Å; L238-F244 HydrophobicContact CD2-CZ 4.07Å; F244-V246 HydrophobicContact CB-CG1 4.1Å; F244-V246 PolarHBondContact O-N 2.84Å; F244-D279 HydrophobicContact CB-CB 4.22Å; F244-D279 HydrophobicContact CD1-CB 4.06Å; F244-K282 HydrophobicContact CD1-CB 4.2Å; F244-K282 HydrophobicContact CE1-CB 3.99Å; F244-L283 HydrophobicContact CD2-CB 4.45Å; F244-L283 HydrophobicContact CD2-CD1 3.86Å; F244-L283 HydrophobicContact CE2-CD1 4.21Å; F244-L283 HydrophobicContact CG-CB 4.38Å
245A92.6Very high83.8Confident3 Ų344.3 Ų44.33%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-88.5106.417600000109.8A191 I199 P243 D279A191-A245 HydrophobicContact CB-CB 3.73Å; I199-A245 HydrophobicContact CG2-CB 4.01Å; P243-A245 PolarHBondContact O-N 2.88Å; A245-D279 PolarHBondContact N-OD2 3.08Å; A245-D279 PolarHBondContact O-N 3Å
246V91.9Very high83.8Confident3 Ų353.3 Ų53.32%0.01827%0.268CS..  trans-115.2149.1-169-61.80000113.1L60 L187 I188 K190 A191 F244 L283L60-V246 HydrophobicContact CD1-CB 4.07Å; L60-V246 HydrophobicContact CD1-CG2 4.09Å; L60-V246 HydrophobicContact CD2-CG2 4.03Å; L187-V246 HydrophobicContact CB-CG2 4.16Å; L187-V246 HydrophobicContact CD1-CG2 4.39Å; L187-V246 HydrophobicContact CD2-CG1 4.43Å; I188-V246 WeakPolarHBondContact O-CG2 3.44Å; I188-V246 PolarHBondContact O-N 3.44Å; K190-V246 PolarHBondContact N-O 2.92Å; A191-V246 PolarHBondContact N-O 3.39Å; F244-V246 HydrophobicContact CB-CG1 4.1Å; F244-V246 PolarHBondContact O-N 2.84Å; V246-L283 HydrophobicContact CG1-CB 4.4Å; V246-L283 HydrophobicContact CG1-CD2 3.82Å
247I90.2Very high83.6Confident2 Ų249.4 Ų49.41%0.0127%0.272CS..  trans-128.4125.6175.1-55171.7000106.7A191 D192 R263 V270 V272 C278A191-I247 HydrophobicContact CB-CD1 4.5Å; A191-I247 HydrophobicContact CB-CG1 3.96Å; D192-I247 HydrophobicContact CB-CD1 3.82Å; D192-I247 HydrophobicContact CB-CG1 4.32Å; I247-R263 HydrophobicContact CG2-CG 4.32Å; I247-V270 HydrophobicContact CD1-CG1 3.54Å; I247-V272 HydrophobicContact CB-CG2 4.41Å; I247-V272 HydrophobicContact CG2-CG2 4.12Å; I247-V272 WeakPolarHBondContact O-CG1 3.37Å; I247-C278 HydrophobicContact CB-CB 4.36Å; I247-C278 HydrophobicContact CD1-CB 3.72Å; I247-C278 HydrophobicContact CG1-CB 3.84Å
248G84.3Confident83.6Confident20 Ų2052.2 Ų52.221%0.20629%0.285CS..  trans-98.3137172.700000110.4
249S81.9Confident83.5Confident5 Ų561.3 Ų61.34%0.03532%0.319CS..  trans-142136.5169.1-171.10000111.6T251 G262S249-T251 PolarHBondContact OG-N 3.11Å; S249-T251 PolarHBondContact OG-O 3.49Å; S249-T251 PolarHBondContact OG-OG1 3.02Å; S249-G262 PolarHBondContact OG-O 3.3Å
250N78.1Confident83.6Confident85 Ų8558.9 Ų58.946%0.45531%0.31SS..  trans-97.4-9.2171.3-65.5-4.4000111.8T59T59-N250 WeakPolarHBondContact CG2-OD1 3.48Å
251T79.7Confident83.6Confident81 Ų8155.4 Ų55.450%0.49729%0.291SS..  trans-91.7129-177.550.90000110.7S249 G262S249-T251 PolarHBondContact OG-N 3.11Å; S249-T251 PolarHBondContact OG-O 3.49Å; S249-T251 PolarHBondContact OG-OG1 3.02Å; T251-G262 PolarHBondContact O-N 3.19Å; T251-G262 VanDerWaalsContact O-N 3.1Å; T251-G262 VanDerWaalsContact O-O 3.1Å; T251-G262 PolarHBondContact OG1-O 3.4Å
252V81.9Confident83.7Confident72 Ų7254.9 Ų54.944%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-90.4120.5170.5-177.40000107.7R259 R261V252-R259 HydrophobicContact CG1-CB 3.76Å; V252-R261 HydrophobicContact CG2-CG 4.26Å
253V84.1Confident83.9Confident22 Ų2257.5 Ų57.513%0.13329%0.292CS..EExtended strand (participates in β ladder)trans-114.6148.1178.3-65.90000108.9V260 L264 I269V253-V260 HydrophobicContact CG2-CG2 4.14Å; V253-V260 WeakPolarHBondContact CG2-O 3.29Å; V253-V260 PolarHBondContact N-O 3.3Å; V253-V260 PolarHBondContact O-N 3.15Å; V253-L264 HydrophobicContact CG1-CB 4.39Å; V253-I269 HydrophobicContact CG2-CG2 3.58Å
254E83Confident83.8Confident145 Ų14563.2 Ų63.268%0.67832%0.323SS*.EExtended strand (participates in β ladder)trans-90.7113.5175.7-166.3174.416500108.9
255A76.1Confident83.6Confident11 Ų1165.5 Ų65.59%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-123.5128.1174.700000108.5G257 Q258 V260A255-G257 PolarHBondContact O-N 2.83Å; A255-G257 VanDerWaalsContact O-N 3.12Å; A255-Q258 PolarHBondContact N-O 2.93Å; A255-Q258 PolarHBondContact O-N 2.93Å; A255-Q258 VanDerWaalsContact O-O 3.1Å; A255-V260 HydrophobicContact CB-CG2 3.68Å
256K78Confident83.5Confident198 Ų19871.5 Ų71.586%0.86137%0.37SS*.THydrogen-bonded Turntrans53.334178-55.6174.4-177.5168.20113.9Q258K256-Q258 PolarHBondContact O-N 2.97Å
257G78.6Confident83.4Confident62 Ų6281.1 Ų81.164%0.63941%0.406SS*.THydrogen-bonded Turntrans75.65.4-178.800000115A255A255-G257 PolarHBondContact O-N 2.83Å; A255-G257 VanDerWaalsContact O-N 3.12Å
258Q81.4Confident83.3Confident138 Ų13882.5 Ų82.565%0.64542%0.421SS*.EExtended strand (participates in β ladder)trans-109.5138.4172.4-66.9-172.1-12.100110.3A255 K256 V260A255-Q258 PolarHBondContact N-O 2.93Å; A255-Q258 PolarHBondContact O-N 2.93Å; A255-Q258 VanDerWaalsContact O-O 3.1Å; K256-Q258 PolarHBondContact O-N 2.97Å; Q258-V260 HydrophobicContact CB-CG1 4.12Å; Q258-V260 PolarHBondContact O-N 3.47Å
259R82.1Confident83.5Confident205 Ų20584.5 Ų84.577%0.77443%0.427SS*.EExtended strand (participates in β ladder)trans-79.699.4173.2-65.4-172.977.7-169.64.8108.3V252V252-R259 HydrophobicContact CG1-CB 3.76Å
260V82.7Confident83.9Confident21 Ų2185.5 Ų85.513%0.12743%0.432CS..EExtended strand (participates in β ladder)trans-110.8147.9-177.9-63.80000110.2V253 A255 Q258 G262 E271V253-V260 HydrophobicContact CG2-CG2 4.14Å; V253-V260 WeakPolarHBondContact CG2-O 3.29Å; V253-V260 PolarHBondContact N-O 3.3Å; V253-V260 PolarHBondContact O-N 3.15Å; A255-V260 HydrophobicContact CB-CG2 3.68Å; Q258-V260 HydrophobicContact CB-CG1 4.12Å; Q258-V260 PolarHBondContact O-N 3.47Å; V260-G262 PolarHBondContact O-N 2.85Å; V260-E271 HydrophobicContact CG2-CG 4.01Å
261R82.1Confident84.4Confident53 Ų5383 Ų8320%0.242%0.418CS..EExtended strand (participates in β ladder)trans-76.4125.3171.4-69.3-178.6-178.7-161-2.4108.6S63 L66 V252 V272S63-R261 PolarHBondContact O-NH1 3Å; L66-R261 VanDerWaalsContact CD2-NH1 3.29Å; V252-R261 HydrophobicContact CG2-CG 4.26Å; R261-V272 PolarHBondContact O-N 2.61Å
262G84.5Confident84.7Confident0 Ų079.1 Ų79.10%039%0.394CS..EExtended strand (participates in β ladder)trans-162.7165.1-175.300000112.8S249 T251 V260 V270S249-G262 PolarHBondContact OG-O 3.3Å; T251-G262 PolarHBondContact O-N 3.19Å; T251-G262 VanDerWaalsContact O-N 3.1Å; T251-G262 VanDerWaalsContact O-O 3.1Å; T251-G262 PolarHBondContact OG1-O 3.4Å; V260-G262 PolarHBondContact O-N 2.85Å; G262-V270 CarbonylContact C-O 3.51Å; G262-V270 WeakPolarHBondContact CA-O 3.15Å
263R86.4Confident84.8Confident78 Ų7879.5 Ų79.529%0.29439%0.391SS..EExtended strand (participates in β ladder)trans-102.8126.9173-61.4-175.670.9179.54.7108.6D192 I247 Y265 V270D192-R263 IonicContact OD1-NH1 3.51Å; D192-R263 PolarHBondContact OD1-NH1 3.38Å; D192-R263 WeakPolarHBondContact OD2-CD 3.24Å; D192-R263 IonicContact OD2-CZ 3.36Å; D192-R263 VanDerWaalsContact OD2-CZ 3.3Å; D192-R263 IonicContact OD2-NE 3.25Å; D192-R263 IonicContact OD2-NH1 3.95Å; D192-R263 PolarHBondContact OD2-NH1 3.18Å; I247-R263 HydrophobicContact CG2-CG 4.32Å; R263-Y265 HydrophobicContact CB-CD2 4.46Å; R263-Y265 HydrophobicContact CB-CE2 3.89Å; R263-Y265 PolarHBondContact NE-OH 2.98Å; R263-Y265 PolarHBondContact NH1-OH 3.35Å; R263-Y265 PolarHBondContact NH2-OH 2.99Å; R263-V270 PolarHBondContact N-O 3.45Å; R263-V270 PolarHBondContact O-N 2.91Å
264L87.9Confident84.9Confident123 Ų12380.7 Ų80.764%0.64440%0.397SS*.EExtended strand (participates in β ladder)trans-88.7122.3175.8-17867.1000109.3V253 I269V253-L264 HydrophobicContact CG1-CB 4.39Å; L264-I269 HydrophobicContact CD1-CD1 4.18Å; L264-I269 HydrophobicContact CD1-CG1 3.54Å
265Y88.7Confident85.1Confident48 Ų4879.2 Ų79.219%0.18839%0.39CS..EExtended strand (participates in β ladder)trans-115.6158.9171.2-70.3-72.2000110.4D192 R263 W267 G268 V270D192-Y265 HydrophobicContact CB-CE2 4.41Å; D192-Y265 PolarHBondContact OD2-OH 2.96Å; R263-Y265 HydrophobicContact CB-CD2 4.46Å; R263-Y265 HydrophobicContact CB-CE2 3.89Å; R263-Y265 PolarHBondContact NE-OH 2.98Å; R263-Y265 PolarHBondContact NH1-OH 3.35Å; R263-Y265 PolarHBondContact NH2-OH 2.99Å; Y265-W267 VanDerWaalsContact CB-CE2 3.49Å; Y265-W267 AromaticContact CD1-CH2 3.9Å; Y265-W267 HydrophobicContact CD1-CH2 3.9Å; Y265-W267 AromaticContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD2-CZ2 4.38Å; Y265-W267 HydrophobicContact CE1-CZ2 4.14Å; Y265-W267 AromaticContact CG-CE2 3.76Å; Y265-W267 HydrophobicContact CG-CH2 4.39Å; Y265-W267 AromaticContact CG-CZ2 3.66Å; Y265-W267 HydrophobicContact CG-CZ2 3.66Å; Y265-W267 AromaticContact CG-NE1 3.88Å; Y265-W267 PolarHBondContact O-N 3.47Å; Y265-W267 VanDerWaalsContact O-N 3.11Å; Y265-G268 WeakPolarHBondContact CA-O 3.36Å; Y265-G268 WeakPolarHBondContact CB-O 3.36Å; Y265-G268 PolarHBondContact N-O 3.48Å; Y265-G268 PolarHBondContact O-N 2.77Å; Y265-G268 VanDerWaalsContact O-N 3.12Å; Y265-G268 VanDerWaalsContact O-O 3.07Å; Y265-V270 HydrophobicContact CD2-CG2 3.9Å; Y265-V270 HydrophobicContact CE2-CG2 3.98Å
266P90.4Very high85.5Confident130 Ų13082.9 Ų82.984%0.84442%0.42SS*.THydrogen-bonded Turntrans-56.4-27.3174.8-26.135.3000113.9
267W89.6Confident85.9Confident204 Ų20477.7 Ų77.777%0.77340%0.399SS*.THydrogen-bonded Turntrans-96.3-5.4-179.652.882.3000114.7Y265Y265-W267 VanDerWaalsContact CB-CE2 3.49Å; Y265-W267 AromaticContact CD1-CH2 3.9Å; Y265-W267 HydrophobicContact CD1-CH2 3.9Å; Y265-W267 AromaticContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD1-CZ2 3.51Å; Y265-W267 HydrophobicContact CD2-CZ2 4.38Å; Y265-W267 HydrophobicContact CE1-CZ2 4.14Å; Y265-W267 AromaticContact CG-CE2 3.76Å; Y265-W267 HydrophobicContact CG-CH2 4.39Å; Y265-W267 AromaticContact CG-CZ2 3.66Å; Y265-W267 HydrophobicContact CG-CZ2 3.66Å; Y265-W267 AromaticContact CG-NE1 3.88Å; Y265-W267 PolarHBondContact O-N 3.47Å; Y265-W267 VanDerWaalsContact O-N 3.11Å
268G88Confident86.3Confident32 Ų3275 Ų7533%0.3337%0.37SS..EExtended strand (participates in β ladder)trans158.3-178.5-179.400000114.9Y265Y265-G268 WeakPolarHBondContact CA-O 3.36Å; Y265-G268 WeakPolarHBondContact CB-O 3.36Å; Y265-G268 PolarHBondContact N-O 3.48Å; Y265-G268 PolarHBondContact O-N 2.77Å; Y265-G268 VanDerWaalsContact O-N 3.12Å; Y265-G268 VanDerWaalsContact O-O 3.07Å
269I88.8Confident86.6Confident61 Ų6169.3 Ų69.331%0.31334%0.344SS..EExtended strand (participates in β ladder)trans-110.6125.9-179.6-63167.7000109V253 L264 E271V253-I269 HydrophobicContact CG2-CG2 3.58Å; L264-I269 HydrophobicContact CD1-CD1 4.18Å; L264-I269 HydrophobicContact CD1-CG1 3.54Å; I269-E271 HydrophobicContact CG2-CG 4.46Å
270V89.1Confident87Confident26 Ų2659.7 Ų59.716%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-98.4101.7173.6-1760000108.9I247 G262 R263 Y265 H277I247-V270 HydrophobicContact CD1-CG1 3.54Å; G262-V270 CarbonylContact C-O 3.51Å; G262-V270 WeakPolarHBondContact CA-O 3.15Å; R263-V270 PolarHBondContact N-O 3.45Å; R263-V270 PolarHBondContact O-N 2.91Å; Y265-V270 HydrophobicContact CD2-CG2 3.9Å; Y265-V270 HydrophobicContact CE2-CG2 3.98Å; V270-H277 HydrophobicContact CG1-CB 4.25Å
271E88.4Confident87.2Confident33 Ų3359.2 Ų59.215%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-70.4123.3174.1-60.4173.6-177.300110.8V260 I269 N274 H277V260-E271 HydrophobicContact CG2-CG 4.01Å; I269-E271 HydrophobicContact CG2-CG 4.46Å; E271-N274 HydrophobicContact CB-CB 3.68Å; E271-N274 PolarHBondContact OE2-ND2 2.93Å; E271-H277 PolarHBondContact N-ND1 2.95Å
272V86.7Confident87.4Confident0 Ų058.6 Ų58.60%030%0.304CS..THydrogen-bonded Turntrans-75.6-29.1-1791720000111.9I247 R261 N274 C278 F280I247-V272 HydrophobicContact CB-CG2 4.41Å; I247-V272 HydrophobicContact CG2-CG2 4.12Å; I247-V272 WeakPolarHBondContact O-CG1 3.37Å; R261-V272 PolarHBondContact O-N 2.61Å; V272-N274 VanDerWaalsContact C-N 3.28Å; V272-N274 PolarHBondContact O-N 2.86Å; V272-C278 PolarHBondContact O-SG 3.21Å; V272-F280 HydrophobicContact CG1-CB 4Å; V272-F280 HydrophobicContact CG1-CD1 3.53Å; V272-F280 HydrophobicContact CG1-CD2 4.02Å; V272-F280 HydrophobicContact CG1-CE1 3.96Å; V272-F280 HydrophobicContact CG1-CE2 4.4Å; V272-F280 HydrophobicContact CG1-CG 3.56Å; V272-F280 HydrophobicContact CG1-CZ 4.38Å; V272-F280 WeakPolarHBondContact O-CB 3.24Å
273E83.9Confident87.7Confident80 Ų8058.6 Ų58.637%0.37430%0.304SS..THydrogen-bonded Turntrans-88.22179.9-60.6-166.4122.300113.2V281 R284E273-V281 HydrophobicContact CB-CG2 4.39Å; E273-V281 WeakPolarHBondContact O-CG2 3.5Å; E273-R284 IonicContact OE1-CZ 3.7Å; E273-R284 IonicContact OE1-NH1 3.44Å; E273-R284 PolarHBondContact OE1-NH1 2.88Å; E273-R284 IonicContact OE1-NH2 2.78Å
274N86Confident87.7Confident47 Ų4757.2 Ų57.225%0.25130%0.299SS..  trans-91.3117.2-179.8-166.5-29000110.6E271 V272 A276 H277 C278E271-N274 HydrophobicContact CB-CB 3.68Å; E271-N274 PolarHBondContact OE2-ND2 2.93Å; V272-N274 VanDerWaalsContact C-N 3.28Å; V272-N274 PolarHBondContact O-N 2.86Å; N274-A276 PolarHBondContact O-N 2.9Å; N274-A276 WeakPolarHBondContact OD1-CB 3.48Å; N274-A276 PolarHBondContact OD1-N 2.96Å; N274-H277 HydrophobicContact CB-CB 4.4Å; N274-H277 PolarHBondContact O-N 3.3Å; N274-C278 PolarHBondContact O-N 2.89Å; N274-C278 VanDerWaalsContact O-N 3.08Å
275Q86.7Confident87.6Confident114 Ų11452.9 Ų52.953%0.53328%0.276SS..THydrogen-bonded Turntrans-63.2-22-179.6-63.6-178.22200113.3H277 V281Q275-H277 VanDerWaalsContact C-N 3.31Å; Q275-V281 HydrophobicContact CG-CB 4.09Å; Q275-V281 HydrophobicContact CG-CG1 4.39Å; Q275-V281 HydrophobicContact CG-CG2 4.36Å
276A85.6Confident87.4Confident88 Ų8850.6 Ų50.673%0.72727%0.267SS*.THydrogen-bonded Turntrans-74.8-22.617500000112.7N274N274-A276 PolarHBondContact O-N 2.9Å; N274-A276 WeakPolarHBondContact OD1-CB 3.48Å; N274-A276 PolarHBondContact OD1-N 2.96Å
277H85.2Confident87.1Confident89 Ų8944.6 Ų44.641%0.41223%0.228SC..THydrogen-bonded Turntrans-97.8-40-178.7-66.6175.8000112.4V270 E271 N274 Q275V270-H277 HydrophobicContact CG1-CB 4.25Å; E271-H277 PolarHBondContact N-ND1 2.95Å; N274-H277 HydrophobicContact CB-CB 4.4Å; N274-H277 PolarHBondContact O-N 3.3Å; Q275-H277 VanDerWaalsContact C-N 3.31Å
278C87.1Confident86.7Confident5 Ų537.7 Ų37.73%0.03421%0.206CC..  trans-154.4159.817967.70000113.5I247 V272 N274 F280I247-C278 HydrophobicContact CB-CB 4.36Å; I247-C278 HydrophobicContact CD1-CB 3.72Å; I247-C278 HydrophobicContact CG1-CB 3.84Å; V272-C278 PolarHBondContact O-SG 3.21Å; N274-C278 PolarHBondContact O-N 2.89Å; N274-C278 VanDerWaalsContact O-N 3.08Å; C278-F280 PolarHBondContact O-N 2.84Å; C278-F280 VanDerWaalsContact SG-CB 3.57Å
279D89Confident86.2Confident19 Ų1945 Ų4510%0.10222%0.223CC..THydrogen-bonded Turntrans-83.917.8179.1-63.3-48.7000112.4K203 F244 A245 V281 K282 L283K203-D279 IonicContact NZ-OD2 3.96Å; K203-D279 PolarHBondContact NZ-OD2 3Å; F244-D279 HydrophobicContact CB-CB 4.22Å; F244-D279 HydrophobicContact CD1-CB 4.06Å; A245-D279 PolarHBondContact N-OD2 3.08Å; A245-D279 PolarHBondContact O-N 3Å; D279-V281 VanDerWaalsContact C-N 3.32Å; D279-V281 PolarHBondContact O-N 3.14Å; D279-K282 HydrophobicContact CB-CB 4.39Å; D279-K282 HydrophobicContact CB-CD 4.26Å; D279-K282 WeakPolarHBondContact O-CB 3.47Å; D279-K282 PolarHBondContact O-N 3.36Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 IonicContact OD1-NZ 3.6Å; D279-K282 PolarHBondContact OD1-NZ 3.11Å; D279-L283 PolarHBondContact O-N 2.94Å
280F89.2Confident85.7Confident2 Ų244 Ų441%0.00922%0.22CC..Hα-helixtrans-60.2-40.3-178.3176.4-97.3000112.5L60 S63 L64 V272 C278 K282 L283 R284L60-F280 HydrophobicContact CD1-CD2 3.77Å; L60-F280 HydrophobicContact CD1-CE2 3.78Å; S63-F280 VanDerWaalsContact OG-CZ 3.3Å; S63-F280 WeakPolarHBondContact OG-CZ 3.46Å; L64-F280 HydrophobicContact CD2-CD2 4.34Å; L64-F280 HydrophobicContact CD2-CE2 3.56Å; L64-F280 HydrophobicContact CD2-CZ 3.81Å; L64-F280 HydrophobicContact CG-CE2 3.85Å; L64-F280 HydrophobicContact CG-CZ 4.2Å; V272-F280 HydrophobicContact CG1-CB 4Å; V272-F280 HydrophobicContact CG1-CD1 3.53Å; V272-F280 HydrophobicContact CG1-CD2 4.02Å; V272-F280 HydrophobicContact CG1-CE1 3.96Å; V272-F280 HydrophobicContact CG1-CE2 4.4Å; V272-F280 HydrophobicContact CG1-CG 3.56Å; V272-F280 HydrophobicContact CG1-CZ 4.38Å; V272-F280 WeakPolarHBondContact O-CB 3.24Å; C278-F280 PolarHBondContact O-N 2.84Å; C278-F280 VanDerWaalsContact SG-CB 3.57Å; F280-K282 VanDerWaalsContact C-N 3.3Å; F280-K282 PolarHBondContact O-N 2.89Å; F280-L283 PolarHBondContact O-N 3.19Å; F280-R284 WeakPolarHBondContact O-CB 3.43Å; F280-R284 PolarHBondContact O-N 2.64Å
281V87.1Confident85.3Confident12 Ų1243.3 Ų43.37%0.07322%0.215CC..Hα-helixtrans-64.4-38177.11790000111.3E273 Q275 D279 R284 N285E273-V281 HydrophobicContact CB-CG2 4.39Å; E273-V281 WeakPolarHBondContact O-CG2 3.5Å; Q275-V281 HydrophobicContact CG-CB 4.09Å; Q275-V281 HydrophobicContact CG-CG1 4.39Å; Q275-V281 HydrophobicContact CG-CG2 4.36Å; D279-V281 VanDerWaalsContact C-N 3.32Å; D279-V281 PolarHBondContact O-N 3.14Å; V281-R284 PolarHBondContact O-N 2.95Å; V281-N285 WeakPolarHBondContact O-CB 3.43Å; V281-N285 PolarHBondContact O-N 3.08Å; V281-N285 PolarHBondContact O-ND2 3.43Å
282K87.8Confident85.2Confident40 Ų4043.8 Ų43.817%0.17422%0.218CC..Hα-helixtrans-64.3-47.8176.3-68.2-178.5-171.91600110.8L238 S241 F244 D279 F280 R284 N285 M286L238-K282 HydrophobicContact CD2-CB 3.72Å; L238-K282 HydrophobicContact CD2-CG 4.31Å; S241-K282 WeakPolarHBondContact OG-CD 3.36Å; S241-K282 PolarHBondContact OG-NZ 3.42Å; F244-K282 HydrophobicContact CD1-CB 4.2Å; F244-K282 HydrophobicContact CE1-CB 3.99Å; D279-K282 HydrophobicContact CB-CB 4.39Å; D279-K282 HydrophobicContact CB-CD 4.26Å; D279-K282 WeakPolarHBondContact O-CB 3.47Å; D279-K282 PolarHBondContact O-N 3.36Å; D279-K282 VanDerWaalsContact O-N 3.14Å; D279-K282 IonicContact OD1-NZ 3.6Å; D279-K282 PolarHBondContact OD1-NZ 3.11Å; F280-K282 VanDerWaalsContact C-N 3.3Å; F280-K282 PolarHBondContact O-N 2.89Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-R284 PolarHBondContact O-N 3.39Å; K282-N285 PolarHBondContact O-N 2.78Å; K282-M286 WeakPolarHBondContact O-CB 3.47Å; K282-M286 PolarHBondContact O-N 2.75Å
283L89.4Confident85.1Confident0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-58.2-46.1174.5178.565.1000111.7L60 L64 L157 V185 L187 F244 V246 D279 F280 N285 M286 L287L60-L283 HydrophobicContact CD2-CD2 4.13Å; L64-L283 HydrophobicContact CD2-CD2 4.42Å; L157-L283 HydrophobicContact CD2-CD1 4.33Å; V185-L283 HydrophobicContact CG1-CD1 4.28Å; L187-L283 HydrophobicContact CD1-CD2 3.72Å; L187-L283 HydrophobicContact CD2-CD1 3.73Å; L187-L283 HydrophobicContact CD2-CD2 3.8Å; L187-L283 HydrophobicContact CD2-CG 4.34Å; L187-L283 HydrophobicContact CG-CD2 4.45Å; F244-L283 HydrophobicContact CD2-CB 4.45Å; F244-L283 HydrophobicContact CD2-CD1 3.86Å; F244-L283 HydrophobicContact CE2-CD1 4.21Å; F244-L283 HydrophobicContact CG-CB 4.38Å; V246-L283 HydrophobicContact CG1-CB 4.4Å; V246-L283 HydrophobicContact CG1-CD2 3.82Å; D279-L283 PolarHBondContact O-N 2.94Å; F280-L283 PolarHBondContact O-N 3.19Å; L283-N285 PolarHBondContact O-N 3.3Å; L283-M286 WeakPolarHBondContact O-CB 3.45Å; L283-M286 PolarHBondContact O-N 2.82Å; L283-L287 HydrophobicContact CD1-CD1 3.84Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CD2-CD1 4.5Å; L283-L287 HydrophobicContact CG-CD1 3.91Å; L283-L287 HydrophobicContact CG-CG 4.46Å; L283-L287 WeakPolarHBondContact O-CG 3.33Å; L283-L287 PolarHBondContact O-N 2.79Å
284R87Confident85.4Confident48 Ų4847.6 Ų47.618%0.18124%0.237CC..Hα-helixtrans-61.8-44.7179-175.317967.6-169.7-2.6111.8L64 E273 F280 V281 K282 M286 I288L64-R284 HydrophobicContact CD2-CB 4.15Å; E273-R284 IonicContact OE1-CZ 3.7Å; E273-R284 IonicContact OE1-NH1 3.44Å; E273-R284 PolarHBondContact OE1-NH1 2.88Å; E273-R284 IonicContact OE1-NH2 2.78Å; F280-R284 WeakPolarHBondContact O-CB 3.43Å; F280-R284 PolarHBondContact O-N 2.64Å; V281-R284 PolarHBondContact O-N 2.95Å; K282-R284 VanDerWaalsContact C-N 3.35Å; K282-R284 PolarHBondContact O-N 3.39Å; R284-M286 VanDerWaalsContact C-N 3.34Å; R284-I288 HydrophobicContact CG-CD1 3.86Å; R284-I288 WeakPolarHBondContact O-CB 3.48Å; R284-I288 PolarHBondContact O-N 2.82Å
285N84.9Confident85.6Confident33 Ų3345.3 Ų45.318%0.17623%0.225CC..Hα-helixtrans-66.5-37.6178.5-71.4-12.3000111.7V281 K282 L283 R289 T290V281-N285 WeakPolarHBondContact O-CB 3.43Å; V281-N285 PolarHBondContact O-N 3.08Å; V281-N285 PolarHBondContact O-ND2 3.43Å; K282-N285 PolarHBondContact O-N 2.78Å; L283-N285 PolarHBondContact O-N 3.3Å; N285-R289 WeakPolarHBondContact O-CA 3.43Å; N285-R289 WeakPolarHBondContact O-CB 3.48Å; N285-R289 PolarHBondContact O-N 2.97Å; N285-T290 PolarHBondContact O-N 2.95Å; N285-T290 PolarHBondContact O-OG1 2.8Å
286M85.6Confident85.7Confident0 Ų042.3 Ų42.30%021%0.21CC..Iπ-helixtrans-59.8-56.3173.9-177.5-83-17800111V185 Y218 F220 L238 K282 L283 R284 I288 T290 H291 L295V185-M286 HydrophobicContact CG2-CE 4.14Å; Y218-M286 HydrophobicContact CD1-CE 3.58Å; Y218-M286 HydrophobicContact CE1-CE 3.32Å; F220-M286 HydrophobicContact CE1-CE 3.76Å; F220-M286 HydrophobicContact CE1-CG 3.67Å; F220-M286 HydrophobicContact CZ-CE 4.31Å; F220-M286 HydrophobicContact CZ-CG 4.33Å; L238-M286 HydrophobicContact CD1-CB 4.5Å; L238-M286 HydrophobicContact CD2-CB 4.37Å; K282-M286 WeakPolarHBondContact O-CB 3.47Å; K282-M286 PolarHBondContact O-N 2.75Å; L283-M286 WeakPolarHBondContact O-CB 3.45Å; L283-M286 PolarHBondContact O-N 2.82Å; R284-M286 VanDerWaalsContact C-N 3.34Å; M286-I288 PolarHBondContact O-N 3.44Å; M286-T290 WeakPolarHBondContact CA-OG1 3.2Å; M286-T290 PolarHBondContact O-OG1 2.95Å; M286-H291 HydrophobicContact CE-CB 4.05Å; M286-H291 HydrophobicContact CG-CB 4.33Å; M286-H291 WeakPolarHBondContact O-CB 3.43Å; M286-H291 PolarHBondContact O-N 3.48Å; M286-H291 HydrophobicContact SD-CB 4.31Å; M286-L295 HydrophobicContact CE-CD1 4.12Å; M286-L295 HydrophobicContact CE-CD2 4.39Å; M286-L295 HydrophobicContact CE-CG 4.48Å; M286-L295 HydrophobicContact SD-CD1 4.38Å
287L84.4Confident85.9Confident3 Ų340.9 Ų40.92%0.01619%0.19CC..Iπ-helixtrans-68.2-36.7-174.2-70173000114.1L47 L64 L157 L283 M292 L295L47-L287 HydrophobicContact CD1-CD2 4.29Å; L64-L287 HydrophobicContact CD1-CD1 4.21Å; L157-L287 HydrophobicContact CD1-CD1 4.1Å; L157-L287 HydrophobicContact CD2-CD1 4.17Å; L157-L287 HydrophobicContact CD2-CD2 4.22Å; L283-L287 HydrophobicContact CD1-CD1 3.84Å; L283-L287 HydrophobicContact CD1-CG 4.06Å; L283-L287 HydrophobicContact CD2-CD1 4.5Å; L283-L287 HydrophobicContact CG-CD1 3.91Å; L283-L287 HydrophobicContact CG-CG 4.46Å; L283-L287 WeakPolarHBondContact O-CG 3.33Å; L283-L287 PolarHBondContact O-N 2.79Å; L287-M292 WeakPolarHBondContact O-CB 3.35Å; L287-L295 HydrophobicContact CD2-CD1 4.23Å
288I80.7Confident86.2Confident59 Ų5938.4 Ų38.430%0.30318%0.181SC..Iπ-helixtrans-103.5-39.8-169.7-57178.4000112.3F65 R284 M286F65-I288 HydrophobicContact CE1-CD1 4.21Å; R284-I288 HydrophobicContact CG-CD1 3.86Å; R284-I288 WeakPolarHBondContact O-CB 3.48Å; R284-I288 PolarHBondContact O-N 2.82Å; M286-I288 PolarHBondContact O-N 3.44Å
289R76.7Confident86.3Confident186 Ų18638.2 Ų38.270%0.70218%0.18SC*.Iπ-helixtrans-97.2-35.7-167.4-64.9-176.4174178.6-2114.4N285N285-R289 WeakPolarHBondContact O-CA 3.43Å; N285-R289 WeakPolarHBondContact O-CB 3.48Å; N285-R289 PolarHBondContact O-N 2.97Å
290T78.4Confident86.4Confident41 Ų4138.6 Ų38.625%0.25218%0.184SC..Iπ-helixtrans-117.1-53.2-163.148.90000111.9F231 N285 M286F231-T290 HydrophobicContact CE2-CG2 3.87Å; N285-T290 PolarHBondContact O-N 2.95Å; N285-T290 PolarHBondContact O-OG1 2.8Å; M286-T290 WeakPolarHBondContact CA-OG1 3.2Å; M286-T290 PolarHBondContact O-OG1 2.95Å
291H82.3Confident86.4Confident11 Ų1144.1 Ų44.15%0.05121%0.213CC..SBendtrans-107.36.6-166.7-64.480.4000114.2Y218 F220 D235 M286 H293 D294 L295Y218-H291 PolarHBondContact OH-CD2 3.37Å; F220-H291 AromaticContact CD1-CD2 3.9Å; F220-H291 AromaticContact CD1-CE1 3.96Å; F220-H291 AromaticContact CD1-NE2 3.61Å; D235-H291 IonicContact OD1-NE2 3.79Å; M286-H291 HydrophobicContact CE-CB 4.05Å; M286-H291 HydrophobicContact CG-CB 4.33Å; M286-H291 WeakPolarHBondContact O-CB 3.43Å; M286-H291 PolarHBondContact O-N 3.48Å; M286-H291 HydrophobicContact SD-CB 4.31Å; H291-H293 VanDerWaalsContact C-N 3.31Å; H291-H293 PolarHBondContact O-N 2.75Å; H291-D294 PolarHBondContact O-N 3.22Å; H291-L295 WeakPolarHBondContact O-CB 3.42Å; H291-L295 WeakPolarHBondContact O-CD1 3.45Å; H291-L295 VanDerWaalsContact O-CG 3.23Å; H291-L295 WeakPolarHBondContact O-CG 3.39Å; H291-L295 PolarHBondContact O-N 3.28Å
292M85.4Confident86.6Confident42 Ų4246.7 Ų46.721%0.20723%0.229CC..Hα-helixtrans-59.9-42.3-179.6-167.6-179.264.700112.2F45 L102 L287 K296F45-M292 HydrophobicContact CB-CG 4.5Å; F45-M292 HydrophobicContact CB-SD 4.2Å; F45-M292 HydrophobicContact CD2-CG 3.57Å; F45-M292 HydrophobicContact CD2-SD 4.35Å; F45-M292 HydrophobicContact CE2-CG 3.81Å; F45-M292 HydrophobicContact CG-CG 3.96Å; F45-M292 HydrophobicContact CG-SD 4.17Å; F45-M292 HydrophobicContact CZ-CG 4.39Å; L102-M292 HydrophobicContact CD1-CE 4.1Å; L102-M292 HydrophobicContact CD1-SD 3.84Å; L102-M292 HydrophobicContact CD2-SD 4.11Å; L287-M292 WeakPolarHBondContact O-CB 3.35Å; M292-K296 PolarHBondContact O-N 3.39Å
293H85.8Confident86.8Confident120 Ų12045.4 Ų45.456%0.55622%0.223SC*.Hα-helixtrans-69.1-46.8178.7-170.3-75.7000110.9H291 L295 K296 D297H291-H293 VanDerWaalsContact C-N 3.31Å; H291-H293 PolarHBondContact O-N 2.75Å; H293-L295 PolarHBondContact O-N 2.85Å; H293-K296 WeakPolarHBondContact O-CA 3.43Å; H293-K296 VanDerWaalsContact O-CB 3.3Å; H293-K296 WeakPolarHBondContact O-CB 3.31Å; H293-K296 PolarHBondContact O-N 2.82Å; H293-D297 IonicContact CE1-OD1 2.89Å; H293-D297 PolarHBondContact CE1-OD1 3.49Å; H293-D297 IonicContact CE1-OD2 3.69Å; H293-D297 PolarHBondContact CE1-OD2 2.73Å; H293-D297 IonicContact ND1-OD1 2.67Å; H293-D297 IonicContact ND1-OD2 2.73Å; H293-D297 PolarHBondContact ND1-OD2 3.26Å; H293-D297 PolarHBondContact O-N 3.23Å
294D88.8Confident86.9Confident40 Ų4045.7 Ų45.721%0.21422%0.224CC..Hα-helixtrans-62-44.3-179.8-176.278.7000112.5Y218 P221 H291 K296 D297 V298Y218-D294 WeakPolarHBondContact CE2-OD2 3.07Å; Y218-D294 VanDerWaalsContact CZ-OD2 3.29Å; Y218-D294 PolarHBondContact OH-OD2 2.86Å; P221-D294 HydrophobicContact CG-CB 4.32Å; P221-D294 WeakPolarHBondContact CG-OD1 3.42Å; P221-D294 VanDerWaalsContact CG-OD2 3.22Å; P221-D294 WeakPolarHBondContact CG-OD2 3.45Å; H291-D294 PolarHBondContact O-N 3.22Å; D294-K296 PolarHBondContact O-N 3.35Å; D294-K296 VanDerWaalsContact O-N 3.11Å; D294-D297 PolarHBondContact O-N 2.77Å; D294-V298 WeakPolarHBondContact O-CG2 3.41Å; D294-V298 PolarHBondContact O-N 3.37Å
295L90.2Very high87Confident0 Ų046.8 Ų46.80%023%0.232CC..Hα-helixtrans-53.8-36.2173.1-76.1165.2000111.7F45 C155 N183 Y218 M286 L287 H291 H293 T299F45-L295 HydrophobicContact CE2-CB 4.37Å; F45-L295 HydrophobicContact CE2-CD1 4.4Å; F45-L295 HydrophobicContact CZ-CD1 4.21Å; C155-L295 HydrophobicContact CB-CD1 4.12Å; C155-L295 HydrophobicContact CB-CD2 4.24Å; N183-L295 HydrophobicContact CB-CD2 3.81Å; N183-L295 PolarHBondContact ND2-O 3.27Å; Y218-L295 HydrophobicContact CD1-CD2 4.18Å; Y218-L295 HydrophobicContact CD2-CD2 3.54Å; Y218-L295 HydrophobicContact CE1-CD2 4.1Å; Y218-L295 HydrophobicContact CE2-CD2 3.46Å; Y218-L295 VanDerWaalsContact CE2-CD2 3.46Å; Y218-L295 HydrophobicContact CE2-CG 4.08Å; Y218-L295 HydrophobicContact CG-CD2 3.88Å; M286-L295 HydrophobicContact CE-CD1 4.12Å; M286-L295 HydrophobicContact CE-CD2 4.39Å; M286-L295 HydrophobicContact CE-CG 4.48Å; M286-L295 HydrophobicContact SD-CD1 4.38Å; L287-L295 HydrophobicContact CD2-CD1 4.23Å; H291-L295 WeakPolarHBondContact O-CB 3.42Å; H291-L295 WeakPolarHBondContact O-CD1 3.45Å; H291-L295 VanDerWaalsContact O-CG 3.23Å; H291-L295 WeakPolarHBondContact O-CG 3.39Å; H291-L295 PolarHBondContact O-N 3.28Å; H293-L295 PolarHBondContact O-N 2.85Å; L295-T299 WeakPolarHBondContact O-CB 3.49Å; L295-T299 PolarHBondContact O-N 3.36Å; L295-T299 VanDerWaalsContact O-N 3.11Å; L295-T299 PolarHBondContact O-OG1 3.41Å
296K89.6Confident87.3Confident50 Ų5049.4 Ų49.422%0.21725%0.246CC..Hα-helixtrans-74-40.6177.4179.6165.6-167.91530112.7D44 D150 M292 H293 D294 T299 C300D44-K296 PolarHBondContact O-NZ 3.46Å; D44-K296 VanDerWaalsContact O-NZ 3.12Å; D150-K296 VanDerWaalsContact OD2-CE 3.26Å; D150-K296 WeakPolarHBondContact OD2-CE 3.36Å; D150-K296 IonicContact OD2-NZ 2.81Å; D150-K296 PolarHBondContact OD2-NZ 3.48Å; M292-K296 PolarHBondContact O-N 3.39Å; H293-K296 WeakPolarHBondContact O-CA 3.43Å; H293-K296 VanDerWaalsContact O-CB 3.3Å; H293-K296 WeakPolarHBondContact O-CB 3.31Å; H293-K296 PolarHBondContact O-N 2.82Å; D294-K296 PolarHBondContact O-N 3.35Å; D294-K296 VanDerWaalsContact O-N 3.11Å; K296-T299 PolarHBondContact O-N 3.36Å; K296-C300 PolarHBondContact O-N 3.5Å; K296-C300 PolarHBondContact O-SG 3.03Å
297D90.1Very high87.5Confident59 Ų5952 Ų5232%0.31626%0.256SS..Hα-helixtrans-64.3-47.5176.7-66.6-19.6000110.6H293 D294 T299 C300 D301H293-D297 IonicContact CE1-OD1 2.89Å; H293-D297 PolarHBondContact CE1-OD1 3.49Å; H293-D297 IonicContact CE1-OD2 3.69Å; H293-D297 PolarHBondContact CE1-OD2 2.73Å; H293-D297 IonicContact ND1-OD1 2.67Å; H293-D297 IonicContact ND1-OD2 2.73Å; H293-D297 PolarHBondContact ND1-OD2 3.26Å; H293-D297 PolarHBondContact O-N 3.23Å; D294-D297 PolarHBondContact O-N 2.77Å; D297-T299 VanDerWaalsContact C-N 3.27Å; D297-T299 PolarHBondContact O-N 3.14Å; D297-C300 CarbonylContact O-C 3.49Å; D297-C300 WeakPolarHBondContact O-CA 3.41Å; D297-C300 WeakPolarHBondContact O-CB 3.38Å; D297-C300 PolarHBondContact O-N 2.82Å; D297-D301 WeakPolarHBondContact O-CB 3.11Å; D297-D301 PolarHBondContact O-N 2.8Å
298V90.4Very high87.8Confident37 Ų3755.5 Ų55.522%0.22427%0.269CS..Hα-helixtrans-59.5-39.1175.2178.80000111.4N183 Y218 D294 C300 V302 H303N183-V298 WeakPolarHBondContact OD1-CG1 3.46Å; Y218-V298 HydrophobicContact CE2-CG2 4.32Å; D294-V298 WeakPolarHBondContact O-CG2 3.41Å; D294-V298 PolarHBondContact O-N 3.37Å; V298-C300 VanDerWaalsContact C-N 3.33Å; V298-C300 PolarHBondContact O-N 2.99Å; V298-V302 HydrophobicContact CG1-CB 4.28Å; V298-V302 HydrophobicContact CG1-CG2 4.12Å; V298-V302 VanDerWaalsContact O-CB 3.29Å; V298-V302 WeakPolarHBondContact O-CB 3.05Å; V298-V302 PolarHBondContact O-N 2.78Å; V298-H303 PolarHBondContact O-N 2.89Å
299T90.4Very high88.3Confident0 Ų054.8 Ų54.80%027%0.272CS..Iπ-helixtrans-63.1-39.4174.8-56.10000112.1F133 H154 N183 L295 K296 D297 Y304F133-T299 HydrophobicContact CE1-CG2 4.39Å; H154-T299 WeakPolarHBondContact CA-OG1 2.9Å; H154-T299 PolarHBondContact O-OG1 2.9Å; N183-T299 PolarHBondContact ND2-OG1 3.43Å; L295-T299 WeakPolarHBondContact O-CB 3.49Å; L295-T299 PolarHBondContact O-N 3.36Å; L295-T299 VanDerWaalsContact O-N 3.11Å; L295-T299 PolarHBondContact O-OG1 3.41Å; K296-T299 PolarHBondContact O-N 3.36Å; D297-T299 VanDerWaalsContact C-N 3.27Å; D297-T299 PolarHBondContact O-N 3.14Å; T299-Y304 VanDerWaalsContact O-CB 3.26Å; T299-Y304 WeakPolarHBondContact O-CB 3.22Å; T299-Y304 PolarHBondContact O-N 2.98Å
300C90Very high88.9Confident28 Ų2851.4 Ų51.419%0.18926%0.264CS..Iπ-helixtrans-70.7-56.5177.3-64.90000111.7R152 K296 D297 V298 Y304 E305R152-C300 PolarHBondContact NH2-SG 3.33Å; K296-C300 PolarHBondContact O-N 3.5Å; K296-C300 PolarHBondContact O-SG 3.03Å; D297-C300 CarbonylContact O-C 3.49Å; D297-C300 WeakPolarHBondContact O-CA 3.41Å; D297-C300 WeakPolarHBondContact O-CB 3.38Å; D297-C300 PolarHBondContact O-N 2.82Å; V298-C300 VanDerWaalsContact C-N 3.33Å; V298-C300 PolarHBondContact O-N 2.99Å; C300-Y304 WeakPolarHBondContact O-CB 3.39Å; C300-E305 WeakPolarHBondContact O-CG 3.34Å; C300-E305 PolarHBondContact O-N 3.04Å
301D90.3Very high89.3Confident117 Ų11750.4 Ų50.463%0.62626%0.258SS*.Iπ-helixtrans-81.5-27.6-164.7-67-12.5000112.9D297 E305D297-D301 WeakPolarHBondContact O-CB 3.11Å; D297-D301 PolarHBondContact O-N 2.8Å; D301-E305 WeakPolarHBondContact O-CB 3.26Å
302V90.7Very high89.6Confident66 Ų6653.4 Ų53.440%0.427%0.274SS..Iπ-helixtrans-103.9-68.2-179.7-174.20000109.8V298 N306V298-V302 HydrophobicContact CG1-CB 4.28Å; V298-V302 HydrophobicContact CG1-CG2 4.12Å; V298-V302 VanDerWaalsContact O-CB 3.29Å; V298-V302 WeakPolarHBondContact O-CB 3.05Å; V298-V302 PolarHBondContact O-N 2.78Å; V302-N306 WeakPolarHBondContact O-CB 3.46Å; V302-N306 PolarHBondContact O-N 2.73Å; V302-N306 PolarHBondContact O-ND2 2.96Å
303H91.1Very high89.7Confident14 Ų1456.7 Ų56.77%0.06529%0.289CS..Iπ-helixtrans-68.1-48.6-169.2-63-55.6000112.9F133 H179 E180 K181 N183 V298 Y307F133-H303 HydrophobicContact CZ-CB 4.15Å; H179-H303 PolarHBondContact O-CE1 3.31Å; E180-H303 PolarHBondContact O-ND1 2.94Å; K181-H303 WeakPolarHBondContact O-CB 3.11Å; N183-H303 PolarHBondContact N-NE2 3.47Å; N183-H303 PolarHBondContact OD1-NE2 2.91Å; N183-H303 VanDerWaalsContact OD1-NE2 3.1Å; V298-H303 PolarHBondContact O-N 2.89Å; H303-Y307 PolarHBondContact O-N 3.31Å; H303-Y307 VanDerWaalsContact O-N 3.07Å
304Y91.9Very high89.8Confident5 Ų556.6 Ų56.62%0.0229%0.288CS..Iπ-helixtrans-70.8-43.2-179175.6-106.1000112.1F133 Y136 F137 E140 T299 C300 N306 Y307 R308F133-Y304 AromaticContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CD1-CD2 3.93Å; F133-Y304 HydrophobicContact CG-CD2 4.49Å; Y136-Y304 HydrophobicContact CD1-CD2 4.21Å; Y136-Y304 AromaticContact CD1-CE1 3.98Å; Y136-Y304 HydrophobicContact CD1-CE1 3.98Å; Y136-Y304 AromaticContact CD1-CE2 3.53Å; Y136-Y304 HydrophobicContact CD1-CE2 3.53Å; Y136-Y304 AromaticContact CD1-CZ 3.41Å; Y136-Y304 VanDerWaalsContact CD1-CZ 3.41Å; Y136-Y304 WeakPolarHBondContact CD1-OH 3.33Å; Y136-Y304 HydrophobicContact CE1-CD1 4.46Å; Y136-Y304 AromaticContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE1 3.87Å; Y136-Y304 HydrophobicContact CE1-CE2 4.25Å; Y136-Y304 AromaticContact CE1-CZ 3.78Å; Y136-Y304 HydrophobicContact CG-CE2 4.37Å; F137-Y304 WeakPolarHBondContact CA-OH 3.31Å; F137-Y304 HydrophobicContact CB-CE2 4.36Å; E140-Y304 PolarHBondContact OE2-OH 2.89Å; T299-Y304 VanDerWaalsContact O-CB 3.26Å; T299-Y304 WeakPolarHBondContact O-CB 3.22Å; T299-Y304 PolarHBondContact O-N 2.98Å; C300-Y304 WeakPolarHBondContact O-CB 3.39Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 2.77Å; Y304-Y307 PolarHBondContact O-N 3.38Å; Y304-R308 VanDerWaalsContact O-CB 3.23Å; Y304-R308 WeakPolarHBondContact O-CB 3.47Å; Y304-R308 PolarHBondContact O-N 3.18Å
305E90Very high89.5Confident71 Ų7159.2 Ų59.233%0.33230%0.3SS..Hα-helixtrans-64-37.2175.9-75.1-60.5145.400112.5C300 D301 R308 A309C300-E305 WeakPolarHBondContact O-CG 3.34Å; C300-E305 PolarHBondContact O-N 3.04Å; D301-E305 WeakPolarHBondContact O-CB 3.26Å; E305-R308 PolarHBondContact O-N 3.33Å; E305-R308 IonicContact OE1-CZ 3.67Å; E305-R308 IonicContact OE1-NH1 2.87Å; E305-R308 PolarHBondContact OE1-NH1 2.83Å; E305-R308 IonicContact OE2-CZ 3.08Å; E305-R308 IonicContact OE2-NH1 2.89Å; E305-R308 PolarHBondContact OE2-NH1 2.67Å; E305-A309 VanDerWaalsContact O-CB 3.3Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 3.45Å
306N91.1Very high89.1Confident89 Ų8962.7 Ų62.748%0.47632%0.322SS..Hα-helixtrans-61.9-45.5172.5-73.9-22.3000111.6V302 Y304 A309 H310V302-N306 WeakPolarHBondContact O-CB 3.46Å; V302-N306 PolarHBondContact O-N 2.73Å; V302-N306 PolarHBondContact O-ND2 2.96Å; Y304-N306 VanDerWaalsContact C-N 3.34Å; Y304-N306 PolarHBondContact O-N 2.77Å; N306-A309 PolarHBondContact O-N 3.5Å; N306-H310 PolarHBondContact O-N 3.33Å
307Y90.1Very high88.6Confident55 Ų5563.2 Ų63.222%0.21633%0.332CS..Hα-helixtrans-61.4-44.9175.3179-94.7000111.7F133 H303 Y304 H310 C311F133-Y307 HydrophobicContact CB-CD1 3.58Å; F133-Y307 HydrophobicContact CB-CD2 4.31Å; F133-Y307 HydrophobicContact CB-CE1 3.64Å; F133-Y307 HydrophobicContact CB-CE2 4.37Å; F133-Y307 HydrophobicContact CB-CG 3.92Å; F133-Y307 HydrophobicContact CD2-CD2 4.22Å; F133-Y307 HydrophobicContact CD2-CG 4.12Å; F133-Y307 HydrophobicContact CG-CD1 4.36Å; F133-Y307 HydrophobicContact CG-CG 4.3Å; H303-Y307 PolarHBondContact O-N 3.31Å; H303-Y307 VanDerWaalsContact O-N 3.07Å; Y304-Y307 PolarHBondContact O-N 3.38Å; Y307-H310 PolarHBondContact O-N 2.84Å; Y307-C311 WeakPolarHBondContact O-CB 3.39Å; Y307-C311 PolarHBondContact O-N 2.86Å
308R90.3Very high87.9Confident76 Ų7666.6 Ų66.629%0.28734%0.344SS..Hα-helixtrans-62.3-44.9178.9-179177.6171.1-138.41.9111.5F137 Y304 E305 H310 C311 I312F137-R308 HydrophobicContact CD2-CG 4.07Å; F137-R308 HydrophobicContact CE2-CG 3.92Å; Y304-R308 VanDerWaalsContact O-CB 3.23Å; Y304-R308 WeakPolarHBondContact O-CB 3.47Å; Y304-R308 PolarHBondContact O-N 3.18Å; E305-R308 PolarHBondContact O-N 3.33Å; E305-R308 IonicContact OE1-CZ 3.67Å; E305-R308 IonicContact OE1-NH1 2.87Å; E305-R308 PolarHBondContact OE1-NH1 2.83Å; E305-R308 IonicContact OE2-CZ 3.08Å; E305-R308 IonicContact OE2-NH1 2.89Å; E305-R308 PolarHBondContact OE2-NH1 2.67Å; R308-H310 VanDerWaalsContact C-N 3.35Å; R308-H310 PolarHBondContact O-N 2.81Å; R308-C311 PolarHBondContact O-N 2.95Å; R308-I312 HydrophobicContact CG-CD1 3.85Å; R308-I312 WeakPolarHBondContact O-CB 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.35Å; R308-I312 PolarHBondContact O-N 3.31Å
309A90.4Very high86.9Confident44 Ų4470.6 Ų70.636%0.36436%0.363SS..Hα-helixtrans-59.1-45.9175.100000111.1E305 N306 I312 Q313E305-A309 VanDerWaalsContact O-CB 3.3Å; E305-A309 WeakPolarHBondContact O-CB 3.48Å; E305-A309 PolarHBondContact O-N 3.45Å; N306-A309 PolarHBondContact O-N 3.5Å; A309-I312 PolarHBondContact O-N 3.29Å; A309-Q313 WeakPolarHBondContact O-CB 3.43Å; A309-Q313 WeakPolarHBondContact O-CG 3.36Å; A309-Q313 PolarHBondContact O-N 3.34Å
310H89.8Confident85.7Confident115 Ų11574 Ų7453%0.53238%0.384SS..Hα-helixtrans-62.4-42.9175.2-89.2-47.3000113N306 Y307 R308 Q313 Q314N306-H310 PolarHBondContact O-N 3.33Å; Y307-H310 PolarHBondContact O-N 2.84Å; R308-H310 VanDerWaalsContact C-N 3.35Å; R308-H310 PolarHBondContact O-N 2.81Å; H310-Q313 PolarHBondContact O-N 3.15Å; H310-Q314 WeakPolarHBondContact O-CG 3.48Å; H310-Q314 PolarHBondContact O-N 2.84Å
311C87.2Confident84.3Confident20 Ų2079.1 Ų79.114%0.13541%0.405CS..Hα-helixtrans-62.5-46.2178.3-168.40000111.5Y307 R308 Q313 Q314 M315Y307-C311 WeakPolarHBondContact O-CB 3.39Å; Y307-C311 PolarHBondContact O-N 2.86Å; R308-C311 PolarHBondContact O-N 2.95Å; C311-Q313 PolarHBondContact O-N 3.11Å; C311-Q314 PolarHBondContact O-N 2.85Å; C311-M315 WeakPolarHBondContact O-CG 3.45Å; C311-M315 PolarHBondContact O-N 3.18Å
312I87.4Confident82.6Confident73 Ų7379.8 Ų79.837%0.37441%0.409SS..Hα-helixtrans-63.3-41.1177-67.4167.6000111.2F137 R308 A309 Q314 M315 T316F137-I312 HydrophobicContact CE2-CG1 4.47Å; F137-I312 HydrophobicContact CZ-CG1 4.49Å; R308-I312 HydrophobicContact CG-CD1 3.85Å; R308-I312 WeakPolarHBondContact O-CB 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.35Å; R308-I312 PolarHBondContact O-N 3.31Å; A309-I312 PolarHBondContact O-N 3.29Å; I312-Q314 VanDerWaalsContact C-N 3.35Å; I312-Q314 PolarHBondContact O-N 3Å; I312-M315 PolarHBondContact O-N 2.99Å; I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.09Å; I312-T316 PolarHBondContact O-OG1 2.86Å
313Q89Confident80.6Confident111 Ų11180.4 Ų80.452%0.51942%0.416SS..Hα-helixtrans-61.6-42.4175.4-76171.66.300111.7A309 H310 C311 T316 S317A309-Q313 WeakPolarHBondContact O-CB 3.43Å; A309-Q313 WeakPolarHBondContact O-CG 3.36Å; A309-Q313 PolarHBondContact O-N 3.34Å; H310-Q313 PolarHBondContact O-N 3.15Å; C311-Q313 PolarHBondContact O-N 3.11Å; Q313-T316 PolarHBondContact O-N 3.01Å; Q313-S317 VanDerWaalsContact O-CB 3.29Å; Q313-S317 WeakPolarHBondContact O-CB 3.43Å; Q313-S317 PolarHBondContact O-N 3.41Å; Q313-S317 PolarHBondContact O-OG 2.92Å
314Q86.6Confident78.8Confident118 Ų11890.6 Ų90.655%0.55145%0.454SS*.Hα-helixtrans-66.1-42.5176.8-72.5-17727.600112H310 C311 I312 S317 K318H310-Q314 WeakPolarHBondContact O-CG 3.48Å; H310-Q314 PolarHBondContact O-N 2.84Å; C311-Q314 PolarHBondContact O-N 2.85Å; I312-Q314 VanDerWaalsContact C-N 3.35Å; I312-Q314 PolarHBondContact O-N 3Å; Q314-S317 PolarHBondContact O-N 3.32Å; Q314-K318 WeakPolarHBondContact O-CG 3.3Å; Q314-K318 PolarHBondContact O-N 3.08Å
315M82.9Confident76.5Confident95 Ų9598 Ų9847%0.46849%0.491SS..Hα-helixtrans-62.7-44.6175.6-70.5-178.3175.500111.7F137 C311 I312 S317 K318 L319F137-M315 HydrophobicContact CE1-CE 3.83Å; F137-M315 HydrophobicContact CE1-SD 4.37Å; F137-M315 HydrophobicContact CZ-CE 4.49Å; F137-M315 HydrophobicContact CZ-SD 4.48Å; C311-M315 WeakPolarHBondContact O-CG 3.45Å; C311-M315 PolarHBondContact O-N 3.18Å; I312-M315 PolarHBondContact O-N 2.99Å; M315-S317 VanDerWaalsContact C-N 3.35Å; M315-S317 PolarHBondContact O-N 3.41Å; M315-K318 PolarHBondContact O-N 3.45Å; M315-L319 WeakPolarHBondContact O-CG 3.14Å; M315-L319 PolarHBondContact O-N 3.04Å; M315-L319 VanDerWaalsContact O-N 3.09Å
316T82.7Confident73.9Confident74 Ų74103.8 Ų103.845%0.45452%0.518SS..Hα-helixtrans-63.7-41.5176.4-56.90000111.1I312 Q313 K318 L319 T320I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.09Å; I312-T316 PolarHBondContact O-OG1 2.86Å; Q313-T316 PolarHBondContact O-N 3.01Å; T316-K318 PolarHBondContact O-N 3.23Å; T316-L319 PolarHBondContact O-N 2.77Å; T316-T320 WeakPolarHBondContact O-CG2 3.45Å; T316-T320 PolarHBondContact O-N 2.8Å; T316-T320 PolarHBondContact O-OG1 3.44Å
317S78.5Confident71.3Confident60 Ų60104.1 Ų104.142%0.4253%0.527SS..Hα-helixtrans-63.2-42.5178.7-61.60000111.7Q313 Q314 M315 T320 Q321Q313-S317 VanDerWaalsContact O-CB 3.29Å; Q313-S317 WeakPolarHBondContact O-CB 3.43Å; Q313-S317 PolarHBondContact O-N 3.41Å; Q313-S317 PolarHBondContact O-OG 2.92Å; Q314-S317 PolarHBondContact O-N 3.32Å; M315-S317 VanDerWaalsContact C-N 3.35Å; M315-S317 PolarHBondContact O-N 3.41Å; S317-T320 WeakPolarHBondContact CA-OG1 3.43Å; S317-T320 PolarHBondContact O-N 3.34Å; S317-T320 PolarHBondContact O-OG1 2.8Å; S317-Q321 PolarHBondContact O-N 2.97Å
318K74.9Confident68.9Low131 Ų131107.3 Ų107.357%0.5755%0.554SS**Hα-helixtrans-61.1-44.2174.9-72176-177.9179.60111.6Q314 M315 T316 T320 Q321 D322Q314-K318 WeakPolarHBondContact O-CG 3.3Å; Q314-K318 PolarHBondContact O-N 3.08Å; M315-K318 PolarHBondContact O-N 3.45Å; T316-K318 PolarHBondContact O-N 3.23Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 3.2Å; K318-Q321 PolarHBondContact O-N 2.9Å; K318-D322 PolarHBondContact O-N 2.74Å
319L70.6Confident66.6Low121 Ų121110.2 Ų110.263%0.63457%0.574SS**Hα-helixtrans-61.6-37.1174.8-72.4160.2000112.8M315 T316 S323M315-L319 WeakPolarHBondContact O-CG 3.14Å; M315-L319 PolarHBondContact O-N 3.04Å; M315-L319 VanDerWaalsContact O-N 3.09Å; T316-L319 PolarHBondContact O-N 2.77Å; L319-S323 PolarHBondContact O-N 3.15Å; L319-S323 PolarHBondContact O-OG 3.43Å
320T64.6Low64.1Low71 Ų71113.9 Ų113.944%0.43659%0.594SS.*Hα-helixtrans-75.6-25.8176.858.70000114.2T316 S317 K318 S323 R324T316-T320 WeakPolarHBondContact O-CG2 3.45Å; T316-T320 PolarHBondContact O-N 2.8Å; T316-T320 PolarHBondContact O-OG1 3.44Å; S317-T320 WeakPolarHBondContact CA-OG1 3.43Å; S317-T320 PolarHBondContact O-N 3.34Å; S317-T320 PolarHBondContact O-OG1 2.8Å; K318-T320 VanDerWaalsContact C-N 3.32Å; K318-T320 PolarHBondContact O-N 3.2Å; T320-S323 VanDerWaalsContact CA-OG 3.27Å; T320-S323 WeakPolarHBondContact CA-OG 3.05Å; T320-S323 PolarHBondContact O-OG 2.86Å; T320-R324 PolarHBondContact O-N 3.24Å
321Q59.7Low61.5Low136 Ų136115.7 Ų115.764%0.63661%0.606SS**Hα-helixtrans-75.7-40.6173.3-77.1-179.3-8.700110.9S317 K318 S323 R324S317-Q321 PolarHBondContact O-N 2.97Å; K318-Q321 PolarHBondContact O-N 2.9Å; Q321-S323 PolarHBondContact O-N 3.32Å; Q321-R324 PolarHBondContact O-N 3.44Å; Q321-R324 VanDerWaalsContact O-N 3.13Å
322D55Low59.4Low130 Ų130122.3 Ų122.370%0.69564%0.639SS**Hα-helixtrans-65.1-25.8175.1-74.5-22.1000112.7K318K318-D322 PolarHBondContact O-N 2.74Å
323S49.9Very low57.2Low79 Ų79123.8 Ų123.855%0.55265%0.654SS**THydrogen-bonded Turntrans-87.3-7.1175.140.90000114.8L319 T320 Q321L319-S323 PolarHBondContact O-N 3.15Å; L319-S323 PolarHBondContact O-OG 3.43Å; T320-S323 VanDerWaalsContact CA-OG 3.27Å; T320-S323 WeakPolarHBondContact CA-OG 3.05Å; T320-S323 PolarHBondContact O-OG 2.86Å; Q321-S323 PolarHBondContact O-N 3.32Å
324R52Low55.1Low229 Ų229125.8 Ų125.886%0.86467%0.667SS**SBendtrans-98.6-1.4173.7-77.8-176.1176.7172.51.4114.2T320 Q321T320-R324 PolarHBondContact O-N 3.24Å; Q321-R324 PolarHBondContact O-N 3.44Å; Q321-R324 VanDerWaalsContact O-N 3.13Å
325M43.3Very low53.3Low160 Ų160126 Ų12679%0.78868%0.679SS**  trans-106.562.1165.7-82.4-166.4168.800110.7S327M325-S327 PolarHBondContact O-N 3.27Å
326E36.1Very low51.6Low193 Ų193127 Ų12790%0.90269%0.69SS**  trans-74.283.6160.4-85.9-172.2158.700109.4
327S36.4Very low50Low95 Ų95127.3 Ų127.366%0.66469%0.694SS**SBendtrans-138.1140.8149.751.60000108.2M325 I329M325-S327 PolarHBondContact O-N 3.27Å; S327-I329 PolarHBondContact O-N 3.08Å
328P39.1Very low49.1Very low122 Ų122130 Ų13079%0.79270%0.703SS**  trans-78.5118.1-150.3-12.228.4000113.6
329I42.1Very low48.6Very low138 Ų138127.2 Ų127.271%0.70871%0.705SS**  trans61.3121.9140.9-52.8170.8000116S327S327-I329 PolarHBondContact O-N 3.08Å
330P37.7Very low48.5Very low121 Ų121129.2 Ų129.279%0.78671%0.711SS**  -130.4132.273.81113.1000116.3L332P330-L332 PolarHBondContact O-N 3.21Å
331I36.4Very low48.6Very low153 Ų153128.6 Ų128.679%0.78571%0.707SS**  trans-51.6121.3170-62.2155.5000110.5
332L42Very low49.2Very low158 Ų158126.4 Ų126.483%0.82770%0.697SS**  trans-114.3142.3161.1-93.4148.3000108.5P330P330-L332 PolarHBondContact O-N 3.21Å
333P42.4Very low50.2Low105 Ų105127.4 Ų127.468%0.68270%0.695SS**  trans-83.2133.2-147.9-6.324.4000112.4
334L44Very low51.6Low153 Ų153129.6 Ų129.680%0.80170%0.7SS**  trans-58.6149.1155.2-84.498.6000109T336L334-T336 PolarHBondContact O-N 2.87Å
335P48.9Very low52.8Low123 Ų123123 Ų12380%0.79968%0.681SS**  trans-54.7112.9170.8-14.827.7000107.3
336T46.6Very low54.6Low114 Ų114123 Ų12370%0.69967%0.672SS**  trans-51.8128.9-17844.30000109L334 D338L334-T336 PolarHBondContact O-N 2.87Å; T336-D338 PolarHBondContact O-N 3.26Å
337P50Low56.8Low82 Ų82120.2 Ų120.253%0.53266%0.661SS.*  trans-56.1131.516126.3-30.1000106.1A339P337-A339 PolarHBondContact O-N 3.25Å
338D59.2Low58.9Low116 Ų116122.3 Ų122.362%0.6266%0.658SS**  trans-41.9136.2-178.3-72.4-46.8000110.3T336 E340 T341 E342T336-D338 PolarHBondContact O-N 3.26Å; D338-E340 CarbonylContact O-C 3.56Å; D338-E340 PolarHBondContact O-N 3.01Å; D338-T341 WeakPolarHBondContact O-CA 3.41Å; D338-T341 WeakPolarHBondContact O-CB 3.37Å; D338-T341 PolarHBondContact O-N 3.05Å; D338-E342 PolarHBondContact O-N 2.82Å
339A65.4Low61Low73 Ų73121.1 Ų121.160%0.60365%0.645SS**Hα-helixtrans-54.1-20.1-178.800000112.9P337 K343P337-A339 PolarHBondContact O-N 3.25Å; A339-K343 WeakPolarHBondContact O-CB 3.43Å; A339-K343 VanDerWaalsContact O-CG 3.29Å; A339-K343 WeakPolarHBondContact O-CG 2.77Å; A339-K343 PolarHBondContact O-N 3.34Å; A339-K343 VanDerWaalsContact O-N 3.17Å
340E68.2Low63.1Low163 Ų163120.3 Ų120.376%0.76264%0.638SS**Hα-helixtrans-69.8-41.9170.1-63.3-165.7149.300113.1D338 K343 L344D338-E340 CarbonylContact O-C 3.56Å; D338-E340 PolarHBondContact O-N 3.01Å; E340-K343 PolarHBondContact O-N 3.42Å; E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.03Å; E340-L344 PolarHBondContact O-N 3.03Å
341T67.1Low65.3Low57 Ų57120.5 Ų120.535%0.3563%0.628SS.*Hα-helixtrans-65.1-43.5178.4-50.10000110.8D338 L344 I345D338-T341 WeakPolarHBondContact O-CA 3.41Å; D338-T341 WeakPolarHBondContact O-CB 3.37Å; D338-T341 PolarHBondContact O-N 3.05Å; T341-L344 PolarHBondContact O-N 3.4Å; T341-I345 HydrophobicContact CG2-CD1 4.13Å; T341-I345 VanDerWaalsContact O-CG1 3.25Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.81Å
342E70.5Confident67.4Low91 Ų91117.5 Ų117.543%0.42561%0.614SS.*Hα-helixtrans-68.5-38.8177.9-152.8-168.3151.700111.8D338 L344 I345 R346D338-E342 PolarHBondContact O-N 2.82Å; E342-L344 VanDerWaalsContact C-N 3.35Å; E342-I345 PolarHBondContact O-N 3.31Å; E342-R346 WeakPolarHBondContact O-CG 3.41Å; E342-R346 PolarHBondContact O-N 3.05Å; E342-R346 IonicContact OE1-CZ 3.8Å; E342-R346 IonicContact OE1-NE 2.94Å; E342-R346 IonicContact OE1-NH2 3.77Å; E342-R346 PolarHBondContact OE1-NH2 2.91Å
343K76.9Confident69.5Low150 Ų150118.6 Ų118.665%0.65261%0.607SS**Hα-helixtrans-61-43.2170.9-83.9179.4178.3179.20111.9A339 E340 R346 M347A339-K343 WeakPolarHBondContact O-CB 3.43Å; A339-K343 VanDerWaalsContact O-CG 3.29Å; A339-K343 WeakPolarHBondContact O-CG 2.77Å; A339-K343 PolarHBondContact O-N 3.34Å; A339-K343 VanDerWaalsContact O-N 3.17Å; E340-K343 PolarHBondContact O-N 3.42Å; K343-R346 PolarHBondContact O-N 3.49Å; K343-M347 WeakPolarHBondContact O-CG 2.76Å; K343-M347 PolarHBondContact O-N 3.43Å
344L78.4Confident71.5Confident125 Ų125122.2 Ų122.265%0.65461%0.607SS**Hα-helixtrans-66.7-39.7-179-159.972.6000111.5E340 T341 E342 M347 K348E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.03Å; E340-L344 PolarHBondContact O-N 3.03Å; T341-L344 PolarHBondContact O-N 3.4Å; E342-L344 VanDerWaalsContact C-N 3.35Å; L344-M347 PolarHBondContact O-N 3.17Å; L344-K348 WeakPolarHBondContact O-CB 3.16Å; L344-K348 PolarHBondContact O-N 2.74Å
345I78.5Confident73.2Confident90 Ų90120.1 Ų120.146%0.46259%0.594SS.*Hα-helixtrans-62.2-48174-67.8164.3000110.1T341 E342 M347 K348 D349T341-I345 HydrophobicContact CG2-CD1 4.13Å; T341-I345 VanDerWaalsContact O-CG1 3.25Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.81Å; E342-I345 PolarHBondContact O-N 3.31Å; I345-M347 PolarHBondContact O-N 2.95Å; I345-K348 PolarHBondContact O-N 3Å; I345-D349 WeakPolarHBondContact O-CB 3.46Å; I345-D349 PolarHBondContact O-N 3.3Å
346R80.7Confident74.7Confident161 Ų161120 Ų12061%0.60858%0.583SS**Hα-helixtrans-61.8-42.7178.2-73.5-172.7-168.1-170.37.4113E342 K343 K348 D349 E350E342-R346 WeakPolarHBondContact O-CG 3.41Å; E342-R346 PolarHBondContact O-N 3.05Å; E342-R346 IonicContact OE1-CZ 3.8Å; E342-R346 IonicContact OE1-NE 2.94Å; E342-R346 IonicContact OE1-NH2 3.77Å; E342-R346 PolarHBondContact OE1-NH2 2.91Å; K343-R346 PolarHBondContact O-N 3.49Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 3.17Å; R346-D349 PolarHBondContact O-N 3.26Å; R346-E350 WeakPolarHBondContact O-CG 3.35Å; R346-E350 PolarHBondContact O-N 2.59Å
347M81.9Confident76.6Confident134 Ų134119.4 Ų119.466%0.6657%0.572SS**Hα-helixtrans-63-41.3176.9-73.6-1738100111.7K343 L344 I345 E350 E351K343-M347 WeakPolarHBondContact O-CG 2.76Å; K343-M347 PolarHBondContact O-N 3.43Å; L344-M347 PolarHBondContact O-N 3.17Å; I345-M347 PolarHBondContact O-N 2.95Å; M347-E350 PolarHBondContact O-N 2.97Å; M347-E351 WeakPolarHBondContact O-CB 3.13Å; M347-E351 PolarHBondContact O-N 3.09Å
348K80.7Confident78.2Confident139 Ų139121.4 Ų121.460%0.60458%0.576SS**Hα-helixtrans-70.1-37.4-179.7-144.8-177.4-173.5-177.60112.3L344 I345 R346 E351 L352L344-K348 WeakPolarHBondContact O-CB 3.16Å; L344-K348 PolarHBondContact O-N 2.74Å; I345-K348 PolarHBondContact O-N 3Å; R346-K348 VanDerWaalsContact C-N 3.33Å; R346-K348 PolarHBondContact O-N 3.17Å; K348-E351 PolarHBondContact O-N 2.92Å; K348-L352 WeakPolarHBondContact O-CB 3.01Å; K348-L352 WeakPolarHBondContact O-CG 3.39Å; K348-L352 PolarHBondContact O-N 3.2Å
349D83.7Confident79.3Confident98 Ų98120.9 Ų120.952%0.52457%0.573SS.*Hα-helixtrans-67.4-39.6175-81.1-9.8000112I345 R346 R353I345-D349 WeakPolarHBondContact O-CB 3.46Å; I345-D349 PolarHBondContact O-N 3.3Å; R346-D349 PolarHBondContact O-N 3.26Å; D349-R353 WeakPolarHBondContact O-CB 3.28Å; D349-R353 PolarHBondContact O-N 3.34Å
350E86.1Confident80.2Confident120 Ų120123.6 Ų123.656%0.56157%0.573SS**Hα-helixtrans-64.2-39.7172.9-78.4-176.7178.300112.3R346 M347 R353 R354R346-E350 WeakPolarHBondContact O-CG 3.35Å; R346-E350 PolarHBondContact O-N 2.59Å; M347-E350 PolarHBondContact O-N 2.97Å; E350-R353 PolarHBondContact O-N 2.99Å; E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3Å
351E83.1Confident81Confident125 Ų125123.7 Ų123.758%0.58457%0.566SS**Hα-helixtrans-67.4-42.7177.5-166.4174.8-167.400112M347 K348 R353 R354 M355M347-E351 WeakPolarHBondContact O-CB 3.13Å; M347-E351 PolarHBondContact O-N 3.09Å; K348-E351 PolarHBondContact O-N 2.92Å; E351-R353 VanDerWaalsContact C-N 3.32Å; E351-R353 PolarHBondContact O-N 3.34Å; E351-R354 PolarHBondContact O-N 2.77Å; E351-M355 WeakPolarHBondContact O-CB 3.49Å; E351-M355 PolarHBondContact O-N 3.48Å
352L80.5Confident81.6Confident91 Ų91126.6 Ų126.648%0.47658%0.577SS.*Hα-helixtrans-59.1-42.1173.2-86157.7000111.8K348 M355 Q356K348-L352 WeakPolarHBondContact O-CB 3.01Å; K348-L352 WeakPolarHBondContact O-CG 3.39Å; K348-L352 PolarHBondContact O-N 3.2Å; L352-M355 PolarHBondContact O-N 3.19Å; L352-Q356 WeakPolarHBondContact O-CB 3.2Å; L352-Q356 WeakPolarHBondContact O-CG 3.26Å; L352-Q356 PolarHBondContact O-N 3.46Å
353R85.6Confident81.9Confident181 Ų181129.4 Ų129.468%0.68359%0.588SS**Hα-helixtrans-63.7-45.3177.4-128.5176.4-176-178.11111.9D349 E350 E351 M355 Q356 E357D349-R353 WeakPolarHBondContact O-CB 3.28Å; D349-R353 PolarHBondContact O-N 3.34Å; E350-R353 PolarHBondContact O-N 2.99Å; E351-R353 VanDerWaalsContact C-N 3.32Å; E351-R353 PolarHBondContact O-N 3.34Å; R353-M355 VanDerWaalsContact C-N 3.34Å; R353-M355 PolarHBondContact O-N 3.38Å; R353-Q356 PolarHBondContact O-N 2.51Å; R353-E357 PolarHBondContact O-N 2.72Å
354R85.4Confident82.2Confident181 Ų181127.8 Ų127.868%0.68358%0.583SS**Hα-helixtrans-62.8-40.1176.1-72.5-178.3-173.4-177.85.9112.2E350 E351 E357 M358E350-R354 WeakPolarHBondContact O-CG 3.4Å; E350-R354 PolarHBondContact O-N 3Å; E351-R354 PolarHBondContact O-N 2.77Å; R354-E357 PolarHBondContact O-N 2.9Å; R354-M358 WeakPolarHBondContact O-CB 3.3Å; R354-M358 PolarHBondContact O-N 3.01Å
355M79.9Confident82.2Confident109 Ų109128.3 Ų128.354%0.53758%0.582SS.*Hα-helixtrans-67.1-40.2178-168.1178.2-67.100111.6E351 L352 R353 M358 L359E351-M355 WeakPolarHBondContact O-CB 3.49Å; E351-M355 PolarHBondContact O-N 3.48Å; L352-M355 PolarHBondContact O-N 3.19Å; R353-M355 VanDerWaalsContact C-N 3.34Å; R353-M355 PolarHBondContact O-N 3.38Å; M355-M358 PolarHBondContact O-N 2.89Å; M355-L359 HydrophobicContact CG-CD1 4.17Å; M355-L359 WeakPolarHBondContact O-CB 3.41Å; M355-L359 PolarHBondContact O-N 2.9Å
356Q80Confident81.9Confident121 Ų121131.2 Ų131.257%0.56560%0.595SS**Hα-helixtrans-63.5-42.9174.7-79.1-177.6-17.100112.5L352 R353 L359 Q360L352-Q356 WeakPolarHBondContact O-CB 3.2Å; L352-Q356 WeakPolarHBondContact O-CG 3.26Å; L352-Q356 PolarHBondContact O-N 3.46Å; R353-Q356 PolarHBondContact O-N 2.51Å; Q356-L359 PolarHBondContact O-N 3.1Å; Q356-Q360 WeakPolarHBondContact O-CG 3.45Å; Q356-Q360 PolarHBondContact O-N 2.88Å
357E87.8Confident81.4Confident101 Ų101131.1 Ų131.147%0.47260%0.602SS.*Hα-helixtrans-63.8-40.3175.4-74.7-178.7-178.300112.1R353 R354 Q360 R361R353-E357 PolarHBondContact O-N 2.72Å; R354-E357 PolarHBondContact O-N 2.9Å; E357-Q360 PolarHBondContact O-N 3.2Å; E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.35Å
358M82.6Confident80.8Confident123 Ų123131.7 Ų131.761%0.60661%0.607SS**Hα-helixtrans-65.3-43176.8-170.1-173.5-72.500111.8R354 M355 R361 M362R354-M358 WeakPolarHBondContact O-CB 3.3Å; R354-M358 PolarHBondContact O-N 3.01Å; M355-M358 PolarHBondContact O-N 2.89Å; M358-R361 PolarHBondContact O-N 3.01Å; M358-M362 PolarHBondContact O-N 2.67Å
359L82.7Confident79.3Confident106 Ų106135.9 Ų135.956%0.55563%0.629SS**Hα-helixtrans-62.6-39.5175.2-86.4157.6000112.3M355 Q356 K363M355-L359 HydrophobicContact CG-CD1 4.17Å; M355-L359 WeakPolarHBondContact O-CB 3.41Å; M355-L359 PolarHBondContact O-N 2.9Å; Q356-L359 PolarHBondContact O-N 3.1Å; L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 PolarHBondContact O-N 2.79Å
360Q84.7Confident79.1Confident130 Ų130137.8 Ų137.861%0.60763%0.634SS**Hα-helixtrans-66.3-42.9175.2-78.3-178.7-300112Q356 E357 K363 Q364Q356-Q360 WeakPolarHBondContact O-CG 3.45Å; Q356-Q360 PolarHBondContact O-N 2.88Å; E357-Q360 PolarHBondContact O-N 3.2Å; Q360-K363 PolarHBondContact O-N 2.84Å; Q360-Q364 PolarHBondContact O-N 3.12Å
361R83.9Confident78.8Confident164 Ų164138.7 Ų138.762%0.61964%0.638SS**Hα-helixtrans-63.1-42.6175.6-74.9-178.6-177.8164.95.1112.5E357 M358 K363 Q364 Q365E357-R361 WeakPolarHBondContact O-CG 3.45Å; E357-R361 PolarHBondContact O-N 3.35Å; M358-R361 PolarHBondContact O-N 3.01Å; R361-K363 VanDerWaalsContact C-N 3.35Å; R361-Q364 PolarHBondContact O-N 3.11Å; R361-Q365 WeakPolarHBondContact O-CG 3.45Å; R361-Q365 PolarHBondContact O-N 2.88Å
362M79.6Confident78.5Confident118 Ų118139.4 Ų139.458%0.58164%0.641SS**Hα-helixtrans-64.1-39175-80.6-165.6175.700112.2M358 Q365 M366M358-M362 PolarHBondContact O-N 2.67Å; M362-Q365 PolarHBondContact O-N 3.37Å; M362-M366 PolarHBondContact O-N 3.37Å; M362-M366 VanDerWaalsContact O-N 3.08Å
363K77.7Confident78.4Confident150 Ų150142.3 Ų142.365%0.65265%0.651SS**Hα-helixtrans-63.9-40.5174.7-94.5-171.8172.4-176.50112.8L359 Q360 R361 M366 Q367L359-K363 WeakPolarHBondContact O-CB 3.46Å; L359-K363 PolarHBondContact O-N 2.79Å; Q360-K363 PolarHBondContact O-N 2.84Å; R361-K363 VanDerWaalsContact C-N 3.35Å; K363-M366 PolarHBondContact O-N 2.79Å; K363-Q367 PolarHBondContact O-N 3.12Å
364Q82.4Confident77.9Confident117 Ų117139.9 Ų139.955%0.54765%0.649SS.*Hα-helixtrans-65.6-43.7175.9-78.8174-15.400111.5Q360 R361 M366 Q367 D368Q360-Q364 PolarHBondContact O-N 3.12Å; R361-Q364 PolarHBondContact O-N 3.11Å; Q364-M366 VanDerWaalsContact C-N 3.28Å; Q364-M366 PolarHBondContact O-N 2.85Å; Q364-Q367 PolarHBondContact O-N 2.98Å; Q364-D368 PolarHBondContact O-N 2.95Å
365Q79.6Confident77.5Confident136 Ų136137.1 Ų137.164%0.63665%0.647SS**Hα-helixtrans-64.5-29.3177.4-72-179.46.300113.9R361 M362R361-Q365 WeakPolarHBondContact O-CG 3.45Å; R361-Q365 PolarHBondContact O-N 2.88Å; M362-Q365 PolarHBondContact O-N 3.37Å
366M70.8Confident77.3Confident151 Ų151139.1 Ų139.174%0.74466%0.655SS**Hα-helixtrans-79.6-16.3172.3-99.2-155-61.200114M362 K363 Q364M362-M366 PolarHBondContact O-N 3.37Å; M362-M366 VanDerWaalsContact O-N 3.08Å; K363-M366 PolarHBondContact O-N 2.79Å; Q364-M366 VanDerWaalsContact C-N 3.28Å; Q364-M366 PolarHBondContact O-N 2.85Å
367Q71Confident77.1Confident158 Ų158140.5 Ų140.574%0.73866%0.661SS**Hα-helixtrans-91.8-22.5175.7-79.5-176.6-26.500112.7K363 Q364K363-Q367 PolarHBondContact O-N 3.12Å; Q364-Q367 PolarHBondContact O-N 2.98Å
368D67.8Low76.2Confident146 Ų146143.8 Ų143.878%0.78168%0.677SS**  trans-93.13.3177.9-71.3-28.6000113.9Q364Q364-D368 PolarHBondContact O-N 2.95Å
369Q51.2Low75.6Confident227 Ų227145.7 Ų145.7100%1.06168%0.684SS**  trans-111.90165.1-85.2-177.137.900109.6

Retrieved 369 of 369 residues in 74 ms (Link to these results)